*HEADER    TOXIN                                   09-OCT-03   1V28              
*TITLE     SOLUTION STRUCTURE OF PARALYTIC PEPTIDE OF THE WILD                   
*TITLE    2 SILKMOTH, ANTHERAEA YAMAMAI                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PARALYTIC PEPTIDE;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC CONSTRUCT                                   
*KEYWDS    PARALYTIC PEPTIDE, ANTHERAEA YAMAMAI, SINGLE BETA SHEET,              
*KEYWDS   2 ENF FAMILY                                                           
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    K.KAWAGUCHI, A.YING, K.SUZUKI, Y.KUMAKI, M.DEMURA, K.NITTA            
*REVDAT   1   26-OCT-04 1V28    0                                                

!!!!interresidue!!!!

assign (resid 2 and name HA )(resid 3 and name HN ) 2.5 0.7 0.2

assign (resid 3 and name HA )(resid 4 and name HN ) 2.5 0.7 0.2
assign (resid 3 and name HB2 )(resid 4 and name HN ) 4.0 2.2 1.0
assign (resid 3 and name HB1 )(resid 4 and name HN ) 4.0 2.2 1.0

assign (resid 4 and name HN )(resid 5 and name HN ) 4.0 2.2 1.0
assign (resid 4 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5
assign (resid 4 and name HB# )(resid 5 and name HN ) 4.0 2.2 1.0

assign (resid 5 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0
assign (resid 5 and name NA# )(resid 6 and name HN ) 3.0 1.2 1.0
assign (resid 5 and name HA# )(resid 13 and name HE ) 4.0 2.2 1.5

assign (resid 6 and name HA# )(resid 7 and name HN ) 2.5 0.7 0.7
assign (resid 6 and name HA# )(resid 13 and name HE ) 4.0 2.2 2.0

assign (resid 7 and name HA )(resid 8 and name HN ) 2.5 0.7 0.7
assign (resid 7 and name HB2 )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HB1 )(resid 8 and name HN ) 2.5 0.7 0.2
assign (resid 7 and name HB1 )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 11 and name HD# ) 4.0 2.2 2.0
assign (resid 7 and name HB1 )(resid 11 and name HD# ) 4.0 2.2 1.0
assign (resid 7 and name HB1 )(resid 11 and name HB1 ) 2.5 0.7 0.2
assign (resid 7 and name HB2 )(resid 11 and name HB1 ) 4.0 2.2 1.0
assign (resid 7 and name HB1 )(resid 11 and name HB2 ) 3.0 1.2 0.5
assign (resid 7 and name HB1 )(resid 11 and name HD# ) 4.0 2.2 1.0
assign (resid 7 and name HB1 )(resid 19 and name HB# ) 4.0 2.2 1.0

assign (resid 8 and name HN )(resid 11 and name HD# ) 4.0 2.2 1.5
assign (resid 8 and name HN )(resid 11 and name HB1 ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 11 and name HB2 ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.2
assign (resid 8 and name HB# )(resid 11 and name HE# ) 4.0 2.2 1.0 
assign (resid 8 and name HB# )(resid 11 and name HD# ) 3.0 1.2 1.0

assign (resid 9 and name HA )(resid 10 and name HN ) 3.0 1.2 0.5
assign (resid 9 and name HB )(resid 10 and name HN ) 4.0 2.2 1.0
assign (resid 9 and name HA )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 9 and name HG# )(resid 11 and name HN ) 4.0 2.2 1.0

assign (resid 10 and name HN )(resid 11 and name HN ) 3.0 1.2 0.5
assign (resid 10 and name HA2 )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 10 and name HA1 )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 11 and name HE# ) 4.0 2.2 1.5
assign (resid 8 and name HA )(resid 11 and name HD# ) 4.0 2.2 1.0

assign (resid 11 and name HB2 )(resid 12 and name HN ) 4.0 2.2 1.0
assign (resid 11 and name HA )(resid 12 and name HN ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 22 and name HG# ) 4.0 2.2 1.5
assign (resid 11 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HE# )(resid 21 and name HD1 ) 4.0 2.2 1.0
assign (resid 11 and name HE# )(resid 21 and name HD2 ) 3.0 1.2 1.0
assign (resid 11 and name HE# )(resid 21 and name HG2 ) 3.0 1.2 1.0
assign (resid 11 and name HE# )(resid 19 and name HB# ) 4.0 2.2 1.0
assign (resid 11 and name HE# )(resid 21 and name HB2 ) 4.0 2.2 1.0
assign (resid 11 and name HE# )(resid 21 and name HB1 ) 4.0 2.2 1.0
assign (resid 11 and name HD# )(resid 21 and name HB1 ) 4.0 2.2 1.5
assign (resid 11 and name HD# )(resid 21 and name HG2 ) 4.0 2.2 1.0 
assign (resid 11 and name HD# )(resid 19 and name HB# ) 3.0 1.2 1.0
assign (resid 11 and name HD# )(resid 21 and name HD1 ) 4.0 2.2 1.0
assign (resid 11 and name HD# )(resid 21 and name HD2 ) 4.0 2.2 1.0
assign (resid 11 and name HD# )(resid 21 and name HA ) 4.0 2.2 1.0
assign (resid 11 and name HD# )(resid 19 and name HA ) 4.0 2.2 1.5
assign (resid 11 and name HB2 )(resid 19 and name HA ) 4.0 2.2 1.0
assign (resid 11 and name HA )(resid 21 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HB1 )(resid 19 and name HB# ) 4.0 2.2 1.0
assign (resid 11 and name HE# )(resid 21 and name HG1 ) 4.0 2.2 1.0

assign (resid 12 and name HN )(resid 21 and name HA ) 4.0 2.2 2.0
assign (resid 12 and name HA )(resid 13 and name HN ) 2.5 0.7 0.2
assign (resid 12 and name HB2 )(resid 13 and name HN ) 4.0 2.2 1.5
assign (resid 12 and name HB1 )(resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HG2 )(resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HG1 )(resid 13 and name HN ) 4.0 2.2 1.5
assign (resid 12 and name HB1 )(resid 22 and name HG# ) 4.0 2.2 1.0
assign (resid 12 and name HB2 )(resid 22 and name HG# ) 4.0 2.2 1.0

assign (resid 13 and name HA )(resid 20 and name HN ) 4.0 2.2 1.5
assign (resid 13 and name HA )(resid 14 and name HN ) 2.5 0.7 0.2
assign (resid 13 and name HD# )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HG# )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HB# )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 19 and name HA ) 3.0 1.2 0.5
assign (resid 13 and name HD# )(resid 19 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HB# )(resid 19 and name HA ) 4.0 2.2 1.0

assign (resid 14 and name HG# )(resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG# )(resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG# )(resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG# )(resid 18 and name HB# ) 4.0 2.2 1.0
assign (resid 14 and name HG# )(resid 20 and name HB2 ) 4.0 2.2 1.0
assign (resid 14 and name HA )(resid 15 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HB )(resid 15 and name HN ) 4.0 2.2 1.0

assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HB# )(resid 16 and name HN ) 3.0 1.2 1.0
assign (resid 15 and name HA )(resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 15 and name HA)(resid 17 and name HN ) 4.0 2.2 1.0

assign (resid 16 and name HA )(resid 17 and name HN ) 3.0 1.2 0.5

assign (resid 17 and name HN )(resid 18 and name HN ) 2.5 0.7 0.2
assign (resid 17 and name HN )(resid 18 and name HB# ) 4.0 2.2 1.0
assign (resid 17 and name HA2 )(resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HA1 )(resid 18 and name HN ) 4.0 2.2 1.0

assign (resid 18 and name HA )(resid 19 and name HN ) 2.5 0.7 0.2
assign (resid 18 and name HB# )(resid 19 and name HN ) 2.5 0.7 0.7
assign (resid 18 and name HG# )(resid 19 and name HN ) 4.0 2.2 1.0

assign (resid 19 and name HA )(resid 20 and name HN) 4.0 2.2 1.0

assign (resid 20 and name HA )(resid 21 and name HD1 ) 4.0 2.2 1.0
assign (resid 20 and name HA )(resid 21 and name HD2 ) 4.0 2.2 1.0
assign (resid 20 and name HG# )(resid 21 and name HD1 ) 4.0 2.2 1.0
assign (resid 20 and name HB2 )(resid 21 and name HD1 ) 4.0 2.2 1.0

assign (resid 21 and name HB2 )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HB1 )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HA )(resid 22 and name HN ) 2.5 0.7 0.2
assign (resid 21 and name HB2)(resid 23 and name HN ) 4.0 2.2 1.0

assign (resid 22 and name HN )(resid 23 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HG# )(resid 23 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 22 and name HB )(resid 23 and name HN ) 4.0 2.2 1.0


!!!!intraresidue!!!!

assign (resid 3 and name HN )(resid 3 and name HB2 ) 4.0 2.2 1.0
assign (resid 3 and name HN )(resid 3 and name HB1 ) 4.0 2.2 1.0
assign (resid 3 and name HD# )(resid 3 and name HB2 ) 4.0 2.2 1.0
assign (resid 3 and name HD# )(resid 3 and name HB2 ) 4.0 2.2 1.0
assign (resid 3 and name HB2 )(resid 3 and name HE# ) 4.0 2.2 1.0
assign (resid 3 and name HE# )(resid 3 and name HB1 ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 3 and name HE# ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 3 and name HD# ) 4.0 2.2 1.0

assign (resid 7 and name HN )(resid 7 and name HB2 ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 7 and name HB1 ) 4.0 2.2 1.0

assign (resid 9 and name HN )(resid 9 and name HG# ) 2.5 0.7 0.7
assign (resid 9 and name HA )(resid 9 and name HG# ) 4.0 2.2 1.0

assign (resid 11 and name HN )(resid 11 and name HD# ) 4.0 2.2 1.0
assign (resid 11 and name HA )(resid 11 and name HE# ) 4.0 2.2 1.0
assign (resid 11 and name HA )(resid 11 and name HD# ) 3.0 1.2 1.0
assign (resid 11 and name HN )(resid 11 and name HB2 ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 11 and name HB1 ) 2.5 0.7 0.2
assign (resid 11 and name HB2 )(resid 11 and name HE# ) 4.0 2.2 1.0
assign (resid 11 and name HB1 )(resid 11 and name HE# ) 4.0 2.2 1.0
assign (resid 11 and name HB2 )(resid 11 and name HD# ) 2.5 0.7 0.7
assign (resid 11 and name HB1 )(resid 11 and name HD# ) 2.5 0.7 0.7
assign (resid 11 and name HB2 )(resid 11 and name HD# ) 3.0 1.2 1.0

assign (resid 12 and name HN )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HG1 ) 4.0 2.2 1.0

assign (resid 13 and name HN )(resid 13 and name HG# ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 13 and name HB# ) 2.5 0.7 0.7
assign (resid 13 and name HE )(resid 13 and name HG# ) 4.0 2.2 1.0
assign (resid 13 and name HE )(resid 13 and name HB# ) 3.0 1.2 1.0
assign (resid 13 and name HN )(resid 13 and name HD# ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 13 and name HE#) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 13 and name HG# ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 13 and name HD# ) 4.0 2.2 1.0
assign (resid 13 and name HD# )(resid 13 and name HB# ) 2.5 0.7 0.7

assign (resid 14 and name HN )(resid 14 and name HG# ) 3.0 1.2 0.5
assign (resid 14 and name HA )(resid 14 and name HG# ) 4.0 2.2 1.0

assign (resid 15 and name HN )(resid 15 and name HB# ) 2.5 0.7 0.2

assign (resid 16 and name HN )(resid 16 and name HB2 ) 3.0 1.2 1.0
assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0

assign (resid 18 and name HN )(resid 18 and name HG# ) 3.0 1.2 1.0
assign (resid 18 and name HN )(resid 18 and name HB# ) 2.5 0.7 0.7
assign (resid 18 and name HN )(resid 18 and name HD# ) 4.0 2.2 1.0
assign (resid 18 and name HE )(resid 18 and name HG# ) 4.0 2.2 1.0
assign (resid 18 and name HE )(resid 18 and name HB# ) 4.0 2.2 1.0
assign (resid 18 and name HE )(resid 18 and name HD# ) 3.0 1.2 1.0
assign (resid 18 and name HD# )(resid 18 and name HB# ) 3.0 1.2 1.0
assign (resid 18 and name HA )(resid 18 and name HG# ) 4.0 2.2 1.0

assign (resid 19 and name HN )(resid 19 and name HB# ) 2.5 0.7 0.2

assign (resid 20 and name HN )(resid 20 and name HB2 ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 20 and name HB1 ) 4.0 2.2 1.0
assign (resid 20 and name HB1 )(resid 20 and name HE# ) 4.0 2.2 1.0

assign (resid 22 and name HN )(resid 22 and name HG# ) 4.0 2.2 1.0
assign (resid 22 and name HA )(resid 22 and name HG# ) 3.0 1.2 1.0

assign (resid 23 and name HN )(resid 23 and name HB2 ) 4.0 2.2 1.0
assign (resid 23 and name HN )(resid 23 and name HB1 ) 4.0 2.2 1.0
assign (resid 23 and name HD# )(resid 23 and name HB2 ) 4.0 2.2 1.0
assign (resid 23 and name HD# )(resid 23 and name HB1 ) 4.0 2.2 1.0
assign (resid 23 and name HA )(resid 23 and name HD# ) 4.0 2.2 1.0


!!!!! H-BOND !!!!!
assign(resid 11 and name HN )(resid 8 and name O ) 2.0 0.5 0.5
assign(resid 11 and name N )(resid 8 and name O ) 3.0 0.5 0.5
assign(resid 22 and name HN )(resid 10 and name O ) 2.0 0.5 0.5
assign(resid 22 and name N )(resid 10 and name O ) 3.0 0.5 0.5
assign(resid 12 and name HN )(resid 20 and name O ) 2.0 0.5 0.5
assign(resid 12 and name N )(resid 20 and name O ) 3.0 0.5 0.5
assign(resid 20 and name HN )(resid 12 and name O ) 2.0 0.5 0.5
assign(resid 20 and name N )(resid 12 and name O ) 3.0 0.5 0.5
assign(resid 14 and name HN )(resid 18 and name O ) 2.0 0.5 0.5
assign(resid 14 and name N )(resid 18 and name O ) 3.0 0.5 0.5
assign(resid 18 and name HN )(resid 14 and name O ) 2.0 0.5 0.5
assign(resid 18 and name N )(resid 14 and name O ) 3.0 0.5 0.5


set message=off echo=off end
restraints dihedral reset

!!!! Phi angle !!!!


!! A8
assign (resid 7 and name  C) (resid 8 and name N)
       (resid 8 and name CA) (resid 8 and name C) 1.0 -65.0 35.0 2
!! T9
assign (resid 8 and name  C) (resid 9 and name N)
       (resid 9 and name CA) (resid 9 and name C) 1.0 -65.0 25.0 2
!! G10
assign (resid 9 and name  C) (resid 10 and name N)
       (resid 10 and name CA) (resid 10 and name C) 1.0 -65.0 35.0 2 
!! F11
assign (resid 10 and name  C) (resid 11 and name N)
       (resid 11 and name CA) (resid 11 and name C) 1.0 -120.0 20.0 2 
!! M12
assign (resid 11 and name  C) (resid 12 and name N)
       (resid 12 and name CA) (resid 12 and name C) 1.0 -120.0 20.0 2 
!! T14
assign (resid 13 and name  C) (resid 14 and name N)
       (resid 14 and name CA) (resid 14 and name C) 1.0 -120.0 30.0 2 
!! A15
assign (resid 14 and name  C) (resid 15 and name N)
       (resid 15 and name CA) (resid 15 and name C) 1.0 -65.0 25.0 2
!! D16
assign (resid 15 and name  C) (resid 16 and name N)
       (resid 16 and name CA) (resid 16 and name C) 1.0 -120.0 50.0 2
!! R18
assign (resid 17 and name  C) (resid 18 and name N)
       (resid 18 and name CA) (resid 18 and name C) 1.0 -120.0 50.0 2  
!! C19
assign (resid 18 and name  C) (resid 19 and name N)
       (resid 19 and name CA) (resid 19 and name C) 1.0 -120.0 30.0 2  
!! K20
assign (resid 19 and name  C) (resid 20 and name N)
       (resid 20 and name CA) (resid 20 and name C) 1.0 -120.0 30.0 2   
!! F23
assign (resid 22 and name  C) (resid 23 and name N)
       (resid 23 and name CA) (resid 23 and name C) 1.0 -120.0 50.0 2  

end

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1   4.263  12.155  10.040
    2   2H    GLU   1          2HT       GLU   1   4.017  13.831   9.910
    3   3H    GLU   1          3HT       GLU   1   4.003  13.083  11.436
    4    HA   GLU   1           HA       GLU   1   6.147  14.336  10.416
    5   1HB   GLU   1          2HB       GLU   1   7.311  13.041  12.215
    6   2HB   GLU   1          1HB       GLU   1   5.730  13.633  12.726
    7   1HG   GLU   1          2HG       GLU   1   5.483  11.449  13.390
    8   2HG   GLU   1          1HG       GLU   1   4.981  11.257  11.709
    9    H    ASN   2           H        ASN   2   5.169  12.388   8.346
   10    HA   ASN   2           HA       ASN   2   7.702  11.577   7.269
   11   1HB   ASN   2          2HB       ASN   2   6.521   9.912   9.299
   12   2HB   ASN   2          1HB       ASN   2   6.533   9.031   7.770
   13   1HD2  ASN   2          1HD2      ASN   2   8.642   8.645   6.739
   14   2HD2  ASN   2          2HD2      ASN   2  10.083   8.789   7.625
   15    H    PHE   3           H        PHE   3   6.994  12.095   5.202
   16    HA   PHE   3           HA       PHE   3   5.062  10.306   3.913
   17   1HB   PHE   3          2HB       PHE   3   3.735  12.062   5.180
   18   2HB   PHE   3          1HB       PHE   3   4.452  13.269   4.113
   19    HD1  PHE   3           1HD      PHE   3   3.386  13.781   2.099
   20    HD2  PHE   3           2HD      PHE   3   2.632   9.991   3.973
   21    HE1  PHE   3           1HE      PHE   3   1.688  13.264   0.368
   22    HE2  PHE   3           2HE      PHE   3   0.934   9.473   2.242
   23    HZ   PHE   3           HZ       PHE   3   0.461  11.110   0.440
   24    H    ALA   4           H        ALA   4   6.126   9.927   2.010
   25    HA   ALA   4           HA       ALA   4   7.284  12.274   0.551
   26   1HB   ALA   4          1HB       ALA   4   8.624   9.628   0.349
   27   2HB   ALA   4          2HB       ALA   4   8.757  10.442   1.907
   28   3HB   ALA   4          3HB       ALA   4   9.333  11.240   0.443
   29    H    GLY   5           H        GLY   5   4.844  10.240   0.407
   30   1HA   GLY   5          2HA       GLY   5   3.624   9.204  -1.310
   31   2HA   GLY   5          1HA       GLY   5   4.435  10.346  -2.382
   32    H    GLY   6           H        GLY   6   4.715   8.775  -4.045
   33   1HA   GLY   6          2HA       GLY   6   6.401   7.431  -5.124
   34   2HA   GLY   6          1HA       GLY   6   6.983   6.934  -3.534
   35    H    CYS   7           H        CYS   7   3.644   6.797  -3.522
   36    HA   CYS   7           HA       CYS   7   3.729   3.845  -3.995
   37   1HB   CYS   7          2HB       CYS   7   1.853   5.657  -2.443
   38   2HB   CYS   7          1HB       CYS   7   1.673   3.908  -2.565
   39    H    ALA   8           H        ALA   8   1.405   3.048  -4.718
   40    HA   ALA   8           HA       ALA   8   0.778   4.492  -7.225
   41   1HB   ALA   8          1HB       ALA   8   0.800   1.800  -6.225
   42   2HB   ALA   8          2HB       ALA   8   0.575   2.345  -7.886
   43   3HB   ALA   8          3HB       ALA   8  -0.819   2.168  -6.821
   44    H    THR   9           H        THR   9  -1.847   3.967  -7.635
   45    HA   THR   9           HA       THR   9  -3.330   5.988  -6.512
   46    HB   THR   9           HB       THR   9  -4.300   4.764  -8.259
   47    HG1  THR   9           1HG      THR   9  -6.130   4.905  -7.280
   48   1HG2  THR   9          1HG2      THR   9  -3.496   2.374  -6.631
   49   2HG2  THR   9          2HG2      THR   9  -3.167   2.729  -8.326
   50   3HG2  THR   9          3HG2      THR   9  -4.780   2.215  -7.829
   51    H    GLY  10           H        GLY  10  -4.735   3.012  -5.390
   52   1HA   GLY  10          2HA       GLY  10  -4.785   4.100  -2.653
   53   2HA   GLY  10          1HA       GLY  10  -5.680   2.691  -3.224
   54    H    PHE  11           H        PHE  11  -2.194   3.551  -3.095
   55    HA   PHE  11           HA       PHE  11  -1.560   0.818  -2.189
   56   1HB   PHE  11          2HB       PHE  11  -0.414   3.087  -3.664
   57   2HB   PHE  11          1HB       PHE  11   0.703   2.324  -2.580
   58    HD1  PHE  11           1HD      PHE  11  -1.985   1.188  -4.957
   59    HD2  PHE  11           2HD      PHE  11   2.049   0.674  -3.577
   60    HE1  PHE  11           1HE      PHE  11  -1.623  -0.586  -6.647
   61    HE2  PHE  11           2HE      PHE  11   2.401  -1.106  -5.257
   62    HZ   PHE  11           HZ       PHE  11   0.568  -1.730  -6.801
   63    H    MET  12           H        MET  12  -1.388   0.589   0.050
   64    HA   MET  12           HA       MET  12  -0.879   3.008   1.709
   65   1HB   MET  12          2HB       MET  12  -2.720   1.084   1.921
   66   2HB   MET  12          1HB       MET  12  -1.426   0.280   2.810
   67   1HG   MET  12          2HG       MET  12  -2.266   3.121   3.411
   68   2HG   MET  12          1HG       MET  12  -3.010   1.730   4.202
   69   1HE   MET  12          1HE       MET  12  -1.132   3.967   6.188
   70   2HE   MET  12          2HE       MET  12  -1.111   4.337   4.466
   71   3HE   MET  12          3HE       MET  12   0.406   4.070   5.323
   72    H    ARG  13           H        ARG  13   1.115   3.337   2.588
   73    HA   ARG  13           HA       ARG  13   3.405   1.795   2.023
   74   1HB   ARG  13          2HB       ARG  13   2.851   4.190   3.143
   75   2HB   ARG  13          1HB       ARG  13   3.270   3.280   4.595
   76   1HG   ARG  13          2HG       ARG  13   5.307   4.256   3.762
   77   2HG   ARG  13          1HG       ARG  13   5.372   2.531   3.398
   78   1HD   ARG  13          2HD       ARG  13   5.671   3.059   1.216
   79   2HD   ARG  13          1HD       ARG  13   4.051   3.783   1.208
   80    HE   ARG  13           HE       ARG  13   5.140   5.872   1.200
   81   1HH1  ARG  13          1HH1      ARG  13   7.783   4.205   0.911
   82   2HH1  ARG  13          2HH1      ARG  13   8.739   4.970   2.136
   83   1HH2  ARG  13          1HH2      ARG  13   6.042   6.569   3.615
   84   2HH2  ARG  13          2HH2      ARG  13   7.755   6.309   3.666
   85    H    THR  14           H        THR  14   3.938  -0.230   2.735
   86    HA   THR  14           HA       THR  14   2.560  -1.380   5.087
   87    HB   THR  14           HB       THR  14   4.043  -3.376   4.229
   88    HG1  THR  14           1HG      THR  14   5.369  -2.651   2.769
   89   1HG2  THR  14          1HG2      THR  14   2.389  -3.787   2.401
   90   2HG2  THR  14          2HG2      THR  14   1.817  -2.131   2.596
   91   3HG2  THR  14          3HG2      THR  14   1.633  -3.288   3.914
   92    H    ALA  15           H        ALA  15   3.680  -2.087   6.961
   93    HA   ALA  15           HA       ALA  15   5.672  -0.595   8.127
   94   1HB   ALA  15          1HB       ALA  15   5.854  -2.383   9.661
   95   2HB   ALA  15          2HB       ALA  15   5.622  -3.598   8.403
   96   3HB   ALA  15          3HB       ALA  15   4.259  -2.620   8.947
   97    H    ASP  16           H        ASP  16   6.117  -3.059   5.658
   98    HA   ASP  16           HA       ASP  16   8.967  -3.400   5.997
   99   1HB   ASP  16          2HB       ASP  16   7.081  -3.805   3.653
  100   2HB   ASP  16          1HB       ASP  16   8.736  -4.414   3.717
  101    H    GLY  17           H        GLY  17   7.193  -0.727   5.010
  102   1HA   GLY  17          2HA       GLY  17   8.029   1.355   4.245
  103   2HA   GLY  17          1HA       GLY  17   9.595   0.589   3.969
  104    H    ARG  18           H        ARG  18   6.476  -0.533   2.708
  105    HA   ARG  18           HA       ARG  18   7.407   0.227  -0.042
  106   1HB   ARG  18          2HB       ARG  18   6.644  -2.410   1.146
  107   2HB   ARG  18          1HB       ARG  18   6.221  -2.107  -0.539
  108   1HG   ARG  18          2HG       ARG  18   8.574  -1.539  -1.029
  109   2HG   ARG  18          1HG       ARG  18   8.998  -1.861   0.653
  110   1HD   ARG  18          2HD       ARG  18   9.506  -3.922  -0.337
  111   2HD   ARG  18          1HD       ARG  18   7.821  -4.198   0.151
  112    HE   ARG  18           HE       ARG  18   8.637  -3.347  -2.603
  113   1HH1  ARG  18          1HH1      ARG  18   7.376  -5.949  -1.041
  114   2HH1  ARG  18          2HH1      ARG  18   5.894  -6.034  -1.933
  115   1HH2  ARG  18          1HH2      ARG  18   6.338  -2.959  -3.475
  116   2HH2  ARG  18          2HH2      ARG  18   5.306  -4.340  -3.311
  117    H    CYS  19           H        CYS  19   5.606   0.239  -1.624
  118    HA   CYS  19           HA       CYS  19   3.102   1.280  -0.418
  119   1HB   CYS  19          2HB       CYS  19   4.239   1.209  -3.228
  120   2HB   CYS  19          1HB       CYS  19   2.818   2.124  -2.722
  121    H    LYS  20           H        LYS  20   1.403  -0.139  -0.235
  122    HA   LYS  20           HA       LYS  20   1.159  -2.321  -2.283
  123   1HB   LYS  20          2HB       LYS  20   1.313  -2.330   0.658
  124   2HB   LYS  20          1HB       LYS  20  -0.035  -3.273   0.019
  125   1HG   LYS  20          2HG       LYS  20   2.052  -3.959  -1.667
  126   2HG   LYS  20          1HG       LYS  20   2.842  -3.824  -0.096
  127   1HD   LYS  20          2HD       LYS  20   1.034  -5.289   0.862
  128   2HD   LYS  20          1HD       LYS  20   0.432  -5.530  -0.779
  129   1HE   LYS  20          2HE       LYS  20   3.209  -6.256   0.225
  130   2HE   LYS  20          1HE       LYS  20   1.916  -7.392  -0.211
  131   1HZ   LYS  20          1HZ       LYS  20   2.895  -7.260  -2.231
  132   2HZ   LYS  20          2HZ       LYS  20   3.586  -5.737  -1.932
  133   3HZ   LYS  20          3HZ       LYS  20   1.949  -5.859  -2.371
  134    HA   PRO  21           HA       PRO  21  -2.782  -0.388  -2.749
  135   1HB   PRO  21          2HB       PRO  21  -3.828  -2.198  -4.525
  136   2HB   PRO  21          1HB       PRO  21  -2.734  -0.883  -4.966
  137   1HG   PRO  21          2HG       PRO  21  -2.198  -3.753  -4.689
  138   2HG   PRO  21          1HG       PRO  21  -1.386  -2.559  -5.688
  139   1HD   PRO  21          2HD       PRO  21  -0.431  -3.632  -3.295
  140   2HD   PRO  21          1HD       PRO  21   0.183  -2.182  -4.104
  141    H    THR  22           H        THR  22  -4.399  -0.497  -1.369
  142    HA   THR  22           HA       THR  22  -4.941  -2.746   0.330
  143    HB   THR  22           HB       THR  22  -6.595  -1.270   1.234
  144    HG1  THR  22           1HG      THR  22  -6.489   0.301  -1.104
  145   1HG2  THR  22          1HG2      THR  22  -5.277   0.558   1.712
  146   2HG2  THR  22          2HG2      THR  22  -4.862   0.830   0.020
  147   3HG2  THR  22          3HG2      THR  22  -4.054  -0.445   0.932
  148    H    PHE  23           H        PHE  23  -6.045  -1.868  -2.838
  149    HA   PHE  23           HA       PHE  23  -8.406  -3.676  -2.674
  150   1HB   PHE  23          2HB       PHE  23  -7.775  -1.240  -3.949
  151   2HB   PHE  23          1HB       PHE  23  -7.878  -2.435  -5.243
  152    HD1  PHE  23           1HD      PHE  23  -9.966  -3.522  -5.794
  153    HD2  PHE  23           2HD      PHE  23  -9.708  -0.834  -2.453
  154    HE1  PHE  23           1HE      PHE  23 -12.442  -3.476  -5.638
  155    HE2  PHE  23           2HE      PHE  23 -12.182  -0.789  -2.297
  156    HZ   PHE  23           HZ       PHE  23 -13.550  -2.110  -3.890
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  14.869   2.872  -5.226
    2   2H    GLU   1          2HT       GLU   1  14.478   2.081  -3.775
    3   3H    GLU   1          3HT       GLU   1  15.077   1.194  -5.095
    4    HA   GLU   1           HA       GLU   1  16.909   1.407  -3.648
    5   1HB   GLU   1          2HB       GLU   1  17.182   1.907  -6.095
    6   2HB   GLU   1          1HB       GLU   1  17.008   3.621  -5.722
    7   1HG   GLU   1          2HG       GLU   1  18.928   3.107  -3.974
    8   2HG   GLU   1          1HG       GLU   1  19.258   1.759  -5.061
    9    H    ASN   2           H        ASN   2  14.997   2.737  -2.092
   10    HA   ASN   2           HA       ASN   2  14.812   4.423  -0.445
   11   1HB   ASN   2          2HB       ASN   2  17.146   3.388  -0.148
   12   2HB   ASN   2          1HB       ASN   2  17.762   4.807  -0.995
   13   1HD2  ASN   2          1HD2      ASN   2  18.829   5.689   0.899
   14   2HD2  ASN   2          2HD2      ASN   2  17.953   6.308   2.214
   15    H    PHE   3           H        PHE   3  14.986   6.824  -0.146
   16    HA   PHE   3           HA       PHE   3  14.896   9.042  -0.967
   17   1HB   PHE   3          2HB       PHE   3  17.193   7.985  -1.855
   18   2HB   PHE   3          1HB       PHE   3  16.393   8.201  -3.412
   19    HD1  PHE   3           1HD      PHE   3  17.354   9.990  -0.281
   20    HD2  PHE   3           2HD      PHE   3  16.220  10.344  -4.410
   21    HE1  PHE   3           1HE      PHE   3  17.880  12.413  -0.219
   22    HE2  PHE   3           2HE      PHE   3  16.747  12.766  -4.346
   23    HZ   PHE   3           HZ       PHE   3  17.576  13.800  -2.251
   24    H    ALA   4           H        ALA   4  12.558   7.976  -1.395
   25    HA   ALA   4           HA       ALA   4  11.575   9.065  -3.858
   26   1HB   ALA   4          1HB       ALA   4  12.231   7.389  -5.237
   27   2HB   ALA   4          2HB       ALA   4  11.018   6.392  -4.435
   28   3HB   ALA   4          3HB       ALA   4  12.691   6.365  -3.878
   29    H    GLY   5           H        GLY   5  10.485   9.522  -1.499
   30   1HA   GLY   5          2HA       GLY   5   8.611   7.578  -0.516
   31   2HA   GLY   5          1HA       GLY   5   8.555   9.308  -0.178
   32    H    GLY   6           H        GLY   6   6.905   6.827  -1.664
   33   1HA   GLY   6          2HA       GLY   6   4.788   8.409  -2.634
   34   2HA   GLY   6          1HA       GLY   6   5.861   8.127  -4.008
   35    H    CYS   7           H        CYS   7   3.168   7.081  -3.750
   36    HA   CYS   7           HA       CYS   7   3.813   4.168  -3.926
   37   1HB   CYS   7          2HB       CYS   7   1.689   5.542  -2.261
   38   2HB   CYS   7          1HB       CYS   7   1.640   3.819  -2.627
   39    H    ALA   8           H        ALA   8   1.515   3.081  -4.670
   40    HA   ALA   8           HA       ALA   8   0.861   4.417  -7.214
   41   1HB   ALA   8          1HB       ALA   8   0.767   2.242  -7.786
   42   2HB   ALA   8          2HB       ALA   8  -0.680   2.075  -6.795
   43   3HB   ALA   8          3HB       ALA   8   0.910   1.765  -6.096
   44    H    THR   9           H        THR   9  -1.738   3.808  -7.671
   45    HA   THR   9           HA       THR   9  -3.313   5.824  -6.691
   46    HB   THR   9           HB       THR   9  -4.235   4.468  -8.362
   47    HG1  THR   9           1HG      THR   9  -6.022   4.713  -7.275
   48   1HG2  THR   9          1HG2      THR   9  -3.256   2.424  -8.489
   49   2HG2  THR   9          2HG2      THR   9  -4.612   1.892  -7.495
   50   3HG2  THR   9          3HG2      THR   9  -3.074   2.301  -6.739
   51    H    GLY  10           H        GLY  10  -4.630   2.871  -5.408
   52   1HA   GLY  10          2HA       GLY  10  -4.713   4.127  -2.733
   53   2HA   GLY  10          1HA       GLY  10  -5.646   2.718  -3.241
   54    H    PHE  11           H        PHE  11  -2.143   3.486  -3.150
   55    HA   PHE  11           HA       PHE  11  -1.569   0.784  -2.131
   56   1HB   PHE  11          2HB       PHE  11  -0.366   2.997  -3.656
   57   2HB   PHE  11          1HB       PHE  11   0.726   2.211  -2.564
   58    HD1  PHE  11           1HD      PHE  11  -1.979   1.168  -4.958
   59    HD2  PHE  11           2HD      PHE  11   2.007   0.486  -3.513
   60    HE1  PHE  11           1HE      PHE  11  -1.661  -0.616  -6.646
   61    HE2  PHE  11           2HE      PHE  11   2.314  -1.302  -5.189
   62    HZ   PHE  11           HZ       PHE  11   0.483  -1.852  -6.764
   63    H    MET  12           H        MET  12  -1.429   0.652   0.130
   64    HA   MET  12           HA       MET  12  -0.824   3.123   1.678
   65   1HB   MET  12          2HB       MET  12  -2.805   1.851   2.282
   66   2HB   MET  12          1HB       MET  12  -1.862   0.365   2.395
   67   1HG   MET  12          2HG       MET  12  -0.554   2.227   4.063
   68   2HG   MET  12          1HG       MET  12  -2.276   2.407   4.400
   69   1HE   MET  12          1HE       MET  12  -3.307  -0.425   6.385
   70   2HE   MET  12          2HE       MET  12  -3.889   0.183   4.837
   71   3HE   MET  12          3HE       MET  12  -3.311   1.313   6.058
   72    H    ARG  13           H        ARG  13   1.235   3.421   2.394
   73    HA   ARG  13           HA       ARG  13   3.452   1.813   1.950
   74   1HB   ARG  13          2HB       ARG  13   2.696   3.795   4.089
   75   2HB   ARG  13          1HB       ARG  13   4.290   3.039   4.098
   76   1HG   ARG  13          2HG       ARG  13   3.700   3.897   1.425
   77   2HG   ARG  13          1HG       ARG  13   3.421   5.246   2.526
   78   1HD   ARG  13          2HD       ARG  13   5.814   3.993   3.402
   79   2HD   ARG  13          1HD       ARG  13   5.941   4.170   1.640
   80    HE   ARG  13           HE       ARG  13   4.881   6.588   2.425
   81   1HH1  ARG  13          1HH2      ARG  13   7.694   6.347   1.410
   82   2HH1  ARG  13          2HH2      ARG  13   8.611   6.981   2.736
   83   1HH2  ARG  13          1HH1      ARG  13   6.014   6.692   5.015
   84   2HH2  ARG  13          2HH1      ARG  13   7.660   7.178   4.777
   85    H    THR  14           H        THR  14   4.241  -0.072   2.841
   86    HA   THR  14           HA       THR  14   2.688  -1.303   5.072
   87    HB   THR  14           HB       THR  14   4.274  -3.267   4.192
   88    HG1  THR  14           1HG      THR  14   3.996  -1.683   1.880
   89   1HG2  THR  14          1HG2      THR  14   2.099  -2.416   2.311
   90   2HG2  THR  14          2HG2      THR  14   1.689  -2.807   3.981
   91   3HG2  THR  14          3HG2      THR  14   2.454  -4.020   2.954
   92    H    ALA  15           H        ALA  15   3.811  -2.143   6.919
   93    HA   ALA  15           HA       ALA  15   5.768  -0.646   8.167
   94   1HB   ALA  15          1HB       ALA  15   5.868  -3.624   8.447
   95   2HB   ALA  15          2HB       ALA  15   4.339  -2.814   8.785
   96   3HB   ALA  15          3HB       ALA  15   5.785  -2.387   9.701
   97    H    ASP  16           H        ASP  16   6.262  -3.097   5.683
   98    HA   ASP  16           HA       ASP  16   9.121  -3.374   6.042
   99   1HB   ASP  16          2HB       ASP  16   7.211  -4.738   4.746
  100   2HB   ASP  16          1HB       ASP  16   7.784  -3.758   3.395
  101    H    GLY  17           H        GLY  17   7.286  -0.755   5.021
  102   1HA   GLY  17          2HA       GLY  17   8.073   1.333   4.225
  103   2HA   GLY  17          1HA       GLY  17   9.653   0.598   3.944
  104    H    ARG  18           H        ARG  18   6.506  -0.527   2.753
  105    HA   ARG  18           HA       ARG  18   7.410   0.129  -0.030
  106   1HB   ARG  18          2HB       ARG  18   6.463  -2.468   1.183
  107   2HB   ARG  18          1HB       ARG  18   6.382  -2.184  -0.555
  108   1HG   ARG  18          2HG       ARG  18   8.812  -1.700  -0.580
  109   2HG   ARG  18          1HG       ARG  18   8.886  -2.031   1.152
  110   1HD   ARG  18          2HD       ARG  18   9.527  -4.095   0.172
  111   2HD   ARG  18          1HD       ARG  18   7.799  -4.330   0.505
  112    HE   ARG  18           HE       ARG  18   7.387  -4.245  -1.826
  113   1HH1  ARG  18          1HH2      ARG  18  10.525  -4.855  -1.687
  114   2HH1  ARG  18          2HH2      ARG  18  11.031  -3.889  -3.032
  115   1HH2  ARG  18          1HH1      ARG  18   8.016  -2.194  -3.290
  116   2HH2  ARG  18          2HH1      ARG  18   9.609  -2.384  -3.943
  117    H    CYS  19           H        CYS  19   5.585   0.144  -1.588
  118    HA   CYS  19           HA       CYS  19   3.104   1.210  -0.363
  119   1HB   CYS  19          2HB       CYS  19   4.206   1.059  -3.184
  120   2HB   CYS  19          1HB       CYS  19   2.760   1.951  -2.710
  121    H    LYS  20           H        LYS  20   1.261  -0.038  -0.293
  122    HA   LYS  20           HA       LYS  20   1.043  -2.355  -2.180
  123   1HB   LYS  20          2HB       LYS  20   1.791  -3.198  -0.034
  124   2HB   LYS  20          1HB       LYS  20   0.569  -2.250   0.813
  125   1HG   LYS  20          2HG       LYS  20  -0.684  -3.874  -1.219
  126   2HG   LYS  20          1HG       LYS  20   0.302  -4.886  -0.163
  127   1HD   LYS  20          2HD       LYS  20  -1.710  -2.852   0.838
  128   2HD   LYS  20          1HD       LYS  20  -2.053  -4.573   0.660
  129   1HE   LYS  20          2HE       LYS  20   0.301  -3.587   2.293
  130   2HE   LYS  20          1HE       LYS  20  -1.310  -3.819   3.002
  131   1HZ   LYS  20          1HZ       LYS  20  -0.106  -5.865   3.198
  132   2HZ   LYS  20          2HZ       LYS  20   0.309  -5.844   1.550
  133   3HZ   LYS  20          3HZ       LYS  20  -1.308  -6.077   2.019
  134    HA   PRO  21           HA       PRO  21  -2.860  -0.374  -2.746
  135   1HB   PRO  21          2HB       PRO  21  -3.903  -2.205  -4.500
  136   2HB   PRO  21          1HB       PRO  21  -2.778  -0.921  -4.952
  137   1HG   PRO  21          2HG       PRO  21  -2.301  -3.793  -4.606
  138   2HG   PRO  21          1HG       PRO  21  -1.442  -2.633  -5.608
  139   1HD   PRO  21          2HD       PRO  21  -0.574  -3.678  -3.165
  140   2HD   PRO  21          1HD       PRO  21   0.102  -2.272  -4.001
  141    H    THR  22           H        THR  22  -4.801  -0.513  -1.762
  142    HA   THR  22           HA       THR  22  -5.289  -2.689   0.117
  143    HB   THR  22           HB       THR  22  -6.962  -1.194   0.924
  144    HG1  THR  22           1HG      THR  22  -6.858   0.284  -1.472
  145   1HG2  THR  22          1HG2      THR  22  -5.577   0.528   1.438
  146   2HG2  THR  22          2HG2      THR  22  -5.408   1.002  -0.251
  147   3HG2  THR  22          3HG2      THR  22  -4.397  -0.282   0.409
  148    H    PHE  23           H        PHE  23  -5.874  -2.411  -3.159
  149    HA   PHE  23           HA       PHE  23  -8.338  -4.116  -2.980
  150   1HB   PHE  23          2HB       PHE  23  -7.588  -1.732  -4.521
  151   2HB   PHE  23          1HB       PHE  23  -8.252  -3.024  -5.522
  152    HD1  PHE  23           1HD      PHE  23  -8.892  -1.158  -2.339
  153    HD2  PHE  23           2HD      PHE  23 -10.573  -3.345  -5.632
  154    HE1  PHE  23           1HE      PHE  23 -11.173  -0.605  -1.540
  155    HE2  PHE  23           2HE      PHE  23 -12.856  -2.792  -4.833
  156    HZ   PHE  23           HZ       PHE  23 -13.155  -1.421  -2.787
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1  -7.940   7.186   7.835
    2   2H    GLU   1          2HT       GLU   1  -8.041   6.804   6.183
    3   3H    GLU   1          3HT       GLU   1  -9.406   7.391   7.007
    4    HA   GLU   1           HA       GLU   1  -8.187   9.050   5.542
    5   1HB   GLU   1          2HB       GLU   1  -9.855   9.760   7.081
    6   2HB   GLU   1          1HB       GLU   1  -8.860   9.338   8.475
    7   1HG   GLU   1          2HG       GLU   1  -7.471  11.230   6.775
    8   2HG   GLU   1          1HG       GLU   1  -9.051  11.861   7.246
    9    H    ASN   2           H        ASN   2  -5.938   8.082   5.252
   10    HA   ASN   2           HA       ASN   2  -4.001   9.377   7.147
   11   1HB   ASN   2          2HB       ASN   2  -4.107   6.934   7.411
   12   2HB   ASN   2          1HB       ASN   2  -3.837   6.723   5.680
   13   1HD2  ASN   2          1HD2      ASN   2  -1.717   5.977   5.446
   14   2HD2  ASN   2          2HD2      ASN   2  -0.364   6.645   6.224
   15    H    PHE   3           H        PHE   3  -1.871   9.857   6.066
   16    HA   PHE   3           HA       PHE   3  -2.325  10.949   3.354
   17   1HB   PHE   3          2HB       PHE   3  -1.199  12.048   5.435
   18   2HB   PHE   3          1HB       PHE   3   0.209  11.086   4.986
   19    HD1  PHE   3           1HD      PHE   3   1.634  11.764   3.227
   20    HD2  PHE   3           2HD      PHE   3  -2.232  13.584   3.664
   21    HE1  PHE   3           1HE      PHE   3   2.221  13.428   1.484
   22    HE2  PHE   3           2HE      PHE   3  -1.645  15.248   1.921
   23    HZ   PHE   3           HZ       PHE   3   0.581  15.170   0.831
   24    H    ALA   4           H        ALA   4  -0.384  10.671   1.789
   25    HA   ALA   4           HA       ALA   4   0.878   7.973   2.020
   26   1HB   ALA   4          1HB       ALA   4   0.089   8.231  -0.650
   27   2HB   ALA   4          2HB       ALA   4  -1.286   8.846   0.267
   28   3HB   ALA   4          3HB       ALA   4  -0.686   7.216   0.566
   29    H    GLY   5           H        GLY   5   2.852   7.813   0.830
   30   1HA   GLY   5          2HA       GLY   5   3.929  10.442  -0.080
   31   2HA   GLY   5          1HA       GLY   5   4.914   9.081   0.460
   32    H    GLY   6           H        GLY   6   6.067   8.404  -1.291
   33   1HA   GLY   6          2HA       GLY   6   4.979   8.585  -3.997
   34   2HA   GLY   6          1HA       GLY   6   6.549   7.912  -3.555
   35    H    CYS   7           H        CYS   7   3.139   7.192  -3.962
   36    HA   CYS   7           HA       CYS   7   3.832   4.287  -4.032
   37   1HB   CYS   7          2HB       CYS   7   1.675   5.675  -2.417
   38   2HB   CYS   7          1HB       CYS   7   1.687   3.936  -2.704
   39    H    ALA   8           H        ALA   8   1.481   3.175  -4.671
   40    HA   ALA   8           HA       ALA   8   0.818   4.407  -7.276
   41   1HB   ALA   8          1HB       ALA   8  -0.650   2.026  -6.743
   42   2HB   ALA   8          2HB       ALA   8   0.980   1.796  -6.108
   43   3HB   ALA   8          3HB       ALA   8   0.745   2.220  -7.802
   44    H    THR   9           H        THR   9  -1.764   3.731  -7.706
   45    HA   THR   9           HA       THR   9  -3.385   5.727  -6.757
   46    HB   THR   9           HB       THR   9  -4.272   4.318  -8.403
   47    HG1  THR   9           1HG      THR   9  -6.111   3.323  -7.405
   48   1HG2  THR   9          1HG2      THR   9  -3.188   2.310  -8.454
   49   2HG2  THR   9          2HG2      THR   9  -4.603   1.756  -7.560
   50   3HG2  THR   9          3HG2      THR   9  -3.126   2.185  -6.696
   51    H    GLY  10           H        GLY  10  -4.642   2.776  -5.419
   52   1HA   GLY  10          2HA       GLY  10  -4.734   4.066  -2.760
   53   2HA   GLY  10          1HA       GLY  10  -5.637   2.630  -3.242
   54    H    PHE  11           H        PHE  11  -2.162   3.491  -3.182
   55    HA   PHE  11           HA       PHE  11  -1.493   0.815  -2.143
   56   1HB   PHE  11          2HB       PHE  11  -0.396   3.031  -3.730
   57   2HB   PHE  11          1HB       PHE  11   0.747   2.329  -2.630
   58    HD1  PHE  11           1HD      PHE  11  -1.968   1.042  -4.890
   59    HD2  PHE  11           2HD      PHE  11   2.109   0.680  -3.606
   60    HE1  PHE  11           1HE      PHE  11  -1.607  -0.783  -6.523
   61    HE2  PHE  11           2HE      PHE  11   2.464  -1.149  -5.225
   62    HZ   PHE  11           HZ       PHE  11   0.607  -1.881  -6.694
   63    H    MET  12           H        MET  12  -1.381   0.721   0.114
   64    HA   MET  12           HA       MET  12  -0.755   3.212   1.626
   65   1HB   MET  12          2HB       MET  12  -2.705   1.434   1.967
   66   2HB   MET  12          1HB       MET  12  -1.457   0.578   2.874
   67   1HG   MET  12          2HG       MET  12  -1.709   1.974   4.619
   68   2HG   MET  12          1HG       MET  12  -1.413   3.371   3.584
   69   1HE   MET  12          1HE       MET  12  -3.886   5.056   2.729
   70   2HE   MET  12          2HE       MET  12  -2.501   4.962   3.814
   71   3HE   MET  12          3HE       MET  12  -4.116   5.194   4.477
   72    H    ARG  13           H        ARG  13   1.259   3.482   2.492
   73    HA   ARG  13           HA       ARG  13   3.478   1.852   1.986
   74   1HB   ARG  13          2HB       ARG  13   2.740   3.900   4.057
   75   2HB   ARG  13          1HB       ARG  13   4.303   3.090   4.161
   76   1HG   ARG  13          2HG       ARG  13   3.725   3.939   1.440
   77   2HG   ARG  13          1HG       ARG  13   3.690   5.301   2.562
   78   1HD   ARG  13          2HD       ARG  13   5.921   4.165   3.478
   79   2HD   ARG  13          1HD       ARG  13   5.981   3.519   1.826
   80    HE   ARG  13           HE       ARG  13   5.321   6.354   1.902
   81   1HH1  ARG  13          1HH1      ARG  13   7.931   6.057   3.394
   82   2HH1  ARG  13          2HH1      ARG  13   9.086   6.209   2.113
   83   1HH2  ARG  13          1HH2      ARG  13   6.760   5.663  -0.402
   84   2HH2  ARG  13          2HH2      ARG  13   8.423   5.986  -0.038
   85    H    THR  14           H        THR  14   3.922  -0.199   2.672
   86    HA   THR  14           HA       THR  14   2.485  -1.326   4.999
   87    HB   THR  14           HB       THR  14   2.688  -2.555   2.869
   88    HG1  THR  14           1HG      THR  14   3.053  -3.505   5.169
   89   1HG2  THR  14          1HG2      THR  14   5.032  -3.440   2.324
   90   2HG2  THR  14          2HG2      THR  14   5.637  -2.183   3.405
   91   3HG2  THR  14          3HG2      THR  14   4.727  -1.743   1.959
   92    H    ALA  15           H        ALA  15   3.569  -2.157   6.849
   93    HA   ALA  15           HA       ALA  15   5.595  -0.754   8.080
   94   1HB   ALA  15          1HB       ALA  15   4.189  -2.550   9.061
   95   2HB   ALA  15          2HB       ALA  15   5.894  -2.786   9.440
   96   3HB   ALA  15          3HB       ALA  15   5.130  -3.752   8.178
   97    H    ASP  16           H        ASP  16   5.982  -3.175   5.557
   98    HA   ASP  16           HA       ASP  16   8.812  -3.634   5.924
   99   1HB   ASP  16          2HB       ASP  16   7.197  -5.088   4.689
  100   2HB   ASP  16          1HB       ASP  16   7.063  -3.839   3.450
  101    H    GLY  17           H        GLY  17   7.124  -0.883   4.953
  102   1HA   GLY  17          2HA       GLY  17   8.049   1.200   4.284
  103   2HA   GLY  17          1HA       GLY  17   9.594   0.391   4.010
  104    H    ARG  18           H        ARG  18   6.406  -0.460   2.680
  105    HA   ARG  18           HA       ARG  18   7.400   0.320  -0.034
  106   1HB   ARG  18          2HB       ARG  18   6.528  -2.364   1.010
  107   2HB   ARG  18          1HB       ARG  18   6.336  -1.976  -0.700
  108   1HG   ARG  18          2HG       ARG  18   8.964  -1.619   0.755
  109   2HG   ARG  18          1HG       ARG  18   8.529  -3.122  -0.061
  110   1HD   ARG  18          2HD       ARG  18   8.178  -1.828  -2.178
  111   2HD   ARG  18          1HD       ARG  18   8.765  -0.377  -1.342
  112    HE   ARG  18           HE       ARG  18  10.669  -2.396  -0.855
  113   1HH1  ARG  18          1HH1      ARG  18  10.067  -3.214  -3.660
  114   2HH1  ARG  18          2HH1      ARG  18  11.151  -2.221  -4.577
  115   1HH2  ARG  18          1HH2      ARG  18  11.753  -0.014  -1.971
  116   2HH2  ARG  18          2HH2      ARG  18  12.106  -0.409  -3.619
  117    H    CYS  19           H        CYS  19   5.625   0.427  -1.626
  118    HA   CYS  19           HA       CYS  19   3.123   1.438  -0.426
  119   1HB   CYS  19          2HB       CYS  19   4.241   1.289  -3.243
  120   2HB   CYS  19          1HB       CYS  19   2.797   2.187  -2.774
  121    H    LYS  20           H        LYS  20   1.509  -0.056  -0.081
  122    HA   LYS  20           HA       LYS  20   1.221  -2.296  -2.060
  123   1HB   LYS  20          2HB       LYS  20   2.049  -2.934   0.197
  124   2HB   LYS  20          1HB       LYS  20   0.608  -2.211   0.912
  125   1HG   LYS  20          2HG       LYS  20  -0.762  -3.777  -0.550
  126   2HG   LYS  20          1HG       LYS  20   0.749  -4.605  -0.933
  127   1HD   LYS  20          2HD       LYS  20   1.094  -5.256   1.322
  128   2HD   LYS  20          1HD       LYS  20  -0.102  -4.107   1.922
  129   1HE   LYS  20          2HE       LYS  20  -1.811  -5.458   0.502
  130   2HE   LYS  20          1HE       LYS  20  -0.567  -6.723   0.488
  131   1HZ   LYS  20          1HZ       LYS  20  -2.280  -6.469   2.482
  132   2HZ   LYS  20          2HZ       LYS  20  -1.084  -5.394   3.033
  133   3HZ   LYS  20          3HZ       LYS  20  -0.692  -7.017   2.718
  134    HA   PRO  21           HA       PRO  21  -2.737  -0.407  -2.626
  135   1HB   PRO  21          2HB       PRO  21  -3.760  -2.313  -4.312
  136   2HB   PRO  21          1HB       PRO  21  -2.690  -1.003  -4.820
  137   1HG   PRO  21          2HG       PRO  21  -2.099  -3.847  -4.390
  138   2HG   PRO  21          1HG       PRO  21  -1.327  -2.701  -5.471
  139   1HD   PRO  21          2HD       PRO  21  -0.294  -3.607  -3.055
  140   2HD   PRO  21          1HD       PRO  21   0.240  -2.162  -3.930
  141    H    THR  22           H        THR  22  -4.478  -0.502  -1.384
  142    HA   THR  22           HA       THR  22  -4.927  -2.524   0.565
  143    HB   THR  22           HB       THR  22  -6.863  -1.161   1.067
  144    HG1  THR  22           1HG      THR  22  -6.553   0.166  -1.398
  145   1HG2  THR  22          1HG2      THR  22  -5.074   0.882  -0.194
  146   2HG2  THR  22          2HG2      THR  22  -4.390  -0.172   1.043
  147   3HG2  THR  22          3HG2      THR  22  -5.773   0.853   1.425
  148    H    PHE  23           H        PHE  23  -7.512  -1.672  -1.690
  149    HA   PHE  23           HA       PHE  23  -8.385  -4.478  -1.801
  150   1HB   PHE  23          2HB       PHE  23  -9.873  -2.462  -1.563
  151   2HB   PHE  23          1HB       PHE  23  -9.422  -1.995  -3.204
  152    HD1  PHE  23           1HD      PHE  23  -9.917  -3.589  -5.117
  153    HD2  PHE  23           2HD      PHE  23 -11.525  -4.121  -1.170
  154    HE1  PHE  23           1HE      PHE  23 -11.647  -5.113  -6.028
  155    HE2  PHE  23           2HE      PHE  23 -13.257  -5.645  -2.081
  156    HZ   PHE  23           HZ       PHE  23 -13.318  -6.141  -4.510
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1   2.981  15.710   6.917
    2   2H    GLU   1          2HT       GLU   1   2.486  16.449   8.364
    3   3H    GLU   1          3HT       GLU   1   2.696  14.765   8.296
    4    HA   GLU   1           HA       GLU   1   4.678  16.864   8.636
    5   1HB   GLU   1          2HB       GLU   1   4.469  13.904   9.285
    6   2HB   GLU   1          1HB       GLU   1   5.653  15.025   9.960
    7   1HG   GLU   1          2HG       GLU   1   4.182  15.565  11.573
    8   2HG   GLU   1          1HG       GLU   1   3.097  16.205  10.337
    9    H    ASN   2           H        ASN   2   5.610  17.261   6.563
   10    HA   ASN   2           HA       ASN   2   6.937  16.805   4.655
   11   1HB   ASN   2          2HB       ASN   2   7.873  14.991   6.871
   12   2HB   ASN   2          1HB       ASN   2   8.663  14.938   5.293
   13   1HD2  ASN   2          1HD2      ASN   2   9.248  16.220   8.189
   14   2HD2  ASN   2          2HD2      ASN   2   9.899  17.729   7.763
   15    H    PHE   3           H        PHE   3   4.802  15.942   3.682
   16    HA   PHE   3           HA       PHE   3   4.357  13.077   3.561
   17   1HB   PHE   3          2HB       PHE   3   3.343  15.577   2.265
   18   2HB   PHE   3          1HB       PHE   3   2.969  14.038   1.491
   19    HD1  PHE   3           1HD      PHE   3   1.742  12.262   2.763
   20    HD2  PHE   3           2HD      PHE   3   2.308  16.223   4.327
   21    HE1  PHE   3           1HE      PHE   3  -0.050  11.862   4.429
   22    HE2  PHE   3           2HE      PHE   3   0.516  15.822   5.993
   23    HZ   PHE   3           HZ       PHE   3  -0.662  13.640   6.045
   24    H    ALA   4           H        ALA   4   6.068  11.899   2.679
   25    HA   ALA   4           HA       ALA   4   6.676  12.364  -0.184
   26   1HB   ALA   4          1HB       ALA   4   8.281  13.354   1.923
   27   2HB   ALA   4          2HB       ALA   4   8.700  13.284   0.211
   28   3HB   ALA   4          3HB       ALA   4   9.137  11.952   1.282
   29    H    GLY   5           H        GLY   5   7.167  10.411  -1.211
   30   1HA   GLY   5          2HA       GLY   5   8.343   8.132   0.000
   31   2HA   GLY   5          1HA       GLY   5   6.593   7.947   0.111
   32    H    GLY   6           H        GLY   6   5.398   7.580  -1.793
   33   1HA   GLY   6          2HA       GLY   6   5.619   7.878  -4.374
   34   2HA   GLY   6          1HA       GLY   6   7.068   6.894  -4.167
   35    H    CYS   7           H        CYS   7   3.545   6.856  -3.635
   36    HA   CYS   7           HA       CYS   7   3.645   3.866  -3.903
   37   1HB   CYS   7          2HB       CYS   7   1.802   5.699  -2.338
   38   2HB   CYS   7          1HB       CYS   7   1.572   3.957  -2.480
   39    H    ALA   8           H        ALA   8   1.479   3.002  -4.781
   40    HA   ALA   8           HA       ALA   8   0.799   4.492  -7.223
   41   1HB   ALA   8          1HB       ALA   8  -0.832   2.192  -6.827
   42   2HB   ALA   8          2HB       ALA   8   0.780   1.799  -6.228
   43   3HB   ALA   8          3HB       ALA   8   0.566   2.351  -7.888
   44    H    THR   9           H        THR   9  -1.830   4.010  -7.641
   45    HA   THR   9           HA       THR   9  -3.287   6.046  -6.508
   46    HB   THR   9           HB       THR   9  -4.298   4.861  -8.254
   47    HG1  THR   9           1HG      THR   9  -6.199   3.968  -7.347
   48   1HG2  THR   9          1HG2      THR   9  -4.790   2.285  -7.773
   49   2HG2  THR   9          2HG2      THR   9  -3.392   2.465  -6.713
   50   3HG2  THR   9          3HG2      THR   9  -3.243   2.813  -8.435
   51    H    GLY  10           H        GLY  10  -4.711   3.065  -5.414
   52   1HA   GLY  10          2HA       GLY  10  -4.775   4.138  -2.672
   53   2HA   GLY  10          1HA       GLY  10  -5.681   2.744  -3.259
   54    H    PHE  11           H        PHE  11  -2.187   3.555  -3.123
   55    HA   PHE  11           HA       PHE  11  -1.585   0.815  -2.212
   56   1HB   PHE  11          2HB       PHE  11  -0.409   3.072  -3.682
   57   2HB   PHE  11          1HB       PHE  11   0.696   2.308  -2.589
   58    HD1  PHE  11           1HD      PHE  11   2.033   0.636  -3.559
   59    HD2  PHE  11           2HD      PHE  11  -1.975   1.190  -4.994
   60    HE1  PHE  11           1HE      PHE  11   2.393  -1.141  -5.239
   61    HE2  PHE  11           2HE      PHE  11  -1.610  -0.594  -6.674
   62    HZ   PHE  11           HZ       PHE  11   0.574  -1.755  -6.800
   63    H    MET  12           H        MET  12  -1.388   0.574   0.023
   64    HA   MET  12           HA       MET  12  -0.876   2.984   1.694
   65   1HB   MET  12          2HB       MET  12  -2.805   1.441   2.100
   66   2HB   MET  12          1HB       MET  12  -1.657   0.143   2.424
   67   1HG   MET  12          2HG       MET  12  -0.714   2.153   4.047
   68   2HG   MET  12          1HG       MET  12  -2.458   2.402   4.131
   69   1HE   MET  12          1HE       MET  12  -3.983   0.626   4.049
   70   2HE   MET  12          2HE       MET  12  -4.087  -0.370   5.499
   71   3HE   MET  12          3HE       MET  12  -3.510  -1.077   3.993
   72    H    ARG  13           H        ARG  13   1.119   3.304   2.571
   73    HA   ARG  13           HA       ARG  13   3.416   1.785   1.991
   74   1HB   ARG  13          2HB       ARG  13   2.965   4.162   3.044
   75   2HB   ARG  13          1HB       ARG  13   3.112   3.292   4.572
   76   1HG   ARG  13          2HG       ARG  13   5.299   4.160   3.936
   77   2HG   ARG  13          1HG       ARG  13   5.313   2.401   3.804
   78   1HD   ARG  13          2HD       ARG  13   5.873   2.568   1.619
   79   2HD   ARG  13          1HD       ARG  13   4.398   3.505   1.308
   80    HE   ARG  13           HE       ARG  13   5.712   5.464   1.381
   81   1HH1  ARG  13          1HH2      ARG  13   7.952   3.146   1.265
   82   2HH1  ARG  13          2HH2      ARG  13   9.112   3.877   2.323
   83   1HH2  ARG  13          1HH1      ARG  13   6.918   6.299   3.488
   84   2HH2  ARG  13          2HH1      ARG  13   8.528   5.664   3.580
   85    H    THR  14           H        THR  14   4.183  -0.129   2.790
   86    HA   THR  14           HA       THR  14   2.729  -1.435   5.028
   87    HB   THR  14           HB       THR  14   3.935  -3.425   4.199
   88    HG1  THR  14           1HG      THR  14   5.845  -2.214   3.631
   89   1HG2  THR  14          1HG2      THR  14   2.956  -3.512   1.968
   90   2HG2  THR  14          2HG2      THR  14   2.847  -1.752   1.919
   91   3HG2  THR  14          3HG2      THR  14   1.856  -2.667   3.056
   92    H    ALA  15           H        ALA  15   3.791  -2.038   6.957
   93    HA   ALA  15           HA       ALA  15   5.705  -0.456   8.155
   94   1HB   ALA  15          1HB       ALA  15   4.504  -2.114   9.394
   95   2HB   ALA  15          2HB       ALA  15   6.201  -2.581   9.505
   96   3HB   ALA  15          3HB       ALA  15   5.128  -3.417   8.383
   97    H    ASP  16           H        ASP  16   6.294  -3.032   5.825
   98    HA   ASP  16           HA       ASP  16   9.136  -3.285   6.276
   99   1HB   ASP  16          2HB       ASP  16   7.657  -4.939   5.144
  100   2HB   ASP  16          1HB       ASP  16   7.441  -3.804   3.811
  101    H    GLY  17           H        GLY  17   7.225  -0.840   4.820
  102   1HA   GLY  17          2HA       GLY  17   8.129   1.285   4.124
  103   2HA   GLY  17          1HA       GLY  17   9.683   0.500   3.836
  104    H    ARG  18           H        ARG  18   6.453  -0.485   2.709
  105    HA   ARG  18           HA       ARG  18   7.330   0.088  -0.097
  106   1HB   ARG  18          2HB       ARG  18   6.121  -2.494   0.941
  107   2HB   ARG  18          1HB       ARG  18   6.622  -2.177  -0.720
  108   1HG   ARG  18          2HG       ARG  18   8.948  -1.656   0.294
  109   2HG   ARG  18          1HG       ARG  18   8.350  -2.486   1.731
  110   1HD   ARG  18          2HD       ARG  18   8.131  -4.549   0.603
  111   2HD   ARG  18          1HD       ARG  18   8.141  -3.777  -0.994
  112    HE   ARG  18           HE       ARG  18  10.555  -3.652   0.766
  113   1HH1  ARG  18          1HH2      ARG  18  10.487  -2.339  -1.949
  114   2HH1  ARG  18          2HH2      ARG  18  11.269  -3.530  -2.935
  115   1HH2  ARG  18          1HH1      ARG  18  10.912  -6.077  -0.612
  116   2HH2  ARG  18          2HH1      ARG  18  11.509  -5.644  -2.179
  117    H    CYS  19           H        CYS  19   5.535   0.269  -1.597
  118    HA   CYS  19           HA       CYS  19   3.032   1.234  -0.344
  119   1HB   CYS  19          2HB       CYS  19   4.125   1.211  -3.172
  120   2HB   CYS  19          1HB       CYS  19   2.709   2.112  -2.628
  121    H    LYS  20           H        LYS  20   1.295  -0.150  -0.203
  122    HA   LYS  20           HA       LYS  20   1.066  -2.349  -2.238
  123   1HB   LYS  20          2HB       LYS  20   1.817  -2.903   0.180
  124   2HB   LYS  20          1HB       LYS  20   0.157  -2.520   0.640
  125   1HG   LYS  20          2HG       LYS  20  -0.692  -4.396  -0.349
  126   2HG   LYS  20          1HG       LYS  20   0.457  -4.336  -1.685
  127   1HD   LYS  20          2HD       LYS  20   1.158  -6.232  -0.492
  128   2HD   LYS  20          1HD       LYS  20   2.225  -4.972   0.129
  129   1HE   LYS  20          2HE       LYS  20   1.420  -5.284   2.221
  130   2HE   LYS  20          1HE       LYS  20  -0.238  -5.005   1.652
  131   1HZ   LYS  20          1HZ       LYS  20   0.115  -7.283   2.511
  132   2HZ   LYS  20          2HZ       LYS  20   1.260  -7.545   1.283
  133   3HZ   LYS  20          3HZ       LYS  20  -0.367  -7.257   0.885
  134    HA   PRO  21           HA       PRO  21  -2.845  -0.366  -2.797
  135   1HB   PRO  21          2HB       PRO  21  -3.867  -2.163  -4.597
  136   2HB   PRO  21          1HB       PRO  21  -2.749  -0.861  -5.012
  137   1HG   PRO  21          2HG       PRO  21  -2.249  -3.738  -4.710
  138   2HG   PRO  21          1HG       PRO  21  -1.409  -2.562  -5.705
  139   1HD   PRO  21          2HD       PRO  21  -0.496  -3.622  -3.297
  140   2HD   PRO  21          1HD       PRO  21   0.129  -2.169  -4.094
  141    H    THR  22           H        THR  22  -4.621  -0.474  -1.606
  142    HA   THR  22           HA       THR  22  -5.198  -2.555   0.236
  143    HB   THR  22           HB       THR  22  -7.148  -1.186   0.683
  144    HG1  THR  22           1HG      THR  22  -6.676   0.163  -1.753
  145   1HG2  THR  22          1HG2      THR  22  -4.529  -0.069   0.237
  146   2HG2  THR  22          2HG2      THR  22  -5.718   0.369   1.464
  147   3HG2  THR  22          3HG2      THR  22  -5.754   1.149  -0.117
  148    H    PHE  23           H        PHE  23  -7.870  -1.660  -1.832
  149    HA   PHE  23           HA       PHE  23  -8.710  -4.411  -2.158
  150   1HB   PHE  23          2HB       PHE  23  -9.539  -1.710  -3.226
  151   2HB   PHE  23          1HB       PHE  23 -10.348  -3.184  -3.759
  152    HD1  PHE  23           1HD      PHE  23 -10.869  -0.592  -1.670
  153    HD2  PHE  23           2HD      PHE  23 -10.534  -4.869  -1.456
  154    HE1  PHE  23           1HE      PHE  23 -12.231  -0.595   0.404
  155    HE2  PHE  23           2HE      PHE  23 -11.894  -4.872   0.617
  156    HZ   PHE  23           HZ       PHE  23 -12.743  -2.735   1.548
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1  17.871  14.889   3.507
    2   2H    GLU   1          2HT       GLU   1  17.162  15.573   4.892
    3   3H    GLU   1          3HT       GLU   1  16.591  15.988   3.346
    4    HA   GLU   1           HA       GLU   1  16.402  13.226   3.473
    5   1HB   GLU   1          2HB       GLU   1  15.717  14.709   6.017
    6   2HB   GLU   1          1HB       GLU   1  14.935  13.182   5.607
    7   1HG   GLU   1          2HG       GLU   1  17.928  13.375   5.489
    8   2HG   GLU   1          1HG       GLU   1  17.135  13.171   7.052
    9    H    ASN   2           H        ASN   2  14.076  15.399   5.026
   10    HA   ASN   2           HA       ASN   2  12.010  16.251   4.248
   11   1HB   ASN   2          2HB       ASN   2  13.901  16.769   2.354
   12   2HB   ASN   2          1HB       ASN   2  12.766  15.797   1.415
   13   1HD2  ASN   2          1HD2      ASN   2  10.516  16.606   1.241
   14   2HD2  ASN   2          2HD2      ASN   2  10.173  18.245   1.516
   15    H    PHE   3           H        PHE   3  10.011  15.294   3.794
   16    HA   PHE   3           HA       PHE   3   9.796  12.456   3.658
   17   1HB   PHE   3          2HB       PHE   3   8.171  14.581   4.190
   18   2HB   PHE   3          1HB       PHE   3   7.575  14.109   2.598
   19    HD1  PHE   3           1HD      PHE   3   7.505  11.373   2.339
   20    HD2  PHE   3           2HD      PHE   3   7.060  13.605   5.982
   21    HE1  PHE   3           1HE      PHE   3   6.287   9.468   3.358
   22    HE2  PHE   3           2HE      PHE   3   5.842  11.700   7.001
   23    HZ   PHE   3           HZ       PHE   3   5.455   9.631   5.688
   24    H    ALA   4           H        ALA   4   9.556  11.056   1.917
   25    HA   ALA   4           HA       ALA   4   9.319  12.205  -0.827
   26   1HB   ALA   4          1HB       ALA   4  11.204  10.068  -0.875
   27   2HB   ALA   4          2HB       ALA   4  11.675  11.148   0.437
   28   3HB   ALA   4          3HB       ALA   4  11.506  11.775  -1.203
   29    H    GLY   5           H        GLY   5   7.209  10.981   0.426
   30   1HA   GLY   5          2HA       GLY   5   7.108   8.130   0.180
   31   2HA   GLY   5          1HA       GLY   5   5.703   9.193   0.247
   32    H    GLY   6           H        GLY   6   5.942   6.891  -1.452
   33   1HA   GLY   6          2HA       GLY   6   5.227   8.129  -3.992
   34   2HA   GLY   6          1HA       GLY   6   6.731   7.209  -4.077
   35    H    CYS   7           H        CYS   7   3.260   6.975  -3.573
   36    HA   CYS   7           HA       CYS   7   3.496   3.996  -3.853
   37   1HB   CYS   7          2HB       CYS   7   1.566   5.738  -2.292
   38   2HB   CYS   7          1HB       CYS   7   1.378   3.999  -2.479
   39    H    ALA   8           H        ALA   8   1.545   3.000  -4.886
   40    HA   ALA   8           HA       ALA   8   0.790   4.436  -7.304
   41   1HB   ALA   8          1HB       ALA   8   0.601   2.277  -7.924
   42   2HB   ALA   8          2HB       ALA   8  -0.789   2.100  -6.854
   43   3HB   ALA   8          3HB       ALA   8   0.836   1.773  -6.252
   44    H    THR   9           H        THR   9  -1.831   3.841  -7.732
   45    HA   THR   9           HA       THR   9  -3.369   5.879  -6.736
   46    HB   THR   9           HB       THR   9  -4.353   4.535  -8.377
   47    HG1  THR   9           1HG      THR   9  -6.157   4.651  -7.339
   48   1HG2  THR   9          1HG2      THR   9  -3.141   2.547  -8.394
   49   2HG2  THR   9          2HG2      THR   9  -4.705   1.986  -7.802
   50   3HG2  THR   9          3HG2      THR   9  -3.382   2.266  -6.670
   51    H    GLY  10           H        GLY  10  -4.619   2.903  -5.412
   52   1HA   GLY  10          2HA       GLY  10  -4.650   4.172  -2.734
   53   2HA   GLY  10          1HA       GLY  10  -5.609   2.773  -3.222
   54    H    PHE  11           H        PHE  11  -2.104   3.541  -3.168
   55    HA   PHE  11           HA       PHE  11  -1.511   0.813  -2.221
   56   1HB   PHE  11          2HB       PHE  11  -0.346   3.042  -3.737
   57   2HB   PHE  11          1HB       PHE  11   0.770   2.289  -2.644
   58    HD1  PHE  11           1HD      PHE  11   2.108   0.635  -3.627
   59    HD2  PHE  11           2HD      PHE  11  -1.936   1.122  -4.980
   60    HE1  PHE  11           1HE      PHE  11   2.455  -1.161  -5.290
   61    HE2  PHE  11           2HE      PHE  11  -1.588  -0.680  -6.644
   62    HZ   PHE  11           HZ       PHE  11   0.608  -1.818  -6.804
   63    H    MET  12           H        MET  12  -1.312   0.609   0.018
   64    HA   MET  12           HA       MET  12  -0.739   3.040   1.641
   65   1HB   MET  12          2HB       MET  12  -2.591   1.085   1.871
   66   2HB   MET  12          1HB       MET  12  -1.304   0.377   2.846
   67   1HG   MET  12          2HG       MET  12  -2.042   3.255   3.266
   68   2HG   MET  12          1HG       MET  12  -3.054   1.993   3.968
   69   1HE   MET  12          1HE       MET  12  -0.131   4.135   4.103
   70   2HE   MET  12          2HE       MET  12   0.501   3.829   5.718
   71   3HE   MET  12          3HE       MET  12  -1.177   4.325   5.516
   72    H    ARG  13           H        ARG  13   1.231   3.302   2.623
   73    HA   ARG  13           HA       ARG  13   3.505   1.737   1.991
   74   1HB   ARG  13          2HB       ARG  13   3.027   4.127   3.126
   75   2HB   ARG  13          1HB       ARG  13   3.378   3.199   4.586
   76   1HG   ARG  13          2HG       ARG  13   5.446   4.180   3.712
   77   2HG   ARG  13          1HG       ARG  13   5.503   2.424   3.553
   78   1HD   ARG  13          2HD       ARG  13   5.733   2.598   1.309
   79   2HD   ARG  13          1HD       ARG  13   4.271   3.598   1.204
   80    HE   ARG  13           HE       ARG  13   5.643   5.573   1.579
   81   1HH1  ARG  13          1HH1      ARG  13   7.139   3.725  -0.466
   82   2HH1  ARG  13          2HH1      ARG  13   8.768   3.958   0.075
   83   1HH2  ARG  13          1HH2      ARG  13   7.843   5.395   3.092
   84   2HH2  ARG  13          2HH2      ARG  13   9.167   4.904   2.088
   85    H    THR  14           H        THR  14   4.123  -0.252   2.731
   86    HA   THR  14           HA       THR  14   2.676  -1.481   4.998
   87    HB   THR  14           HB       THR  14   3.750  -3.509   4.180
   88    HG1  THR  14           1HG      THR  14   5.796  -2.614   3.780
   89   1HG2  THR  14          1HG2      THR  14   3.201  -3.228   1.652
   90   2HG2  THR  14          2HG2      THR  14   2.683  -1.605   2.109
   91   3HG2  THR  14          3HG2      THR  14   1.900  -3.014   2.823
   92    H    ALA  15           H        ALA  15   3.753  -2.238   6.887
   93    HA   ALA  15           HA       ALA  15   5.607  -0.681   8.197
   94   1HB   ALA  15          1HB       ALA  15   4.734  -3.514   8.271
   95   2HB   ALA  15          2HB       ALA  15   4.735  -2.306   9.556
   96   3HB   ALA  15          3HB       ALA  15   6.225  -3.155   9.143
   97    H    ASP  16           H        ASP  16   6.306  -3.135   5.758
   98    HA   ASP  16           HA       ASP  16   9.152  -3.292   6.235
   99   1HB   ASP  16          2HB       ASP  16   7.155  -4.444   4.579
  100   2HB   ASP  16          1HB       ASP  16   8.387  -3.790   3.498
  101    H    GLY  17           H        GLY  17   7.151  -0.896   4.806
  102   1HA   GLY  17          2HA       GLY  17   7.972   1.293   4.202
  103   2HA   GLY  17          1HA       GLY  17   9.563   0.584   3.912
  104    H    ARG  18           H        ARG  18   6.389  -0.497   2.716
  105    HA   ARG  18           HA       ARG  18   7.301   0.156  -0.064
  106   1HB   ARG  18          2HB       ARG  18   6.008  -2.437   0.811
  107   2HB   ARG  18          1HB       ARG  18   6.753  -2.086  -0.748
  108   1HG   ARG  18          2HG       ARG  18   8.947  -1.879   0.301
  109   2HG   ARG  18          1HG       ARG  18   8.233  -2.106   1.899
  110   1HD   ARG  18          2HD       ARG  18   8.899  -4.290   1.477
  111   2HD   ARG  18          1HD       ARG  18   7.298  -4.341   0.713
  112    HE   ARG  18           HE       ARG  18   9.098  -3.308  -1.209
  113   1HH1  ARG  18          1HH2      ARG  18  11.050  -5.251  -0.248
  114   2HH1  ARG  18          2HH2      ARG  18  10.619  -6.707  -1.079
  115   1HH2  ARG  18          1HH1      ARG  18   7.446  -5.596  -1.930
  116   2HH2  ARG  18          2HH1      ARG  18   8.577  -6.904  -2.031
  117    H    CYS  19           H        CYS  19   5.537   0.402  -1.583
  118    HA   CYS  19           HA       CYS  19   3.017   1.312  -0.343
  119   1HB   CYS  19          2HB       CYS  19   4.162   1.326  -3.149
  120   2HB   CYS  19          1HB       CYS  19   2.672   2.141  -2.672
  121    H    LYS  20           H        LYS  20   1.388  -0.182  -0.100
  122    HA   LYS  20           HA       LYS  20   1.130  -2.330  -2.182
  123   1HB   LYS  20          2HB       LYS  20   1.862  -2.786   0.316
  124   2HB   LYS  20          1HB       LYS  20   0.138  -2.598   0.642
  125   1HG   LYS  20          2HG       LYS  20  -0.429  -4.513  -0.495
  126   2HG   LYS  20          1HG       LYS  20   0.892  -4.342  -1.652
  127   1HD   LYS  20          2HD       LYS  20   2.462  -5.292  -0.199
  128   2HD   LYS  20          1HD       LYS  20   1.495  -4.938   1.233
  129   1HE   LYS  20          2HE       LYS  20  -0.238  -6.571  -0.030
  130   2HE   LYS  20          1HE       LYS  20   1.283  -7.225  -0.668
  131   1HZ   LYS  20          1HZ       LYS  20   0.330  -7.905   1.710
  132   2HZ   LYS  20          2HZ       LYS  20   1.238  -6.542   2.163
  133   3HZ   LYS  20          3HZ       LYS  20   1.991  -7.845   1.374
  134    HA   PRO  21           HA       PRO  21  -2.787  -0.372  -2.746
  135   1HB   PRO  21          2HB       PRO  21  -3.820  -2.205  -4.507
  136   2HB   PRO  21          1HB       PRO  21  -2.713  -0.904  -4.955
  137   1HG   PRO  21          2HG       PRO  21  -2.189  -3.774  -4.592
  138   2HG   PRO  21          1HG       PRO  21  -1.381  -2.617  -5.637
  139   1HD   PRO  21          2HD       PRO  21  -0.390  -3.599  -3.238
  140   2HD   PRO  21          1HD       PRO  21   0.171  -2.134  -4.059
  141    H    THR  22           H        THR  22  -4.547  -0.464  -1.537
  142    HA   THR  22           HA       THR  22  -5.092  -2.746   0.191
  143    HB   THR  22           HB       THR  22  -6.555  -1.203   1.243
  144    HG1  THR  22           1HG      THR  22  -6.604   0.409  -1.067
  145   1HG2  THR  22          1HG2      THR  22  -4.011  -0.394   0.595
  146   2HG2  THR  22          2HG2      THR  22  -5.081   0.474   1.696
  147   3HG2  THR  22          3HG2      THR  22  -4.975   0.960   0.004
  148    H    PHE  23           H        PHE  23  -6.140  -1.741  -2.936
  149    HA   PHE  23           HA       PHE  23  -8.514  -3.569  -2.774
  150   1HB   PHE  23          2HB       PHE  23  -7.987  -0.904  -3.888
  151   2HB   PHE  23          1HB       PHE  23  -8.780  -1.986  -5.033
  152    HD1  PHE  23           1HD      PHE  23 -11.088  -1.701  -5.058
  153    HD2  PHE  23           2HD      PHE  23  -8.991  -1.462  -1.318
  154    HE1  PHE  23           1HE      PHE  23 -13.241  -1.383  -3.872
  155    HE2  PHE  23           2HE      PHE  23 -11.145  -1.144  -0.131
  156    HZ   PHE  23           HZ       PHE  23 -13.270  -1.104  -1.408
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   7.794  12.792   6.622
    2   2H    GLU   1          2HT       GLU   1   7.499  11.490   7.674
    3   3H    GLU   1          3HT       GLU   1   6.965  11.422   6.062
    4    HA   GLU   1           HA       GLU   1   9.791  11.394   6.997
    5   1HB   GLU   1          2HB       GLU   1   7.823   9.416   5.826
    6   2HB   GLU   1          1HB       GLU   1   9.562   9.121   5.805
    7   1HG   GLU   1          2HG       GLU   1   9.160   8.173   7.843
    8   2HG   GLU   1          1HG       GLU   1   9.226   9.845   8.403
    9    H    ASN   2           H        ASN   2   9.737  13.453   5.486
   10    HA   ASN   2           HA       ASN   2   9.358  13.109   2.648
   11   1HB   ASN   2          2HB       ASN   2   9.745  15.167   4.431
   12   2HB   ASN   2          1HB       ASN   2  11.295  15.127   3.589
   13   1HD2  ASN   2          1HD2      ASN   2   7.807  14.812   2.670
   14   2HD2  ASN   2          2HD2      ASN   2   7.930  15.819   1.309
   15    H    PHE   3           H        PHE   3  10.678  10.915   2.802
   16    HA   PHE   3           HA       PHE   3  13.417  11.511   1.805
   17   1HB   PHE   3          2HB       PHE   3  12.672  10.328   4.376
   18   2HB   PHE   3          1HB       PHE   3  13.747   9.283   3.448
   19    HD1  PHE   3           1HD      PHE   3  14.099  11.227   6.043
   20    HD2  PHE   3           2HD      PHE   3  15.300  11.322   1.919
   21    HE1  PHE   3           1HE      PHE   3  16.023  12.675   6.637
   22    HE2  PHE   3           2HE      PHE   3  17.224  12.770   2.514
   23    HZ   PHE   3           HZ       PHE   3  17.585  13.447   4.873
   24    H    ALA   4           H        ALA   4  12.807  10.731  -0.268
   25    HA   ALA   4           HA       ALA   4  12.255   9.119  -1.914
   26   1HB   ALA   4          1HB       ALA   4  13.885   7.559  -1.723
   27   2HB   ALA   4          2HB       ALA   4  13.122   6.855  -0.298
   28   3HB   ALA   4          3HB       ALA   4  14.221   8.223  -0.124
   29    H    GLY   5           H        GLY   5   9.969   9.075  -1.915
   30   1HA   GLY   5          2HA       GLY   5   8.763   6.737  -0.567
   31   2HA   GLY   5          1HA       GLY   5   8.080   8.312  -0.162
   32    H    GLY   6           H        GLY   6   6.061   7.918  -1.161
   33   1HA   GLY   6          2HA       GLY   6   4.771   8.503  -3.133
   34   2HA   GLY   6          1HA       GLY   6   6.147   8.035  -4.132
   35    H    CYS   7           H        CYS   7   3.164   7.108  -3.765
   36    HA   CYS   7           HA       CYS   7   3.822   4.201  -4.023
   37   1HB   CYS   7          2HB       CYS   7   1.732   5.537  -2.278
   38   2HB   CYS   7          1HB       CYS   7   1.747   3.806  -2.616
   39    H    ALA   8           H        ALA   8   1.589   3.077  -4.754
   40    HA   ALA   8           HA       ALA   8   0.800   4.428  -7.234
   41   1HB   ALA   8          1HB       ALA   8   0.633   2.253  -7.794
   42   2HB   ALA   8          2HB       ALA   8  -0.747   2.100  -6.709
   43   3HB   ALA   8          3HB       ALA   8   0.884   1.786  -6.113
   44    H    THR   9           H        THR   9  -1.803   3.916  -7.616
   45    HA   THR   9           HA       THR   9  -3.286   5.943  -6.495
   46    HB   THR   9           HB       THR   9  -4.269   4.743  -8.247
   47    HG1  THR   9           1HG      THR   9  -5.940   5.114  -6.916
   48   1HG2  THR   9          1HG2      THR   9  -4.730   2.119  -7.463
   49   2HG2  THR   9          2HG2      THR   9  -3.115   2.455  -6.840
   50   3HG2  THR   9          3HG2      THR   9  -3.457   2.658  -8.558
   51    H    GLY  10           H        GLY  10  -4.713   2.970  -5.403
   52   1HA   GLY  10          2HA       GLY  10  -4.810   4.050  -2.668
   53   2HA   GLY  10          1HA       GLY  10  -5.679   2.631  -3.253
   54    H    PHE  11           H        PHE  11  -2.199   3.498  -3.120
   55    HA   PHE  11           HA       PHE  11  -1.563   0.792  -2.135
   56   1HB   PHE  11          2HB       PHE  11  -0.418   3.029  -3.664
   57   2HB   PHE  11          1HB       PHE  11   0.699   2.272  -2.575
   58    HD1  PHE  11           1HD      PHE  11  -2.031   1.084  -4.875
   59    HD2  PHE  11           2HD      PHE  11   2.043   0.641  -3.596
   60    HE1  PHE  11           1HE      PHE  11  -1.689  -0.705  -6.552
   61    HE2  PHE  11           2HE      PHE  11   2.376  -1.154  -5.261
   62    HZ   PHE  11           HZ       PHE  11   0.513  -1.823  -6.749
   63    H    MET  12           H        MET  12  -1.446   0.650   0.121
   64    HA   MET  12           HA       MET  12  -0.843   3.114   1.682
   65   1HB   MET  12          2HB       MET  12  -2.838   1.592   2.099
   66   2HB   MET  12          1HB       MET  12  -1.690   0.359   2.625
   67   1HG   MET  12          2HG       MET  12  -0.935   1.702   4.450
   68   2HG   MET  12          1HG       MET  12  -1.735   3.139   3.817
   69   1HE   MET  12          1HE       MET  12  -4.436   3.535   5.785
   70   2HE   MET  12          2HE       MET  12  -2.765   3.920   5.380
   71   3HE   MET  12          3HE       MET  12  -3.120   2.983   6.830
   72    H    ARG  13           H        ARG  13   1.271   3.413   2.221
   73    HA   ARG  13           HA       ARG  13   3.452   1.769   1.828
   74   1HB   ARG  13          2HB       ARG  13   3.301   4.165   2.682
   75   2HB   ARG  13          1HB       ARG  13   3.045   3.485   4.290
   76   1HG   ARG  13          2HG       ARG  13   5.327   3.618   4.384
   77   2HG   ARG  13          1HG       ARG  13   5.222   2.070   3.542
   78   1HD   ARG  13          2HD       ARG  13   6.723   3.368   2.220
   79   2HD   ARG  13          1HD       ARG  13   5.172   3.492   1.368
   80    HE   ARG  13           HE       ARG  13   5.292   5.796   1.837
   81   1HH1  ARG  13          1HH1      ARG  13   8.003   4.904   3.311
   82   2HH1  ARG  13          2HH1      ARG  13   7.817   5.837   4.759
   83   1HH2  ARG  13          1HH2      ARG  13   4.487   6.596   4.159
   84   2HH2  ARG  13          2HH2      ARG  13   5.827   6.794   5.240
   85    H    THR  14           H        THR  14   4.073  -0.197   2.642
   86    HA   THR  14           HA       THR  14   2.578  -1.343   4.932
   87    HB   THR  14           HB       THR  14   3.559  -3.417   4.156
   88    HG1  THR  14           1HG      THR  14   5.403  -3.439   3.162
   89   1HG2  THR  14          1HG2      THR  14   2.801  -1.572   1.878
   90   2HG2  THR  14          2HG2      THR  14   1.732  -2.651   2.775
   91   3HG2  THR  14          3HG2      THR  14   2.969  -3.320   1.710
   92    H    ALA  15           H        ALA  15   3.601  -1.957   6.881
   93    HA   ALA  15           HA       ALA  15   5.582  -0.428   8.047
   94   1HB   ALA  15          1HB       ALA  15   4.108  -2.210   9.067
   95   2HB   ALA  15          2HB       ALA  15   5.774  -2.245   9.642
   96   3HB   ALA  15          3HB       ALA  15   5.232  -3.416   8.439
   97    H    ASP  16           H        ASP  16   6.040  -3.033   5.738
   98    HA   ASP  16           HA       ASP  16   8.856  -3.473   6.223
   99   1HB   ASP  16          2HB       ASP  16   6.767  -4.150   4.229
  100   2HB   ASP  16          1HB       ASP  16   8.425  -4.187   3.627
  101    H    GLY  17           H        GLY  17   7.162  -0.844   4.893
  102   1HA   GLY  17          2HA       GLY  17   8.171   1.203   4.179
  103   2HA   GLY  17          1HA       GLY  17   9.692   0.342   3.940
  104    H    ARG  18           H        ARG  18   6.456  -0.451   2.665
  105    HA   ARG  18           HA       ARG  18   7.454   0.171  -0.083
  106   1HB   ARG  18          2HB       ARG  18   6.466  -2.465   1.015
  107   2HB   ARG  18          1HB       ARG  18   6.458  -2.117  -0.714
  108   1HG   ARG  18          2HG       ARG  18   8.805  -1.946  -0.818
  109   2HG   ARG  18          1HG       ARG  18   8.956  -1.718   0.925
  110   1HD   ARG  18          2HD       ARG  18   9.339  -3.947   1.094
  111   2HD   ARG  18          1HD       ARG  18   7.659  -4.211   0.588
  112    HE   ARG  18           HE       ARG  18   9.975  -4.036  -1.299
  113   1HH1  ARG  18          1HH1      ARG  18   6.633  -3.909  -1.255
  114   2HH1  ARG  18          2HH1      ARG  18   6.386  -5.212  -2.368
  115   1HH2  ARG  18          1HH2      ARG  18   9.722  -6.155  -2.417
  116   2HH2  ARG  18          2HH2      ARG  18   8.134  -6.481  -3.028
  117    H    CYS  19           H        CYS  19   5.692   0.293  -1.663
  118    HA   CYS  19           HA       CYS  19   3.179   1.315  -0.488
  119   1HB   CYS  19          2HB       CYS  19   4.319   1.171  -3.294
  120   2HB   CYS  19          1HB       CYS  19   2.881   2.080  -2.828
  121    H    LYS  20           H        LYS  20   1.467  -0.091  -0.267
  122    HA   LYS  20           HA       LYS  20   1.194  -2.289  -2.290
  123   1HB   LYS  20          2HB       LYS  20   2.051  -2.802   0.136
  124   2HB   LYS  20          1HB       LYS  20   0.363  -2.564   0.591
  125   1HG   LYS  20          2HG       LYS  20  -0.376  -4.385  -0.687
  126   2HG   LYS  20          1HG       LYS  20   1.062  -4.372  -1.710
  127   1HD   LYS  20          2HD       LYS  20   1.870  -6.011  -0.384
  128   2HD   LYS  20          1HD       LYS  20   2.073  -4.774   0.856
  129   1HE   LYS  20          2HE       LYS  20  -0.652  -5.444   0.973
  130   2HE   LYS  20          1HE       LYS  20   0.197  -6.992   0.800
  131   1HZ   LYS  20          1HZ       LYS  20   0.406  -4.990   2.917
  132   2HZ   LYS  20          2HZ       LYS  20   1.839  -5.779   2.459
  133   3HZ   LYS  20          3HZ       LYS  20   0.510  -6.679   3.014
  134    HA   PRO  21           HA       PRO  21  -2.783  -0.421  -2.648
  135   1HB   PRO  21          2HB       PRO  21  -3.864  -2.266  -4.361
  136   2HB   PRO  21          1HB       PRO  21  -2.789  -0.957  -4.859
  137   1HG   PRO  21          2HG       PRO  21  -2.233  -3.818  -4.545
  138   2HG   PRO  21          1HG       PRO  21  -1.450  -2.641  -5.582
  139   1HD   PRO  21          2HD       PRO  21  -0.440  -3.669  -3.189
  140   2HD   PRO  21          1HD       PRO  21   0.162  -2.242  -4.048
  141    H    THR  22           H        THR  22  -4.666  -0.597  -1.574
  142    HA   THR  22           HA       THR  22  -5.026  -2.827   0.290
  143    HB   THR  22           HB       THR  22  -6.565  -1.332   1.301
  144    HG1  THR  22           1HG      THR  22  -6.717   0.212  -1.047
  145   1HG2  THR  22          1HG2      THR  22  -5.203   0.935   0.082
  146   2HG2  THR  22          2HG2      THR  22  -4.075  -0.368   0.454
  147   3HG2  THR  22          3HG2      THR  22  -5.082   0.318   1.730
  148    H    PHE  23           H        PHE  23  -5.321  -3.678  -2.446
  149    HA   PHE  23           HA       PHE  23  -8.239  -4.368  -2.457
  150   1HB   PHE  23          2HB       PHE  23  -7.225  -2.603  -4.150
  151   2HB   PHE  23          1HB       PHE  23  -6.650  -4.046  -4.984
  152    HD1  PHE  23           1HD      PHE  23  -9.002  -1.823  -5.503
  153    HD2  PHE  23           2HD      PHE  23  -8.829  -5.969  -4.392
  154    HE1  PHE  23           1HE      PHE  23 -11.263  -2.174  -6.460
  155    HE2  PHE  23           2HE      PHE  23 -11.090  -6.319  -5.349
  156    HZ   PHE  23           HZ       PHE  23 -12.307  -4.422  -6.382
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1   9.506  15.453   0.232
    2   2H    GLU   1          2HT       GLU   1   8.698  15.613   1.717
    3   3H    GLU   1          3HT       GLU   1   9.914  14.442   1.530
    4    HA   GLU   1           HA       GLU   1  10.165  17.335   1.939
    5   1HB   GLU   1          2HB       GLU   1  11.031  14.726   3.012
    6   2HB   GLU   1          1HB       GLU   1  12.298  15.953   2.995
    7   1HG   GLU   1          2HG       GLU   1  11.267  17.225   4.580
    8   2HG   GLU   1          1HG       GLU   1   9.657  16.893   3.940
    9    H    ASN   2           H        ASN   2  12.515  14.796   1.055
   10    HA   ASN   2           HA       ASN   2  13.657  16.695  -0.968
   11   1HB   ASN   2          2HB       ASN   2  14.771  15.538   1.280
   12   2HB   ASN   2          1HB       ASN   2  15.301  14.450  -0.004
   13   1HD2  ASN   2          1HD2      ASN   2  17.391  15.769   1.022
   14   2HD2  ASN   2          2HD2      ASN   2  17.867  17.087   0.065
   15    H    PHE   3           H        PHE   3  11.811  15.562  -2.311
   16    HA   PHE   3           HA       PHE   3  11.300  14.095  -4.093
   17   1HB   PHE   3          2HB       PHE   3  14.008  14.706  -4.124
   18   2HB   PHE   3          1HB       PHE   3  13.995  12.945  -4.217
   19    HD1  PHE   3           1HD      PHE   3  12.298  15.945  -5.696
   20    HD2  PHE   3           2HD      PHE   3  13.652  11.913  -6.286
   21    HE1  PHE   3           1HE      PHE   3  11.648  16.078  -8.085
   22    HE2  PHE   3           2HE      PHE   3  13.003  12.043  -8.676
   23    HZ   PHE   3           HZ       PHE   3  11.999  14.126  -9.575
   24    H    ALA   4           H        ALA   4  11.322  11.679  -4.648
   25    HA   ALA   4           HA       ALA   4  11.067   9.416  -3.999
   26   1HB   ALA   4          1HB       ALA   4  12.807   8.648  -2.703
   27   2HB   ALA   4          2HB       ALA   4  12.572   9.894  -1.477
   28   3HB   ALA   4          3HB       ALA   4  13.422  10.279  -2.974
   29    H    GLY   5           H        GLY   5   9.774   8.168  -2.472
   30   1HA   GLY   5          2HA       GLY   5   8.473   7.970  -0.428
   31   2HA   GLY   5          1HA       GLY   5   8.508   9.727  -0.275
   32    H    GLY   6           H        GLY   6   7.152   7.092  -2.245
   33   1HA   GLY   6          2HA       GLY   6   4.587   8.448  -2.388
   34   2HA   GLY   6          1HA       GLY   6   5.440   8.480  -3.933
   35    H    CYS   7           H        CYS   7   3.052   7.119  -3.818
   36    HA   CYS   7           HA       CYS   7   3.960   4.310  -4.223
   37   1HB   CYS   7          2HB       CYS   7   1.683   5.245  -2.449
   38   2HB   CYS   7          1HB       CYS   7   1.978   3.562  -2.878
   39    H    ALA   8           H        ALA   8   1.351   3.264  -4.644
   40    HA   ALA   8           HA       ALA   8   0.687   4.572  -7.227
   41   1HB   ALA   8          1HB       ALA   8   0.583   2.400  -7.816
   42   2HB   ALA   8          2HB       ALA   8  -0.830   2.223  -6.776
   43   3HB   ALA   8          3HB       ALA   8   0.783   1.910  -6.135
   44    H    THR   9           H        THR   9  -1.915   4.023  -7.612
   45    HA   THR   9           HA       THR   9  -3.439   6.005  -6.494
   46    HB   THR   9           HB       THR   9  -4.436   4.746  -8.193
   47    HG1  THR   9           1HG      THR   9  -6.111   3.411  -6.876
   48   1HG2  THR   9          1HG2      THR   9  -3.243   2.483  -6.724
   49   2HG2  THR   9          2HG2      THR   9  -3.462   2.710  -8.459
   50   3HG2  THR   9          3HG2      THR   9  -4.801   2.130  -7.470
   51    H    GLY  10           H        GLY  10  -4.715   2.989  -5.310
   52   1HA   GLY  10          2HA       GLY  10  -4.736   4.128  -2.581
   53   2HA   GLY  10          1HA       GLY  10  -5.675   2.738  -3.126
   54    H    PHE  11           H        PHE  11  -2.174   3.528  -3.052
   55    HA   PHE  11           HA       PHE  11  -1.568   0.784  -2.153
   56   1HB   PHE  11          2HB       PHE  11  -0.402   3.053  -3.621
   57   2HB   PHE  11          1HB       PHE  11   0.710   2.256  -2.557
   58    HD1  PHE  11           1HD      PHE  11  -1.999   1.225  -4.953
   59    HD2  PHE  11           2HD      PHE  11   2.010   0.579  -3.565
   60    HE1  PHE  11           1HE      PHE  11  -1.669  -0.512  -6.686
   61    HE2  PHE  11           2HE      PHE  11   2.331  -1.164  -5.285
   62    HZ   PHE  11           HZ       PHE  11   0.495  -1.708  -6.854
   63    H    MET  12           H        MET  12  -1.358   0.556   0.092
   64    HA   MET  12           HA       MET  12  -0.801   2.978   1.734
   65   1HB   MET  12          2HB       MET  12  -2.692   1.162   2.010
   66   2HB   MET  12          1HB       MET  12  -1.412   0.227   2.782
   67   1HG   MET  12          2HG       MET  12  -2.083   1.355   4.652
   68   2HG   MET  12          1HG       MET  12  -1.053   2.629   3.999
   69   1HE   MET  12          1HE       MET  12  -5.468   2.109   3.054
   70   2HE   MET  12          2HE       MET  12  -4.978   1.653   4.684
   71   3HE   MET  12          3HE       MET  12  -4.207   0.891   3.294
   72    H    ARG  13           H        ARG  13   1.290   3.318   2.349
   73    HA   ARG  13           HA       ARG  13   3.504   1.686   1.847
   74   1HB   ARG  13          2HB       ARG  13   2.909   4.110   3.108
   75   2HB   ARG  13          1HB       ARG  13   3.708   3.157   4.359
   76   1HG   ARG  13          2HG       ARG  13   5.590   3.996   3.344
   77   2HG   ARG  13          1HG       ARG  13   5.345   2.597   2.298
   78   1HD   ARG  13          2HD       ARG  13   5.297   4.097   0.582
   79   2HD   ARG  13          1HD       ARG  13   3.687   4.548   1.180
   80    HE   ARG  13           HE       ARG  13   6.204   5.875   2.122
   81   1HH1  ARG  13          1HH1      ARG  13   3.984   6.768   0.007
   82   2HH1  ARG  13          2HH1      ARG  13   3.236   8.025   0.934
   83   1HH2  ARG  13          1HH2      ARG  13   4.757   7.098   3.910
   84   2HH2  ARG  13          2HH2      ARG  13   3.673   8.211   3.143
   85    H    THR  14           H        THR  14   4.180  -0.235   2.714
   86    HA   THR  14           HA       THR  14   2.733  -1.368   5.031
   87    HB   THR  14           HB       THR  14   3.789  -3.419   4.305
   88    HG1  THR  14           1HG      THR  14   5.498  -3.401   2.893
   89   1HG2  THR  14          1HG2      THR  14   3.264  -1.802   1.802
   90   2HG2  THR  14          2HG2      THR  14   1.983  -2.417   2.846
   91   3HG2  THR  14          3HG2      THR  14   3.060  -3.540   2.016
   92    H    ALA  15           H        ALA  15   3.758  -1.879   7.007
   93    HA   ALA  15           HA       ALA  15   5.661  -0.235   8.147
   94   1HB   ALA  15          1HB       ALA  15   6.151  -2.693   9.318
   95   2HB   ALA  15          2HB       ALA  15   4.563  -2.924   8.586
   96   3HB   ALA  15          3HB       ALA  15   4.819  -1.617   9.743
   97    H    ASP  16           H        ASP  16   6.258  -2.979   6.018
   98    HA   ASP  16           HA       ASP  16   9.091  -3.219   6.537
   99   1HB   ASP  16          2HB       ASP  16   7.057  -4.469   5.022
  100   2HB   ASP  16          1HB       ASP  16   8.285  -3.967   3.859
  101    H    GLY  17           H        GLY  17   7.219  -0.885   4.864
  102   1HA   GLY  17          2HA       GLY  17   8.164   1.184   4.053
  103   2HA   GLY  17          1HA       GLY  17   9.705   0.356   3.822
  104    H    ARG  18           H        ARG  18   6.411  -0.495   2.713
  105    HA   ARG  18           HA       ARG  18   7.369  -0.180  -0.103
  106   1HB   ARG  18          2HB       ARG  18   5.987  -2.618   1.050
  107   2HB   ARG  18          1HB       ARG  18   6.564  -2.430  -0.606
  108   1HG   ARG  18          2HG       ARG  18   8.354  -2.288   1.836
  109   2HG   ARG  18          1HG       ARG  18   8.130  -3.740   0.859
  110   1HD   ARG  18          2HD       ARG  18   9.306  -2.876  -0.944
  111   2HD   ARG  18          1HD       ARG  18   8.883  -1.200  -0.545
  112    HE   ARG  18           HE       ARG  18  10.440  -2.296   1.589
  113   1HH1  ARG  18          1HH1      ARG  18  11.017  -2.177  -1.745
  114   2HH1  ARG  18          2HH1      ARG  18  12.518  -1.321  -1.619
  115   1HH2  ARG  18          1HH2      ARG  18  12.229  -0.785   1.795
  116   2HH2  ARG  18          2HH2      ARG  18  13.204  -0.533   0.386
  117    H    CYS  19           H        CYS  19   5.641   0.074  -1.628
  118    HA   CYS  19           HA       CYS  19   3.145   1.173  -0.473
  119   1HB   CYS  19          2HB       CYS  19   4.315   1.020  -3.269
  120   2HB   CYS  19          1HB       CYS  19   2.900   1.964  -2.811
  121    H    LYS  20           H        LYS  20   1.355  -0.147  -0.333
  122    HA   LYS  20           HA       LYS  20   1.078  -2.371  -2.329
  123   1HB   LYS  20          2HB       LYS  20   1.448  -2.434   0.528
  124   2HB   LYS  20          1HB       LYS  20  -0.140  -3.096   0.132
  125   1HG   LYS  20          2HG       LYS  20   1.049  -4.485  -1.660
  126   2HG   LYS  20          1HG       LYS  20   2.558  -4.009  -0.880
  127   1HD   LYS  20          2HD       LYS  20   1.894  -5.030   1.200
  128   2HD   LYS  20          1HD       LYS  20   0.262  -5.318   0.597
  129   1HE   LYS  20          2HE       LYS  20   1.005  -6.997  -0.929
  130   2HE   LYS  20          1HE       LYS  20   2.704  -6.519  -0.738
  131   1HZ   LYS  20          1HZ       LYS  20   2.859  -7.501   1.278
  132   2HZ   LYS  20          2HZ       LYS  20   1.603  -8.477   0.676
  133   3HZ   LYS  20          3HZ       LYS  20   1.251  -7.166   1.700
  134    HA   PRO  21           HA       PRO  21  -2.841  -0.374  -2.772
  135   1HB   PRO  21          2HB       PRO  21  -3.898  -2.142  -4.581
  136   2HB   PRO  21          1HB       PRO  21  -2.784  -0.837  -4.999
  137   1HG   PRO  21          2HG       PRO  21  -2.293  -3.718  -4.768
  138   2HG   PRO  21          1HG       PRO  21  -1.451  -2.518  -5.735
  139   1HD   PRO  21          2HD       PRO  21  -0.548  -3.654  -3.343
  140   2HD   PRO  21          1HD       PRO  21   0.115  -2.215  -4.138
  141    H    THR  22           H        THR  22  -4.780  -0.566  -1.789
  142    HA   THR  22           HA       THR  22  -5.245  -2.830  -0.002
  143    HB   THR  22           HB       THR  22  -6.903  -1.367   0.902
  144    HG1  THR  22           1HG      THR  22  -6.792   0.253  -1.398
  145   1HG2  THR  22          1HG2      THR  22  -5.624   0.498   1.388
  146   2HG2  THR  22          2HG2      THR  22  -5.154   0.742  -0.295
  147   3HG2  THR  22          3HG2      THR  22  -4.376  -0.517   0.664
  148    H    PHE  23           H        PHE  23  -6.665  -1.553  -2.986
  149    HA   PHE  23           HA       PHE  23  -8.815  -3.581  -2.981
  150   1HB   PHE  23          2HB       PHE  23  -7.986  -1.183  -4.575
  151   2HB   PHE  23          1HB       PHE  23  -9.064  -2.355  -5.332
  152    HD1  PHE  23           1HD      PHE  23 -11.091  -3.154  -3.822
  153    HD2  PHE  23           2HD      PHE  23  -8.917   0.508  -3.262
  154    HE1  PHE  23           1HE      PHE  23 -13.007  -2.208  -2.563
  155    HE2  PHE  23           2HE      PHE  23 -10.832   1.454  -2.003
  156    HZ   PHE  23           HZ       PHE  23 -12.878   0.096  -1.654
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1  13.205   8.867 -12.791
    2   2H    GLU   1          2HT       GLU   1  13.052  10.142 -11.679
    3   3H    GLU   1          3HT       GLU   1  11.672   9.312 -12.221
    4    HA   GLU   1           HA       GLU   1  12.712   7.237 -11.195
    5   1HB   GLU   1          2HB       GLU   1  14.539   9.486 -10.517
    6   2HB   GLU   1          1HB       GLU   1  14.231   8.321  -9.229
    7   1HG   GLU   1          2HG       GLU   1  14.627   6.685 -11.411
    8   2HG   GLU   1          1HG       GLU   1  15.766   7.997 -11.714
    9    H    ASN   2           H        ASN   2  12.304  10.457  -9.661
   10    HA   ASN   2           HA       ASN   2  10.692  11.186  -8.089
   11   1HB   ASN   2          2HB       ASN   2   9.402   9.654  -9.897
   12   2HB   ASN   2          1HB       ASN   2   9.134   8.671  -8.457
   13   1HD2  ASN   2          1HD2      ASN   2   7.549  10.909 -10.193
   14   2HD2  ASN   2          2HD2      ASN   2   6.744  11.759  -8.964
   15    H    PHE   3           H        PHE   3  10.729  11.010  -5.863
   16    HA   PHE   3           HA       PHE   3  12.335   9.241  -4.437
   17   1HB   PHE   3          2HB       PHE   3  10.021  11.011  -3.898
   18   2HB   PHE   3          1HB       PHE   3  10.350   9.807  -2.652
   19    HD1  PHE   3           1HD      PHE   3  12.128  10.102  -1.128
   20    HD2  PHE   3           2HD      PHE   3  11.975  12.469  -4.709
   21    HE1  PHE   3           1HE      PHE   3  14.024  11.473  -0.303
   22    HE2  PHE   3           2HE      PHE   3  13.871  13.839  -3.884
   23    HZ   PHE   3           HZ       PHE   3  14.895  13.340  -1.681
   24    H    ALA   4           H        ALA   4  12.222   7.044  -4.237
   25    HA   ALA   4           HA       ALA   4  10.149   5.369  -5.137
   26   1HB   ALA   4          1HB       ALA   4  12.344   4.527  -4.671
   27   2HB   ALA   4          2HB       ALA   4  11.269   3.730  -3.522
   28   3HB   ALA   4          3HB       ALA   4  12.271   5.083  -2.998
   29    H    GLY   5           H        GLY   5  10.303   7.276  -2.242
   30   1HA   GLY   5          2HA       GLY   5   8.628   5.799  -0.500
   31   2HA   GLY   5          1HA       GLY   5   8.759   7.558  -0.497
   32    H    GLY   6           H        GLY   6   7.821   7.905  -3.227
   33   1HA   GLY   6          2HA       GLY   6   5.082   8.284  -2.850
   34   2HA   GLY   6          1HA       GLY   6   5.809   8.049  -4.440
   35    H    CYS   7           H        CYS   7   3.231   7.069  -3.782
   36    HA   CYS   7           HA       CYS   7   3.727   4.118  -3.956
   37   1HB   CYS   7          2HB       CYS   7   1.681   5.673  -2.346
   38   2HB   CYS   7          1HB       CYS   7   1.589   3.931  -2.596
   39    H    ALA   8           H        ALA   8   1.520   3.067  -4.761
   40    HA   ALA   8           HA       ALA   8   0.829   4.418  -7.277
   41   1HB   ALA   8          1HB       ALA   8   0.657   2.248  -7.854
   42   2HB   ALA   8          2HB       ALA   8  -0.733   2.084  -6.783
   43   3HB   ALA   8          3HB       ALA   8   0.894   1.776  -6.173
   44    H    THR   9           H        THR   9  -1.779   3.866  -7.719
   45    HA   THR   9           HA       THR   9  -3.309   5.901  -6.703
   46    HB   THR   9           HB       THR   9  -4.268   4.589  -8.390
   47    HG1  THR   9           1HG      THR   9  -6.100   3.507  -7.311
   48   1HG2  THR   9          1HG2      THR   9  -4.699   2.027  -7.726
   49   2HG2  THR   9          2HG2      THR   9  -3.278   2.325  -6.725
   50   3HG2  THR   9          3HG2      THR   9  -3.192   2.559  -8.470
   51    H    GLY  10           H        GLY  10  -4.655   2.944  -5.454
   52   1HA   GLY  10          2HA       GLY  10  -4.720   4.160  -2.761
   53   2HA   GLY  10          1HA       GLY  10  -5.653   2.756  -3.283
   54    H    PHE  11           H        PHE  11  -2.157   3.550  -3.161
   55    HA   PHE  11           HA       PHE  11  -1.565   0.826  -2.200
   56   1HB   PHE  11          2HB       PHE  11  -0.394   3.046  -3.722
   57   2HB   PHE  11          1HB       PHE  11   0.717   2.296  -2.620
   58    HD1  PHE  11           1HD      PHE  11  -2.003   1.098  -4.925
   59    HD2  PHE  11           2HD      PHE  11   2.063   0.652  -3.621
   60    HE1  PHE  11           1HE      PHE  11  -1.659  -0.707  -6.585
   61    HE2  PHE  11           2HE      PHE  11   2.399  -1.157  -5.270
   62    HZ   PHE  11           HZ       PHE  11   0.540  -1.834  -6.761
   63    H    MET  12           H        MET  12  -1.357   0.626   0.035
   64    HA   MET  12           HA       MET  12  -0.798   3.063   1.655
   65   1HB   MET  12          2HB       MET  12  -2.533   0.889   1.862
   66   2HB   MET  12          1HB       MET  12  -1.277   0.536   3.049
   67   1HG   MET  12          2HG       MET  12  -1.607   3.089   3.674
   68   2HG   MET  12          1HG       MET  12  -3.191   2.837   2.942
   69   1HE   MET  12          1HE       MET  12  -2.097   2.204   7.078
   70   2HE   MET  12          2HE       MET  12  -2.794   3.560   6.195
   71   3HE   MET  12          3HE       MET  12  -1.193   2.965   5.761
   72    H    ARG  13           H        ARG  13   1.170   3.326   2.657
   73    HA   ARG  13           HA       ARG  13   3.449   1.775   1.998
   74   1HB   ARG  13          2HB       ARG  13   2.692   3.791   4.086
   75   2HB   ARG  13          1HB       ARG  13   4.257   2.987   4.210
   76   1HG   ARG  13          2HG       ARG  13   3.686   3.883   1.487
   77   2HG   ARG  13          1HG       ARG  13   3.697   5.215   2.644
   78   1HD   ARG  13          2HD       ARG  13   5.900   3.845   3.477
   79   2HD   ARG  13          1HD       ARG  13   5.938   3.499   1.736
   80    HE   ARG  13           HE       ARG  13   5.323   6.251   2.042
   81   1HH1  ARG  13          1HH2      ARG  13   7.738   4.520   3.629
   82   2HH1  ARG  13          2HH2      ARG  13   9.055   5.465   3.018
   83   1HH2  ARG  13          1HH1      ARG  13   7.080   7.277   0.818
   84   2HH2  ARG  13          2HH1      ARG  13   8.682   7.027   1.427
   85    H    THR  14           H        THR  14   4.084  -0.211   2.725
   86    HA   THR  14           HA       THR  14   2.645  -1.473   4.980
   87    HB   THR  14           HB       THR  14   4.290  -3.371   4.129
   88    HG1  THR  14           1HG      THR  14   4.413  -2.675   1.708
   89   1HG2  THR  14          1HG2      THR  14   2.144  -2.371   2.249
   90   2HG2  THR  14          2HG2      THR  14   1.771  -3.134   3.795
   91   3HG2  THR  14          3HG2      THR  14   2.630  -4.040   2.550
   92    H    ALA  15           H        ALA  15   3.739  -2.259   6.857
   93    HA   ALA  15           HA       ALA  15   5.609  -0.703   8.162
   94   1HB   ALA  15          1HB       ALA  15   6.206  -3.071   9.216
   95   2HB   ALA  15          2HB       ALA  15   4.860  -3.604   8.209
   96   3HB   ALA  15          3HB       ALA  15   4.605  -2.366   9.440
   97    H    ASP  16           H        ASP  16   6.260  -3.159   5.713
   98    HA   ASP  16           HA       ASP  16   9.111  -3.338   6.147
   99   1HB   ASP  16          2HB       ASP  16   7.499  -4.908   4.909
  100   2HB   ASP  16          1HB       ASP  16   7.598  -3.773   3.562
  101    H    GLY  17           H        GLY  17   7.159  -0.847   4.912
  102   1HA   GLY  17          2HA       GLY  17   7.956   1.304   4.227
  103   2HA   GLY  17          1HA       GLY  17   9.549   0.596   3.947
  104    H    ARG  18           H        ARG  18   6.393  -0.509   2.727
  105    HA   ARG  18           HA       ARG  18   7.332   0.148  -0.046
  106   1HB   ARG  18          2HB       ARG  18   6.184  -2.447   1.023
  107   2HB   ARG  18          1HB       ARG  18   6.476  -2.120  -0.684
  108   1HG   ARG  18          2HG       ARG  18   8.742  -1.653   1.197
  109   2HG   ARG  18          1HG       ARG  18   8.308  -3.329   0.855
  110   1HD   ARG  18          2HD       ARG  18   8.448  -1.550  -1.519
  111   2HD   ARG  18          1HD       ARG  18   9.995  -1.906  -0.727
  112    HE   ARG  18           HE       ARG  18   8.693  -4.362  -0.820
  113   1HH1  ARG  18          1HH2      ARG  18   7.674  -2.823  -3.370
  114   2HH1  ARG  18          2HH2      ARG  18   8.719  -3.526  -4.560
  115   1HH2  ARG  18          1HH1      ARG  18  10.887  -4.897  -2.227
  116   2HH2  ARG  18          2HH1      ARG  18  10.539  -4.698  -3.911
  117    H    CYS  19           H        CYS  19   5.571   0.326  -1.600
  118    HA   CYS  19           HA       CYS  19   3.055   1.321  -0.400
  119   1HB   CYS  19          2HB       CYS  19   4.201   1.246  -3.208
  120   2HB   CYS  19          1HB       CYS  19   2.752   2.129  -2.729
  121    H    LYS  20           H        LYS  20   1.417  -0.170  -0.139
  122    HA   LYS  20           HA       LYS  20   1.140  -2.314  -2.223
  123   1HB   LYS  20          2HB       LYS  20   0.978  -2.319   0.782
  124   2HB   LYS  20          1HB       LYS  20   0.085  -3.528  -0.141
  125   1HG   LYS  20          2HG       LYS  20   2.489  -3.676  -1.385
  126   2HG   LYS  20          1HG       LYS  20   3.011  -3.223   0.237
  127   1HD   LYS  20          2HD       LYS  20   1.724  -5.099   1.184
  128   2HD   LYS  20          1HD       LYS  20   1.193  -5.554  -0.436
  129   1HE   LYS  20          2HE       LYS  20   3.353  -6.252  -1.085
  130   2HE   LYS  20          1HE       LYS  20   4.137  -5.331   0.216
  131   1HZ   LYS  20          1HZ       LYS  20   4.072  -7.497   1.037
  132   2HZ   LYS  20          2HZ       LYS  20   2.517  -7.796   0.422
  133   3HZ   LYS  20          3HZ       LYS  20   2.721  -6.768   1.759
  134    HA   PRO  21           HA       PRO  21  -2.804  -0.395  -2.681
  135   1HB   PRO  21          2HB       PRO  21  -3.868  -2.234  -4.417
  136   2HB   PRO  21          1HB       PRO  21  -2.773  -0.931  -4.890
  137   1HG   PRO  21          2HG       PRO  21  -2.237  -3.797  -4.548
  138   2HG   PRO  21          1HG       PRO  21  -1.443  -2.633  -5.595
  139   1HD   PRO  21          2HD       PRO  21  -0.433  -3.634  -3.203
  140   2HD   PRO  21          1HD       PRO  21   0.140  -2.182  -4.040
  141    H    THR  22           H        THR  22  -4.585  -0.497  -1.498
  142    HA   THR  22           HA       THR  22  -5.051  -2.642   0.376
  143    HB   THR  22           HB       THR  22  -6.738  -1.161   1.176
  144    HG1  THR  22           1HG      THR  22  -6.716   0.278  -1.240
  145   1HG2  THR  22          1HG2      THR  22  -5.227   1.011  -0.119
  146   2HG2  THR  22          2HG2      THR  22  -4.209  -0.220   0.627
  147   3HG2  THR  22          3HG2      THR  22  -5.409   0.637   1.594
  148    H    PHE  23           H        PHE  23  -6.338  -1.847  -2.798
  149    HA   PHE  23           HA       PHE  23  -7.625  -4.453  -3.023
  150   1HB   PHE  23          2HB       PHE  23  -9.040  -2.645  -1.597
  151   2HB   PHE  23          1HB       PHE  23  -9.580  -2.215  -3.219
  152    HD1  PHE  23           1HD      PHE  23 -10.332  -4.221  -0.482
  153    HD2  PHE  23           2HD      PHE  23 -10.016  -4.426  -4.761
  154    HE1  PHE  23           1HE      PHE  23 -11.846  -6.185  -0.500
  155    HE2  PHE  23           2HE      PHE  23 -11.531  -6.390  -4.779
  156    HZ   PHE  23           HZ       PHE  23 -12.445  -7.271  -2.648
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1  -4.735  20.929  -0.761
    2   2H    GLU   1          2HT       GLU   1  -3.224  21.245  -1.471
    3   3H    GLU   1          3HT       GLU   1  -4.267  22.528  -1.083
    4    HA   GLU   1           HA       GLU   1  -3.000  22.692   0.767
    5   1HB   GLU   1          2HB       GLU   1  -4.911  20.381   1.167
    6   2HB   GLU   1          1HB       GLU   1  -3.998  21.077   2.506
    7   1HG   GLU   1          2HG       GLU   1  -5.340  23.067   0.797
    8   2HG   GLU   1          1HG       GLU   1  -6.441  21.992   1.661
    9    H    ASN   2           H        ASN   2  -3.320  19.136   0.762
   10    HA   ASN   2           HA       ASN   2  -0.325  18.966   0.886
   11   1HB   ASN   2          2HB       ASN   2  -2.436  17.194   2.157
   12   2HB   ASN   2          1HB       ASN   2  -0.693  17.063   2.392
   13   1HD2  ASN   2          1HD2      ASN   2  -0.910  17.518   4.714
   14   2HD2  ASN   2          2HD2      ASN   2  -1.262  19.084   5.266
   15    H    PHE   3           H        PHE   3   0.633  17.515  -0.535
   16    HA   PHE   3           HA       PHE   3  -0.932  15.387  -1.831
   17   1HB   PHE   3          2HB       PHE   3  -1.233  17.806  -2.917
   18   2HB   PHE   3          1HB       PHE   3   0.304  17.395  -3.677
   19    HD1  PHE   3           1HD      PHE   3   0.292  14.692  -4.368
   20    HD2  PHE   3           2HD      PHE   3  -3.072  17.360  -4.268
   21    HE1  PHE   3           1HE      PHE   3  -0.896  13.254  -6.002
   22    HE2  PHE   3           2HE      PHE   3  -4.262  15.922  -5.902
   23    HZ   PHE   3           HZ       PHE   3  -3.174  13.869  -6.769
   24    H    ALA   4           H        ALA   4   1.160  14.770  -0.348
   25    HA   ALA   4           HA       ALA   4   3.452  14.438  -2.258
   26   1HB   ALA   4          1HB       ALA   4   3.794  14.491   0.723
   27   2HB   ALA   4          2HB       ALA   4   3.535  16.016  -0.125
   28   3HB   ALA   4          3HB       ALA   4   4.918  15.003  -0.536
   29    H    GLY   5           H        GLY   5   4.142  12.323  -2.509
   30   1HA   GLY   5          2HA       GLY   5   4.072  10.286  -0.551
   31   2HA   GLY   5          1HA       GLY   5   2.580  10.153  -1.483
   32    H    GLY   6           H        GLY   6   4.678   8.180  -1.471
   33   1HA   GLY   6          2HA       GLY   6   5.480   8.335  -4.346
   34   2HA   GLY   6          1HA       GLY   6   6.608   7.752  -3.122
   35    H    CYS   7           H        CYS   7   3.222   7.109  -4.121
   36    HA   CYS   7           HA       CYS   7   3.878   4.203  -4.209
   37   1HB   CYS   7          2HB       CYS   7   1.711   5.537  -2.554
   38   2HB   CYS   7          1HB       CYS   7   1.837   3.796  -2.798
   39    H    ALA   8           H        ALA   8   1.388   3.188  -4.704
   40    HA   ALA   8           HA       ALA   8   0.712   4.428  -7.313
   41   1HB   ALA   8          1HB       ALA   8  -0.795   2.081  -6.767
   42   2HB   ALA   8          2HB       ALA   8   0.833   1.805  -6.150
   43   3HB   ALA   8          3HB       ALA   8   0.594   2.241  -7.841
   44    H    THR   9           H        THR   9  -1.891   3.844  -7.686
   45    HA   THR   9           HA       THR   9  -3.431   5.858  -6.647
   46    HB   THR   9           HB       THR   9  -4.399   4.522  -8.307
   47    HG1  THR   9           1HG      THR   9  -6.295   4.167  -7.446
   48   1HG2  THR   9          1HG2      THR   9  -3.343   2.498  -8.432
   49   2HG2  THR   9          2HG2      THR   9  -4.770   1.948  -7.554
   50   3HG2  THR   9          3HG2      THR   9  -3.281   2.307  -6.679
   51    H    GLY  10           H        GLY  10  -4.700   2.885  -5.355
   52   1HA   GLY  10          2HA       GLY  10  -4.731   4.116  -2.669
   53   2HA   GLY  10          1HA       GLY  10  -5.652   2.696  -3.165
   54    H    PHE  11           H        PHE  11  -2.162   3.535  -3.122
   55    HA   PHE  11           HA       PHE  11  -1.521   0.830  -2.137
   56   1HB   PHE  11          2HB       PHE  11  -0.392   3.054  -3.688
   57   2HB   PHE  11          1HB       PHE  11   0.737   2.325  -2.592
   58    HD1  PHE  11           1HD      PHE  11  -1.978   1.100  -4.886
   59    HD2  PHE  11           2HD      PHE  11   2.085   0.672  -3.572
   60    HE1  PHE  11           1HE      PHE  11  -1.625  -0.712  -6.539
   61    HE2  PHE  11           2HE      PHE  11   2.431  -1.145  -5.211
   62    HZ   PHE  11           HZ       PHE  11   0.578  -1.835  -6.703
   63    H    MET  12           H        MET  12  -1.417   0.697   0.118
   64    HA   MET  12           HA       MET  12  -0.775   3.152   1.679
   65   1HB   MET  12          2HB       MET  12  -2.662   1.179   1.928
   66   2HB   MET  12          1HB       MET  12  -1.414   0.604   3.036
   67   1HG   MET  12          2HG       MET  12  -2.969   2.060   4.239
   68   2HG   MET  12          1HG       MET  12  -1.391   2.840   4.128
   69   1HE   MET  12          1HE       MET  12  -3.660   5.903   3.900
   70   2HE   MET  12          2HE       MET  12  -2.395   5.029   4.759
   71   3HE   MET  12          3HE       MET  12  -4.055   4.442   4.817
   72    H    ARG  13           H        ARG  13   1.290   3.415   2.388
   73    HA   ARG  13           HA       ARG  13   3.487   1.797   1.920
   74   1HB   ARG  13          2HB       ARG  13   2.781   4.071   3.482
   75   2HB   ARG  13          1HB       ARG  13   3.749   3.011   4.508
   76   1HG   ARG  13          2HG       ARG  13   5.342   4.359   3.388
   77   2HG   ARG  13          1HG       ARG  13   5.353   2.835   2.497
   78   1HD   ARG  13          2HD       ARG  13   5.008   4.146   0.659
   79   2HD   ARG  13          1HD       ARG  13   3.332   4.249   1.237
   80    HE   ARG  13           HE       ARG  13   5.454   6.234   1.961
   81   1HH1  ARG  13          1HH2      ARG  13   3.537   7.102  -0.101
   82   2HH1  ARG  13          2HH2      ARG  13   2.291   7.874   0.823
   83   1HH2  ARG  13          1HH1      ARG  13   3.264   6.438   3.826
   84   2HH2  ARG  13          2HH1      ARG  13   2.137   7.497   3.046
   85    H    THR  14           H        THR  14   4.126  -0.189   2.650
   86    HA   THR  14           HA       THR  14   2.594  -1.496   4.820
   87    HB   THR  14           HB       THR  14   4.596  -3.201   3.863
   88    HG1  THR  14           1HG      THR  14   3.497  -2.073   1.578
   89   1HG2  THR  14          1HG2      THR  14   2.600  -3.962   2.341
   90   2HG2  THR  14          2HG2      THR  14   1.699  -2.737   3.234
   91   3HG2  THR  14          3HG2      THR  14   2.449  -4.081   4.094
   92    H    ALA  15           H        ALA  15   3.581  -2.229   6.754
   93    HA   ALA  15           HA       ALA  15   5.438  -0.713   8.113
   94   1HB   ALA  15          1HB       ALA  15   4.732  -3.641   8.150
   95   2HB   ALA  15          2HB       ALA  15   4.262  -2.380   9.291
   96   3HB   ALA  15          3HB       ALA  15   5.914  -2.998   9.290
   97    H    ASP  16           H        ASP  16   6.128  -3.168   5.682
   98    HA   ASP  16           HA       ASP  16   8.947  -3.450   6.246
   99   1HB   ASP  16          2HB       ASP  16   6.938  -4.324   4.330
  100   2HB   ASP  16          1HB       ASP  16   8.468  -3.966   3.528
  101    H    GLY  17           H        GLY  17   7.105  -0.927   4.838
  102   1HA   GLY  17          2HA       GLY  17   8.039   1.227   4.294
  103   2HA   GLY  17          1HA       GLY  17   9.604   0.454   4.036
  104    H    ARG  18           H        ARG  18   6.439  -0.486   2.698
  105    HA   ARG  18           HA       ARG  18   7.441   0.274  -0.020
  106   1HB   ARG  18          2HB       ARG  18   6.285  -2.395   0.846
  107   2HB   ARG  18          1HB       ARG  18   6.756  -1.973  -0.801
  108   1HG   ARG  18          2HG       ARG  18   9.067  -1.397   0.275
  109   2HG   ARG  18          1HG       ARG  18   8.503  -2.404   1.610
  110   1HD   ARG  18          2HD       ARG  18   8.649  -4.339   0.381
  111   2HD   ARG  18          1HD       ARG  18   8.151  -3.537  -1.122
  112    HE   ARG  18           HE       ARG  18  10.461  -2.493  -1.147
  113   1HH1  ARG  18          1HH2      ARG  18   9.904  -5.730  -0.634
  114   2HH1  ARG  18          2HH2      ARG  18  11.485  -6.106  -0.038
  115   1HH2  ARG  18          1HH1      ARG  18  12.469  -2.790   0.204
  116   2HH2  ARG  18          2HH1      ARG  18  12.939  -4.441   0.436
  117    H    CYS  19           H        CYS  19   5.675   0.408  -1.623
  118    HA   CYS  19           HA       CYS  19   3.159   1.386  -0.431
  119   1HB   CYS  19          2HB       CYS  19   4.250   1.232  -3.257
  120   2HB   CYS  19          1HB       CYS  19   2.837   2.160  -2.755
  121    H    LYS  20           H        LYS  20   1.484  -0.046  -0.154
  122    HA   LYS  20           HA       LYS  20   1.207  -2.296  -2.124
  123   1HB   LYS  20          2HB       LYS  20   2.026  -3.112   0.010
  124   2HB   LYS  20          1HB       LYS  20   0.793  -2.198   0.880
  125   1HG   LYS  20          2HG       LYS  20  -0.955  -3.592   0.097
  126   2HG   LYS  20          1HG       LYS  20   0.054  -4.281  -1.176
  127   1HD   LYS  20          2HD       LYS  20   1.540  -5.196   0.697
  128   2HD   LYS  20          1HD       LYS  20   0.232  -4.769   1.802
  129   1HE   LYS  20          2HE       LYS  20  -1.301  -6.266   0.710
  130   2HE   LYS  20          1HE       LYS  20  -0.179  -6.522  -0.642
  131   1HZ   LYS  20          1HZ       LYS  20  -0.023  -7.514   2.113
  132   2HZ   LYS  20          2HZ       LYS  20   1.431  -7.145   1.315
  133   3HZ   LYS  20          3HZ       LYS  20   0.370  -8.299   0.662
  134    HA   PRO  21           HA       PRO  21  -2.754  -0.390  -2.619
  135   1HB   PRO  21          2HB       PRO  21  -3.796  -2.262  -4.332
  136   2HB   PRO  21          1HB       PRO  21  -2.718  -0.952  -4.823
  137   1HG   PRO  21          2HG       PRO  21  -2.150  -3.809  -4.448
  138   2HG   PRO  21          1HG       PRO  21  -1.367  -2.647  -5.506
  139   1HD   PRO  21          2HD       PRO  21  -0.352  -3.612  -3.101
  140   2HD   PRO  21          1HD       PRO  21   0.212  -2.170  -3.959
  141    H    THR  22           H        THR  22  -4.656  -0.554  -1.584
  142    HA   THR  22           HA       THR  22  -5.047  -2.673   0.365
  143    HB   THR  22           HB       THR  22  -6.770  -1.222   1.130
  144    HG1  THR  22           1HG      THR  22  -6.807   0.206  -1.281
  145   1HG2  THR  22          1HG2      THR  22  -4.333  -0.238   0.842
  146   2HG2  THR  22          2HG2      THR  22  -5.655   0.814   1.345
  147   3HG2  THR  22          3HG2      THR  22  -5.119   0.812  -0.335
  148    H    PHE  23           H        PHE  23  -5.743  -2.521  -2.925
  149    HA   PHE  23           HA       PHE  23  -8.368  -3.826  -2.864
  150   1HB   PHE  23          2HB       PHE  23  -7.425  -2.267  -4.645
  151   2HB   PHE  23          1HB       PHE  23  -6.378  -3.598  -5.137
  152    HD1  PHE  23           1HD      PHE  23  -7.182  -5.314  -6.548
  153    HD2  PHE  23           2HD      PHE  23  -9.959  -2.680  -4.598
  154    HE1  PHE  23           1HE      PHE  23  -9.036  -6.287  -7.875
  155    HE2  PHE  23           2HE      PHE  23 -11.814  -3.654  -5.927
  156    HZ   PHE  23           HZ       PHE  23 -11.352  -5.457  -7.564
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1  -3.491  10.335   8.768
    2   2H    GLU   1          2HT       GLU   1  -3.918  11.695   9.692
    3   3H    GLU   1          3HT       GLU   1  -3.402  11.884   8.084
    4    HA   GLU   1           HA       GLU   1  -5.919  10.559   8.964
    5   1HB   GLU   1          2HB       GLU   1  -5.876  12.993   9.238
    6   2HB   GLU   1          1HB       GLU   1  -5.249  13.187   7.600
    7   1HG   GLU   1          2HG       GLU   1  -7.275  12.515   6.610
    8   2HG   GLU   1          1HG       GLU   1  -7.843  11.736   8.086
    9    H    ASN   2           H        ASN   2  -3.406  10.424   6.774
   10    HA   ASN   2           HA       ASN   2  -4.711   8.677   4.948
   11   1HB   ASN   2          2HB       ASN   2  -5.382  11.428   4.673
   12   2HB   ASN   2          1HB       ASN   2  -4.369  11.006   3.292
   13   1HD2  ASN   2          1HD2      ASN   2  -6.392  11.205   1.950
   14   2HD2  ASN   2          2HD2      ASN   2  -7.492   9.913   1.920
   15    H    PHE   3           H        PHE   3  -3.100   7.656   3.800
   16    HA   PHE   3           HA       PHE   3  -0.430   9.017   3.654
   17   1HB   PHE   3          2HB       PHE   3  -1.408   6.340   4.403
   18   2HB   PHE   3          1HB       PHE   3  -0.015   6.312   3.321
   19    HD1  PHE   3           1HD      PHE   3  -0.869   8.907   5.858
   20    HD2  PHE   3           2HD      PHE   3   1.749   5.676   4.779
   21    HE1  PHE   3           1HE      PHE   3   0.619   9.478   7.758
   22    HE2  PHE   3           2HE      PHE   3   3.237   6.247   6.679
   23    HZ   PHE   3           HZ       PHE   3   2.673   8.148   8.168
   24    H    ALA   4           H        ALA   4   0.659   8.967   1.649
   25    HA   ALA   4           HA       ALA   4  -0.004   7.347  -0.598
   26   1HB   ALA   4          1HB       ALA   4  -1.875   9.420   0.044
   27   2HB   ALA   4          2HB       ALA   4  -1.920   8.303  -1.320
   28   3HB   ALA   4          3HB       ALA   4  -1.084   9.849  -1.473
   29    H    GLY   5           H        GLY   5   2.392   8.329   0.503
   30   1HA   GLY   5          2HA       GLY   5   3.348  10.676  -0.891
   31   2HA   GLY   5          1HA       GLY   5   4.357   9.506  -0.039
   32    H    GLY   6           H        GLY   6   5.631   8.227  -1.291
   33   1HA   GLY   6          2HA       GLY   6   5.287   8.344  -4.218
   34   2HA   GLY   6          1HA       GLY   6   6.661   7.641  -3.365
   35    H    CYS   7           H        CYS   7   3.152   7.076  -3.792
   36    HA   CYS   7           HA       CYS   7   3.778   4.152  -4.020
   37   1HB   CYS   7          2HB       CYS   7   1.627   5.562  -2.413
   38   2HB   CYS   7          1HB       CYS   7   1.666   3.822  -2.678
   39    H    ALA   8           H        ALA   8   1.443   3.097  -4.700
   40    HA   ALA   8           HA       ALA   8   0.789   4.378  -7.279
   41   1HB   ALA   8          1HB       ALA   8  -0.742   2.034  -6.760
   42   2HB   ALA   8          2HB       ALA   8   0.880   1.753  -6.125
   43   3HB   ALA   8          3HB       ALA   8   0.660   2.195  -7.816
   44    H    THR   9           H        THR   9  -1.814   3.768  -7.700
   45    HA   THR   9           HA       THR   9  -3.376   5.798  -6.727
   46    HB   THR   9           HB       THR   9  -4.325   4.430  -8.371
   47    HG1  THR   9           1HG      THR   9  -6.018   4.809  -7.090
   48   1HG2  THR   9          1HG2      THR   9  -3.414   2.368  -8.529
   49   2HG2  THR   9          2HG2      THR   9  -4.672   1.854  -7.406
   50   3HG2  THR   9          3HG2      THR   9  -3.077   2.300  -6.799
   51    H    GLY  10           H        GLY  10  -4.635   2.834  -5.391
   52   1HA   GLY  10          2HA       GLY  10  -4.700   4.123  -2.727
   53   2HA   GLY  10          1HA       GLY  10  -5.636   2.709  -3.210
   54    H    PHE  11           H        PHE  11  -2.136   3.498  -3.147
   55    HA   PHE  11           HA       PHE  11  -1.537   0.798  -2.122
   56   1HB   PHE  11          2HB       PHE  11  -0.363   3.004  -3.678
   57   2HB   PHE  11          1HB       PHE  11   0.743   2.251  -2.574
   58    HD1  PHE  11           1HD      PHE  11  -1.969   1.081  -4.902
   59    HD2  PHE  11           2HD      PHE  11   2.072   0.580  -3.537
   60    HE1  PHE  11           1HE      PHE  11  -1.625  -0.725  -6.560
   61    HE2  PHE  11           2HE      PHE  11   2.406  -1.233  -5.184
   62    HZ   PHE  11           HZ       PHE  11   0.562  -1.882  -6.703
   63    H    MET  12           H        MET  12  -1.360   0.674   0.135
   64    HA   MET  12           HA       MET  12  -0.758   3.152   1.674
   65   1HB   MET  12          2HB       MET  12  -2.723   1.702   2.199
   66   2HB   MET  12          1HB       MET  12  -1.616   0.372   2.542
   67   1HG   MET  12          2HG       MET  12  -1.209   1.162   4.610
   68   2HG   MET  12          1HG       MET  12  -0.802   2.755   3.972
   69   1HE   MET  12          1HE       MET  12  -2.084   1.765   6.582
   70   2HE   MET  12          2HE       MET  12  -3.565   2.646   6.947
   71   3HE   MET  12          3HE       MET  12  -2.094   3.534   6.560
   72    H    ARG  13           H        ARG  13   1.253   3.444   2.560
   73    HA   ARG  13           HA       ARG  13   3.495   1.832   1.996
   74   1HB   ARG  13          2HB       ARG  13   2.875   3.749   4.263
   75   2HB   ARG  13          1HB       ARG  13   4.494   3.141   3.919
   76   1HG   ARG  13          2HG       ARG  13   3.217   4.124   1.504
   77   2HG   ARG  13          1HG       ARG  13   3.268   5.373   2.748
   78   1HD   ARG  13          2HD       ARG  13   5.785   4.311   2.979
   79   2HD   ARG  13          1HD       ARG  13   5.493   4.152   1.235
   80    HE   ARG  13           HE       ARG  13   4.556   6.700   1.903
   81   1HH1  ARG  13          1HH2      ARG  13   6.716   6.436  -0.068
   82   2HH1  ARG  13          2HH2      ARG  13   8.069   7.173   0.726
   83   1HH2  ARG  13          1HH1      ARG  13   6.648   7.007   3.885
   84   2HH2  ARG  13          2HH1      ARG  13   8.032   7.495   2.961
   85    H    THR  14           H        THR  14   4.037  -0.171   2.745
   86    HA   THR  14           HA       THR  14   2.599  -1.296   5.080
   87    HB   THR  14           HB       THR  14   4.431  -3.149   4.027
   88    HG1  THR  14           1HG      THR  14   4.813  -2.493   2.091
   89   1HG2  THR  14          1HG2      THR  14   1.576  -2.717   3.125
   90   2HG2  THR  14          2HG2      THR  14   2.004  -3.424   4.683
   91   3HG2  THR  14          3HG2      THR  14   2.462  -4.241   3.189
   92    H    ALA  15           H        ALA  15   3.713  -2.153   6.913
   93    HA   ALA  15           HA       ALA  15   5.725  -0.707   8.140
   94   1HB   ALA  15          1HB       ALA  15   4.717  -2.284   9.498
   95   2HB   ALA  15          2HB       ALA  15   6.213  -3.147   9.143
   96   3HB   ALA  15          3HB       ALA  15   4.742  -3.527   8.247
   97    H    ASP  16           H        ASP  16   6.108  -3.130   5.621
   98    HA   ASP  16           HA       ASP  16   8.945  -3.565   5.957
   99   1HB   ASP  16          2HB       ASP  16   6.864  -3.972   3.820
  100   2HB   ASP  16          1HB       ASP  16   8.564  -4.254   3.443
  101    H    GLY  17           H        GLY  17   7.212  -0.836   4.991
  102   1HA   GLY  17          2HA       GLY  17   8.103   1.257   4.310
  103   2HA   GLY  17          1HA       GLY  17   9.658   0.470   4.027
  104    H    ARG  18           H        ARG  18   6.477  -0.450   2.737
  105    HA   ARG  18           HA       ARG  18   7.421   0.329   0.008
  106   1HB   ARG  18          2HB       ARG  18   6.569  -2.369   1.057
  107   2HB   ARG  18          1HB       ARG  18   6.486  -1.988  -0.664
  108   1HG   ARG  18          2HG       ARG  18   8.889  -1.415  -0.654
  109   2HG   ARG  18          1HG       ARG  18   8.973  -1.807   1.064
  110   1HD   ARG  18          2HD       ARG  18   9.436  -3.941   0.450
  111   2HD   ARG  18          1HD       ARG  18   7.769  -4.053  -0.151
  112    HE   ARG  18           HE       ARG  18   9.280  -2.658  -2.103
  113   1HH1  ARG  18          1HH1      ARG  18   7.660  -5.369  -2.135
  114   2HH1  ARG  18          2HH1      ARG  18   8.853  -6.395  -2.857
  115   1HH2  ARG  18          1HH2      ARG  18  11.452  -4.146  -2.395
  116   2HH2  ARG  18          2HH2      ARG  18  11.001  -5.703  -3.004
  117    H    CYS  19           H        CYS  19   5.630   0.371  -1.572
  118    HA   CYS  19           HA       CYS  19   3.110   1.324  -0.359
  119   1HB   CYS  19          2HB       CYS  19   4.207   1.210  -3.184
  120   2HB   CYS  19          1HB       CYS  19   2.760   2.090  -2.688
  121    H    LYS  20           H        LYS  20   1.331   0.002  -0.247
  122    HA   LYS  20           HA       LYS  20   1.134  -2.294  -2.166
  123   1HB   LYS  20          2HB       LYS  20   1.911  -2.686   0.319
  124   2HB   LYS  20          1HB       LYS  20   0.201  -2.458   0.690
  125   1HG   LYS  20          2HG       LYS  20  -0.433  -4.284  -0.747
  126   2HG   LYS  20          1HG       LYS  20   1.204  -4.417  -1.390
  127   1HD   LYS  20          2HD       LYS  20   1.174  -6.128   0.205
  128   2HD   LYS  20          1HD       LYS  20   1.873  -4.790   1.116
  129   1HE   LYS  20          2HE       LYS  20   0.154  -5.725   2.521
  130   2HE   LYS  20          1HE       LYS  20  -0.533  -4.233   1.847
  131   1HZ   LYS  20          1HZ       LYS  20  -2.160  -5.620   1.165
  132   2HZ   LYS  20          2HZ       LYS  20  -1.178  -7.003   1.243
  133   3HZ   LYS  20          3HZ       LYS  20  -1.084  -5.966  -0.098
  134    HA   PRO  21           HA       PRO  21  -2.816  -0.394  -2.691
  135   1HB   PRO  21          2HB       PRO  21  -3.855  -2.253  -4.415
  136   2HB   PRO  21          1HB       PRO  21  -2.752  -0.959  -4.893
  137   1HG   PRO  21          2HG       PRO  21  -2.231  -3.821  -4.520
  138   2HG   PRO  21          1HG       PRO  21  -1.408  -2.666  -5.554
  139   1HD   PRO  21          2HD       PRO  21  -0.473  -3.662  -3.118
  140   2HD   PRO  21          1HD       PRO  21   0.157  -2.247  -3.979
  141    H    THR  22           H        THR  22  -4.753  -0.557  -1.706
  142    HA   THR  22           HA       THR  22  -5.197  -2.697   0.224
  143    HB   THR  22           HB       THR  22  -6.885  -1.219   1.002
  144    HG1  THR  22           1HG      THR  22  -6.881   0.065  -1.518
  145   1HG2  THR  22          1HG2      THR  22  -5.701   0.741   1.294
  146   2HG2  THR  22          2HG2      THR  22  -5.283   0.866  -0.415
  147   3HG2  THR  22          3HG2      THR  22  -4.410  -0.257   0.628
  148    H    PHE  23           H        PHE  23  -5.257  -4.261  -1.849
  149    HA   PHE  23           HA       PHE  23  -8.113  -4.890  -2.290
  150   1HB   PHE  23          2HB       PHE  23  -7.428  -3.231  -4.037
  151   2HB   PHE  23          1HB       PHE  23  -6.176  -4.354  -4.565
  152    HD1  PHE  23           1HD      PHE  23  -6.933  -4.960  -6.738
  153    HD2  PHE  23           2HD      PHE  23  -9.609  -5.190  -3.385
  154    HE1  PHE  23           1HE      PHE  23  -8.594  -6.148  -8.145
  155    HE2  PHE  23           2HE      PHE  23 -11.270  -6.378  -4.792
  156    HZ   PHE  23           HZ       PHE  23 -10.763  -6.858  -7.171
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1   9.341   1.570 -11.934
    2   2H    GLU   1          2HT       GLU   1   9.237   3.236 -12.247
    3   3H    GLU   1          3HT       GLU   1   7.854   2.369 -11.776
    4    HA   GLU   1           HA       GLU   1   9.340   3.807 -10.076
    5   1HB   GLU   1          2HB       GLU   1   7.068   2.664  -9.920
    6   2HB   GLU   1          1HB       GLU   1   7.929   1.203  -9.434
    7   1HG   GLU   1          2HG       GLU   1   8.906   3.433  -7.899
    8   2HG   GLU   1          1HG       GLU   1   7.146   3.370  -7.782
    9    H    ASN   2           H        ASN   2  11.311   3.605  -9.081
   10    HA   ASN   2           HA       ASN   2  12.507   0.865  -8.846
   11   1HB   ASN   2          2HB       ASN   2  13.335   2.460 -10.720
   12   2HB   ASN   2          1HB       ASN   2  14.072   3.385  -9.412
   13   1HD2  ASN   2          1HD2      ASN   2  15.593   1.960 -11.458
   14   2HD2  ASN   2          2HD2      ASN   2  16.479   0.745 -10.671
   15    H    PHE   3           H        PHE   3  11.969   0.767  -6.589
   16    HA   PHE   3           HA       PHE   3  12.158   1.318  -4.286
   17   1HB   PHE   3          2HB       PHE   3  14.490   0.634  -5.386
   18   2HB   PHE   3          1HB       PHE   3  14.906   2.294  -4.960
   19    HD1  PHE   3           1HD      PHE   3  14.751  -1.036  -3.776
   20    HD2  PHE   3           2HD      PHE   3  14.209   3.034  -2.513
   21    HE1  PHE   3           1HE      PHE   3  15.084  -1.723  -1.416
   22    HE2  PHE   3           2HE      PHE   3  14.543   2.346  -0.155
   23    HZ   PHE   3           HZ       PHE   3  14.980  -0.032   0.394
   24    H    ALA   4           H        ALA   4  10.664   3.276  -4.900
   25    HA   ALA   4           HA       ALA   4  12.143   5.843  -4.420
   26   1HB   ALA   4          1HB       ALA   4  11.022   6.543  -6.250
   27   2HB   ALA   4          2HB       ALA   4   9.498   6.249  -5.411
   28   3HB   ALA   4          3HB       ALA   4  10.235   4.969  -6.376
   29    H    GLY   5           H        GLY   5   9.924   7.400  -3.738
   30   1HA   GLY   5          2HA       GLY   5   9.016   6.106  -1.196
   31   2HA   GLY   5          1HA       GLY   5   9.383   7.826  -1.327
   32    H    GLY   6           H        GLY   6   7.914   6.830  -4.162
   33   1HA   GLY   6          2HA       GLY   6   5.347   8.030  -3.273
   34   2HA   GLY   6          1HA       GLY   6   5.862   7.840  -4.950
   35    H    CYS   7           H        CYS   7   3.364   6.928  -3.543
   36    HA   CYS   7           HA       CYS   7   3.626   3.974  -3.982
   37   1HB   CYS   7          2HB       CYS   7   1.721   5.692  -2.363
   38   2HB   CYS   7          1HB       CYS   7   1.533   3.952  -2.557
   39    H    ALA   8           H        ALA   8   1.506   2.992  -4.857
   40    HA   ALA   8           HA       ALA   8   0.751   4.422  -7.300
   41   1HB   ALA   8          1HB       ALA   8   0.795   1.752  -6.252
   42   2HB   ALA   8          2HB       ALA   8   0.555   2.267  -7.921
   43   3HB   ALA   8          3HB       ALA   8  -0.830   2.100  -6.843
   44    H    THR   9           H        THR   9  -1.878   3.848  -7.678
   45    HA   THR   9           HA       THR   9  -3.379   5.888  -6.626
   46    HB   THR   9           HB       THR   9  -4.379   4.576  -8.288
   47    HG1  THR   9           1HG      THR   9  -6.021   4.990  -6.929
   48   1HG2  THR   9          1HG2      THR   9  -3.385   2.528  -8.441
   49   2HG2  THR   9          2HG2      THR   9  -4.791   2.003  -7.515
   50   3HG2  THR   9          3HG2      THR   9  -3.270   2.341  -6.690
   51    H    GLY  10           H        GLY  10  -4.705   2.938  -5.344
   52   1HA   GLY  10          2HA       GLY  10  -4.701   4.152  -2.651
   53   2HA   GLY  10          1HA       GLY  10  -5.641   2.745  -3.148
   54    H    PHE  11           H        PHE  11  -2.142   3.528  -3.157
   55    HA   PHE  11           HA       PHE  11  -1.522   0.814  -2.182
   56   1HB   PHE  11          2HB       PHE  11  -0.396   3.034  -3.747
   57   2HB   PHE  11          1HB       PHE  11   0.745   2.296  -2.670
   58    HD1  PHE  11           1HD      PHE  11  -1.984   1.133  -4.981
   59    HD2  PHE  11           2HD      PHE  11   2.053   0.602  -3.625
   60    HE1  PHE  11           1HE      PHE  11  -1.653  -0.672  -6.644
   61    HE2  PHE  11           2HE      PHE  11   2.375  -1.208  -5.276
   62    HZ   PHE  11           HZ       PHE  11   0.524  -1.842  -6.795
   63    H    MET  12           H        MET  12  -1.312   0.661   0.072
   64    HA   MET  12           HA       MET  12  -0.673   3.122   1.626
   65   1HB   MET  12          2HB       MET  12  -2.609   1.880   2.336
   66   2HB   MET  12          1HB       MET  12  -1.717   0.358   2.297
   67   1HG   MET  12          2HG       MET  12  -0.934   0.677   4.385
   68   2HG   MET  12          1HG       MET  12  -0.382   2.304   3.990
   69   1HE   MET  12          1HE       MET  12  -1.248   4.265   4.537
   70   2HE   MET  12          2HE       MET  12  -2.833   4.690   5.175
   71   3HE   MET  12          3HE       MET  12  -2.664   4.252   3.477
   72    H    ARG  13           H        ARG  13   1.273   3.342   2.696
   73    HA   ARG  13           HA       ARG  13   3.547   1.786   2.017
   74   1HB   ARG  13          2HB       ARG  13   3.036   4.148   3.248
   75   2HB   ARG  13          1HB       ARG  13   3.474   3.166   4.647
   76   1HG   ARG  13          2HG       ARG  13   5.465   4.261   3.688
   77   2HG   ARG  13          1HG       ARG  13   5.574   2.507   3.527
   78   1HD   ARG  13          2HD       ARG  13   5.654   2.660   1.267
   79   2HD   ARG  13          1HD       ARG  13   4.210   3.693   1.237
   80    HE   ARG  13           HE       ARG  13   5.622   5.628   1.424
   81   1HH1  ARG  13          1HH1      ARG  13   7.253   3.261  -0.070
   82   2HH1  ARG  13          2HH1      ARG  13   8.841   3.697   0.467
   83   1HH2  ARG  13          1HH2      ARG  13   7.706   5.934   2.861
   84   2HH2  ARG  13          2HH2      ARG  13   9.098   5.210   2.127
   85    H    THR  14           H        THR  14   4.191  -0.203   2.743
   86    HA   THR  14           HA       THR  14   2.706  -1.499   4.948
   87    HB   THR  14           HB       THR  14   4.718  -3.191   3.980
   88    HG1  THR  14           1HG      THR  14   4.054  -2.768   1.619
   89   1HG2  THR  14          1HG2      THR  14   2.905  -4.369   2.957
   90   2HG2  THR  14          2HG2      THR  14   1.950  -2.894   2.803
   91   3HG2  THR  14          3HG2      THR  14   2.241  -3.594   4.395
   92    H    ALA  15           H        ALA  15   3.776  -2.329   6.827
   93    HA   ALA  15           HA       ALA  15   5.557  -0.763   8.229
   94   1HB   ALA  15          1HB       ALA  15   4.236  -2.953   8.785
   95   2HB   ALA  15          2HB       ALA  15   5.715  -2.603   9.681
   96   3HB   ALA  15          3HB       ALA  15   5.742  -3.763   8.352
   97    H    ASP  16           H        ASP  16   6.398  -3.202   5.801
   98    HA   ASP  16           HA       ASP  16   9.242  -3.197   6.316
   99   1HB   ASP  16          2HB       ASP  16   7.490  -4.704   4.896
  100   2HB   ASP  16          1HB       ASP  16   8.192  -3.746   3.590
  101    H    GLY  17           H        GLY  17   7.162  -0.893   4.894
  102   1HA   GLY  17          2HA       GLY  17   7.880   1.305   4.231
  103   2HA   GLY  17          1HA       GLY  17   9.504   0.667   3.966
  104    H    ARG  18           H        ARG  18   6.334  -0.448   2.747
  105    HA   ARG  18           HA       ARG  18   7.304   0.137  -0.029
  106   1HB   ARG  18          2HB       ARG  18   6.074  -2.452   0.962
  107   2HB   ARG  18          1HB       ARG  18   6.628  -2.128  -0.680
  108   1HG   ARG  18          2HG       ARG  18   8.924  -1.839   0.114
  109   2HG   ARG  18          1HG       ARG  18   8.397  -2.063   1.783
  110   1HD   ARG  18          2HD       ARG  18   9.353  -4.164   0.865
  111   2HD   ARG  18          1HD       ARG  18   7.622  -4.364   1.207
  112    HE   ARG  18           HE       ARG  18   7.169  -4.258  -1.156
  113   1HH1  ARG  18          1HH1      ARG  18   9.649  -6.006  -1.163
  114   2HH1  ARG  18          2HH1      ARG  18  10.591  -5.258  -2.410
  115   1HH2  ARG  18          1HH2      ARG  18   8.740  -2.326  -2.417
  116   2HH2  ARG  18          2HH2      ARG  18  10.077  -3.175  -3.120
  117    H    CYS  19           H        CYS  19   5.567   0.331  -1.590
  118    HA   CYS  19           HA       CYS  19   3.039   1.310  -0.422
  119   1HB   CYS  19          2HB       CYS  19   4.191   1.195  -3.225
  120   2HB   CYS  19          1HB       CYS  19   2.744   2.089  -2.759
  121    H    LYS  20           H        LYS  20   1.334  -0.094  -0.213
  122    HA   LYS  20           HA       LYS  20   1.075  -2.317  -2.213
  123   1HB   LYS  20          2HB       LYS  20   1.856  -3.094  -0.003
  124   2HB   LYS  20          1HB       LYS  20   0.481  -2.302   0.766
  125   1HG   LYS  20          2HG       LYS  20  -1.069  -3.735  -0.497
  126   2HG   LYS  20          1HG       LYS  20   0.294  -4.517  -1.297
  127   1HD   LYS  20          2HD       LYS  20   0.910  -4.691   1.420
  128   2HD   LYS  20          1HD       LYS  20  -0.822  -5.018   1.346
  129   1HE   LYS  20          2HE       LYS  20   0.021  -7.158   0.942
  130   2HE   LYS  20          1HE       LYS  20  -0.074  -6.546  -0.721
  131   1HZ   LYS  20          1HZ       LYS  20   2.180  -7.458   0.310
  132   2HZ   LYS  20          2HZ       LYS  20   2.300  -5.841   0.818
  133   3HZ   LYS  20          3HZ       LYS  20   2.149  -6.206  -0.834
  134    HA   PRO  21           HA       PRO  21  -2.835  -0.341  -2.759
  135   1HB   PRO  21          2HB       PRO  21  -3.892  -2.178  -4.499
  136   2HB   PRO  21          1HB       PRO  21  -2.776  -0.893  -4.965
  137   1HG   PRO  21          2HG       PRO  21  -2.283  -3.763  -4.597
  138   2HG   PRO  21          1HG       PRO  21  -1.454  -2.616  -5.635
  139   1HD   PRO  21          2HD       PRO  21  -0.506  -3.618  -3.215
  140   2HD   PRO  21          1HD       PRO  21   0.110  -2.187  -4.057
  141    H    THR  22           H        THR  22  -4.764  -0.474  -1.759
  142    HA   THR  22           HA       THR  22  -5.250  -2.551   0.190
  143    HB   THR  22           HB       THR  22  -7.068  -1.132   0.796
  144    HG1  THR  22           1HG      THR  22  -6.965   0.241  -1.644
  145   1HG2  THR  22          1HG2      THR  22  -4.571  -0.085   0.440
  146   2HG2  THR  22          2HG2      THR  22  -5.907   0.795   1.182
  147   3HG2  THR  22          3HG2      THR  22  -5.537   1.029  -0.526
  148    H    PHE  23           H        PHE  23  -6.416  -1.904  -3.074
  149    HA   PHE  23           HA       PHE  23  -8.294  -4.226  -2.866
  150   1HB   PHE  23          2HB       PHE  23  -8.615  -1.646  -3.782
  151   2HB   PHE  23          1HB       PHE  23  -8.309  -2.531  -5.276
  152    HD1  PHE  23           1HD      PHE  23 -10.566  -2.153  -2.388
  153    HD2  PHE  23           2HD      PHE  23  -9.832  -4.271  -6.053
  154    HE1  PHE  23           1HE      PHE  23 -12.884  -3.037  -2.343
  155    HE2  PHE  23           2HE      PHE  23 -12.149  -5.154  -6.007
  156    HZ   PHE  23           HZ       PHE  23 -13.675  -4.537  -4.153
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1  17.314  14.189   2.786
    2   2H    GLU   1          2HT       GLU   1  18.178  15.647   2.888
    3   3H    GLU   1          3HT       GLU   1  18.949  14.237   2.338
    4    HA   GLU   1           HA       GLU   1  16.694  15.573   0.927
    5   1HB   GLU   1          2HB       GLU   1  19.422  16.287   1.254
    6   2HB   GLU   1          1HB       GLU   1  19.264  15.637  -0.378
    7   1HG   GLU   1          2HG       GLU   1  18.643  17.816  -0.801
    8   2HG   GLU   1          1HG       GLU   1  17.066  17.162  -0.359
    9    H    ASN   2           H        ASN   2  16.113  13.072   1.076
   10    HA   ASN   2           HA       ASN   2  17.431  11.704  -1.249
   11   1HB   ASN   2          2HB       ASN   2  17.658  10.947   1.315
   12   2HB   ASN   2          1HB       ASN   2  16.122  10.162   0.948
   13   1HD2  ASN   2          1HD2      ASN   2  16.875   9.786  -1.943
   14   2HD2  ASN   2          2HD2      ASN   2  18.001   8.516  -1.953
   15    H    PHE   3           H        PHE   3  15.589  12.864  -2.428
   16    HA   PHE   3           HA       PHE   3  13.445  12.813  -3.430
   17   1HB   PHE   3          2HB       PHE   3  13.541   9.927  -2.516
   18   2HB   PHE   3          1HB       PHE   3  12.751  10.573  -3.954
   19    HD1  PHE   3           1HD      PHE   3  14.684  12.333  -5.158
   20    HD2  PHE   3           2HD      PHE   3  15.328   8.576  -3.178
   21    HE1  PHE   3           1HE      PHE   3  16.773  12.008  -6.455
   22    HE2  PHE   3           2HE      PHE   3  17.417   8.249  -4.474
   23    HZ   PHE   3           HZ       PHE   3  18.139   9.966  -6.113
   24    H    ALA   4           H        ALA   4  11.062  12.015  -2.926
   25    HA   ALA   4           HA       ALA   4  10.569  12.493  -0.007
   26   1HB   ALA   4          1HB       ALA   4   8.243  13.115  -1.131
   27   2HB   ALA   4          2HB       ALA   4   9.234  13.260  -2.582
   28   3HB   ALA   4          3HB       ALA   4   9.587  14.256  -1.170
   29    H    GLY   5           H        GLY   5  10.011  10.336  -2.700
   30   1HA   GLY   5          2HA       GLY   5   9.370   8.036  -2.467
   31   2HA   GLY   5          1HA       GLY   5   8.762   8.395  -0.849
   32    H    GLY   6           H        GLY   6   7.178   6.933  -2.598
   33   1HA   GLY   6          2HA       GLY   6   4.746   8.442  -2.594
   34   2HA   GLY   6          1HA       GLY   6   5.393   8.395  -4.234
   35    H    CYS   7           H        CYS   7   2.938   7.145  -3.404
   36    HA   CYS   7           HA       CYS   7   3.655   4.258  -3.812
   37   1HB   CYS   7          2HB       CYS   7   1.518   5.613  -2.150
   38   2HB   CYS   7          1HB       CYS   7   1.479   3.892  -2.518
   39    H    ALA   8           H        ALA   8   1.651   3.061  -4.785
   40    HA   ALA   8           HA       ALA   8   0.889   4.423  -7.243
   41   1HB   ALA   8          1HB       ALA   8   0.960   1.778  -6.113
   42   2HB   ALA   8          2HB       ALA   8   0.818   2.243  -7.807
   43   3HB   ALA   8          3HB       ALA   8  -0.631   2.065  -6.819
   44    H    THR   9           H        THR   9  -1.705   3.765  -7.711
   45    HA   THR   9           HA       THR   9  -3.309   5.776  -6.776
   46    HB   THR   9           HB       THR   9  -4.193   4.369  -8.429
   47    HG1  THR   9           1HG      THR   9  -6.123   3.867  -7.626
   48   1HG2  THR   9          1HG2      THR   9  -3.253   2.312  -8.502
   49   2HG2  THR   9          2HG2      THR   9  -4.575   1.817  -7.445
   50   3HG2  THR   9          3HG2      THR   9  -3.015   2.267  -6.754
   51    H    GLY  10           H        GLY  10  -4.609   2.843  -5.433
   52   1HA   GLY  10          2HA       GLY  10  -4.670   4.152  -2.778
   53   2HA   GLY  10          1HA       GLY  10  -5.629   2.750  -3.257
   54    H    PHE  11           H        PHE  11  -2.118   3.489  -3.165
   55    HA   PHE  11           HA       PHE  11  -1.559   0.775  -2.159
   56   1HB   PHE  11          2HB       PHE  11  -0.343   3.006  -3.651
   57   2HB   PHE  11          1HB       PHE  11   0.741   2.207  -2.559
   58    HD1  PHE  11           1HD      PHE  11   2.049   0.537  -3.555
   59    HD2  PHE  11           2HD      PHE  11  -1.961   1.150  -4.953
   60    HE1  PHE  11           1HE      PHE  11   2.379  -1.230  -5.251
   61    HE2  PHE  11           2HE      PHE  11  -1.629  -0.625  -6.651
   62    HZ   PHE  11           HZ       PHE  11   0.541  -1.812  -6.804
   63    H    MET  12           H        MET  12  -1.328   0.582   0.086
   64    HA   MET  12           HA       MET  12  -0.813   3.037   1.693
   65   1HB   MET  12          2HB       MET  12  -2.737   1.557   2.206
   66   2HB   MET  12          1HB       MET  12  -1.624   0.211   2.455
   67   1HG   MET  12          2HG       MET  12  -0.470   1.687   4.206
   68   2HG   MET  12          1HG       MET  12  -1.884   2.736   4.096
   69   1HE   MET  12          1HE       MET  12  -2.048   1.623   7.225
   70   2HE   MET  12          2HE       MET  12  -3.742   1.731   6.753
   71   3HE   MET  12          3HE       MET  12  -2.561   2.819   6.027
   72    H    ARG  13           H        ARG  13   1.159   3.360   2.633
   73    HA   ARG  13           HA       ARG  13   3.467   1.840   2.035
   74   1HB   ARG  13          2HB       ARG  13   2.908   4.227   3.161
   75   2HB   ARG  13          1HB       ARG  13   3.304   3.316   4.619
   76   1HG   ARG  13          2HG       ARG  13   5.359   4.276   3.835
   77   2HG   ARG  13          1HG       ARG  13   5.422   2.559   3.438
   78   1HD   ARG  13          2HD       ARG  13   5.601   3.031   1.231
   79   2HD   ARG  13          1HD       ARG  13   4.145   4.046   1.295
   80    HE   ARG  13           HE       ARG  13   5.537   5.942   1.569
   81   1HH1  ARG  13          1HH2      ARG  13   7.681   4.607   0.039
   82   2HH1  ARG  13          2HH2      ARG  13   9.026   4.657   1.131
   83   1HH2  ARG  13          1HH1      ARG  13   7.077   5.325   3.921
   84   2HH2  ARG  13          2HH1      ARG  13   8.683   5.066   3.328
   85    H    THR  14           H        THR  14   4.145  -0.116   2.807
   86    HA   THR  14           HA       THR  14   2.741  -1.321   5.128
   87    HB   THR  14           HB       THR  14   4.391  -3.237   4.228
   88    HG1  THR  14           1HG      THR  14   5.463  -1.914   2.772
   89   1HG2  THR  14          1HG2      THR  14   2.198  -2.663   2.322
   90   2HG2  THR  14          2HG2      THR  14   1.736  -2.715   4.024
   91   3HG2  THR  14          3HG2      THR  14   2.511  -4.112   3.278
   92    H    ALA  15           H        ALA  15   3.842  -1.899   7.037
   93    HA   ALA  15           HA       ALA  15   5.881  -0.368   8.099
   94   1HB   ALA  15          1HB       ALA  15   6.305  -2.936   9.128
   95   2HB   ALA  15          2HB       ALA  15   4.629  -2.957   8.579
   96   3HB   ALA  15          3HB       ALA  15   5.159  -1.745   9.745
   97    H    ASP  16           H        ASP  16   6.215  -3.032   5.830
   98    HA   ASP  16           HA       ASP  16   9.048  -3.466   6.188
   99   1HB   ASP  16          2HB       ASP  16   6.836  -4.333   4.505
  100   2HB   ASP  16          1HB       ASP  16   8.316  -4.142   3.564
  101    H    GLY  17           H        GLY  17   7.339  -0.834   4.938
  102   1HA   GLY  17          2HA       GLY  17   8.310   1.172   4.088
  103   2HA   GLY  17          1HA       GLY  17   9.811   0.293   3.797
  104    H    ARG  18           H        ARG  18   6.460  -0.321   2.699
  105    HA   ARG  18           HA       ARG  18   7.342   0.142  -0.107
  106   1HB   ARG  18          2HB       ARG  18   6.401  -2.452   1.120
  107   2HB   ARG  18          1HB       ARG  18   6.305  -2.160  -0.617
  108   1HG   ARG  18          2HG       ARG  18   8.865  -1.836   0.969
  109   2HG   ARG  18          1HG       ARG  18   8.419  -3.338   0.158
  110   1HD   ARG  18          2HD       ARG  18   8.191  -0.925  -1.540
  111   2HD   ARG  18          1HD       ARG  18   9.846  -1.345  -1.054
  112    HE   ARG  18           HE       ARG  18   8.052  -3.475  -2.131
  113   1HH1  ARG  18          1HH1      ARG  18  10.971  -3.916  -1.466
  114   2HH1  ARG  18          2HH1      ARG  18  11.704  -3.815  -3.031
  115   1HH2  ARG  18          1HH2      ARG  18   8.953  -2.308  -4.512
  116   2HH2  ARG  18          2HH2      ARG  18  10.561  -2.905  -4.757
  117    H    CYS  19           H        CYS  19   5.490   0.201  -1.603
  118    HA   CYS  19           HA       CYS  19   3.029   1.226  -0.298
  119   1HB   CYS  19          2HB       CYS  19   4.110   1.203  -3.132
  120   2HB   CYS  19          1HB       CYS  19   2.645   2.042  -2.625
  121    H    LYS  20           H        LYS  20   1.231  -0.094  -0.199
  122    HA   LYS  20           HA       LYS  20   1.022  -2.346  -2.174
  123   1HB   LYS  20          2HB       LYS  20   1.765  -2.935   0.194
  124   2HB   LYS  20          1HB       LYS  20   0.173  -2.402   0.735
  125   1HG   LYS  20          2HG       LYS  20  -0.936  -4.104  -0.496
  126   2HG   LYS  20          1HG       LYS  20   0.502  -4.457  -1.454
  127   1HD   LYS  20          2HD       LYS  20   1.612  -5.470   0.396
  128   2HD   LYS  20          1HD       LYS  20   0.437  -4.828   1.545
  129   1HE   LYS  20          2HE       LYS  20  -0.389  -6.991   1.329
  130   2HE   LYS  20          1HE       LYS  20  -1.252  -6.226  -0.021
  131   1HZ   LYS  20          1HZ       LYS  20   0.137  -8.311  -0.514
  132   2HZ   LYS  20          2HZ       LYS  20   1.484  -7.284  -0.372
  133   3HZ   LYS  20          3HZ       LYS  20   0.299  -6.981  -1.553
  134    HA   PRO  21           HA       PRO  21  -2.872  -0.357  -2.802
  135   1HB   PRO  21          2HB       PRO  21  -3.890  -2.181  -4.579
  136   2HB   PRO  21          1HB       PRO  21  -2.767  -0.889  -5.009
  137   1HG   PRO  21          2HG       PRO  21  -2.277  -3.764  -4.656
  138   2HG   PRO  21          1HG       PRO  21  -1.428  -2.605  -5.666
  139   1HD   PRO  21          2HD       PRO  21  -0.527  -3.627  -3.236
  140   2HD   PRO  21          1HD       PRO  21   0.101  -2.186  -4.052
  141    H    THR  22           H        THR  22  -4.761  -0.470  -1.759
  142    HA   THR  22           HA       THR  22  -5.316  -2.585   0.123
  143    HB   THR  22           HB       THR  22  -7.133  -1.141   0.718
  144    HG1  THR  22           1HG      THR  22  -6.882   0.269  -1.701
  145   1HG2  THR  22          1HG2      THR  22  -5.737   0.515   1.339
  146   2HG2  THR  22          2HG2      THR  22  -5.701   1.138  -0.312
  147   3HG2  THR  22          3HG2      THR  22  -4.548  -0.098   0.189
  148    H    PHE  23           H        PHE  23  -6.146  -2.066  -3.207
  149    HA   PHE  23           HA       PHE  23  -8.311  -4.129  -3.059
  150   1HB   PHE  23          2HB       PHE  23  -7.554  -1.973  -5.049
  151   2HB   PHE  23          1HB       PHE  23  -8.802  -3.175  -5.372
  152    HD1  PHE  23           1HD      PHE  23 -10.545  -3.485  -3.350
  153    HD2  PHE  23           2HD      PHE  23  -8.231   0.051  -4.121
  154    HE1  PHE  23           1HE      PHE  23 -12.184  -2.133  -2.072
  155    HE2  PHE  23           2HE      PHE  23  -9.870   1.403  -2.841
  156    HZ   PHE  23           HZ       PHE  23 -11.847   0.311  -1.816
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1  18.534   7.229  -3.702
    2   2H    GLU   1          2HT       GLU   1  19.578   6.080  -3.012
    3   3H    GLU   1          3HT       GLU   1  20.090   7.007  -4.340
    4    HA   GLU   1           HA       GLU   1  19.838   7.788  -1.515
    5   1HB   GLU   1          2HB       GLU   1  21.789   7.540  -3.691
    6   2HB   GLU   1          1HB       GLU   1  21.913   9.078  -2.836
    7   1HG   GLU   1          2HG       GLU   1  21.883   6.351  -1.509
    8   2HG   GLU   1          1HG       GLU   1  23.326   7.328  -1.786
    9    H    ASN   2           H        ASN   2  18.949   8.833  -4.704
   10    HA   ASN   2           HA       ASN   2  18.966  11.698  -4.123
   11   1HB   ASN   2          2HB       ASN   2  17.850   9.922  -6.306
   12   2HB   ASN   2          1HB       ASN   2  17.673  11.677  -6.331
   13   1HD2  ASN   2          1HD2      ASN   2  19.513   9.431  -7.758
   14   2HD2  ASN   2          2HD2      ASN   2  21.010  10.228  -7.822
   15    H    PHE   3           H        PHE   3  17.600  10.770  -2.011
   16    HA   PHE   3           HA       PHE   3  15.539  10.969  -0.867
   17   1HB   PHE   3          2HB       PHE   3  15.812  13.087  -2.488
   18   2HB   PHE   3          1HB       PHE   3  14.394  12.366  -3.249
   19    HD1  PHE   3           1HD      PHE   3  15.410  12.377   0.351
   20    HD2  PHE   3           2HD      PHE   3  12.587  13.726  -2.592
   21    HE1  PHE   3           1HE      PHE   3  13.974  13.298   2.150
   22    HE2  PHE   3           2HE      PHE   3  11.150  14.647  -0.792
   23    HZ   PHE   3           HZ       PHE   3  11.845  14.433   1.579
   24    H    ALA   4           H        ALA   4  13.272  10.172  -0.959
   25    HA   ALA   4           HA       ALA   4  12.197   8.854  -3.291
   26   1HB   ALA   4          1HB       ALA   4  12.602   6.509  -2.338
   27   2HB   ALA   4          2HB       ALA   4  13.776   7.259  -1.257
   28   3HB   ALA   4          3HB       ALA   4  14.017   7.324  -3.003
   29    H    GLY   5           H        GLY   5  10.055   8.212  -2.879
   30   1HA   GLY   5          2HA       GLY   5   8.833   7.305  -0.596
   31   2HA   GLY   5          1HA       GLY   5   8.922   9.045  -0.315
   32    H    GLY   6           H        GLY   6   7.473   6.536  -2.288
   33   1HA   GLY   6          2HA       GLY   6   5.195   8.250  -2.873
   34   2HA   GLY   6          1HA       GLY   6   6.181   7.930  -4.302
   35    H    CYS   7           H        CYS   7   3.450   7.012  -3.871
   36    HA   CYS   7           HA       CYS   7   3.948   4.071  -4.099
   37   1HB   CYS   7          2HB       CYS   7   1.873   5.504  -2.410
   38   2HB   CYS   7          1HB       CYS   7   1.884   3.763  -2.692
   39    H    ALA   8           H        ALA   8   1.361   3.247  -4.570
   40    HA   ALA   8           HA       ALA   8   0.751   4.604  -7.150
   41   1HB   ALA   8          1HB       ALA   8  -0.788   2.252  -6.741
   42   2HB   ALA   8          2HB       ALA   8   0.833   1.916  -6.131
   43   3HB   ALA   8          3HB       ALA   8   0.610   2.450  -7.796
   44    H    THR   9           H        THR   9  -1.854   4.068  -7.554
   45    HA   THR   9           HA       THR   9  -3.367   6.046  -6.398
   46    HB   THR   9           HB       THR   9  -4.340   4.845  -8.157
   47    HG1  THR   9           1HG      THR   9  -5.670   5.072  -6.058
   48   1HG2  THR   9          1HG2      THR   9  -4.766   2.243  -7.644
   49   2HG2  THR   9          2HG2      THR   9  -3.330   2.482  -6.650
   50   3HG2  THR   9          3HG2      THR   9  -3.272   2.822  -8.380
   51    H    GLY  10           H        GLY  10  -4.749   3.045  -5.332
   52   1HA   GLY  10          2HA       GLY  10  -4.819   4.082  -2.577
   53   2HA   GLY  10          1HA       GLY  10  -5.700   2.678  -3.178
   54    H    PHE  11           H        PHE  11  -2.221   3.548  -3.047
   55    HA   PHE  11           HA       PHE  11  -1.570   0.814  -2.161
   56   1HB   PHE  11          2HB       PHE  11  -0.439   3.105  -3.616
   57   2HB   PHE  11          1HB       PHE  11   0.688   2.321  -2.554
   58    HD1  PHE  11           1HD      PHE  11   2.019   0.685  -3.601
   59    HD2  PHE  11           2HD      PHE  11  -2.036   1.229  -4.905
   60    HE1  PHE  11           1HE      PHE  11   2.342  -1.060  -5.322
   61    HE2  PHE  11           2HE      PHE  11  -1.709  -0.523  -6.624
   62    HZ   PHE  11           HZ       PHE  11   0.479  -1.664  -6.837
   63    H    MET  12           H        MET  12  -1.425   0.577   0.077
   64    HA   MET  12           HA       MET  12  -0.876   2.986   1.739
   65   1HB   MET  12          2HB       MET  12  -2.811   1.296   2.031
   66   2HB   MET  12          1HB       MET  12  -1.582   0.197   2.658
   67   1HG   MET  12          2HG       MET  12  -1.681   1.221   4.657
   68   2HG   MET  12          1HG       MET  12  -1.201   2.741   3.902
   69   1HE   MET  12          1HE       MET  12  -5.501   1.154   4.034
   70   2HE   MET  12          2HE       MET  12  -4.299   0.543   5.167
   71   3HE   MET  12          3HE       MET  12  -4.047   0.342   3.435
   72    H    ARG  13           H        ARG  13   1.267   3.318   2.153
   73    HA   ARG  13           HA       ARG  13   3.450   1.679   1.766
   74   1HB   ARG  13          2HB       ARG  13   2.786   3.733   3.877
   75   2HB   ARG  13          1HB       ARG  13   4.391   3.007   3.781
   76   1HG   ARG  13          2HG       ARG  13   3.567   3.789   1.143
   77   2HG   ARG  13          1HG       ARG  13   3.367   5.160   2.235
   78   1HD   ARG  13          2HD       ARG  13   5.831   4.004   2.963
   79   2HD   ARG  13          1HD       ARG  13   5.824   4.031   1.188
   80    HE   ARG  13           HE       ARG  13   4.873   6.491   1.670
   81   1HH1  ARG  13          1HH2      ARG  13   7.815   4.951   2.218
   82   2HH1  ARG  13          2HH2      ARG  13   8.526   6.251   3.116
   83   1HH2  ARG  13          1HH1      ARG  13   5.591   8.093   3.276
   84   2HH2  ARG  13          2HH1      ARG  13   7.265   8.030   3.716
   85    H    THR  14           H        THR  14   4.078  -0.270   2.614
   86    HA   THR  14           HA       THR  14   2.611  -1.386   4.927
   87    HB   THR  14           HB       THR  14   4.252  -3.340   4.212
   88    HG1  THR  14           1HG      THR  14   5.519  -2.719   2.676
   89   1HG2  THR  14          1HG2      THR  14   2.307  -4.097   3.383
   90   2HG2  THR  14          2HG2      THR  14   2.516  -3.083   1.955
   91   3HG2  THR  14          3HG2      THR  14   1.677  -2.450   3.371
   92    H    ALA  15           H        ALA  15   3.600  -1.858   6.917
   93    HA   ALA  15           HA       ALA  15   5.530  -0.272   8.063
   94   1HB   ALA  15          1HB       ALA  15   5.901  -2.952   9.017
   95   2HB   ALA  15          2HB       ALA  15   4.204  -2.743   8.587
   96   3HB   ALA  15          3HB       ALA  15   4.959  -1.654   9.751
   97    H    ASP  16           H        ASP  16   6.112  -2.944   5.853
   98    HA   ASP  16           HA       ASP  16   8.927  -3.279   6.414
   99   1HB   ASP  16          2HB       ASP  16   6.889  -4.137   4.467
  100   2HB   ASP  16          1HB       ASP  16   8.520  -4.055   3.801
  101    H    GLY  17           H        GLY  17   7.126  -0.864   4.747
  102   1HA   GLY  17          2HA       GLY  17   8.141   1.235   4.088
  103   2HA   GLY  17          1HA       GLY  17   9.667   0.385   3.844
  104    H    ARG  18           H        ARG  18   6.451  -0.565   2.647
  105    HA   ARG  18           HA       ARG  18   7.399   0.013  -0.135
  106   1HB   ARG  18          2HB       ARG  18   6.202  -2.566   0.921
  107   2HB   ARG  18          1HB       ARG  18   6.592  -2.248  -0.770
  108   1HG   ARG  18          2HG       ARG  18   8.574  -2.236   1.527
  109   2HG   ARG  18          1HG       ARG  18   8.408  -3.514   0.321
  110   1HD   ARG  18          2HD       ARG  18   8.652  -1.125  -1.162
  111   2HD   ARG  18          1HD       ARG  18   9.879  -1.028   0.117
  112    HE   ARG  18           HE       ARG  18   9.601  -3.395  -1.700
  113   1HH1  ARG  18          1HH1      ARG  18  11.258  -2.192   0.956
  114   2HH1  ARG  18          2HH1      ARG  18  12.844  -2.487   0.326
  115   1HH2  ARG  18          1HH2      ARG  18  11.713  -3.359  -2.835
  116   2HH2  ARG  18          2HH2      ARG  18  13.103  -3.146  -1.823
  117    H    CYS  19           H        CYS  19   5.652   0.219  -1.676
  118    HA   CYS  19           HA       CYS  19   3.142   1.235  -0.494
  119   1HB   CYS  19          2HB       CYS  19   4.264   1.126  -3.309
  120   2HB   CYS  19          1HB       CYS  19   2.879   2.088  -2.790
  121    H    LYS  20           H        LYS  20   1.474  -0.215  -0.241
  122    HA   LYS  20           HA       LYS  20   1.153  -2.364  -2.313
  123   1HB   LYS  20          2HB       LYS  20   1.302  -2.388   0.646
  124   2HB   LYS  20          1HB       LYS  20   0.025  -3.389  -0.046
  125   1HG   LYS  20          2HG       LYS  20   2.826  -3.507  -1.148
  126   2HG   LYS  20          1HG       LYS  20   2.381  -4.449   0.275
  127   1HD   LYS  20          2HD       LYS  20   0.291  -4.842  -1.573
  128   2HD   LYS  20          1HD       LYS  20   1.782  -4.972  -2.506
  129   1HE   LYS  20          2HE       LYS  20   2.530  -6.433  -0.379
  130   2HE   LYS  20          1HE       LYS  20   0.780  -6.716  -0.302
  131   1HZ   LYS  20          1HZ       LYS  20   0.815  -7.245  -2.674
  132   2HZ   LYS  20          2HZ       LYS  20   1.812  -8.303  -1.795
  133   3HZ   LYS  20          3HZ       LYS  20   2.498  -7.044  -2.706
  134    HA   PRO  21           HA       PRO  21  -2.793  -0.397  -2.662
  135   1HB   PRO  21          2HB       PRO  21  -3.874  -2.158  -4.461
  136   2HB   PRO  21          1HB       PRO  21  -2.783  -0.838  -4.892
  137   1HG   PRO  21          2HG       PRO  21  -2.249  -3.715  -4.680
  138   2HG   PRO  21          1HG       PRO  21  -1.461  -2.507  -5.680
  139   1HD   PRO  21          2HD       PRO  21  -0.438  -3.617  -3.339
  140   2HD   PRO  21          1HD       PRO  21   0.140  -2.140  -4.127
  141    H    THR  22           H        THR  22  -4.628  -0.574  -1.550
  142    HA   THR  22           HA       THR  22  -5.069  -2.773   0.273
  143    HB   THR  22           HB       THR  22  -6.826  -1.356   1.054
  144    HG1  THR  22           1HG      THR  22  -6.752   0.059  -1.389
  145   1HG2  THR  22          1HG2      THR  22  -5.132   0.740  -0.263
  146   2HG2  THR  22          2HG2      THR  22  -4.367  -0.378   0.865
  147   3HG2  THR  22          3HG2      THR  22  -5.697   0.647   1.406
  148    H    PHE  23           H        PHE  23  -5.058  -4.106  -2.083
  149    HA   PHE  23           HA       PHE  23  -7.921  -4.438  -2.897
  150   1HB   PHE  23          2HB       PHE  23  -6.031  -3.844  -4.531
  151   2HB   PHE  23          1HB       PHE  23  -5.430  -5.480  -4.265
  152    HD1  PHE  23           1HD      PHE  23  -8.246  -3.469  -5.579
  153    HD2  PHE  23           2HD      PHE  23  -6.589  -7.408  -5.145
  154    HE1  PHE  23           1HE      PHE  23  -9.888  -4.340  -7.219
  155    HE2  PHE  23           2HE      PHE  23  -8.233  -8.281  -6.784
  156    HZ   PHE  23           HZ       PHE  23  -9.882  -6.746  -7.822
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1  -4.459   9.806   1.603
    2   2H    GLU   1          2HT       GLU   1  -4.557  11.497   1.727
    3   3H    GLU   1          3HT       GLU   1  -5.975  10.568   1.610
    4    HA   GLU   1           HA       GLU   1  -4.967  11.460   3.934
    5   1HB   GLU   1          2HB       GLU   1  -7.194  10.461   3.292
    6   2HB   GLU   1          1HB       GLU   1  -6.461   8.864   3.451
    7   1HG   GLU   1          2HG       GLU   1  -7.016   8.955   5.637
    8   2HG   GLU   1          1HG       GLU   1  -5.747  10.169   5.810
    9    H    ASN   2           H        ASN   2  -2.610  10.374   2.747
   10    HA   ASN   2           HA       ASN   2  -1.739   8.573   4.927
   11   1HB   ASN   2          2HB       ASN   2  -0.883   6.939   3.186
   12   2HB   ASN   2          1HB       ASN   2  -2.642   7.022   3.305
   13   1HD2  ASN   2          1HD2      ASN   2  -2.320   6.129   0.943
   14   2HD2  ASN   2          2HD2      ASN   2  -2.201   7.294  -0.285
   15    H    PHE   3           H        PHE   3   0.706   8.108   4.608
   16    HA   PHE   3           HA       PHE   3   2.220  10.460   4.508
   17   1HB   PHE   3          2HB       PHE   3   2.858   8.169   5.348
   18   2HB   PHE   3          1HB       PHE   3   3.104   7.681   3.672
   19    HD1  PHE   3           1HD      PHE   3   3.998  10.650   5.802
   20    HD2  PHE   3           2HD      PHE   3   5.320   7.694   2.979
   21    HE1  PHE   3           1HE      PHE   3   6.278  11.625   5.849
   22    HE2  PHE   3           2HE      PHE   3   7.600   8.669   3.025
   23    HZ   PHE   3           HZ       PHE   3   8.078  10.634   4.460
   24    H    ALA   4           H        ALA   4   3.942  10.990   2.820
   25    HA   ALA   4           HA       ALA   4   2.895  10.534   0.044
   26   1HB   ALA   4          1HB       ALA   4   3.835  12.910  -0.299
   27   2HB   ALA   4          2HB       ALA   4   3.934  12.997   1.460
   28   3HB   ALA   4          3HB       ALA   4   2.370  12.775   0.673
   29    H    GLY   5           H        GLY   5   4.631   8.697   0.440
   30   1HA   GLY   5          2HA       GLY   5   7.389   9.737   0.040
   31   2HA   GLY   5          1HA       GLY   5   6.979   8.077   0.475
   32    H    GLY   6           H        GLY   6   4.780   8.119  -1.610
   33   1HA   GLY   6          2HA       GLY   6   4.980   8.462  -4.140
   34   2HA   GLY   6          1HA       GLY   6   6.567   7.710  -3.974
   35    H    CYS   7           H        CYS   7   3.088   7.115  -3.691
   36    HA   CYS   7           HA       CYS   7   3.665   4.182  -3.981
   37   1HB   CYS   7          2HB       CYS   7   1.577   5.678  -2.369
   38   2HB   CYS   7          1HB       CYS   7   1.538   3.936  -2.621
   39    H    ALA   8           H        ALA   8   1.501   3.068  -4.778
   40    HA   ALA   8           HA       ALA   8   0.765   4.366  -7.305
   41   1HB   ALA   8          1HB       ALA   8   0.881   1.747  -6.146
   42   2HB   ALA   8          2HB       ALA   8   0.635   2.180  -7.837
   43   3HB   ALA   8          3HB       ALA   8  -0.751   2.012  -6.761
   44    H    THR   9           H        THR   9  -1.834   3.722  -7.716
   45    HA   THR   9           HA       THR   9  -3.415   5.749  -6.773
   46    HB   THR   9           HB       THR   9  -4.361   4.342  -8.384
   47    HG1  THR   9           1HG      THR   9  -6.038   4.731  -7.076
   48   1HG2  THR   9          1HG2      THR   9  -4.660   1.777  -7.352
   49   2HG2  THR   9          2HG2      THR   9  -3.057   2.259  -6.802
   50   3HG2  THR   9          3HG2      THR   9  -3.442   2.283  -8.523
   51    H    GLY  10           H        GLY  10  -4.623   2.789  -5.376
   52   1HA   GLY  10          2HA       GLY  10  -4.680   4.127  -2.733
   53   2HA   GLY  10          1HA       GLY  10  -5.622   2.706  -3.187
   54    H    PHE  11           H        PHE  11  -2.125   3.509  -3.140
   55    HA   PHE  11           HA       PHE  11  -1.509   0.816  -2.113
   56   1HB   PHE  11          2HB       PHE  11  -0.353   3.029  -3.673
   57   2HB   PHE  11          1HB       PHE  11   0.761   2.279  -2.574
   58    HD1  PHE  11           1HD      PHE  11  -1.976   1.065  -4.849
   59    HD2  PHE  11           2HD      PHE  11   2.105   0.645  -3.586
   60    HE1  PHE  11           1HE      PHE  11  -1.641  -0.747  -6.503
   61    HE2  PHE  11           2HE      PHE  11   2.432  -1.174  -5.226
   62    HZ   PHE  11           HZ       PHE  11   0.561  -1.866  -6.694
   63    H    MET  12           H        MET  12  -1.395   0.708   0.144
   64    HA   MET  12           HA       MET  12  -0.761   3.179   1.680
   65   1HB   MET  12          2HB       MET  12  -2.761   1.889   2.265
   66   2HB   MET  12          1HB       MET  12  -1.789   0.428   2.450
   67   1HG   MET  12          2HG       MET  12  -0.644   2.537   4.039
   68   2HG   MET  12          1HG       MET  12  -2.358   2.380   4.425
   69   1HE   MET  12          1HE       MET  12  -1.779   1.692   6.856
   70   2HE   MET  12          2HE       MET  12  -0.074   1.898   6.465
   71   3HE   MET  12          3HE       MET  12  -0.611   0.435   7.288
   72    H    ARG  13           H        ARG  13   1.283   3.449   2.455
   73    HA   ARG  13           HA       ARG  13   3.503   1.854   1.975
   74   1HB   ARG  13          2HB       ARG  13   3.023   4.207   3.172
   75   2HB   ARG  13          1HB       ARG  13   3.303   3.234   4.615
   76   1HG   ARG  13          2HG       ARG  13   5.413   4.222   3.845
   77   2HG   ARG  13          1HG       ARG  13   5.461   2.468   3.661
   78   1HD   ARG  13          2HD       ARG  13   5.830   2.698   1.441
   79   2HD   ARG  13          1HD       ARG  13   4.336   3.641   1.276
   80    HE   ARG  13           HE       ARG  13   5.632   5.618   1.384
   81   1HH1  ARG  13          1HH1      ARG  13   7.907   3.863   0.346
   82   2HH1  ARG  13          2HH1      ARG  13   9.173   4.270   1.456
   83   1HH2  ARG  13          1HH2      ARG  13   7.035   5.726   3.768
   84   2HH2  ARG  13          2HH2      ARG  13   8.678   5.325   3.396
   85    H    THR  14           H        THR  14   4.105  -0.153   2.662
   86    HA   THR  14           HA       THR  14   2.605  -1.471   4.842
   87    HB   THR  14           HB       THR  14   4.885  -2.663   3.291
   88    HG1  THR  14           1HG      THR  14   3.811  -1.697   1.660
   89   1HG2  THR  14          1HG2      THR  14   3.640  -3.970   4.998
   90   2HG2  THR  14          2HG2      THR  14   3.459  -4.644   3.378
   91   3HG2  THR  14          3HG2      THR  14   2.153  -3.697   4.091
   92    H    ALA  15           H        ALA  15   3.583  -2.115   6.795
   93    HA   ALA  15           HA       ALA  15   5.522  -0.621   8.067
   94   1HB   ALA  15          1HB       ALA  15   5.816  -3.409   8.773
   95   2HB   ALA  15          2HB       ALA  15   4.121  -3.049   8.446
   96   3HB   ALA  15          3HB       ALA  15   4.999  -2.127   9.667
   97    H    ASP  16           H        ASP  16   6.055  -3.128   5.668
   98    HA   ASP  16           HA       ASP  16   8.867  -3.550   6.195
   99   1HB   ASP  16          2HB       ASP  16   6.828  -4.189   4.130
  100   2HB   ASP  16          1HB       ASP  16   8.506  -4.226   3.589
  101    H    GLY  17           H        GLY  17   7.167  -0.906   4.898
  102   1HA   GLY  17          2HA       GLY  17   8.176   1.169   4.257
  103   2HA   GLY  17          1HA       GLY  17   9.702   0.322   4.004
  104    H    ARG  18           H        ARG  18   6.438  -0.320   2.689
  105    HA   ARG  18           HA       ARG  18   7.449   0.338  -0.037
  106   1HB   ARG  18          2HB       ARG  18   6.451  -2.352   0.939
  107   2HB   ARG  18          1HB       ARG  18   6.601  -1.942  -0.770
  108   1HG   ARG  18          2HG       ARG  18   8.998  -1.491  -0.468
  109   2HG   ARG  18          1HG       ARG  18   8.861  -1.862   1.251
  110   1HD   ARG  18          2HD       ARG  18   9.074  -4.078   0.832
  111   2HD   ARG  18          1HD       ARG  18   7.743  -4.022  -0.340
  112    HE   ARG  18           HE       ARG  18   9.928  -2.770  -1.590
  113   1HH1  ARG  18          1HH2      ARG  18   8.422  -5.744  -1.311
  114   2HH1  ARG  18          2HH2      ARG  18   9.751  -6.677  -1.915
  115   1HH2  ARG  18          1HH1      ARG  18  11.967  -4.010  -1.916
  116   2HH2  ARG  18          2HH1      ARG  18  11.759  -5.696  -2.254
  117    H    CYS  19           H        CYS  19   5.666   0.455  -1.620
  118    HA   CYS  19           HA       CYS  19   3.148   1.390  -0.394
  119   1HB   CYS  19          2HB       CYS  19   4.263   1.318  -3.214
  120   2HB   CYS  19          1HB       CYS  19   2.778   2.145  -2.742
  121    H    LYS  20           H        LYS  20   1.423  -0.001  -0.217
  122    HA   LYS  20           HA       LYS  20   1.202  -2.229  -2.212
  123   1HB   LYS  20          2HB       LYS  20   1.753  -2.364   0.553
  124   2HB   LYS  20          1HB       LYS  20   0.069  -2.860   0.378
  125   1HG   LYS  20          2HG       LYS  20   0.661  -4.556  -1.236
  126   2HG   LYS  20          1HG       LYS  20   2.325  -3.975  -1.308
  127   1HD   LYS  20          2HD       LYS  20   2.664  -4.590   1.044
  128   2HD   LYS  20          1HD       LYS  20   0.988  -5.127   1.157
  129   1HE   LYS  20          2HE       LYS  20   2.150  -7.143   0.742
  130   2HE   LYS  20          1HE       LYS  20   1.628  -6.664  -0.885
  131   1HZ   LYS  20          1HZ       LYS  20   3.697  -5.891  -1.432
  132   2HZ   LYS  20          2HZ       LYS  20   4.135  -7.172  -0.405
  133   3HZ   LYS  20          3HZ       LYS  20   4.137  -5.574   0.174
  134    HA   PRO  21           HA       PRO  21  -2.773  -0.387  -2.661
  135   1HB   PRO  21          2HB       PRO  21  -3.828  -2.271  -4.350
  136   2HB   PRO  21          1HB       PRO  21  -2.749  -0.969  -4.860
  137   1HG   PRO  21          2HG       PRO  21  -2.191  -3.823  -4.475
  138   2HG   PRO  21          1HG       PRO  21  -1.398  -2.668  -5.530
  139   1HD   PRO  21          2HD       PRO  21  -0.413  -3.640  -3.103
  140   2HD   PRO  21          1HD       PRO  21   0.192  -2.226  -3.982
  141    H    THR  22           H        THR  22  -4.641  -0.531  -1.574
  142    HA   THR  22           HA       THR  22  -5.048  -2.690   0.336
  143    HB   THR  22           HB       THR  22  -6.688  -1.204   1.196
  144    HG1  THR  22           1HG      THR  22  -6.767   0.212  -1.238
  145   1HG2  THR  22          1HG2      THR  22  -5.096   0.869  -0.258
  146   2HG2  THR  22          2HG2      THR  22  -4.220  -0.267   0.767
  147   3HG2  THR  22          3HG2      THR  22  -5.482   0.754   1.459
  148    H    PHE  23           H        PHE  23  -6.455  -1.724  -2.756
  149    HA   PHE  23           HA       PHE  23  -8.183  -4.177  -2.658
  150   1HB   PHE  23          2HB       PHE  23  -8.775  -1.349  -3.042
  151   2HB   PHE  23          1HB       PHE  23  -9.354  -2.319  -4.397
  152    HD1  PHE  23           1HD      PHE  23  -9.835  -1.446  -0.909
  153    HD2  PHE  23           2HD      PHE  23 -10.847  -4.308  -3.948
  154    HE1  PHE  23           1HE      PHE  23 -11.738  -2.240   0.470
  155    HE2  PHE  23           2HE      PHE  23 -12.749  -5.101  -2.569
  156    HZ   PHE  23           HZ       PHE  23 -13.194  -4.067  -0.359
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1  -5.443  20.205  -3.168
    2   2H    GLU   1          2HT       GLU   1  -5.386  18.846  -4.185
    3   3H    GLU   1          3HT       GLU   1  -4.720  20.322  -4.699
    4    HA   GLU   1           HA       GLU   1  -2.751  19.752  -3.855
    5   1HB   GLU   1          2HB       GLU   1  -2.647  19.590  -1.370
    6   2HB   GLU   1          1HB       GLU   1  -3.659  20.935  -1.898
    7   1HG   GLU   1          2HG       GLU   1  -5.450  18.828  -1.796
    8   2HG   GLU   1          1HG       GLU   1  -4.400  18.518  -0.413
    9    H    ASN   2           H        ASN   2  -1.447  17.881  -3.431
   10    HA   ASN   2           HA       ASN   2  -2.972  15.300  -3.255
   11   1HB   ASN   2          2HB       ASN   2  -1.398  14.412  -4.856
   12   2HB   ASN   2          1HB       ASN   2  -1.956  15.961  -5.489
   13   1HD2  ASN   2          1HD2      ASN   2  -0.226  17.114  -6.344
   14   2HD2  ASN   2          2HD2      ASN   2   1.339  17.158  -5.690
   15    H    PHE   3           H        PHE   3  -1.118  13.495  -2.752
   16    HA   PHE   3           HA       PHE   3   0.233  14.454  -0.260
   17   1HB   PHE   3          2HB       PHE   3  -1.436  12.710   0.035
   18   2HB   PHE   3          1HB       PHE   3  -0.698  11.735  -1.237
   19    HD1  PHE   3           1HD      PHE   3  -0.280  13.037   2.201
   20    HD2  PHE   3           2HD      PHE   3   1.319  10.463  -0.843
   21    HE1  PHE   3           1HE      PHE   3   1.245  12.014   3.866
   22    HE2  PHE   3           2HE      PHE   3   2.843   9.438   0.823
   23    HZ   PHE   3           HZ       PHE   3   2.806  10.215   3.178
   24    H    ALA   4           H        ALA   4   2.261  15.128  -1.061
   25    HA   ALA   4           HA       ALA   4   3.794  13.947  -3.114
   26   1HB   ALA   4          1HB       ALA   4   5.374  15.452  -2.383
   27   2HB   ALA   4          2HB       ALA   4   5.176  14.992  -0.692
   28   3HB   ALA   4          3HB       ALA   4   4.007  16.069  -1.456
   29    H    GLY   5           H        GLY   5   3.800  11.644  -2.994
   30   1HA   GLY   5          2HA       GLY   5   5.538  10.547  -0.839
   31   2HA   GLY   5          1HA       GLY   5   3.995   9.759  -1.175
   32    H    GLY   6           H        GLY   6   4.841   7.814  -1.984
   33   1HA   GLY   6          2HA       GLY   6   5.860   7.957  -4.737
   34   2HA   GLY   6          1HA       GLY   6   6.978   7.246  -3.571
   35    H    CYS   7           H        CYS   7   3.433   6.954  -3.659
   36    HA   CYS   7           HA       CYS   7   3.798   3.996  -4.026
   37   1HB   CYS   7          2HB       CYS   7   1.830   5.617  -2.381
   38   2HB   CYS   7          1HB       CYS   7   1.727   3.869  -2.591
   39    H    ALA   8           H        ALA   8   1.489   3.053  -4.723
   40    HA   ALA   8           HA       ALA   8   0.795   4.436  -7.234
   41   1HB   ALA   8          1HB       ALA   8   0.830   1.773  -6.155
   42   2HB   ALA   8          2HB       ALA   8   0.612   2.272  -7.831
   43   3HB   ALA   8          3HB       ALA   8  -0.787   2.121  -6.768
   44    H    THR   9           H        THR   9  -1.817   3.923  -7.635
   45    HA   THR   9           HA       THR   9  -3.296   5.958  -6.530
   46    HB   THR   9           HB       THR   9  -4.270   4.741  -8.277
   47    HG1  THR   9           1HG      THR   9  -6.096   4.893  -7.285
   48   1HG2  THR   9          1HG2      THR   9  -4.748   2.127  -7.451
   49   2HG2  THR   9          2HG2      THR   9  -3.125   2.467  -6.850
   50   3HG2  THR   9          3HG2      THR   9  -3.486   2.647  -8.568
   51    H    GLY  10           H        GLY  10  -4.704   2.980  -5.411
   52   1HA   GLY  10          2HA       GLY  10  -4.790   4.086  -2.681
   53   2HA   GLY  10          1HA       GLY  10  -5.672   2.670  -3.252
   54    H    PHE  11           H        PHE  11  -2.189   3.536  -3.107
   55    HA   PHE  11           HA       PHE  11  -1.559   0.821  -2.143
   56   1HB   PHE  11          2HB       PHE  11  -0.397   3.061  -3.653
   57   2HB   PHE  11          1HB       PHE  11   0.710   2.308  -2.551
   58    HD1  PHE  11           1HD      PHE  11   2.055   0.646  -3.532
   59    HD2  PHE  11           2HD      PHE  11  -1.981   1.141  -4.905
   60    HE1  PHE  11           1HE      PHE  11   2.406  -1.151  -5.189
   61    HE2  PHE  11           2HE      PHE  11  -1.628  -0.664  -6.563
   62    HZ   PHE  11           HZ       PHE  11   0.564  -1.807  -6.710
   63    H    MET  12           H        MET  12  -1.432   0.646   0.099
   64    HA   MET  12           HA       MET  12  -0.897   3.091   1.711
   65   1HB   MET  12          2HB       MET  12  -2.839   1.821   2.327
   66   2HB   MET  12          1HB       MET  12  -1.938   0.305   2.276
   67   1HG   MET  12          2HG       MET  12  -0.829   2.354   4.097
   68   2HG   MET  12          1HG       MET  12  -2.404   1.713   4.565
   69   1HE   MET  12          1HE       MET  12  -1.621  -0.954   6.585
   70   2HE   MET  12          2HE       MET  12  -2.279   0.653   6.287
   71   3HE   MET  12          3HE       MET  12  -0.651   0.482   6.934
   72    H    ARG  13           H        ARG  13   1.185   3.429   2.350
   73    HA   ARG  13           HA       ARG  13   3.428   1.872   1.939
   74   1HB   ARG  13          2HB       ARG  13   2.903   4.232   3.104
   75   2HB   ARG  13          1HB       ARG  13   3.184   3.280   4.563
   76   1HG   ARG  13          2HG       ARG  13   5.292   4.263   3.834
   77   2HG   ARG  13          1HG       ARG  13   5.356   2.516   3.597
   78   1HD   ARG  13          2HD       ARG  13   5.668   2.779   1.368
   79   2HD   ARG  13          1HD       ARG  13   4.244   3.833   1.251
   80    HE   ARG  13           HE       ARG  13   5.665   5.718   1.508
   81   1HH1  ARG  13          1HH2      ARG  13   7.629   3.468   0.412
   82   2HH1  ARG  13          2HH2      ARG  13   9.033   3.864   1.346
   83   1HH2  ARG  13          1HH1      ARG  13   7.318   5.941   3.531
   84   2HH2  ARG  13          2HH1      ARG  13   8.857   5.264   3.112
   85    H    THR  14           H        THR  14   4.083  -0.109   2.675
   86    HA   THR  14           HA       THR  14   2.579  -1.399   4.882
   87    HB   THR  14           HB       THR  14   4.442  -3.191   3.931
   88    HG1  THR  14           1HG      THR  14   3.964  -2.598   1.527
   89   1HG2  THR  14          1HG2      THR  14   2.570  -4.275   3.262
   90   2HG2  THR  14          2HG2      THR  14   2.083  -2.954   2.201
   91   3HG2  THR  14          3HG2      THR  14   1.701  -2.888   3.921
   92    H    ALA  15           H        ALA  15   3.627  -2.152   6.788
   93    HA   ALA  15           HA       ALA  15   5.549  -0.634   8.068
   94   1HB   ALA  15          1HB       ALA  15   5.555  -2.367   9.629
   95   2HB   ALA  15          2HB       ALA  15   5.582  -3.618   8.387
   96   3HB   ALA  15          3HB       ALA  15   4.089  -2.743   8.725
   97    H    ASP  16           H        ASP  16   6.093  -3.083   5.608
   98    HA   ASP  16           HA       ASP  16   8.925  -3.443   6.058
   99   1HB   ASP  16          2HB       ASP  16   6.820  -4.302   4.281
  100   2HB   ASP  16          1HB       ASP  16   8.243  -3.869   3.334
  101    H    GLY  17           H        GLY  17   7.145  -0.800   4.911
  102   1HA   GLY  17          2HA       GLY  17   8.046   1.307   4.248
  103   2HA   GLY  17          1HA       GLY  17   9.611   0.529   3.993
  104    H    ARG  18           H        ARG  18   6.495  -0.537   2.704
  105    HA   ARG  18           HA       ARG  18   7.448   0.177  -0.047
  106   1HB   ARG  18          2HB       ARG  18   6.318  -2.437   0.996
  107   2HB   ARG  18          1HB       ARG  18   6.613  -2.096  -0.709
  108   1HG   ARG  18          2HG       ARG  18   8.899  -1.536   1.077
  109   2HG   ARG  18          1HG       ARG  18   8.453  -3.239   0.956
  110   1HD   ARG  18          2HD       ARG  18   8.515  -1.764  -1.620
  111   2HD   ARG  18          1HD       ARG  18  10.088  -2.021  -0.839
  112    HE   ARG  18           HE       ARG  18   8.156  -4.240  -1.410
  113   1HH1  ARG  18          1HH2      ARG  18  10.577  -3.699  -3.182
  114   2HH1  ARG  18          2HH2      ARG  18  11.710  -4.852  -2.559
  115   1HH2  ARG  18          1HH1      ARG  18   9.939  -5.410   0.369
  116   2HH2  ARG  18          2HH1      ARG  18  11.350  -5.819  -0.550
  117    H    CYS  19           H        CYS  19   5.675   0.309  -1.619
  118    HA   CYS  19           HA       CYS  19   3.166   1.325  -0.429
  119   1HB   CYS  19          2HB       CYS  19   4.280   1.173  -3.246
  120   2HB   CYS  19          1HB       CYS  19   2.860   2.100  -2.759
  121    H    LYS  20           H        LYS  20   1.439  -0.060  -0.215
  122    HA   LYS  20           HA       LYS  20   1.184  -2.321  -2.173
  123   1HB   LYS  20          2HB       LYS  20   1.998  -2.717   0.299
  124   2HB   LYS  20          1HB       LYS  20   0.294  -2.494   0.695
  125   1HG   LYS  20          2HG       LYS  20   0.153  -4.204  -1.452
  126   2HG   LYS  20          1HG       LYS  20   1.626  -4.750  -0.648
  127   1HD   LYS  20          2HD       LYS  20   0.504  -5.262   1.345
  128   2HD   LYS  20          1HD       LYS  20  -0.861  -4.215   0.959
  129   1HE   LYS  20          2HE       LYS  20  -1.812  -6.277   0.460
  130   2HE   LYS  20          1HE       LYS  20  -1.066  -5.925  -1.113
  131   1HZ   LYS  20          1HZ       LYS  20  -0.143  -7.960  -0.639
  132   2HZ   LYS  20          2HZ       LYS  20  -0.117  -7.691   1.039
  133   3HZ   LYS  20          3HZ       LYS  20   1.024  -6.930   0.036
  134    HA   PRO  21           HA       PRO  21  -2.775  -0.409  -2.640
  135   1HB   PRO  21          2HB       PRO  21  -3.817  -2.242  -4.388
  136   2HB   PRO  21          1HB       PRO  21  -2.729  -0.931  -4.852
  137   1HG   PRO  21          2HG       PRO  21  -2.181  -3.795  -4.534
  138   2HG   PRO  21          1HG       PRO  21  -1.380  -2.616  -5.558
  139   1HD   PRO  21          2HD       PRO  21  -0.406  -3.645  -3.153
  140   2HD   PRO  21          1HD       PRO  21   0.196  -2.206  -3.991
  141    H    THR  22           H        THR  22  -4.594  -0.560  -1.501
  142    HA   THR  22           HA       THR  22  -5.026  -2.745   0.349
  143    HB   THR  22           HB       THR  22  -6.718  -1.289   1.181
  144    HG1  THR  22           1HG      THR  22  -6.706   0.138  -1.253
  145   1HG2  THR  22          1HG2      THR  22  -4.209  -0.336   0.728
  146   2HG2  THR  22          2HG2      THR  22  -5.450   0.574   1.588
  147   3HG2  THR  22          3HG2      THR  22  -5.165   0.874  -0.126
  148    H    PHE  23           H        PHE  23  -6.263  -1.912  -2.825
  149    HA   PHE  23           HA       PHE  23  -7.980  -4.366  -2.741
  150   1HB   PHE  23          2HB       PHE  23  -9.254  -2.222  -2.385
  151   2HB   PHE  23          1HB       PHE  23  -8.704  -1.688  -3.973
  152    HD1  PHE  23           1HD      PHE  23 -10.668  -1.686  -5.292
  153    HD2  PHE  23           2HD      PHE  23  -9.718  -5.114  -2.883
  154    HE1  PHE  23           1HE      PHE  23 -12.517  -2.949  -6.359
  155    HE2  PHE  23           2HE      PHE  23 -11.567  -6.375  -3.950
  156    HZ   PHE  23           HZ       PHE  23 -12.967  -5.292  -5.688
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1   3.309  20.428   0.662
    2   2H    GLU   1          2HT       GLU   1   3.848  21.083   2.133
    3   3H    GLU   1          3HT       GLU   1   4.629  19.730   1.466
    4    HA   GLU   1           HA       GLU   1   4.527  22.139  -0.191
    5   1HB   GLU   1          2HB       GLU   1   5.108  22.405   2.464
    6   2HB   GLU   1          1HB       GLU   1   6.701  22.012   1.817
    7   1HG   GLU   1          2HG       GLU   1   4.921  24.159   0.639
    8   2HG   GLU   1          1HG       GLU   1   6.155  24.486   1.857
    9    H    ASN   2           H        ASN   2   6.773  19.876   1.463
   10    HA   ASN   2           HA       ASN   2   7.925  19.231  -1.234
   11   1HB   ASN   2          2HB       ASN   2   9.332  20.674   0.251
   12   2HB   ASN   2          1HB       ASN   2   9.315  19.390   1.459
   13   1HD2  ASN   2          1HD2      ASN   2   9.649  19.147  -2.119
   14   2HD2  ASN   2          2HD2      ASN   2  11.150  18.357  -2.074
   15    H    PHE   3           H        PHE   3   6.202  17.443  -1.043
   16    HA   PHE   3           HA       PHE   3   6.374  15.389   0.952
   17   1HB   PHE   3          2HB       PHE   3   4.489  15.847  -0.636
   18   2HB   PHE   3          1HB       PHE   3   5.490  15.225  -1.948
   19    HD1  PHE   3           1HD      PHE   3   4.818  14.124   1.580
   20    HD2  PHE   3           2HD      PHE   3   4.836  13.086  -2.588
   21    HE1  PHE   3           1HE      PHE   3   4.138  11.809   2.155
   22    HE2  PHE   3           2HE      PHE   3   4.156  10.770  -2.014
   23    HZ   PHE   3           HZ       PHE   3   3.807  10.132   0.357
   24    H    ALA   4           H        ALA   4   7.260  13.197   0.643
   25    HA   ALA   4           HA       ALA   4   9.408  12.958  -1.414
   26   1HB   ALA   4          1HB       ALA   4  10.515  11.919   0.921
   27   2HB   ALA   4          2HB       ALA   4   9.666  13.363   1.474
   28   3HB   ALA   4          3HB       ALA   4  10.895  13.490   0.215
   29    H    GLY   5           H        GLY   5   9.011  11.029  -2.422
   30   1HA   GLY   5          2HA       GLY   5   9.083   8.558  -2.181
   31   2HA   GLY   5          1HA       GLY   5   8.088   8.740  -0.734
   32    H    GLY   6           H        GLY   6   5.976   8.274  -1.047
   33   1HA   GLY   6          2HA       GLY   6   3.858   8.775  -2.181
   34   2HA   GLY   6          1HA       GLY   6   4.760   8.943  -3.689
   35    H    CYS   7           H        CYS   7   2.588   7.273  -3.703
   36    HA   CYS   7           HA       CYS   7   3.872   4.632  -4.144
   37   1HB   CYS   7          2HB       CYS   7   1.608   5.244  -2.229
   38   2HB   CYS   7          1HB       CYS   7   1.938   3.614  -2.816
   39    H    ALA   8           H        ALA   8   1.812   3.105  -4.891
   40    HA   ALA   8           HA       ALA   8   0.870   4.294  -7.353
   41   1HB   ALA   8          1HB       ALA   8   0.802   2.085  -7.764
   42   2HB   ALA   8          2HB       ALA   8  -0.606   1.963  -6.711
   43   3HB   ALA   8          3HB       ALA   8   1.014   1.735  -6.050
   44    H    THR   9           H        THR   9  -1.703   3.750  -7.735
   45    HA   THR   9           HA       THR   9  -3.251   5.779  -6.744
   46    HB   THR   9           HB       THR   9  -4.167   4.424  -8.426
   47    HG1  THR   9           1HG      THR   9  -6.049   3.461  -7.421
   48   1HG2  THR   9          1HG2      THR   9  -2.965   2.294  -6.855
   49   2HG2  THR   9          2HG2      THR   9  -3.377   2.319  -8.570
   50   3HG2  THR   9          3HG2      THR   9  -4.593   1.864  -7.376
   51    H    GLY  10           H        GLY  10  -4.661   2.886  -5.465
   52   1HA   GLY  10          2HA       GLY  10  -4.719   4.129  -2.791
   53   2HA   GLY  10          1HA       GLY  10  -5.643   2.712  -3.295
   54    H    PHE  11           H        PHE  11  -2.145   3.497  -3.204
   55    HA   PHE  11           HA       PHE  11  -1.562   0.808  -2.149
   56   1HB   PHE  11          2HB       PHE  11  -0.391   2.976  -3.745
   57   2HB   PHE  11          1HB       PHE  11   0.723   2.235  -2.639
   58    HD1  PHE  11           1HD      PHE  11   2.035   0.551  -3.623
   59    HD2  PHE  11           2HD      PHE  11  -2.043   1.024  -4.878
   60    HE1  PHE  11           1HE      PHE  11   2.325  -1.289  -5.245
   61    HE2  PHE  11           2HE      PHE  11  -1.749  -0.823  -6.501
   62    HZ   PHE  11           HZ       PHE  11   0.435  -1.978  -6.688
   63    H    MET  12           H        MET  12  -1.427   0.707   0.099
   64    HA   MET  12           HA       MET  12  -0.774   3.184   1.620
   65   1HB   MET  12          2HB       MET  12  -2.782   1.628   2.032
   66   2HB   MET  12          1HB       MET  12  -1.609   0.472   2.668
   67   1HG   MET  12          2HG       MET  12  -0.870   2.068   4.347
   68   2HG   MET  12          1HG       MET  12  -1.909   3.319   3.663
   69   1HE   MET  12          1HE       MET  12  -3.213   2.519   7.102
   70   2HE   MET  12          2HE       MET  12  -3.848   3.698   5.958
   71   3HE   MET  12          3HE       MET  12  -2.110   3.443   6.076
   72    H    ARG  13           H        ARG  13   1.273   3.444   2.392
   73    HA   ARG  13           HA       ARG  13   3.496   1.875   1.923
   74   1HB   ARG  13          2HB       ARG  13   3.041   4.180   3.156
   75   2HB   ARG  13          1HB       ARG  13   3.184   3.181   4.601
   76   1HG   ARG  13          2HG       ARG  13   5.378   4.081   4.041
   77   2HG   ARG  13          1HG       ARG  13   5.378   2.341   3.747
   78   1HD   ARG  13          2HD       ARG  13   5.981   2.733   1.602
   79   2HD   ARG  13          1HD       ARG  13   4.461   3.618   1.359
   80    HE   ARG  13           HE       ARG  13   5.609   5.667   1.833
   81   1HH1  ARG  13          1HH2      ARG  13   7.776   3.750   0.511
   82   2HH1  ARG  13          2HH2      ARG  13   9.157   4.235   1.437
   83   1HH2  ARG  13          1HH1      ARG  13   7.294   5.923   3.827
   84   2HH2  ARG  13          2HH1      ARG  13   8.885   5.464   3.315
   85    H    THR  14           H        THR  14   4.257  -0.073   2.678
   86    HA   THR  14           HA       THR  14   2.641  -1.522   4.706
   87    HB   THR  14           HB       THR  14   4.670  -3.174   3.758
   88    HG1  THR  14           1HG      THR  14   4.641  -2.725   1.504
   89   1HG2  THR  14          1HG2      THR  14   1.968  -2.692   2.476
   90   2HG2  THR  14          2HG2      THR  14   2.222  -3.641   3.940
   91   3HG2  THR  14          3HG2      THR  14   2.913  -4.180   2.410
   92    H    ALA  15           H        ALA  15   3.619  -2.379   6.613
   93    HA   ALA  15           HA       ALA  15   5.366  -0.871   8.119
   94   1HB   ALA  15          1HB       ALA  15   5.046  -2.597   9.554
   95   2HB   ALA  15          2HB       ALA  15   5.814  -3.743   8.456
   96   3HB   ALA  15          3HB       ALA  15   4.107  -3.346   8.263
   97    H    ASP  16           H        ASP  16   6.268  -3.297   5.695
   98    HA   ASP  16           HA       ASP  16   9.091  -3.318   6.302
   99   1HB   ASP  16          2HB       ASP  16   9.203  -4.435   4.082
  100   2HB   ASP  16          1HB       ASP  16   7.902  -5.091   5.076
  101    H    GLY  17           H        GLY  17   7.121  -0.921   4.932
  102   1HA   GLY  17          2HA       GLY  17   7.893   1.252   4.284
  103   2HA   GLY  17          1HA       GLY  17   9.511   0.584   4.060
  104    H    ARG  18           H        ARG  18   6.373  -0.462   2.704
  105    HA   ARG  18           HA       ARG  18   7.435   0.193  -0.022
  106   1HB   ARG  18          2HB       ARG  18   6.473  -2.431   1.109
  107   2HB   ARG  18          1HB       ARG  18   6.385  -2.115  -0.624
  108   1HG   ARG  18          2HG       ARG  18   8.722  -1.921  -0.835
  109   2HG   ARG  18          1HG       ARG  18   8.947  -1.655   0.895
  110   1HD   ARG  18          2HD       ARG  18   7.671  -4.165   0.692
  111   2HD   ARG  18          1HD       ARG  18   8.939  -4.162  -0.552
  112    HE   ARG  18           HE       ARG  18   9.757  -3.071   2.056
  113   1HH1  ARG  18          1HH2      ARG  18   9.075  -6.051   0.556
  114   2HH1  ARG  18          2HH2      ARG  18  10.555  -6.809   1.044
  115   1HH2  ARG  18          1HH1      ARG  18  11.886  -3.922   2.430
  116   2HH2  ARG  18          2HH1      ARG  18  12.145  -5.604   2.107
  117    H    CYS  19           H        CYS  19   5.671   0.214  -1.672
  118    HA   CYS  19           HA       CYS  19   3.174   1.327  -0.548
  119   1HB   CYS  19          2HB       CYS  19   4.298   1.037  -3.351
  120   2HB   CYS  19          1HB       CYS  19   2.889   2.003  -2.912
  121    H    LYS  20           H        LYS  20   1.463  -0.063  -0.238
  122    HA   LYS  20           HA       LYS  20   1.141  -2.352  -2.153
  123   1HB   LYS  20          2HB       LYS  20   1.902  -2.538   0.460
  124   2HB   LYS  20          1HB       LYS  20   0.148  -2.634   0.626
  125   1HG   LYS  20          2HG       LYS  20   0.680  -4.284  -1.545
  126   2HG   LYS  20          1HG       LYS  20   2.020  -4.609  -0.445
  127   1HD   LYS  20          2HD       LYS  20   0.567  -5.258   1.312
  128   2HD   LYS  20          1HD       LYS  20  -0.838  -4.539   0.526
  129   1HE   LYS  20          2HE       LYS  20  -1.262  -6.475  -0.567
  130   2HE   LYS  20          1HE       LYS  20   0.386  -6.502  -1.225
  131   1HZ   LYS  20          1HZ       LYS  20  -0.234  -8.357   0.380
  132   2HZ   LYS  20          2HZ       LYS  20  -0.177  -7.177   1.600
  133   3HZ   LYS  20          3HZ       LYS  20   1.213  -7.528   0.688
  134    HA   PRO  21           HA       PRO  21  -2.803  -0.407  -2.594
  135   1HB   PRO  21          2HB       PRO  21  -3.914  -2.295  -4.240
  136   2HB   PRO  21          1HB       PRO  21  -2.825  -1.015  -4.783
  137   1HG   PRO  21          2HG       PRO  21  -2.298  -3.871  -4.365
  138   2HG   PRO  21          1HG       PRO  21  -1.517  -2.743  -5.459
  139   1HD   PRO  21          2HD       PRO  21  -0.476  -3.685  -3.051
  140   2HD   PRO  21          1HD       PRO  21   0.104  -2.276  -3.954
  141    H    THR  22           H        THR  22  -4.600  -0.477  -1.416
  142    HA   THR  22           HA       THR  22  -5.030  -2.579   0.533
  143    HB   THR  22           HB       THR  22  -6.668  -1.057   1.349
  144    HG1  THR  22           1HG      THR  22  -6.700   0.159  -1.209
  145   1HG2  THR  22          1HG2      THR  22  -4.145  -0.138   0.628
  146   2HG2  THR  22          2HG2      THR  22  -5.266   0.684   1.713
  147   3HG2  THR  22          3HG2      THR  22  -5.227   1.107   0.002
  148    H    PHE  23           H        PHE  23  -5.328  -4.370  -1.127
  149    HA   PHE  23           HA       PHE  23  -8.101  -4.362  -2.274
  150   1HB   PHE  23          2HB       PHE  23  -5.774  -4.578  -3.598
  151   2HB   PHE  23          1HB       PHE  23  -5.986  -6.274  -3.161
  152    HD1  PHE  23           1HD      PHE  23  -8.058  -3.412  -4.438
  153    HD2  PHE  23           2HD      PHE  23  -7.176  -7.611  -4.647
  154    HE1  PHE  23           1HE      PHE  23  -9.731  -3.674  -6.250
  155    HE2  PHE  23           2HE      PHE  23  -8.849  -7.872  -6.459
  156    HZ   PHE  23           HZ       PHE  23 -10.126  -5.904  -7.261
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1  17.148  11.820 -14.023
    2   2H    GLU   1          2HT       GLU   1  15.701  12.485 -13.431
    3   3H    GLU   1          3HT       GLU   1  15.844  10.805 -13.638
    4    HA   GLU   1           HA       GLU   1  17.843  11.100 -11.975
    5   1HB   GLU   1          2HB       GLU   1  16.957  13.667 -12.282
    6   2HB   GLU   1          1HB       GLU   1  16.070  13.182 -10.837
    7   1HG   GLU   1          2HG       GLU   1  17.980  12.942  -9.576
    8   2HG   GLU   1          1HG       GLU   1  18.961  12.466 -10.962
    9    H    ASN   2           H        ASN   2  17.077   9.120 -11.212
   10    HA   ASN   2           HA       ASN   2  14.352   8.556 -10.512
   11   1HB   ASN   2          2HB       ASN   2  17.046   7.345 -10.257
   12   2HB   ASN   2          1HB       ASN   2  15.847   6.768  -9.099
   13   1HD2  ASN   2          1HD2      ASN   2  16.513   4.801 -10.771
   14   2HD2  ASN   2          2HD2      ASN   2  15.386   4.586 -12.023
   15    H    PHE   3           H        PHE   3  13.348   8.529  -8.449
   16    HA   PHE   3           HA       PHE   3  14.887   9.604  -6.133
   17   1HB   PHE   3          2HB       PHE   3  13.973  11.570  -7.145
   18   2HB   PHE   3          1HB       PHE   3  12.427  10.778  -7.448
   19    HD1  PHE   3           1HD      PHE   3  14.637  11.004  -4.423
   20    HD2  PHE   3           2HD      PHE   3  10.763  11.742  -6.128
   21    HE1  PHE   3           1HE      PHE   3  13.810  11.767  -2.213
   22    HE2  PHE   3           2HE      PHE   3   9.937  12.507  -3.918
   23    HZ   PHE   3           HZ       PHE   3  11.460  12.519  -1.960
   24    H    ALA   4           H        ALA   4  14.591   7.784  -4.836
   25    HA   ALA   4           HA       ALA   4  12.409   6.018  -4.754
   26   1HB   ALA   4          1HB       ALA   4  14.355   7.024  -2.665
   27   2HB   ALA   4          2HB       ALA   4  14.447   5.533  -3.602
   28   3HB   ALA   4          3HB       ALA   4  13.229   5.707  -2.339
   29    H    GLY   5           H        GLY   5  10.566   5.905  -3.296
   30   1HA   GLY   5          2HA       GLY   5   9.165   6.936  -1.556
   31   2HA   GLY   5          1HA       GLY   5   9.777   8.509  -2.068
   32    H    GLY   6           H        GLY   6   7.003   7.004  -2.032
   33   1HA   GLY   6          2HA       GLY   6   5.268   8.215  -3.470
   34   2HA   GLY   6          1HA       GLY   6   6.263   7.720  -4.841
   35    H    CYS   7           H        CYS   7   3.429   7.002  -4.004
   36    HA   CYS   7           HA       CYS   7   3.788   4.027  -4.157
   37   1HB   CYS   7          2HB       CYS   7   1.851   5.695  -2.521
   38   2HB   CYS   7          1HB       CYS   7   1.725   3.945  -2.700
   39    H    ALA   8           H        ALA   8   1.440   3.090  -4.794
   40    HA   ALA   8           HA       ALA   8   0.711   4.462  -7.311
   41   1HB   ALA   8          1HB       ALA   8   0.583   2.294  -7.912
   42   2HB   ALA   8          2HB       ALA   8  -0.828   2.127  -6.869
   43   3HB   ALA   8          3HB       ALA   8   0.784   1.788  -6.235
   44    H    THR   9           H        THR   9  -1.909   3.876  -7.653
   45    HA   THR   9           HA       THR   9  -3.407   5.892  -6.536
   46    HB   THR   9           HB       THR   9  -4.391   4.622  -8.245
   47    HG1  THR   9           1HG      THR   9  -6.068   4.991  -6.946
   48   1HG2  THR   9          1HG2      THR   9  -3.193   2.610  -8.274
   49   2HG2  THR   9          2HG2      THR   9  -4.808   2.081  -7.802
   50   3HG2  THR   9          3HG2      THR   9  -3.547   2.263  -6.581
   51    H    GLY  10           H        GLY  10  -4.783   2.939  -5.351
   52   1HA   GLY  10          2HA       GLY  10  -4.804   4.061  -2.634
   53   2HA   GLY  10          1HA       GLY  10  -5.678   2.626  -3.170
   54    H    PHE  11           H        PHE  11  -2.210   3.542  -3.130
   55    HA   PHE  11           HA       PHE  11  -1.507   0.847  -2.167
   56   1HB   PHE  11          2HB       PHE  11  -0.434   3.096  -3.723
   57   2HB   PHE  11          1HB       PHE  11   0.720   2.379  -2.645
   58    HD1  PHE  11           1HD      PHE  11  -1.968   1.214  -4.999
   59    HD2  PHE  11           2HD      PHE  11   2.033   0.649  -3.556
   60    HE1  PHE  11           1HE      PHE  11  -1.619  -0.600  -6.651
   61    HE2  PHE  11           2HE      PHE  11   2.376  -1.165  -5.195
   62    HZ   PHE  11           HZ       PHE  11   0.553  -1.788  -6.750
   63    H    MET  12           H        MET  12  -1.400   0.709   0.079
   64    HA   MET  12           HA       MET  12  -0.800   3.165   1.650
   65   1HB   MET  12          2HB       MET  12  -2.614   1.085   1.869
   66   2HB   MET  12          1HB       MET  12  -1.381   0.649   3.050
   67   1HG   MET  12          2HG       MET  12  -1.544   2.947   4.012
   68   2HG   MET  12          1HG       MET  12  -2.857   3.292   2.888
   69   1HE   MET  12          1HE       MET  12  -1.370   1.583   5.601
   70   2HE   MET  12          2HE       MET  12  -2.524   0.491   6.362
   71   3HE   MET  12          3HE       MET  12  -2.576   2.212   6.731
   72    H    ARG  13           H        ARG  13   1.230   3.459   2.460
   73    HA   ARG  13           HA       ARG  13   3.479   1.901   1.969
   74   1HB   ARG  13          2HB       ARG  13   2.871   4.223   3.279
   75   2HB   ARG  13          1HB       ARG  13   3.379   3.200   4.623
   76   1HG   ARG  13          2HG       ARG  13   5.280   4.458   3.605
   77   2HG   ARG  13          1HG       ARG  13   5.491   2.709   3.504
   78   1HD   ARG  13          2HD       ARG  13   5.480   2.759   1.234
   79   2HD   ARG  13          1HD       ARG  13   4.033   3.788   1.199
   80    HE   ARG  13           HE       ARG  13   5.457   5.738   1.387
   81   1HH1  ARG  13          1HH1      ARG  13   7.579   4.341   3.088
   82   2HH1  ARG  13          2HH1      ARG  13   8.924   4.333   1.996
   83   1HH2  ARG  13          1HH2      ARG  13   6.998   5.037  -0.801
   84   2HH2  ARG  13          2HH2      ARG  13   8.595   4.720  -0.206
   85    H    THR  14           H        THR  14   4.070  -0.125   2.628
   86    HA   THR  14           HA       THR  14   2.572  -1.458   4.798
   87    HB   THR  14           HB       THR  14   4.850  -2.697   3.308
   88    HG1  THR  14           1HG      THR  14   3.963  -1.689   1.614
   89   1HG2  THR  14          1HG2      THR  14   3.760  -4.603   3.838
   90   2HG2  THR  14          2HG2      THR  14   2.210  -3.958   3.296
   91   3HG2  THR  14          3HG2      THR  14   2.793  -3.602   4.922
   92    H    ALA  15           H        ALA  15   3.562  -2.231   6.706
   93    HA   ALA  15           HA       ALA  15   5.444  -0.758   8.083
   94   1HB   ALA  15          1HB       ALA  15   5.574  -2.660   9.538
   95   2HB   ALA  15          2HB       ALA  15   5.255  -3.776   8.210
   96   3HB   ALA  15          3HB       ALA  15   3.972  -2.722   8.802
   97    H    ASP  16           H        ASP  16   6.096  -3.198   5.623
   98    HA   ASP  16           HA       ASP  16   8.915  -3.509   6.181
   99   1HB   ASP  16          2HB       ASP  16   8.885  -4.538   3.912
  100   2HB   ASP  16          1HB       ASP  16   7.556  -5.120   4.913
  101    H    GLY  17           H        GLY  17   7.122  -0.921   4.912
  102   1HA   GLY  17          2HA       GLY  17   8.040   1.209   4.320
  103   2HA   GLY  17          1HA       GLY  17   9.609   0.438   4.077
  104    H    ARG  18           H        ARG  18   6.390  -0.306   2.698
  105    HA   ARG  18           HA       ARG  18   7.434   0.417   0.001
  106   1HB   ARG  18          2HB       ARG  18   6.718  -2.292   1.054
  107   2HB   ARG  18          1HB       ARG  18   6.372  -1.931  -0.636
  108   1HG   ARG  18          2HG       ARG  18   8.668  -1.435  -1.094
  109   2HG   ARG  18          1HG       ARG  18   9.080  -1.443   0.621
  110   1HD   ARG  18          2HD       ARG  18   9.541  -3.654   0.475
  111   2HD   ARG  18          1HD       ARG  18   7.858  -3.961   0.000
  112    HE   ARG  18           HE       ARG  18   8.525  -3.908  -2.293
  113   1HH1  ARG  18          1HH1      ARG  18  10.348  -1.468  -1.907
  114   2HH1  ARG  18          2HH1      ARG  18  11.885  -2.144  -2.330
  115   1HH2  ARG  18          1HH2      ARG  18  10.811  -5.429  -2.078
  116   2HH2  ARG  18          2HH2      ARG  18  12.146  -4.385  -2.430
  117    H    CYS  19           H        CYS  19   5.656   0.404  -1.634
  118    HA   CYS  19           HA       CYS  19   3.136   1.420  -0.473
  119   1HB   CYS  19          2HB       CYS  19   4.216   1.179  -3.296
  120   2HB   CYS  19          1HB       CYS  19   2.818   2.137  -2.806
  121    H    LYS  20           H        LYS  20   1.501  -0.041  -0.118
  122    HA   LYS  20           HA       LYS  20   1.219  -2.344  -2.025
  123   1HB   LYS  20          2HB       LYS  20   1.442  -2.145   0.892
  124   2HB   LYS  20          1HB       LYS  20   0.032  -3.074   0.382
  125   1HG   LYS  20          2HG       LYS  20   2.848  -3.552  -0.635
  126   2HG   LYS  20          1HG       LYS  20   2.086  -4.481   0.657
  127   1HD   LYS  20          2HD       LYS  20   1.155  -5.809  -0.898
  128   2HD   LYS  20          1HD       LYS  20   0.234  -4.424  -1.485
  129   1HE   LYS  20          2HE       LYS  20   1.455  -4.409  -3.391
  130   2HE   LYS  20          1HE       LYS  20   2.946  -4.222  -2.447
  131   1HZ   LYS  20          1HZ       LYS  20   3.213  -6.289  -3.441
  132   2HZ   LYS  20          2HZ       LYS  20   1.576  -6.709  -3.262
  133   3HZ   LYS  20          3HZ       LYS  20   2.606  -6.692  -1.909
  134    HA   PRO  21           HA       PRO  21  -2.724  -0.400  -2.589
  135   1HB   PRO  21          2HB       PRO  21  -3.732  -2.244  -4.346
  136   2HB   PRO  21          1HB       PRO  21  -2.642  -0.930  -4.797
  137   1HG   PRO  21          2HG       PRO  21  -2.086  -3.792  -4.451
  138   2HG   PRO  21          1HG       PRO  21  -1.283  -2.617  -5.480
  139   1HD   PRO  21          2HD       PRO  21  -0.309  -3.612  -3.070
  140   2HD   PRO  21          1HD       PRO  21   0.267  -2.158  -3.901
  141    H    THR  22           H        THR  22  -4.581  -0.553  -1.511
  142    HA   THR  22           HA       THR  22  -5.052  -2.699   0.366
  143    HB   THR  22           HB       THR  22  -6.841  -1.271   1.058
  144    HG1  THR  22           1HG      THR  22  -6.704   0.158  -1.361
  145   1HG2  THR  22          1HG2      THR  22  -4.292  -0.226   0.509
  146   2HG2  THR  22          2HG2      THR  22  -5.489   0.452   1.612
  147   3HG2  THR  22          3HG2      THR  22  -5.418   1.004  -0.061
  148    H    PHE  23           H        PHE  23  -5.870  -2.239  -2.943
  149    HA   PHE  23           HA       PHE  23  -7.920  -4.424  -2.755
  150   1HB   PHE  23          2HB       PHE  23  -7.839  -1.779  -4.116
  151   2HB   PHE  23          1HB       PHE  23  -8.575  -3.101  -5.023
  152    HD1  PHE  23           1HD      PHE  23  -9.128  -0.619  -2.540
  153    HD2  PHE  23           2HD      PHE  23 -10.285  -4.592  -3.695
  154    HE1  PHE  23           1HE      PHE  23 -11.190  -0.416  -1.176
  155    HE2  PHE  23           2HE      PHE  23 -12.346  -4.388  -2.331
  156    HZ   PHE  23           HZ       PHE  23 -12.798  -2.300  -1.071
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1  -6.628  16.406   2.095
    2   2H    GLU   1          2HT       GLU   1  -7.951  16.961   1.186
    3   3H    GLU   1          3HT       GLU   1  -7.011  18.058   2.079
    4    HA   GLU   1           HA       GLU   1  -6.553  18.052  -0.378
    5   1HB   GLU   1          2HB       GLU   1  -5.011  18.358   1.906
    6   2HB   GLU   1          1HB       GLU   1  -4.034  17.276   0.912
    7   1HG   GLU   1          2HG       GLU   1  -3.351  19.110  -0.209
    8   2HG   GLU   1          1HG       GLU   1  -4.975  19.181  -0.894
    9    H    ASN   2           H        ASN   2  -4.280  16.799  -1.369
   10    HA   ASN   2           HA       ASN   2  -4.676  13.869  -1.197
   11   1HB   ASN   2          2HB       ASN   2  -5.059  13.799  -3.688
   12   2HB   ASN   2          1HB       ASN   2  -6.365  14.578  -2.794
   13   1HD2  ASN   2          1HD2      ASN   2  -6.759  16.816  -3.190
   14   2HD2  ASN   2          2HD2      ASN   2  -5.871  17.731  -4.310
   15    H    PHE   3           H        PHE   3  -2.396  14.412  -0.346
   16    HA   PHE   3           HA       PHE   3  -0.414  15.169  -2.400
   17   1HB   PHE   3          2HB       PHE   3  -0.257  15.982  -0.087
   18   2HB   PHE   3          1HB       PHE   3  -0.218  14.322   0.511
   19    HD1  PHE   3           1HD      PHE   3   1.579  16.611  -1.855
   20    HD2  PHE   3           2HD      PHE   3   1.843  13.255   0.814
   21    HE1  PHE   3           1HE      PHE   3   4.038  16.555  -2.169
   22    HE2  PHE   3           2HE      PHE   3   4.303  13.199   0.499
   23    HZ   PHE   3           HZ       PHE   3   5.401  14.849  -0.992
   24    H    ALA   4           H        ALA   4   1.452  13.718  -2.834
   25    HA   ALA   4           HA       ALA   4   0.827  10.812  -2.448
   26   1HB   ALA   4          1HB       ALA   4   1.691  12.284  -4.958
   27   2HB   ALA   4          2HB       ALA   4   0.132  11.507  -4.681
   28   3HB   ALA   4          3HB       ALA   4   1.593  10.529  -4.824
   29    H    GLY   5           H        GLY   5   2.499  10.284  -1.035
   30   1HA   GLY   5          2HA       GLY   5   5.098  11.498  -1.075
   31   2HA   GLY   5          1HA       GLY   5   4.695   9.988  -0.255
   32    H    GLY   6           H        GLY   6   4.235   8.131  -1.969
   33   1HA   GLY   6          2HA       GLY   6   5.565   8.191  -4.496
   34   2HA   GLY   6          1HA       GLY   6   6.680   7.559  -3.284
   35    H    CYS   7           H        CYS   7   3.163   7.130  -3.827
   36    HA   CYS   7           HA       CYS   7   3.664   4.179  -3.982
   37   1HB   CYS   7          2HB       CYS   7   1.637   5.735  -2.349
   38   2HB   CYS   7          1HB       CYS   7   1.562   3.990  -2.575
   39    H    ALA   8           H        ALA   8   1.590   3.057  -4.840
   40    HA   ALA   8           HA       ALA   8   0.785   4.392  -7.311
   41   1HB   ALA   8          1HB       ALA   8  -0.723   2.033  -6.795
   42   2HB   ALA   8          2HB       ALA   8   0.904   1.759  -6.171
   43   3HB   ALA   8          3HB       ALA   8   0.672   2.208  -7.859
   44    H    THR   9           H        THR   9  -1.815   3.772  -7.704
   45    HA   THR   9           HA       THR   9  -3.377   5.785  -6.701
   46    HB   THR   9           HB       THR   9  -4.311   4.419  -8.360
   47    HG1  THR   9           1HG      THR   9  -6.183   3.539  -7.401
   48   1HG2  THR   9          1HG2      THR   9  -3.306   2.377  -8.459
   49   2HG2  THR   9          2HG2      THR   9  -4.695   1.853  -7.507
   50   3HG2  THR   9          3HG2      THR   9  -3.175   2.249  -6.705
   51    H    GLY  10           H        GLY  10  -4.675   2.839  -5.392
   52   1HA   GLY  10          2HA       GLY  10  -4.730   4.091  -2.718
   53   2HA   GLY  10          1HA       GLY  10  -5.640   2.662  -3.209
   54    H    PHE  11           H        PHE  11  -2.160   3.519  -3.153
   55    HA   PHE  11           HA       PHE  11  -1.497   0.828  -2.148
   56   1HB   PHE  11          2HB       PHE  11  -0.385   3.056  -3.708
   57   2HB   PHE  11          1HB       PHE  11   0.748   2.335  -2.610
   58    HD1  PHE  11           1HD      PHE  11  -1.957   1.094  -4.908
   59    HD2  PHE  11           2HD      PHE  11   2.102   0.683  -3.579
   60    HE1  PHE  11           1HE      PHE  11  -1.596  -0.729  -6.546
   61    HE2  PHE  11           2HE      PHE  11   2.457  -1.144  -5.204
   62    HZ   PHE  11           HZ       PHE  11   0.610  -1.847  -6.697
   63    H    MET  12           H        MET  12  -1.345   0.694   0.098
   64    HA   MET  12           HA       MET  12  -0.766   3.168   1.652
   65   1HB   MET  12          2HB       MET  12  -2.724   1.889   2.278
   66   2HB   MET  12          1HB       MET  12  -1.787   0.396   2.340
   67   1HG   MET  12          2HG       MET  12  -1.681   0.876   4.571
   68   2HG   MET  12          1HG       MET  12  -0.356   1.924   4.067
   69   1HE   MET  12          1HE       MET  12  -3.747   2.644   6.411
   70   2HE   MET  12          2HE       MET  12  -3.421   1.228   5.415
   71   3HE   MET  12          3HE       MET  12  -4.590   2.427   4.870
   72    H    ARG  13           H        ARG  13   1.261   3.477   2.462
   73    HA   ARG  13           HA       ARG  13   3.499   1.863   1.972
   74   1HB   ARG  13          2HB       ARG  13   2.734   3.950   3.989
   75   2HB   ARG  13          1HB       ARG  13   4.291   3.136   4.154
   76   1HG   ARG  13          2HG       ARG  13   3.815   3.906   1.398
   77   2HG   ARG  13          1HG       ARG  13   3.713   5.303   2.472
   78   1HD   ARG  13          2HD       ARG  13   5.914   4.178   3.519
   79   2HD   ARG  13          1HD       ARG  13   6.058   3.559   1.862
   80    HE   ARG  13           HE       ARG  13   5.342   6.359   1.864
   81   1HH1  ARG  13          1HH1      ARG  13   7.952   4.232   2.599
   82   2HH1  ARG  13          2HH1      ARG  13   9.169   5.295   1.974
   83   1HH2  ARG  13          1HH2      ARG  13   6.906   7.702   0.921
   84   2HH2  ARG  13          2HH2      ARG  13   8.576   7.258   1.023
   85    H    THR  14           H        THR  14   3.926  -0.185   2.678
   86    HA   THR  14           HA       THR  14   2.517  -1.264   5.040
   87    HB   THR  14           HB       THR  14   4.114  -3.254   4.106
   88    HG1  THR  14           1HG      THR  14   5.113  -2.110   2.529
   89   1HG2  THR  14          1HG2      THR  14   1.912  -3.837   4.009
   90   2HG2  THR  14          2HG2      THR  14   2.080  -3.399   2.309
   91   3HG2  THR  14          3HG2      THR  14   1.411  -2.239   3.457
   92    H    ALA  15           H        ALA  15   3.588  -1.988   6.918
   93    HA   ALA  15           HA       ALA  15   5.678  -0.589   8.050
   94   1HB   ALA  15          1HB       ALA  15   4.107  -2.474   8.923
   95   2HB   ALA  15          2HB       ALA  15   5.708  -2.327   9.649
   96   3HB   ALA  15          3HB       ALA  15   5.400  -3.567   8.433
   97    H    ASP  16           H        ASP  16   5.935  -3.108   5.619
   98    HA   ASP  16           HA       ASP  16   8.734  -3.711   5.989
   99   1HB   ASP  16          2HB       ASP  16   6.538  -4.229   4.098
  100   2HB   ASP  16          1HB       ASP  16   8.128  -4.189   3.336
  101    H    GLY  17           H        GLY  17   7.168  -0.910   4.921
  102   1HA   GLY  17          2HA       GLY  17   8.210   1.117   4.238
  103   2HA   GLY  17          1HA       GLY  17   9.710   0.224   3.973
  104    H    ARG  18           H        ARG  18   6.425  -0.292   2.672
  105    HA   ARG  18           HA       ARG  18   7.420   0.373  -0.052
  106   1HB   ARG  18          2HB       ARG  18   6.488  -2.325   0.943
  107   2HB   ARG  18          1HB       ARG  18   6.495  -1.912  -0.772
  108   1HG   ARG  18          2HG       ARG  18   8.919  -1.738   1.040
  109   2HG   ARG  18          1HG       ARG  18   8.584  -3.083  -0.050
  110   1HD   ARG  18          2HD       ARG  18   8.336  -0.616  -1.519
  111   2HD   ARG  18          1HD       ARG  18   9.908  -0.658  -0.696
  112    HE   ARG  18           HE       ARG  18   9.889  -3.148  -1.651
  113   1HH1  ARG  18          1HH2      ARG  18   7.548  -1.746  -3.333
  114   2HH1  ARG  18          2HH2      ARG  18   8.370  -1.621  -4.852
  115   1HH2  ARG  18          1HH1      ARG  18  11.490  -2.347  -3.524
  116   2HH2  ARG  18          2HH1      ARG  18  10.602  -1.960  -4.960
  117    H    CYS  19           H        CYS  19   5.629   0.484  -1.622
  118    HA   CYS  19           HA       CYS  19   3.120   1.437  -0.389
  119   1HB   CYS  19          2HB       CYS  19   4.215   1.335  -3.215
  120   2HB   CYS  19          1HB       CYS  19   2.759   2.202  -2.726
  121    H    LYS  20           H        LYS  20   1.502  -0.065  -0.073
  122    HA   LYS  20           HA       LYS  20   1.237  -2.283  -2.082
  123   1HB   LYS  20          2HB       LYS  20   2.080  -2.948   0.170
  124   2HB   LYS  20          1HB       LYS  20   0.617  -2.275   0.891
  125   1HG   LYS  20          2HG       LYS  20   0.230  -4.212  -1.332
  126   2HG   LYS  20          1HG       LYS  20   0.822  -4.870   0.194
  127   1HD   LYS  20          2HD       LYS  20  -1.058  -3.828   1.390
  128   2HD   LYS  20          1HD       LYS  20  -1.648  -3.139  -0.123
  129   1HE   LYS  20          2HE       LYS  20  -2.039  -5.367  -1.045
  130   2HE   LYS  20          1HE       LYS  20  -1.331  -6.117   0.401
  131   1HZ   LYS  20          1HZ       LYS  20  -3.917  -5.629   0.208
  132   2HZ   LYS  20          2HZ       LYS  20  -3.421  -4.122   0.817
  133   3HZ   LYS  20          3HZ       LYS  20  -3.091  -5.544   1.687
  134    HA   PRO  21           HA       PRO  21  -2.728  -0.403  -2.611
  135   1HB   PRO  21          2HB       PRO  21  -3.753  -2.280  -4.326
  136   2HB   PRO  21          1HB       PRO  21  -2.678  -0.967  -4.812
  137   1HG   PRO  21          2HG       PRO  21  -2.097  -3.820  -4.425
  138   2HG   PRO  21          1HG       PRO  21  -1.320  -2.658  -5.488
  139   1HD   PRO  21          2HD       PRO  21  -0.293  -3.603  -3.083
  140   2HD   PRO  21          1HD       PRO  21   0.247  -2.151  -3.938
  141    H    THR  22           H        THR  22  -4.630  -0.568  -1.594
  142    HA   THR  22           HA       THR  22  -5.055  -2.590   0.411
  143    HB   THR  22           HB       THR  22  -6.947  -1.226   0.935
  144    HG1  THR  22           1HG      THR  22  -6.797  -0.033  -1.617
  145   1HG2  THR  22          1HG2      THR  22  -4.550  -0.121   0.823
  146   2HG2  THR  22          2HG2      THR  22  -5.968   0.885   1.122
  147   3HG2  THR  22          3HG2      THR  22  -5.263   0.812  -0.493
  148    H    PHE  23           H        PHE  23  -6.093  -2.223  -2.918
  149    HA   PHE  23           HA       PHE  23  -7.936  -4.566  -2.600
  150   1HB   PHE  23          2HB       PHE  23  -8.570  -2.167  -3.515
  151   2HB   PHE  23          1HB       PHE  23  -7.830  -2.763  -5.001
  152    HD1  PHE  23           1HD      PHE  23 -10.742  -2.867  -2.868
  153    HD2  PHE  23           2HD      PHE  23  -8.660  -4.959  -5.988
  154    HE1  PHE  23           1HE      PHE  23 -12.802  -4.151  -3.381
  155    HE2  PHE  23           2HE      PHE  23 -10.718  -6.243  -6.501
  156    HZ   PHE  23           HZ       PHE  23 -12.788  -5.840  -5.197
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1  17.458  10.504   7.660
    2   2H    GLU   1          2HT       GLU   1  17.581  12.160   7.300
    3   3H    GLU   1          3HT       GLU   1  17.117  11.058   6.094
    4    HA   GLU   1           HA       GLU   1  15.240  10.587   7.967
    5   1HB   GLU   1          2HB       GLU   1  16.291  12.432   9.283
    6   2HB   GLU   1          1HB       GLU   1  15.944  13.542   7.956
    7   1HG   GLU   1          2HG       GLU   1  13.561  12.064   8.654
    8   2HG   GLU   1          1HG       GLU   1  14.228  12.849  10.086
    9    H    ASN   2           H        ASN   2  13.430  10.426   6.688
   10    HA   ASN   2           HA       ASN   2  12.870  12.451   4.612
   11   1HB   ASN   2          2HB       ASN   2  14.292  10.012   4.112
   12   2HB   ASN   2          1HB       ASN   2  12.714   9.899   3.333
   13   1HD2  ASN   2          1HD2      ASN   2  14.743  10.052   1.545
   14   2HD2  ASN   2          2HD2      ASN   2  14.884  11.605   0.877
   15    H    PHE   3           H        PHE   3  10.733  12.827   5.087
   16    HA   PHE   3           HA       PHE   3   8.945  10.443   5.431
   17   1HB   PHE   3          2HB       PHE   3   9.678  12.297   7.353
   18   2HB   PHE   3          1HB       PHE   3   8.138  12.932   6.773
   19    HD1  PHE   3           1HD      PHE   3   6.389  10.851   6.241
   20    HD2  PHE   3           2HD      PHE   3   9.495  10.908   9.208
   21    HE1  PHE   3           1HE      PHE   3   5.183   9.114   7.538
   22    HE2  PHE   3           2HE      PHE   3   8.289   9.172  10.505
   23    HZ   PHE   3           HZ       PHE   3   6.132   8.275   9.670
   24    H    ALA   4           H        ALA   4   7.350  10.433   3.897
   25    HA   ALA   4           HA       ALA   4   5.900  12.820   3.118
   26   1HB   ALA   4          1HB       ALA   4   8.215  11.801   1.512
   27   2HB   ALA   4          2HB       ALA   4   7.705  13.464   1.801
   28   3HB   ALA   4          3HB       ALA   4   6.826  12.460   0.649
   29    H    GLY   5           H        GLY   5   6.666  10.434   0.678
   30   1HA   GLY   5          2HA       GLY   5   4.758   8.428   1.317
   31   2HA   GLY   5          1HA       GLY   5   3.951   9.644   0.327
   32    H    GLY   6           H        GLY   6   3.861   8.897  -1.734
   33   1HA   GLY   6          2HA       GLY   6   5.010   8.572  -3.857
   34   2HA   GLY   6          1HA       GLY   6   6.400   7.947  -2.969
   35    H    CYS   7           H        CYS   7   3.020   7.185  -3.792
   36    HA   CYS   7           HA       CYS   7   3.786   4.308  -3.940
   37   1HB   CYS   7          2HB       CYS   7   1.623   5.575  -2.240
   38   2HB   CYS   7          1HB       CYS   7   1.636   3.855  -2.625
   39    H    ALA   8           H        ALA   8   1.584   3.107  -4.712
   40    HA   ALA   8           HA       ALA   8   0.862   4.393  -7.245
   41   1HB   ALA   8          1HB       ALA   8   0.742   2.206  -7.767
   42   2HB   ALA   8          2HB       ALA   8  -0.658   2.044  -6.710
   43   3HB   ALA   8          3HB       ALA   8   0.966   1.781  -6.072
   44    H    THR   9           H        THR   9  -1.720   3.814  -7.704
   45    HA   THR   9           HA       THR   9  -3.297   5.830  -6.733
   46    HB   THR   9           HB       THR   9  -4.204   4.484  -8.419
   47    HG1  THR   9           1HG      THR   9  -6.133   3.933  -7.622
   48   1HG2  THR   9          1HG2      THR   9  -3.324   2.411  -8.583
   49   2HG2  THR   9          2HG2      THR   9  -4.583   1.898  -7.460
   50   3HG2  THR   9          3HG2      THR   9  -2.986   2.340  -6.854
   51    H    GLY  10           H        GLY  10  -4.614   2.865  -5.467
   52   1HA   GLY  10          2HA       GLY  10  -4.726   4.118  -2.789
   53   2HA   GLY  10          1HA       GLY  10  -5.651   2.708  -3.307
   54    H    PHE  11           H        PHE  11  -2.155   3.498  -3.161
   55    HA   PHE  11           HA       PHE  11  -1.576   0.790  -2.152
   56   1HB   PHE  11          2HB       PHE  11  -0.386   3.005  -3.678
   57   2HB   PHE  11          1HB       PHE  11   0.713   2.233  -2.579
   58    HD1  PHE  11           1HD      PHE  11   2.049   0.604  -3.621
   59    HD2  PHE  11           2HD      PHE  11  -2.036   1.058  -4.865
   60    HE1  PHE  11           1HE      PHE  11   2.362  -1.191  -5.290
   61    HE2  PHE  11           2HE      PHE  11  -1.718  -0.742  -6.534
   62    HZ   PHE  11           HZ       PHE  11   0.480  -1.864  -6.752
   63    H    MET  12           H        MET  12  -1.432   0.633   0.093
   64    HA   MET  12           HA       MET  12  -0.853   3.085   1.683
   65   1HB   MET  12          2HB       MET  12  -2.730   1.153   1.924
   66   2HB   MET  12          1HB       MET  12  -1.460   0.451   2.929
   67   1HG   MET  12          2HG       MET  12  -1.370   2.429   4.314
   68   2HG   MET  12          1HG       MET  12  -2.466   3.292   3.234
   69   1HE   MET  12          1HE       MET  12  -1.834   1.973   6.117
   70   2HE   MET  12          2HE       MET  12  -2.715   0.480   6.428
   71   3HE   MET  12          3HE       MET  12  -3.410   2.022   6.919
   72    H    ARG  13           H        ARG  13   1.230   3.391   2.343
   73    HA   ARG  13           HA       ARG  13   3.443   1.780   1.894
   74   1HB   ARG  13          2HB       ARG  13   2.694   3.763   4.037
   75   2HB   ARG  13          1HB       ARG  13   4.284   2.997   4.052
   76   1HG   ARG  13          2HG       ARG  13   3.204   4.309   1.560
   77   2HG   ARG  13          1HG       ARG  13   4.060   5.240   2.789
   78   1HD   ARG  13          2HD       ARG  13   5.584   2.870   2.290
   79   2HD   ARG  13          1HD       ARG  13   5.196   3.616   0.727
   80    HE   ARG  13           HE       ARG  13   5.931   5.815   2.010
   81   1HH1  ARG  13          1HH1      ARG  13   7.031   4.245   4.322
   82   2HH1  ARG  13          2HH1      ARG  13   8.698   4.077   3.882
   83   1HH2  ARG  13          1HH2      ARG  13   8.182   4.917   0.559
   84   2HH2  ARG  13          2HH2      ARG  13   9.350   4.458   1.753
   85    H    THR  14           H        THR  14   4.069  -0.198   2.657
   86    HA   THR  14           HA       THR  14   2.570  -1.424   4.902
   87    HB   THR  14           HB       THR  14   4.367  -3.279   4.007
   88    HG1  THR  14           1HG      THR  14   4.026  -2.704   1.580
   89   1HG2  THR  14          1HG2      THR  14   2.116  -2.999   2.161
   90   2HG2  THR  14          2HG2      THR  14   1.636  -2.822   3.848
   91   3HG2  THR  14          3HG2      THR  14   2.467  -4.284   3.317
   92    H    ALA  15           H        ALA  15   3.593  -2.093   6.836
   93    HA   ALA  15           HA       ALA  15   5.540  -0.584   8.073
   94   1HB   ALA  15          1HB       ALA  15   6.017  -3.054   9.126
   95   2HB   ALA  15          2HB       ALA  15   4.493  -3.350   8.288
   96   3HB   ALA  15          3HB       ALA  15   4.594  -2.089   9.517
   97    H    ASP  16           H        ASP  16   6.068  -3.099   5.673
   98    HA   ASP  16           HA       ASP  16   8.891  -3.485   6.156
   99   1HB   ASP  16          2HB       ASP  16   7.157  -3.858   3.691
  100   2HB   ASP  16          1HB       ASP  16   8.767  -4.544   3.908
  101    H    GLY  17           H        GLY  17   7.137  -0.864   4.892
  102   1HA   GLY  17          2HA       GLY  17   8.086   1.229   4.237
  103   2HA   GLY  17          1HA       GLY  17   9.636   0.422   3.992
  104    H    ARG  18           H        ARG  18   6.433  -0.429   2.671
  105    HA   ARG  18           HA       ARG  18   7.429   0.283  -0.055
  106   1HB   ARG  18          2HB       ARG  18   6.520  -2.410   0.972
  107   2HB   ARG  18          1HB       ARG  18   6.535  -2.024  -0.749
  108   1HG   ARG  18          2HG       ARG  18   8.918  -1.573  -0.687
  109   2HG   ARG  18          1HG       ARG  18   8.948  -1.765   1.067
  110   1HD   ARG  18          2HD       ARG  18   9.655  -3.889   0.402
  111   2HD   ARG  18          1HD       ARG  18   7.901  -4.153   0.457
  112    HE   ARG  18           HE       ARG  18   8.671  -3.071  -2.101
  113   1HH1  ARG  18          1HH1      ARG  18   6.683  -5.244  -1.853
  114   2HH1  ARG  18          2HH1      ARG  18   7.539  -6.623  -2.458
  115   1HH2  ARG  18          1HH2      ARG  18  10.662  -5.147  -2.158
  116   2HH2  ARG  18          2HH2      ARG  18   9.792  -6.568  -2.630
  117    H    CYS  19           H        CYS  19   5.658   0.344  -1.655
  118    HA   CYS  19           HA       CYS  19   3.128   1.292  -0.457
  119   1HB   CYS  19          2HB       CYS  19   4.259   1.209  -3.269
  120   2HB   CYS  19          1HB       CYS  19   2.797   2.074  -2.789
  121    H    LYS  20           H        LYS  20   1.393  -0.075  -0.312
  122    HA   LYS  20           HA       LYS  20   1.155  -2.286  -2.322
  123   1HB   LYS  20          2HB       LYS  20   1.844  -2.566   0.337
  124   2HB   LYS  20          1HB       LYS  20   0.098  -2.810   0.375
  125   1HG   LYS  20          2HG       LYS  20   0.206  -4.614  -1.167
  126   2HG   LYS  20          1HG       LYS  20   1.857  -4.213  -1.640
  127   1HD   LYS  20          2HD       LYS  20   2.758  -5.314   0.130
  128   2HD   LYS  20          1HD       LYS  20   1.521  -4.726   1.242
  129   1HE   LYS  20          2HE       LYS  20   1.031  -7.025   1.150
  130   2HE   LYS  20          1HE       LYS  20  -0.044  -6.385  -0.109
  131   1HZ   LYS  20          1HZ       LYS  20   1.416  -8.280  -0.827
  132   2HZ   LYS  20          2HZ       LYS  20   2.745  -7.238  -0.644
  133   3HZ   LYS  20          3HZ       LYS  20   1.533  -6.881  -1.779
  134    HA   PRO  21           HA       PRO  21  -2.811  -0.414  -2.699
  135   1HB   PRO  21          2HB       PRO  21  -3.908  -2.280  -4.384
  136   2HB   PRO  21          1HB       PRO  21  -2.829  -0.980  -4.900
  137   1HG   PRO  21          2HG       PRO  21  -2.284  -3.840  -4.552
  138   2HG   PRO  21          1HG       PRO  21  -1.498  -2.679  -5.604
  139   1HD   PRO  21          2HD       PRO  21  -0.492  -3.683  -3.199
  140   2HD   PRO  21          1HD       PRO  21   0.118  -2.271  -4.075
  141    H    THR  22           H        THR  22  -4.341  -0.476  -1.228
  142    HA   THR  22           HA       THR  22  -4.817  -2.678   0.548
  143    HB   THR  22           HB       THR  22  -6.405  -1.157   1.502
  144    HG1  THR  22           1HG      THR  22  -6.385   0.412  -0.829
  145   1HG2  THR  22          1HG2      THR  22  -4.794   0.967   0.239
  146   2HG2  THR  22          2HG2      THR  22  -3.845  -0.358   0.912
  147   3HG2  THR  22          3HG2      THR  22  -4.957   0.544   1.943
  148    H    PHE  23           H        PHE  23  -6.233  -1.749  -2.520
  149    HA   PHE  23           HA       PHE  23  -7.905  -4.204  -2.462
  150   1HB   PHE  23          2HB       PHE  23  -8.859  -1.346  -2.578
  151   2HB   PHE  23          1HB       PHE  23  -9.824  -2.640  -3.288
  152    HD1  PHE  23           1HD      PHE  23  -9.358  -4.886  -1.466
  153    HD2  PHE  23           2HD      PHE  23  -9.955  -0.722  -0.593
  154    HE1  PHE  23           1HE      PHE  23 -10.216  -5.480   0.783
  155    HE2  PHE  23           2HE      PHE  23 -10.813  -1.318   1.657
  156    HZ   PHE  23           HZ       PHE  23 -10.943  -3.696   2.344
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1  16.246  15.726   0.104
    2   2H    GLU   1          2HT       GLU   1  17.210  16.494   1.274
    3   3H    GLU   1          3HT       GLU   1  16.146  15.251   1.729
    4    HA   GLU   1           HA       GLU   1  18.749  15.064   0.368
    5   1HB   GLU   1          2HB       GLU   1  17.292  14.140   2.775
    6   2HB   GLU   1          1HB       GLU   1  18.351  12.937   2.040
    7   1HG   GLU   1          2HG       GLU   1  19.311  15.749   2.555
    8   2HG   GLU   1          1HG       GLU   1  19.384  14.515   3.813
    9    H    ASN   2           H        ASN   2  17.890  14.570  -1.798
   10    HA   ASN   2           HA       ASN   2  17.172  13.073  -3.481
   11   1HB   ASN   2          2HB       ASN   2  18.324  11.520  -1.229
   12   2HB   ASN   2          1HB       ASN   2  17.373  10.589  -2.388
   13   1HD2  ASN   2          1HD2      ASN   2  20.474  11.081  -1.854
   14   2HD2  ASN   2          2HD2      ASN   2  21.074  11.300  -3.425
   15    H    PHE   3           H        PHE   3  14.949  13.648  -3.581
   16    HA   PHE   3           HA       PHE   3  12.993  12.640  -1.670
   17   1HB   PHE   3          2HB       PHE   3  13.209  14.571  -3.727
   18   2HB   PHE   3          1HB       PHE   3  11.919  13.474  -4.223
   19    HD1  PHE   3           1HD      PHE   3  12.062  16.494  -2.964
   20    HD2  PHE   3           2HD      PHE   3  10.861  12.605  -1.589
   21    HE1  PHE   3           1HE      PHE   3  10.529  17.546  -1.321
   22    HE2  PHE   3           2HE      PHE   3   9.330  13.658   0.053
   23    HZ   PHE   3           HZ       PHE   3   9.164  16.129   0.186
   24    H    ALA   4           H        ALA   4  12.093  10.619  -1.722
   25    HA   ALA   4           HA       ALA   4  11.492   9.279  -4.261
   26   1HB   ALA   4          1HB       ALA   4  13.869   8.665  -2.569
   27   2HB   ALA   4          2HB       ALA   4  13.658   8.490  -4.311
   28   3HB   ALA   4          3HB       ALA   4  12.982   7.285  -3.216
   29    H    GLY   5           H        GLY   5  10.731   6.891  -3.636
   30   1HA   GLY   5          2HA       GLY   5   9.536   5.463  -2.138
   31   2HA   GLY   5          1HA       GLY   5   9.604   6.733  -0.914
   32    H    GLY   6           H        GLY   6   8.096   6.017  -4.075
   33   1HA   GLY   6          2HA       GLY   6   5.771   7.686  -3.204
   34   2HA   GLY   6          1HA       GLY   6   6.206   7.408  -4.891
   35    H    CYS   7           H        CYS   7   3.620   6.823  -3.822
   36    HA   CYS   7           HA       CYS   7   3.623   3.826  -3.981
   37   1HB   CYS   7          2HB       CYS   7   1.821   5.750  -2.478
   38   2HB   CYS   7          1HB       CYS   7   1.581   4.006  -2.544
   39    H    ALA   8           H        ALA   8   1.391   3.023  -4.771
   40    HA   ALA   8           HA       ALA   8   0.731   4.464  -7.264
   41   1HB   ALA   8          1HB       ALA   8   0.564   2.312  -7.917
   42   2HB   ALA   8          2HB       ALA   8  -0.837   2.122  -6.862
   43   3HB   ALA   8          3HB       ALA   8   0.781   1.776  -6.250
   44    H    THR   9           H        THR   9  -1.887   3.862  -7.665
   45    HA   THR   9           HA       THR   9  -3.428   5.869  -6.616
   46    HB   THR   9           HB       THR   9  -4.392   4.545  -8.289
   47    HG1  THR   9           1HG      THR   9  -5.864   4.996  -6.528
   48   1HG2  THR   9          1HG2      THR   9  -3.169   2.556  -8.299
   49   2HG2  THR   9          2HG2      THR   9  -4.754   1.996  -7.767
   50   3HG2  THR   9          3HG2      THR   9  -3.467   2.248  -6.588
   51    H    GLY  10           H        GLY  10  -4.719   2.898  -5.352
   52   1HA   GLY  10          2HA       GLY  10  -4.760   4.104  -2.657
   53   2HA   GLY  10          1HA       GLY  10  -5.666   2.678  -3.166
   54    H    PHE  11           H        PHE  11  -2.185   3.546  -3.110
   55    HA   PHE  11           HA       PHE  11  -1.519   0.839  -2.152
   56   1HB   PHE  11          2HB       PHE  11  -0.412   3.099  -3.676
   57   2HB   PHE  11          1HB       PHE  11   0.726   2.359  -2.596
   58    HD1  PHE  11           1HD      PHE  11  -1.967   1.188  -4.952
   59    HD2  PHE  11           2HD      PHE  11   2.067   0.698  -3.569
   60    HE1  PHE  11           1HE      PHE  11  -1.599  -0.603  -6.625
   61    HE2  PHE  11           2HE      PHE  11   2.425  -1.097  -5.229
   62    HZ   PHE  11           HZ       PHE  11   0.594  -1.742  -6.766
   63    H    MET  12           H        MET  12  -1.351   0.667   0.100
   64    HA   MET  12           HA       MET  12  -0.803   3.122   1.695
   65   1HB   MET  12          2HB       MET  12  -2.745   1.745   2.264
   66   2HB   MET  12          1HB       MET  12  -1.720   0.316   2.398
   67   1HG   MET  12          2HG       MET  12  -0.940   0.910   4.455
   68   2HG   MET  12          1HG       MET  12  -0.859   2.621   4.036
   69   1HE   MET  12          1HE       MET  12  -4.012   4.201   4.979
   70   2HE   MET  12          2HE       MET  12  -3.572   3.774   3.328
   71   3HE   MET  12          3HE       MET  12  -2.321   4.275   4.464
   72    H    ARG  13           H        ARG  13   1.170   3.424   2.646
   73    HA   ARG  13           HA       ARG  13   3.474   1.930   2.067
   74   1HB   ARG  13          2HB       ARG  13   2.941   4.249   3.276
   75   2HB   ARG  13          1HB       ARG  13   3.195   3.273   4.723
   76   1HG   ARG  13          2HG       ARG  13   5.312   4.280   4.040
   77   2HG   ARG  13          1HG       ARG  13   5.386   2.534   3.797
   78   1HD   ARG  13          2HD       ARG  13   6.019   3.020   1.667
   79   2HD   ARG  13          1HD       ARG  13   4.325   3.481   1.401
   80    HE   ARG  13           HE       ARG  13   4.989   5.747   1.482
   81   1HH1  ARG  13          1HH2      ARG  13   7.786   4.124   1.216
   82   2HH1  ARG  13          2HH2      ARG  13   8.760   5.181   2.182
   83   1HH2  ARG  13          1HH1      ARG  13   6.055   6.937   3.458
   84   2HH2  ARG  13          2HH1      ARG  13   7.779   6.774   3.451
   85    H    THR  14           H        THR  14   4.092  -0.094   2.701
   86    HA   THR  14           HA       THR  14   2.633  -1.455   4.884
   87    HB   THR  14           HB       THR  14   4.524  -3.193   3.908
   88    HG1  THR  14           1HG      THR  14   4.491  -2.736   1.623
   89   1HG2  THR  14          1HG2      THR  14   2.732  -4.203   2.777
   90   2HG2  THR  14          2HG2      THR  14   1.999  -2.654   2.362
   91   3HG2  THR  14          3HG2      THR  14   1.924  -3.248   4.021
   92    H    ALA  15           H        ALA  15   3.652  -2.187   6.792
   93    HA   ALA  15           HA       ALA  15   5.554  -0.677   8.106
   94   1HB   ALA  15          1HB       ALA  15   4.705  -2.225   9.539
   95   2HB   ALA  15          2HB       ALA  15   6.042  -3.244   9.009
   96   3HB   ALA  15          3HB       ALA  15   4.459  -3.401   8.249
   97    H    ASP  16           H        ASP  16   6.144  -3.130   5.655
   98    HA   ASP  16           HA       ASP  16   8.985  -3.429   6.159
   99   1HB   ASP  16          2HB       ASP  16   6.991  -4.130   4.034
  100   2HB   ASP  16          1HB       ASP  16   8.707  -4.258   3.646
  101    H    GLY  17           H        GLY  17   7.234  -0.808   5.037
  102   1HA   GLY  17          2HA       GLY  17   8.103   1.259   4.251
  103   2HA   GLY  17          1HA       GLY  17   9.662   0.472   3.994
  104    H    ARG  18           H        ARG  18   6.396  -0.280   2.735
  105    HA   ARG  18           HA       ARG  18   7.392   0.292  -0.019
  106   1HB   ARG  18          2HB       ARG  18   6.526  -2.334   1.160
  107   2HB   ARG  18          1HB       ARG  18   6.271  -2.024  -0.557
  108   1HG   ARG  18          2HG       ARG  18   8.587  -1.764  -0.973
  109   2HG   ARG  18          1HG       ARG  18   8.958  -1.569   0.741
  110   1HD   ARG  18          2HD       ARG  18   8.954  -3.831   1.131
  111   2HD   ARG  18          1HD       ARG  18   7.639  -4.127  -0.024
  112    HE   ARG  18           HE       ARG  18   9.258  -4.047  -1.833
  113   1HH1  ARG  18          1HH2      ARG  18  10.465  -5.027   1.105
  114   2HH1  ARG  18          2HH2      ARG  18  12.132  -4.745   0.731
  115   1HH2  ARG  18          1HH1      ARG  18  11.461  -3.083  -2.236
  116   2HH2  ARG  18          2HH1      ARG  18  12.697  -3.644  -1.159
  117    H    CYS  19           H        CYS  19   5.592   0.319  -1.603
  118    HA   CYS  19           HA       CYS  19   3.092   1.367  -0.397
  119   1HB   CYS  19          2HB       CYS  19   4.232   1.279  -3.206
  120   2HB   CYS  19          1HB       CYS  19   2.794   2.177  -2.721
  121    H    LYS  20           H        LYS  20   1.400  -0.060  -0.185
  122    HA   LYS  20           HA       LYS  20   1.160  -2.271  -2.203
  123   1HB   LYS  20          2HB       LYS  20   1.951  -2.818   0.184
  124   2HB   LYS  20          1HB       LYS  20   0.321  -2.387   0.703
  125   1HG   LYS  20          2HG       LYS  20  -0.501  -4.048  -1.085
  126   2HG   LYS  20          1HG       LYS  20   1.164  -4.631  -1.135
  127   1HD   LYS  20          2HD       LYS  20   1.104  -5.390   1.084
  128   2HD   LYS  20          1HD       LYS  20  -0.266  -4.359   1.499
  129   1HE   LYS  20          2HE       LYS  20  -1.409  -6.358   1.261
  130   2HE   LYS  20          1HE       LYS  20  -1.413  -5.864  -0.444
  131   1HZ   LYS  20          1HZ       LYS  20  -0.436  -7.935  -0.559
  132   2HZ   LYS  20          2HZ       LYS  20   0.365  -7.768   0.930
  133   3HZ   LYS  20          3HZ       LYS  20   0.928  -6.934  -0.440
  134    HA   PRO  21           HA       PRO  21  -2.784  -0.352  -2.733
  135   1HB   PRO  21          2HB       PRO  21  -3.807  -2.191  -4.493
  136   2HB   PRO  21          1HB       PRO  21  -2.714  -0.878  -4.944
  137   1HG   PRO  21          2HG       PRO  21  -2.168  -3.742  -4.615
  138   2HG   PRO  21          1HG       PRO  21  -1.355  -2.563  -5.630
  139   1HD   PRO  21          2HD       PRO  21  -0.407  -3.589  -3.216
  140   2HD   PRO  21          1HD       PRO  21   0.198  -2.144  -4.043
  141    H    THR  22           H        THR  22  -4.609  -0.498  -1.591
  142    HA   THR  22           HA       THR  22  -5.063  -2.595   0.307
  143    HB   THR  22           HB       THR  22  -6.946  -1.238   0.900
  144    HG1  THR  22           1HG      THR  22  -6.780   0.109  -1.568
  145   1HG2  THR  22          1HG2      THR  22  -4.421  -0.114   0.410
  146   2HG2  THR  22          2HG2      THR  22  -5.685   0.553   1.444
  147   3HG2  THR  22          3HG2      THR  22  -5.570   1.054  -0.243
  148    H    PHE  23           H        PHE  23  -6.413  -1.925  -2.899
  149    HA   PHE  23           HA       PHE  23  -7.910  -4.521  -2.724
  150   1HB   PHE  23          2HB       PHE  23  -9.293  -2.441  -2.757
  151   2HB   PHE  23          1HB       PHE  23  -8.558  -2.010  -4.302
  152    HD1  PHE  23           1HD      PHE  23  -9.780  -5.277  -2.922
  153    HD2  PHE  23           2HD      PHE  23 -10.139  -2.300  -5.998
  154    HE1  PHE  23           1HE      PHE  23 -11.426  -6.702  -4.108
  155    HE2  PHE  23           2HE      PHE  23 -11.785  -3.725  -7.185
  156    HZ   PHE  23           HZ       PHE  23 -12.428  -5.926  -6.241
  Start of MODEL   21
    1   1H    GLU   1          1HT       GLU   1  13.759  14.413   7.860
    2   2H    GLU   1          2HT       GLU   1  14.132  15.984   7.331
    3   3H    GLU   1          3HT       GLU   1  12.939  15.076   6.532
    4    HA   GLU   1           HA       GLU   1  12.564  15.596   9.396
    5   1HB   GLU   1          2HB       GLU   1  12.839  17.575   7.211
    6   2HB   GLU   1          1HB       GLU   1  11.399  17.768   8.210
    7   1HG   GLU   1          2HG       GLU   1  13.355  19.043   9.094
    8   2HG   GLU   1          1HG       GLU   1  12.758  17.835  10.233
    9    H    ASN   2           H        ASN   2  11.118  15.996   6.135
   10    HA   ASN   2           HA       ASN   2   8.475  15.176   7.111
   11   1HB   ASN   2          2HB       ASN   2   9.215  16.879   5.255
   12   2HB   ASN   2          1HB       ASN   2   9.311  15.447   4.231
   13   1HD2  ASN   2          1HD2      ASN   2   7.257  17.865   4.667
   14   2HD2  ASN   2          2HD2      ASN   2   5.761  17.063   4.594
   15    H    PHE   3           H        PHE   3   7.308  13.404   5.794
   16    HA   PHE   3           HA       PHE   3   9.126  11.037   5.563
   17   1HB   PHE   3          2HB       PHE   3   6.445  11.608   6.620
   18   2HB   PHE   3          1HB       PHE   3   6.497  10.157   5.619
   19    HD1  PHE   3           1HD      PHE   3   6.823   8.199   6.827
   20    HD2  PHE   3           2HD      PHE   3   8.790  11.796   8.108
   21    HE1  PHE   3           1HE      PHE   3   7.895   6.951   8.682
   22    HE2  PHE   3           2HE      PHE   3   9.862  10.548   9.965
   23    HZ   PHE   3           HZ       PHE   3   9.415   8.126  10.251
   24    H    ALA   4           H        ALA   4   9.504  12.229   3.308
   25    HA   ALA   4           HA       ALA   4   7.483  12.160   1.281
   26   1HB   ALA   4          1HB       ALA   4   9.209  12.982   0.030
   27   2HB   ALA   4          2HB       ALA   4  10.290  11.670   0.497
   28   3HB   ALA   4          3HB       ALA   4  10.061  13.048   1.573
   29    H    GLY   5           H        GLY   5   7.648  10.647  -0.673
   30   1HA   GLY   5          2HA       GLY   5   8.883   8.103  -0.585
   31   2HA   GLY   5          1HA       GLY   5   7.285   7.928   0.140
   32    H    GLY   6           H        GLY   6   6.200   6.833  -1.478
   33   1HA   GLY   6          2HA       GLY   6   5.076   8.202  -3.653
   34   2HA   GLY   6          1HA       GLY   6   6.516   7.403  -4.286
   35    H    CYS   7           H        CYS   7   3.239   6.985  -3.589
   36    HA   CYS   7           HA       CYS   7   3.533   4.007  -3.831
   37   1HB   CYS   7          2HB       CYS   7   1.612   5.699  -2.206
   38   2HB   CYS   7          1HB       CYS   7   1.445   3.958  -2.407
   39    H    ALA   8           H        ALA   8   1.642   2.973  -4.896
   40    HA   ALA   8           HA       ALA   8   0.809   4.400  -7.269
   41   1HB   ALA   8          1HB       ALA   8   0.845   1.749  -6.197
   42   2HB   ALA   8          2HB       ALA   8   0.571   2.243  -7.868
   43   3HB   ALA   8          3HB       ALA   8  -0.792   2.090  -6.759
   44    H    THR   9           H        THR   9  -1.809   3.896  -7.682
   45    HA   THR   9           HA       THR   9  -3.284   5.947  -6.603
   46    HB   THR   9           HB       THR   9  -4.316   4.733  -8.307
   47    HG1  THR   9           1HG      THR   9  -6.029   3.420  -7.055
   48   1HG2  THR   9          1HG2      THR   9  -4.710   2.101  -7.547
   49   2HG2  THR   9          2HG2      THR   9  -3.098   2.455  -6.926
   50   3HG2  THR   9          3HG2      THR   9  -3.450   2.673  -8.641
   51    H    GLY  10           H        GLY  10  -4.605   2.932  -5.439
   52   1HA   GLY  10          2HA       GLY  10  -4.710   4.082  -2.718
   53   2HA   GLY  10          1HA       GLY  10  -5.605   2.670  -3.277
   54    H    PHE  11           H        PHE  11  -2.112   3.503  -3.150
   55    HA   PHE  11           HA       PHE  11  -1.506   0.785  -2.173
   56   1HB   PHE  11          2HB       PHE  11  -0.332   3.013  -3.692
   57   2HB   PHE  11          1HB       PHE  11   0.771   2.261  -2.586
   58    HD1  PHE  11           1HD      PHE  11   2.125   0.622  -3.578
   59    HD2  PHE  11           2HD      PHE  11  -1.926   1.067  -4.920
   60    HE1  PHE  11           1HE      PHE  11   2.481  -1.182  -5.227
   61    HE2  PHE  11           2HE      PHE  11  -1.568  -0.743  -6.571
   62    HZ   PHE  11           HZ       PHE  11   0.635  -1.866  -6.730
   63    H    MET  12           H        MET  12  -1.357   0.621   0.080
   64    HA   MET  12           HA       MET  12  -0.836   3.086   1.668
   65   1HB   MET  12          2HB       MET  12  -2.790   1.607   2.121
   66   2HB   MET  12          1HB       MET  12  -1.679   0.282   2.470
   67   1HG   MET  12          2HG       MET  12  -1.333   1.041   4.563
   68   2HG   MET  12          1HG       MET  12  -0.927   2.649   3.961
   69   1HE   MET  12          1HE       MET  12  -3.851   1.357   6.554
   70   2HE   MET  12          2HE       MET  12  -3.071   2.904   6.872
   71   3HE   MET  12          3HE       MET  12  -2.097   1.518   6.389
   72    H    ARG  13           H        ARG  13   1.225   3.450   2.341
   73    HA   ARG  13           HA       ARG  13   3.491   1.899   1.955
   74   1HB   ARG  13          2HB       ARG  13   2.966   4.291   3.014
   75   2HB   ARG  13          1HB       ARG  13   3.187   3.408   4.525
   76   1HG   ARG  13          2HG       ARG  13   5.349   4.223   3.971
   77   2HG   ARG  13          1HG       ARG  13   5.369   2.523   3.496
   78   1HD   ARG  13          2HD       ARG  13   5.939   3.179   1.404
   79   2HD   ARG  13          1HD       ARG  13   4.354   3.968   1.268
   80    HE   ARG  13           HE       ARG  13   5.443   6.027   1.628
   81   1HH1  ARG  13          1HH1      ARG  13   7.342   3.370   2.748
   82   2HH1  ARG  13          2HH1      ARG  13   8.654   4.365   3.283
   83   1HH2  ARG  13          1HH2      ARG  13   7.125   7.339   2.370
   84   2HH2  ARG  13          2HH2      ARG  13   8.532   6.610   3.070
   85    H    THR  14           H        THR  14   4.026  -0.120   2.676
   86    HA   THR  14           HA       THR  14   2.589  -1.293   4.982
   87    HB   THR  14           HB       THR  14   4.462  -3.107   3.963
   88    HG1  THR  14           1HG      THR  14   3.995  -2.824   1.666
   89   1HG2  THR  14          1HG2      THR  14   2.512  -4.151   2.936
   90   2HG2  THR  14          2HG2      THR  14   1.619  -2.634   3.029
   91   3HG2  THR  14          3HG2      THR  14   2.061  -3.488   4.507
   92    H    ALA  15           H        ALA  15   3.663  -2.014   6.871
   93    HA   ALA  15           HA       ALA  15   5.670  -0.528   8.058
   94   1HB   ALA  15          1HB       ALA  15   6.003  -2.559   9.478
   95   2HB   ALA  15          2HB       ALA  15   5.106  -3.502   8.287
   96   3HB   ALA  15          3HB       ALA  15   4.298  -2.216   9.185
   97    H    ASP  16           H        ASP  16   6.070  -3.078   5.671
   98    HA   ASP  16           HA       ASP  16   8.894  -3.528   6.077
   99   1HB   ASP  16          2HB       ASP  16   7.024  -4.866   4.821
  100   2HB   ASP  16          1HB       ASP  16   7.437  -3.825   3.458
  101    H    GLY  17           H        GLY  17   7.222  -0.828   4.937
  102   1HA   GLY  17          2HA       GLY  17   8.197   1.214   4.193
  103   2HA   GLY  17          1HA       GLY  17   9.716   0.358   3.919
  104    H    ARG  18           H        ARG  18   6.467  -0.421   2.685
  105    HA   ARG  18           HA       ARG  18   7.400   0.246  -0.073
  106   1HB   ARG  18          2HB       ARG  18   6.541  -2.413   1.055
  107   2HB   ARG  18          1HB       ARG  18   6.332  -2.063  -0.662
  108   1HG   ARG  18          2HG       ARG  18   8.985  -1.568   0.667
  109   2HG   ARG  18          1HG       ARG  18   8.552  -3.191   0.129
  110   1HD   ARG  18          2HD       ARG  18   7.876  -1.828  -2.098
  111   2HD   ARG  18          1HD       ARG  18   9.164  -0.766  -1.493
  112    HE   ARG  18           HE       ARG  18  10.723  -2.568  -1.732
  113   1HH1  ARG  18          1HH1      ARG  18   7.464  -3.649  -1.969
  114   2HH1  ARG  18          2HH1      ARG  18   7.868  -5.114  -2.800
  115   1HH2  ARG  18          1HH2      ARG  18  11.258  -4.404  -2.959
  116   2HH2  ARG  18          2HH2      ARG  18  10.015  -5.542  -3.359
  117    H    CYS  19           H        CYS  19   5.560   0.299  -1.617
  118    HA   CYS  19           HA       CYS  19   3.084   1.292  -0.320
  119   1HB   CYS  19          2HB       CYS  19   4.180   1.297  -3.146
  120   2HB   CYS  19          1HB       CYS  19   2.710   2.128  -2.638
  121    H    LYS  20           H        LYS  20   1.431  -0.178  -0.072
  122    HA   LYS  20           HA       LYS  20   1.164  -2.353  -2.129
  123   1HB   LYS  20          2HB       LYS  20   1.779  -2.616   0.523
  124   2HB   LYS  20          1HB       LYS  20   0.020  -2.739   0.576
  125   1HG   LYS  20          2HG       LYS  20   0.037  -4.784  -0.383
  126   2HG   LYS  20          1HG       LYS  20   1.173  -4.270  -1.631
  127   1HD   LYS  20          2HD       LYS  20   2.888  -4.320   0.404
  128   2HD   LYS  20          1HD       LYS  20   1.721  -5.474   1.051
  129   1HE   LYS  20          2HE       LYS  20   1.863  -6.674  -1.216
  130   2HE   LYS  20          1HE       LYS  20   3.295  -5.673  -1.529
  131   1HZ   LYS  20          1HZ       LYS  20   4.431  -6.574   0.239
  132   2HZ   LYS  20          2HZ       LYS  20   3.557  -7.930  -0.291
  133   3HZ   LYS  20          3HZ       LYS  20   3.024  -7.047   1.059
  134    HA   PRO  21           HA       PRO  21  -2.759  -0.410  -2.718
  135   1HB   PRO  21          2HB       PRO  21  -3.784  -2.270  -4.453
  136   2HB   PRO  21          1HB       PRO  21  -2.686  -0.970  -4.919
  137   1HG   PRO  21          2HG       PRO  21  -2.149  -3.831  -4.533
  138   2HG   PRO  21          1HG       PRO  21  -1.336  -2.677  -5.577
  139   1HD   PRO  21          2HD       PRO  21  -0.368  -3.647  -3.157
  140   2HD   PRO  21          1HD       PRO  21   0.212  -2.199  -3.997
  141    H    THR  22           H        THR  22  -4.570  -0.505  -1.566
  142    HA   THR  22           HA       THR  22  -5.086  -2.601   0.331
  143    HB   THR  22           HB       THR  22  -6.902  -1.170   0.948
  144    HG1  THR  22           1HG      THR  22  -6.686   0.031  -1.608
  145   1HG2  THR  22          1HG2      THR  22  -4.432  -0.207   0.838
  146   2HG2  THR  22          2HG2      THR  22  -5.786   0.841   1.267
  147   3HG2  THR  22          3HG2      THR  22  -5.141   0.862  -0.374
  148    H    PHE  23           H        PHE  23  -5.352  -4.567  -0.894
  149    HA   PHE  23           HA       PHE  23  -7.896  -4.692  -2.483
  150   1HB   PHE  23          2HB       PHE  23  -5.209  -5.194  -3.215
  151   2HB   PHE  23          1HB       PHE  23  -5.985  -6.774  -3.100
  152    HD1  PHE  23           1HD      PHE  23  -5.660  -3.746  -5.033
  153    HD2  PHE  23           2HD      PHE  23  -8.190  -7.145  -4.330
  154    HE1  PHE  23           1HE      PHE  23  -6.802  -3.344  -7.198
  155    HE2  PHE  23           2HE      PHE  23  -9.332  -6.744  -6.494
  156    HZ   PHE  23           HZ       PHE  23  -8.638  -4.844  -7.929
  Start of MODEL   22
    1   1H    GLU   1          1HT       GLU   1  10.883  21.060  -7.497
    2   2H    GLU   1          2HT       GLU   1  11.823  19.993  -6.566
    3   3H    GLU   1          3HT       GLU   1  10.436  20.711  -5.898
    4    HA   GLU   1           HA       GLU   1   9.379  19.489  -8.046
    5   1HB   GLU   1          2HB       GLU   1  11.952  18.646  -8.041
    6   2HB   GLU   1          1HB       GLU   1  11.240  17.422  -6.988
    7   1HG   GLU   1          2HG       GLU   1  10.591  16.365  -8.877
    8   2HG   GLU   1          1HG       GLU   1   9.396  17.651  -9.057
    9    H    ASN   2           H        ASN   2   7.495  19.084  -6.960
   10    HA   ASN   2           HA       ASN   2   7.463  18.391  -4.118
   11   1HB   ASN   2          2HB       ASN   2   5.798  19.644  -5.912
   12   2HB   ASN   2          1HB       ASN   2   5.018  18.072  -5.739
   13   1HD2  ASN   2          1HD2      ASN   2   6.045  20.965  -3.935
   14   2HD2  ASN   2          2HD2      ASN   2   5.096  20.651  -2.562
   15    H    PHE   3           H        PHE   3   5.681  16.491  -3.683
   16    HA   PHE   3           HA       PHE   3   5.973  14.169  -5.458
   17   1HB   PHE   3          2HB       PHE   3   8.027  14.711  -3.707
   18   2HB   PHE   3          1HB       PHE   3   7.028  13.610  -2.759
   19    HD1  PHE   3           1HD      PHE   3   8.219  11.568  -2.820
   20    HD2  PHE   3           2HD      PHE   3   7.494  13.727  -6.461
   21    HE1  PHE   3           1HE      PHE   3   9.088   9.650  -4.129
   22    HE2  PHE   3           2HE      PHE   3   8.363  11.809  -7.772
   23    HZ   PHE   3           HZ       PHE   3   9.160   9.771  -6.605
   24    H    ALA   4           H        ALA   4   3.797  13.634  -5.355
   25    HA   ALA   4           HA       ALA   4   2.148  13.974  -3.010
   26   1HB   ALA   4          1HB       ALA   4   0.594  13.602  -4.608
   27   2HB   ALA   4          2HB       ALA   4   1.198  11.965  -4.863
   28   3HB   ALA   4          3HB       ALA   4   1.905  13.315  -5.750
   29    H    GLY   5           H        GLY   5   3.924  12.788  -1.621
   30   1HA   GLY   5          2HA       GLY   5   4.162  10.957  -0.142
   31   2HA   GLY   5          1HA       GLY   5   2.891  10.119  -1.033
   32    H    GLY   6           H        GLY   6   3.566   8.389  -2.189
   33   1HA   GLY   6          2HA       GLY   6   5.680   8.272  -4.007
   34   2HA   GLY   6          1HA       GLY   6   6.382   7.776  -2.466
   35    H    CYS   7           H        CYS   7   3.083   7.161  -3.625
   36    HA   CYS   7           HA       CYS   7   3.748   4.253  -3.844
   37   1HB   CYS   7          2HB       CYS   7   1.607   5.622  -2.194
   38   2HB   CYS   7          1HB       CYS   7   1.566   3.898  -2.560
   39    H    ALA   8           H        ALA   8   1.534   3.139  -4.668
   40    HA   ALA   8           HA       ALA   8   0.873   4.500  -7.191
   41   1HB   ALA   8          1HB       ALA   8   0.814   2.329  -7.783
   42   2HB   ALA   8          2HB       ALA   8  -0.634   2.127  -6.797
   43   3HB   ALA   8          3HB       ALA   8   0.959   1.844  -6.095
   44    H    THR   9           H        THR   9  -1.711   3.837  -7.682
   45    HA   THR   9           HA       THR   9  -3.335   5.824  -6.731
   46    HB   THR   9           HB       THR   9  -4.217   4.444  -8.403
   47    HG1  THR   9           1HG      THR   9  -5.755   4.890  -6.704
   48   1HG2  THR   9          1HG2      THR   9  -2.984   2.479  -8.373
   49   2HG2  THR   9          2HG2      THR   9  -4.540   1.889  -7.788
   50   3HG2  THR   9          3HG2      THR   9  -3.238   2.225  -6.647
   51    H    GLY  10           H        GLY  10  -4.593   2.845  -5.443
   52   1HA   GLY  10          2HA       GLY  10  -4.715   4.114  -2.770
   53   2HA   GLY  10          1HA       GLY  10  -5.637   2.698  -3.282
   54    H    PHE  11           H        PHE  11  -2.144   3.505  -3.152
   55    HA   PHE  11           HA       PHE  11  -1.542   0.801  -2.153
   56   1HB   PHE  11          2HB       PHE  11  -0.346   3.054  -3.633
   57   2HB   PHE  11          1HB       PHE  11   0.738   2.245  -2.549
   58    HD1  PHE  11           1HD      PHE  11   2.046   0.585  -3.571
   59    HD2  PHE  11           2HD      PHE  11  -1.977   1.202  -4.930
   60    HE1  PHE  11           1HE      PHE  11   2.356  -1.184  -5.267
   61    HE2  PHE  11           2HE      PHE  11  -1.665  -0.573  -6.630
   62    HZ   PHE  11           HZ       PHE  11   0.500  -1.764  -6.803
   63    H    MET  12           H        MET  12  -1.393   0.624   0.090
   64    HA   MET  12           HA       MET  12  -0.889   3.083   1.693
   65   1HB   MET  12          2HB       MET  12  -2.828   1.471   2.057
   66   2HB   MET  12          1HB       MET  12  -1.634   0.289   2.598
   67   1HG   MET  12          2HG       MET  12  -1.018   1.593   4.469
   68   2HG   MET  12          1HG       MET  12  -1.739   3.056   3.796
   69   1HE   MET  12          1HE       MET  12  -1.990  -0.287   5.144
   70   2HE   MET  12          2HE       MET  12  -3.607  -0.533   5.799
   71   3HE   MET  12          3HE       MET  12  -2.465   0.502   6.654
   72    H    ARG  13           H        ARG  13   1.153   3.440   2.431
   73    HA   ARG  13           HA       ARG  13   3.425   1.891   1.991
   74   1HB   ARG  13          2HB       ARG  13   2.879   4.277   3.097
   75   2HB   ARG  13          1HB       ARG  13   3.185   3.364   4.576
   76   1HG   ARG  13          2HG       ARG  13   5.350   3.969   4.120
   77   2HG   ARG  13          1HG       ARG  13   5.281   2.519   3.118
   78   1HD   ARG  13          2HD       ARG  13   6.062   4.070   1.558
   79   2HD   ARG  13          1HD       ARG  13   4.311   4.247   1.322
   80    HE   ARG  13           HE       ARG  13   4.547   6.421   2.191
   81   1HH1  ARG  13          1HH2      ARG  13   7.563   6.243   2.003
   82   2HH1  ARG  13          2HH2      ARG  13   8.033   6.601   3.631
   83   1HH2  ARG  13          1HH1      ARG  13   4.874   6.046   4.947
   84   2HH2  ARG  13          2HH1      ARG  13   6.510   6.491   5.297
   85    H    THR  14           H        THR  14   4.165  -0.022   2.825
   86    HA   THR  14           HA       THR  14   2.678  -1.238   5.103
   87    HB   THR  14           HB       THR  14   4.739  -2.827   3.760
   88    HG1  THR  14           1HG      THR  14   4.329  -1.666   1.960
   89   1HG2  THR  14          1HG2      THR  14   2.791  -4.328   3.411
   90   2HG2  THR  14          2HG2      THR  14   1.728  -3.060   4.022
   91   3HG2  THR  14          3HG2      THR  14   2.927  -3.796   5.087
   92    H    ALA  15           H        ALA  15   3.759  -1.837   7.009
   93    HA   ALA  15           HA       ALA  15   5.831  -0.381   8.092
   94   1HB   ALA  15          1HB       ALA  15   5.378  -3.355   8.474
   95   2HB   ALA  15          2HB       ALA  15   4.362  -2.102   9.184
   96   3HB   ALA  15          3HB       ALA  15   6.055  -2.235   9.656
   97    H    ASP  16           H        ASP  16   6.127  -3.009   5.778
   98    HA   ASP  16           HA       ASP  16   8.947  -3.518   6.147
   99   1HB   ASP  16          2HB       ASP  16   7.210  -4.980   5.036
  100   2HB   ASP  16          1HB       ASP  16   7.220  -3.857   3.675
  101    H    GLY  17           H        GLY  17   7.256  -0.871   4.828
  102   1HA   GLY  17          2HA       GLY  17   8.286   1.151   4.059
  103   2HA   GLY  17          1HA       GLY  17   9.780   0.252   3.777
  104    H    ARG  18           H        ARG  18   6.479  -0.483   2.655
  105    HA   ARG  18           HA       ARG  18   7.369   0.040  -0.149
  106   1HB   ARG  18          2HB       ARG  18   6.223  -2.529   0.984
  107   2HB   ARG  18          1HB       ARG  18   6.450  -2.221  -0.737
  108   1HG   ARG  18          2HG       ARG  18   8.845  -2.008  -0.449
  109   2HG   ARG  18          1HG       ARG  18   8.685  -2.090   1.305
  110   1HD   ARG  18          2HD       ARG  18   9.093  -4.325   1.015
  111   2HD   ARG  18          1HD       ARG  18   7.396  -4.400   0.500
  112    HE   ARG  18           HE       ARG  18   8.684  -3.599  -1.794
  113   1HH1  ARG  18          1HH1      ARG  18   8.120  -6.441  -0.111
  114   2HH1  ARG  18          2HH1      ARG  18   9.260  -7.402  -0.994
  115   1HH2  ARG  18          1HH2      ARG  18  10.624  -4.706  -2.693
  116   2HH2  ARG  18          2HH2      ARG  18  10.677  -6.420  -2.451
  117    H    CYS  19           H        CYS  19   5.548   0.218  -1.643
  118    HA   CYS  19           HA       CYS  19   3.087   1.241  -0.350
  119   1HB   CYS  19          2HB       CYS  19   4.178   1.215  -3.179
  120   2HB   CYS  19          1HB       CYS  19   2.718   2.066  -2.675
  121    H    LYS  20           H        LYS  20   1.416  -0.208  -0.090
  122    HA   LYS  20           HA       LYS  20   1.112  -2.371  -2.151
  123   1HB   LYS  20          2HB       LYS  20   1.846  -2.790   0.366
  124   2HB   LYS  20          1HB       LYS  20   0.115  -2.622   0.667
  125   1HG   LYS  20          2HG       LYS  20  -0.053  -4.285  -1.401
  126   2HG   LYS  20          1HG       LYS  20   1.575  -4.722  -0.883
  127   1HD   LYS  20          2HD       LYS  20  -0.505  -4.502   1.239
  128   2HD   LYS  20          1HD       LYS  20  -0.608  -5.890   0.155
  129   1HE   LYS  20          2HE       LYS  20   1.829  -6.360   0.643
  130   2HE   LYS  20          1HE       LYS  20   1.752  -5.100   1.891
  131   1HZ   LYS  20          1HZ       LYS  20   0.303  -7.660   1.757
  132   2HZ   LYS  20          2HZ       LYS  20  -0.385  -6.350   2.590
  133   3HZ   LYS  20          3HZ       LYS  20   1.124  -6.965   3.068
  134    HA   PRO  21           HA       PRO  21  -2.798  -0.386  -2.684
  135   1HB   PRO  21          2HB       PRO  21  -3.837  -2.195  -4.461
  136   2HB   PRO  21          1HB       PRO  21  -2.729  -0.893  -4.897
  137   1HG   PRO  21          2HG       PRO  21  -2.217  -3.766  -4.588
  138   2HG   PRO  21          1HG       PRO  21  -1.391  -2.589  -5.595
  139   1HD   PRO  21          2HD       PRO  21  -0.445  -3.638  -3.195
  140   2HD   PRO  21          1HD       PRO  21   0.162  -2.183  -4.006
  141    H    THR  22           H        THR  22  -4.748  -0.545  -1.737
  142    HA   THR  22           HA       THR  22  -5.241  -2.617   0.211
  143    HB   THR  22           HB       THR  22  -7.102  -1.216   0.758
  144    HG1  THR  22           1HG      THR  22  -6.903   0.116  -1.709
  145   1HG2  THR  22          1HG2      THR  22  -5.345   0.819  -0.582
  146   2HG2  THR  22          2HG2      THR  22  -4.673  -0.178   0.709
  147   3HG2  THR  22          3HG2      THR  22  -6.065   0.856   1.028
  148    H    PHE  23           H        PHE  23  -6.354  -2.012  -3.080
  149    HA   PHE  23           HA       PHE  23  -8.234  -4.330  -2.889
  150   1HB   PHE  23          2HB       PHE  23  -7.973  -1.839  -4.521
  151   2HB   PHE  23          1HB       PHE  23  -8.743  -3.231  -5.282
  152    HD1  PHE  23           1HD      PHE  23 -11.024  -2.558  -5.338
  153    HD2  PHE  23           2HD      PHE  23  -8.800  -2.330  -1.671
  154    HE1  PHE  23           1HE      PHE  23 -13.119  -2.081  -4.099
  155    HE2  PHE  23           2HE      PHE  23 -10.894  -1.852  -0.430
  156    HZ   PHE  23           HZ       PHE  23 -13.054  -1.728  -1.645
  Start of MODEL   23
    1   1H    GLU   1          1HT       GLU   1   0.485  16.733  -6.013
    2   2H    GLU   1          2HT       GLU   1  -0.068  16.956  -4.422
    3   3H    GLU   1          3HT       GLU   1   0.366  15.406  -4.964
    4    HA   GLU   1           HA       GLU   1   2.497  17.326  -5.248
    5   1HB   GLU   1          2HB       GLU   1   0.881  17.104  -2.795
    6   2HB   GLU   1          1HB       GLU   1   2.609  16.866  -2.531
    7   1HG   GLU   1          2HG       GLU   1   1.922  19.113  -4.323
    8   2HG   GLU   1          1HG       GLU   1   1.416  19.318  -2.647
    9    H    ASN   2           H        ASN   2   3.488  15.532  -6.315
   10    HA   ASN   2           HA       ASN   2   3.935  13.096  -4.624
   11   1HB   ASN   2          2HB       ASN   2   3.602  13.653  -7.553
   12   2HB   ASN   2          1HB       ASN   2   4.563  12.256  -7.065
   13   1HD2  ASN   2          1HD2      ASN   2   1.307  13.709  -6.779
   14   2HD2  ASN   2          2HD2      ASN   2   0.519  12.259  -6.380
   15    H    PHE   3           H        PHE   3   5.940  13.176  -3.689
   16    HA   PHE   3           HA       PHE   3   8.350  13.366  -5.250
   17   1HB   PHE   3          2HB       PHE   3   7.235  15.772  -5.044
   18   2HB   PHE   3          1HB       PHE   3   8.014  15.749  -3.462
   19    HD1  PHE   3           1HD      PHE   3  10.441  15.715  -3.243
   20    HD2  PHE   3           2HD      PHE   3   8.565  15.700  -7.108
   21    HE1  PHE   3           1HE      PHE   3  12.618  16.254  -4.302
   22    HE2  PHE   3           2HE      PHE   3  10.741  16.241  -8.167
   23    HZ   PHE   3           HZ       PHE   3  12.768  16.516  -6.764
   24    H    ALA   4           H        ALA   4  10.254  13.070  -3.891
   25    HA   ALA   4           HA       ALA   4  11.334  12.066  -2.037
   26   1HB   ALA   4          1HB       ALA   4  11.234  13.508  -0.238
   27   2HB   ALA   4          2HB       ALA   4   9.471  13.557  -0.246
   28   3HB   ALA   4          3HB       ALA   4  10.386  14.509  -1.417
   29    H    GLY   5           H        GLY   5   9.947  10.073  -2.800
   30   1HA   GLY   5          2HA       GLY   5   9.100   8.079  -1.753
   31   2HA   GLY   5          1HA       GLY   5   8.524   9.063  -0.404
   32    H    GLY   6           H        GLY   6   7.251   7.137  -2.559
   33   1HA   GLY   6          2HA       GLY   6   4.698   8.529  -2.610
   34   2HA   GLY   6          1HA       GLY   6   5.444   8.442  -4.207
   35    H    CYS   7           H        CYS   7   3.085   7.154  -3.972
   36    HA   CYS   7           HA       CYS   7   3.893   4.282  -4.082
   37   1HB   CYS   7          2HB       CYS   7   1.656   5.544  -2.473
   38   2HB   CYS   7          1HB       CYS   7   1.756   3.811  -2.788
   39    H    ALA   8           H        ALA   8   1.355   3.234  -4.595
   40    HA   ALA   8           HA       ALA   8   0.785   4.410  -7.266
   41   1HB   ALA   8          1HB       ALA   8   0.922   1.800  -6.083
   42   2HB   ALA   8          2HB       ALA   8   0.711   2.220  -7.781
   43   3HB   ALA   8          3HB       ALA   8  -0.698   2.039  -6.738
   44    H    THR   9           H        THR   9  -1.800   3.749  -7.706
   45    HA   THR   9           HA       THR   9  -3.409   5.754  -6.760
   46    HB   THR   9           HB       THR   9  -4.313   4.359  -8.406
   47    HG1  THR   9           1HG      THR   9  -6.220   3.952  -7.582
   48   1HG2  THR   9          1HG2      THR   9  -3.239   2.348  -8.477
   49   2HG2  THR   9          2HG2      THR   9  -4.645   1.792  -7.569
   50   3HG2  THR   9          3HG2      THR   9  -3.158   2.216  -6.721
   51    H    GLY  10           H        GLY  10  -4.620   2.774  -5.413
   52   1HA   GLY  10          2HA       GLY  10  -4.726   4.086  -2.759
   53   2HA   GLY  10          1HA       GLY  10  -5.646   2.659  -3.240
   54    H    PHE  11           H        PHE  11  -2.157   3.481  -3.161
   55    HA   PHE  11           HA       PHE  11  -1.529   0.797  -2.115
   56   1HB   PHE  11          2HB       PHE  11  -0.378   3.015  -3.672
   57   2HB   PHE  11          1HB       PHE  11   0.735   2.272  -2.568
   58    HD1  PHE  11           1HD      PHE  11  -1.973   1.077  -4.890
   59    HD2  PHE  11           2HD      PHE  11   2.076   0.612  -3.544
   60    HE1  PHE  11           1HE      PHE  11  -1.618  -0.725  -6.552
   61    HE2  PHE  11           2HE      PHE  11   2.423  -1.194  -5.193
   62    HZ   PHE  11           HZ       PHE  11   0.579  -1.860  -6.706
   63    H    MET  12           H        MET  12  -1.415   0.698   0.144
   64    HA   MET  12           HA       MET  12  -0.820   3.188   1.669
   65   1HB   MET  12          2HB       MET  12  -2.749   1.365   1.971
   66   2HB   MET  12          1HB       MET  12  -1.501   0.552   2.915
   67   1HG   MET  12          2HG       MET  12  -2.072   1.891   4.639
   68   2HG   MET  12          1HG       MET  12  -1.366   3.228   3.730
   69   1HE   MET  12          1HE       MET  12  -5.201   3.476   5.413
   70   2HE   MET  12          2HE       MET  12  -3.617   4.193   5.695
   71   3HE   MET  12          3HE       MET  12  -3.817   2.446   5.804
   72    H    ARG  13           H        ARG  13   1.240   3.488   2.406
   73    HA   ARG  13           HA       ARG  13   3.467   1.891   1.991
   74   1HB   ARG  13          2HB       ARG  13   2.722   4.183   3.485
   75   2HB   ARG  13          1HB       ARG  13   3.612   3.137   4.593
   76   1HG   ARG  13          2HG       ARG  13   5.246   4.511   3.503
   77   2HG   ARG  13          1HG       ARG  13   5.375   2.910   2.771
   78   1HD   ARG  13          2HD       ARG  13   5.058   3.905   0.759
   79   2HD   ARG  13          1HD       ARG  13   3.400   4.270   1.276
   80    HE   ARG  13           HE       ARG  13   5.648   6.085   2.041
   81   1HH1  ARG  13          1HH2      ARG  13   2.478   6.145   2.437
   82   2HH1  ARG  13          2HH2      ARG  13   2.117   7.492   1.412
   83   1HH2  ARG  13          1HH1      ARG  13   5.243   7.530  -0.088
   84   2HH2  ARG  13          2HH1      ARG  13   3.682   8.278  -0.018
   85    H    THR  14           H        THR  14   4.176  -0.050   2.812
   86    HA   THR  14           HA       THR  14   2.594  -1.299   5.008
   87    HB   THR  14           HB       THR  14   3.799  -3.355   4.138
   88    HG1  THR  14           1HG      THR  14   4.997  -3.123   2.294
   89   1HG2  THR  14          1HG2      THR  14   2.416  -1.850   1.918
   90   2HG2  THR  14          2HG2      THR  14   1.535  -2.449   3.323
   91   3HG2  THR  14          3HG2      THR  14   2.371  -3.580   2.260
   92    H    ALA  15           H        ALA  15   3.655  -2.148   6.864
   93    HA   ALA  15           HA       ALA  15   5.663  -0.751   8.139
   94   1HB   ALA  15          1HB       ALA  15   4.942  -2.307   9.613
   95   2HB   ALA  15          2HB       ALA  15   6.056  -3.445   8.852
   96   3HB   ALA  15          3HB       ALA  15   4.381  -3.352   8.306
   97    H    ASP  16           H        ASP  16   6.075  -3.167   5.616
   98    HA   ASP  16           HA       ASP  16   8.903  -3.619   5.992
   99   1HB   ASP  16          2HB       ASP  16   6.808  -4.617   4.467
  100   2HB   ASP  16          1HB       ASP  16   7.840  -3.843   3.265
  101    H    GLY  17           H        GLY  17   7.191  -0.890   4.966
  102   1HA   GLY  17          2HA       GLY  17   8.115   1.200   4.303
  103   2HA   GLY  17          1HA       GLY  17   9.665   0.399   4.037
  104    H    ARG  18           H        ARG  18   6.456  -0.412   2.725
  105    HA   ARG  18           HA       ARG  18   7.442   0.308  -0.002
  106   1HB   ARG  18          2HB       ARG  18   6.462  -2.373   1.006
  107   2HB   ARG  18          1HB       ARG  18   6.569  -1.982  -0.711
  108   1HG   ARG  18          2HG       ARG  18   8.935  -1.696  -0.601
  109   2HG   ARG  18          1HG       ARG  18   8.921  -1.672   1.163
  110   1HD   ARG  18          2HD       ARG  18   9.703  -3.871   0.227
  111   2HD   ARG  18          1HD       ARG  18   8.236  -4.038   1.214
  112    HE   ARG  18           HE       ARG  18   6.931  -4.232  -0.830
  113   1HH1  ARG  18          1HH2      ARG  18   9.769  -5.728  -1.097
  114   2HH1  ARG  18          2HH2      ARG  18  10.002  -5.508  -2.799
  115   1HH2  ARG  18          1HH1      ARG  18   7.462  -3.166  -3.111
  116   2HH2  ARG  18          2HH1      ARG  18   8.695  -4.056  -3.940
  117    H    CYS  19           H        CYS  19   5.660   0.384  -1.593
  118    HA   CYS  19           HA       CYS  19   3.146   1.370  -0.401
  119   1HB   CYS  19          2HB       CYS  19   4.247   1.196  -3.221
  120   2HB   CYS  19          1HB       CYS  19   2.807   2.099  -2.746
  121    H    LYS  20           H        LYS  20   1.371   0.039  -0.239
  122    HA   LYS  20           HA       LYS  20   1.162  -2.291  -2.119
  123   1HB   LYS  20          2HB       LYS  20   1.929  -3.122   0.003
  124   2HB   LYS  20          1HB       LYS  20   0.777  -2.117   0.882
  125   1HG   LYS  20          2HG       LYS  20  -1.057  -3.403  -0.376
  126   2HG   LYS  20          1HG       LYS  20   0.209  -4.547  -0.821
  127   1HD   LYS  20          2HD       LYS  20  -0.569  -5.505   1.151
  128   2HD   LYS  20          1HD       LYS  20   0.738  -4.494   1.768
  129   1HE   LYS  20          2HE       LYS  20  -1.080  -3.952   3.187
  130   2HE   LYS  20          1HE       LYS  20  -1.124  -2.655   1.977
  131   1HZ   LYS  20          1HZ       LYS  20  -3.212  -4.229   2.498
  132   2HZ   LYS  20          2HZ       LYS  20  -2.480  -5.120   1.251
  133   3HZ   LYS  20          3HZ       LYS  20  -2.945  -3.507   0.986
  134    HA   PRO  21           HA       PRO  21  -2.793  -0.397  -2.683
  135   1HB   PRO  21          2HB       PRO  21  -3.812  -2.281  -4.393
  136   2HB   PRO  21          1HB       PRO  21  -2.727  -0.977  -4.882
  137   1HG   PRO  21          2HG       PRO  21  -2.170  -3.831  -4.488
  138   2HG   PRO  21          1HG       PRO  21  -1.363  -2.672  -5.532
  139   1HD   PRO  21          2HD       PRO  21  -0.407  -3.637  -3.095
  140   2HD   PRO  21          1HD       PRO  21   0.196  -2.215  -3.961
  141    H    THR  22           H        THR  22  -4.598  -0.524  -1.514
  142    HA   THR  22           HA       THR  22  -5.047  -2.698   0.346
  143    HB   THR  22           HB       THR  22  -6.753  -1.241   1.152
  144    HG1  THR  22           1HG      THR  22  -6.717  -0.018  -1.408
  145   1HG2  THR  22          1HG2      THR  22  -4.284  -0.305   0.889
  146   2HG2  THR  22          2HG2      THR  22  -5.583   0.747   1.453
  147   3HG2  THR  22          3HG2      THR  22  -5.060   0.814  -0.230
  148    H    PHE  23           H        PHE  23  -5.419  -4.576  -1.005
  149    HA   PHE  23           HA       PHE  23  -7.892  -4.500  -2.689
  150   1HB   PHE  23          2HB       PHE  23  -5.251  -5.676  -2.865
  151   2HB   PHE  23          1HB       PHE  23  -6.484  -6.930  -2.994
  152    HD1  PHE  23           1HD      PHE  23  -8.317  -6.699  -4.709
  153    HD2  PHE  23           2HD      PHE  23  -4.901  -4.097  -4.619
  154    HE1  PHE  23           1HE      PHE  23  -8.795  -5.990  -7.037
  155    HE2  PHE  23           2HE      PHE  23  -5.380  -3.388  -6.947
  156    HZ   PHE  23           HZ       PHE  23  -7.326  -4.335  -8.155
  Start of MODEL   24
    1   1H    GLU   1          1HT       GLU   1   1.720  21.022   4.763
    2   2H    GLU   1          2HT       GLU   1   3.197  21.858   4.688
    3   3H    GLU   1          3HT       GLU   1   3.105  20.362   5.488
    4    HA   GLU   1           HA       GLU   1   2.283  19.553   3.124
    5   1HB   GLU   1          2HB       GLU   1   3.148  22.290   2.860
    6   2HB   GLU   1          1HB       GLU   1   4.203  21.251   1.900
    7   1HG   GLU   1          2HG       GLU   1   2.593  20.998   0.351
    8   2HG   GLU   1          1HG       GLU   1   1.487  20.372   1.574
    9    H    ASN   2           H        ASN   2   3.526  17.728   3.062
   10    HA   ASN   2           HA       ASN   2   6.414  17.949   3.848
   11   1HB   ASN   2          2HB       ASN   2   6.048  15.503   4.464
   12   2HB   ASN   2          1HB       ASN   2   5.131  16.658   5.431
   13   1HD2  ASN   2          1HD2      ASN   2   2.812  16.717   5.164
   14   2HD2  ASN   2          2HD2      ASN   2   1.978  15.560   4.244
   15    H    PHE   3           H        PHE   3   7.841  16.349   2.714
   16    HA   PHE   3           HA       PHE   3   6.809  15.616  -0.007
   17   1HB   PHE   3          2HB       PHE   3   9.048  17.317   0.896
   18   2HB   PHE   3          1HB       PHE   3   9.481  16.153  -0.356
   19    HD1  PHE   3           1HD      PHE   3   8.957  16.589  -2.606
   20    HD2  PHE   3           2HD      PHE   3   6.897  18.722   0.503
   21    HE1  PHE   3           1HE      PHE   3   7.856  18.015  -4.312
   22    HE2  PHE   3           2HE      PHE   3   5.796  20.145  -1.203
   23    HZ   PHE   3           HZ       PHE   3   6.275  19.792  -3.610
   24    H    ALA   4           H        ALA   4   6.533  13.431   0.960
   25    HA   ALA   4           HA       ALA   4   8.938  11.795   0.628
   26   1HB   ALA   4          1HB       ALA   4   8.400  10.939   3.115
   27   2HB   ALA   4          2HB       ALA   4   7.835  12.601   3.285
   28   3HB   ALA   4          3HB       ALA   4   9.506  12.281   2.817
   29    H    GLY   5           H        GLY   5   7.291  10.997  -0.979
   30   1HA   GLY   5          2HA       GLY   5   5.800   8.740   0.155
   31   2HA   GLY   5          1HA       GLY   5   4.789   9.974  -0.599
   32    H    GLY   6           H        GLY   6   5.487   7.123  -1.396
   33   1HA   GLY   6          2HA       GLY   6   5.850   7.712  -4.249
   34   2HA   GLY   6          1HA       GLY   6   7.147   6.758  -3.528
   35    H    CYS   7           H        CYS   7   3.565   6.804  -3.607
   36    HA   CYS   7           HA       CYS   7   3.660   3.816  -3.882
   37   1HB   CYS   7          2HB       CYS   7   1.780   5.608  -2.314
   38   2HB   CYS   7          1HB       CYS   7   1.555   3.873  -2.510
   39    H    ALA   8           H        ALA   8   1.358   3.060  -4.694
   40    HA   ALA   8           HA       ALA   8   0.788   4.580  -7.164
   41   1HB   ALA   8          1HB       ALA   8  -0.852   2.275  -6.843
   42   2HB   ALA   8          2HB       ALA   8   0.755   1.865  -6.244
   43   3HB   ALA   8          3HB       ALA   8   0.553   2.462  -7.890
   44    H    THR   9           H        THR   9  -1.849   4.102  -7.618
   45    HA   THR   9           HA       THR   9  -3.313   6.120  -6.470
   46    HB   THR   9           HB       THR   9  -4.344   4.950  -8.210
   47    HG1  THR   9           1HG      THR   9  -5.786   5.322  -6.409
   48   1HG2  THR   9          1HG2      THR   9  -3.327   2.565  -6.753
   49   2HG2  THR   9          2HG2      THR   9  -3.330   2.910  -8.483
   50   3HG2  THR   9          3HG2      THR   9  -4.803   2.345  -7.693
   51    H    GLY  10           H        GLY  10  -4.672   3.096  -5.384
   52   1HA   GLY  10          2HA       GLY  10  -4.722   4.160  -2.628
   53   2HA   GLY  10          1HA       GLY  10  -5.659   2.791  -3.222
   54    H    PHE  11           H        PHE  11  -2.148   3.538  -3.111
   55    HA   PHE  11           HA       PHE  11  -1.587   0.773  -2.247
   56   1HB   PHE  11          2HB       PHE  11  -0.378   3.034  -3.685
   57   2HB   PHE  11          1HB       PHE  11   0.716   2.228  -2.610
   58    HD1  PHE  11           1HD      PHE  11   2.002   0.517  -3.577
   59    HD2  PHE  11           2HD      PHE  11  -1.957   1.252  -5.064
   60    HE1  PHE  11           1HE      PHE  11   2.333  -1.220  -5.303
   61    HE2  PHE  11           2HE      PHE  11  -1.627  -0.494  -6.787
   62    HZ   PHE  11           HZ       PHE  11   0.519  -1.728  -6.912
   63    H    MET  12           H        MET  12  -1.268   0.477  -0.027
   64    HA   MET  12           HA       MET  12  -0.802   2.875   1.674
   65   1HB   MET  12          2HB       MET  12  -2.633   1.500   2.345
   66   2HB   MET  12          1HB       MET  12  -1.695   0.021   2.127
   67   1HG   MET  12          2HG       MET  12  -0.678   0.216   4.155
   68   2HG   MET  12          1HG       MET  12  -0.525   1.967   4.019
   69   1HE   MET  12          1HE       MET  12  -3.915  -0.284   3.759
   70   2HE   MET  12          2HE       MET  12  -4.037  -0.531   5.499
   71   3HE   MET  12          3HE       MET  12  -2.580  -1.035   4.645
   72    H    ARG  13           H        ARG  13   1.100   3.140   2.821
   73    HA   ARG  13           HA       ARG  13   3.453   1.664   2.044
   74   1HB   ARG  13          2HB       ARG  13   3.049   4.100   2.949
   75   2HB   ARG  13          1HB       ARG  13   3.219   3.340   4.531
   76   1HG   ARG  13          2HG       ARG  13   5.408   4.096   3.873
   77   2HG   ARG  13          1HG       ARG  13   5.396   2.339   3.710
   78   1HD   ARG  13          2HD       ARG  13   5.746   2.462   1.468
   79   2HD   ARG  13          1HD       ARG  13   4.485   3.695   1.272
   80    HE   ARG  13           HE       ARG  13   6.124   5.403   1.767
   81   1HH1  ARG  13          1HH1      ARG  13   7.740   3.831   3.765
   82   2HH1  ARG  13          2HH1      ARG  13   9.220   3.578   2.901
   83   1HH2  ARG  13          1HH2      ARG  13   7.862   4.370  -0.189
   84   2HH2  ARG  13          2HH2      ARG  13   9.289   3.883   0.663
   85    H    THR  14           H        THR  14   4.104  -0.290   2.851
   86    HA   THR  14           HA       THR  14   2.792  -1.389   5.265
   87    HB   THR  14           HB       THR  14   4.409  -3.337   4.467
   88    HG1  THR  14           1HG      THR  14   5.596  -2.571   2.905
   89   1HG2  THR  14          1HG2      THR  14   2.152  -3.782   4.190
   90   2HG2  THR  14          2HG2      THR  14   2.660  -3.680   2.504
   91   3HG2  THR  14          3HG2      THR  14   1.867  -2.304   3.272
   92    H    ALA  15           H        ALA  15   3.944  -1.916   7.172
   93    HA   ALA  15           HA       ALA  15   5.894  -0.285   8.217
   94   1HB   ALA  15          1HB       ALA  15   6.044  -3.235   8.746
   95   2HB   ALA  15          2HB       ALA  15   4.544  -2.380   9.106
   96   3HB   ALA  15          3HB       ALA  15   6.045  -1.897   9.896
   97    H    ASP  16           H        ASP  16   6.411  -2.922   5.942
   98    HA   ASP  16           HA       ASP  16   9.273  -3.132   6.275
   99   1HB   ASP  16          2HB       ASP  16   7.380  -3.777   3.991
  100   2HB   ASP  16          1HB       ASP  16   9.058  -4.313   4.070
  101    H    GLY  17           H        GLY  17   7.278  -0.744   4.844
  102   1HA   GLY  17          2HA       GLY  17   8.112   1.364   4.038
  103   2HA   GLY  17          1HA       GLY  17   9.672   0.600   3.727
  104    H    ARG  18           H        ARG  18   6.456  -0.547   2.731
  105    HA   ARG  18           HA       ARG  18   7.259  -0.044  -0.115
  106   1HB   ARG  18          2HB       ARG  18   6.088  -2.573   1.081
  107   2HB   ARG  18          1HB       ARG  18   6.465  -2.326  -0.623
  108   1HG   ARG  18          2HG       ARG  18   8.544  -2.027   1.552
  109   2HG   ARG  18          1HG       ARG  18   8.240  -3.563   0.739
  110   1HD   ARG  18          2HD       ARG  18   9.113  -2.823  -1.281
  111   2HD   ARG  18          1HD       ARG  18   8.689  -1.129  -0.960
  112    HE   ARG  18           HE       ARG  18  10.499  -1.347   0.919
  113   1HH1  ARG  18          1HH2      ARG  18  11.012  -4.165  -0.398
  114   2HH1  ARG  18          2HH2      ARG  18  12.498  -3.821  -1.219
  115   1HH2  ARG  18          1HH1      ARG  18  12.203  -0.384  -0.876
  116   2HH2  ARG  18          2HH1      ARG  18  13.171  -1.682  -1.491
  117    H    CYS  19           H        CYS  19   5.458   0.115  -1.581
  118    HA   CYS  19           HA       CYS  19   2.967   1.115  -0.325
  119   1HB   CYS  19          2HB       CYS  19   4.068   1.092  -3.148
  120   2HB   CYS  19          1HB       CYS  19   2.653   1.999  -2.611
  121    H    LYS  20           H        LYS  20   1.181  -0.210  -0.242
  122    HA   LYS  20           HA       LYS  20   0.967  -2.435  -2.247
  123   1HB   LYS  20          2HB       LYS  20   1.305  -2.504   0.587
  124   2HB   LYS  20          1HB       LYS  20  -0.333  -3.057   0.237
  125   1HG   LYS  20          2HG       LYS  20   1.504  -4.194  -1.674
  126   2HG   LYS  20          1HG       LYS  20   2.065  -4.530  -0.037
  127   1HD   LYS  20          2HD       LYS  20  -0.411  -5.178   0.436
  128   2HD   LYS  20          1HD       LYS  20  -0.553  -5.286  -1.319
  129   1HE   LYS  20          2HE       LYS  20   1.738  -6.674   0.058
  130   2HE   LYS  20          1HE       LYS  20   0.136  -7.438   0.021
  131   1HZ   LYS  20          1HZ       LYS  20   0.969  -8.119  -1.987
  132   2HZ   LYS  20          2HZ       LYS  20   1.902  -6.718  -2.213
  133   3HZ   LYS  20          3HZ       LYS  20   0.221  -6.671  -2.458
  134    HA   PRO  21           HA       PRO  21  -2.894  -0.374  -2.876
  135   1HB   PRO  21          2HB       PRO  21  -3.897  -2.130  -4.729
  136   2HB   PRO  21          1HB       PRO  21  -2.755  -0.836  -5.097
  137   1HG   PRO  21          2HG       PRO  21  -2.294  -3.724  -4.830
  138   2HG   PRO  21          1HG       PRO  21  -1.420  -2.539  -5.789
  139   1HD   PRO  21          2HD       PRO  21  -0.564  -3.646  -3.382
  140   2HD   PRO  21          1HD       PRO  21   0.085  -2.183  -4.141
  141    H    THR  22           H        THR  22  -4.800  -0.502  -1.873
  142    HA   THR  22           HA       THR  22  -5.411  -2.719  -0.106
  143    HB   THR  22           HB       THR  22  -7.122  -1.233   0.642
  144    HG1  THR  22           1HG      THR  22  -6.881   0.057  -1.873
  145   1HG2  THR  22          1HG2      THR  22  -4.524  -0.294   0.194
  146   2HG2  THR  22          2HG2      THR  22  -5.717   0.418   1.280
  147   3HG2  THR  22          3HG2      THR  22  -5.564   1.011  -0.373
  148    H    PHE  23           H        PHE  23  -6.008  -4.605  -1.212
  149    HA   PHE  23           HA       PHE  23  -7.648  -4.623  -3.599
  150   1HB   PHE  23          2HB       PHE  23  -6.846  -6.699  -1.540
  151   2HB   PHE  23          1HB       PHE  23  -7.719  -7.095  -3.020
  152    HD1  PHE  23           1HD      PHE  23  -4.507  -6.645  -1.569
  153    HD2  PHE  23           2HD      PHE  23  -6.672  -6.181  -5.249
  154    HE1  PHE  23           1HE      PHE  23  -2.370  -6.655  -2.828
  155    HE2  PHE  23           2HE      PHE  23  -4.534  -6.190  -6.508
  156    HZ   PHE  23           HZ       PHE  23  -2.383  -6.426  -5.297
  Start of MODEL   25
    1   1H    GLU   1          1HT       GLU   1   4.168  13.825   1.770
    2   2H    GLU   1          2HT       GLU   1   3.871  13.136   0.245
    3   3H    GLU   1          3HT       GLU   1   2.651  13.150   1.427
    4    HA   GLU   1           HA       GLU   1   3.030  15.739   1.306
    5   1HB   GLU   1          2HB       GLU   1   4.531  14.493  -0.869
    6   2HB   GLU   1          1HB       GLU   1   3.384  15.694  -1.464
    7   1HG   GLU   1          2HG       GLU   1   4.392  17.042   0.651
    8   2HG   GLU   1          1HG       GLU   1   5.795  16.058   0.233
    9    H    ASN   2           H        ASN   2   0.804  14.710   1.827
   10    HA   ASN   2           HA       ASN   2  -1.487  14.550   1.268
   11   1HB   ASN   2          2HB       ASN   2  -0.759  16.743   0.191
   12   2HB   ASN   2          1HB       ASN   2  -0.588  15.847  -1.318
   13   1HD2  ASN   2          1HD2      ASN   2  -2.389  16.822  -2.424
   14   2HD2  ASN   2          2HD2      ASN   2  -3.995  16.613  -1.914
   15    H    PHE   3           H        PHE   3  -1.522  12.241   1.064
   16    HA   PHE   3           HA       PHE   3  -1.641  10.168  -0.083
   17   1HB   PHE   3          2HB       PHE   3  -3.261  12.220  -1.216
   18   2HB   PHE   3          1HB       PHE   3  -2.643  11.248  -2.550
   19    HD1  PHE   3           1HD      PHE   3  -3.415  10.228   0.959
   20    HD2  PHE   3           2HD      PHE   3  -4.454   9.881  -3.193
   21    HE1  PHE   3           1HE      PHE   3  -5.035   8.434   1.514
   22    HE2  PHE   3           2HE      PHE   3  -6.072   8.087  -2.639
   23    HZ   PHE   3           HZ       PHE   3  -6.364   7.363  -0.284
   24    H    ALA   4           H        ALA   4  -1.269   9.346  -2.615
   25    HA   ALA   4           HA       ALA   4   0.528   8.733  -4.042
   26   1HB   ALA   4          1HB       ALA   4   0.802  11.748  -4.138
   27   2HB   ALA   4          2HB       ALA   4  -0.535  10.884  -4.896
   28   3HB   ALA   4          3HB       ALA   4   1.119  10.601  -5.439
   29    H    GLY   5           H        GLY   5   1.356   8.672  -1.327
   30   1HA   GLY   5          2HA       GLY   5   3.797  10.218  -0.981
   31   2HA   GLY   5          1HA       GLY   5   3.263   8.889   0.050
   32    H    GLY   6           H        GLY   6   4.411   9.360  -3.313
   33   1HA   GLY   6          2HA       GLY   6   5.960   8.114  -4.561
   34   2HA   GLY   6          1HA       GLY   6   6.649   7.601  -3.019
   35    H    CYS   7           H        CYS   7   3.278   7.026  -3.672
   36    HA   CYS   7           HA       CYS   7   3.888   4.119  -4.109
   37   1HB   CYS   7          2HB       CYS   7   1.792   5.501  -2.406
   38   2HB   CYS   7          1HB       CYS   7   1.809   3.765  -2.716
   39    H    ALA   8           H        ALA   8   1.395   3.171  -4.649
   40    HA   ALA   8           HA       ALA   8   0.749   4.504  -7.217
   41   1HB   ALA   8          1HB       ALA   8   0.590   2.340  -7.816
   42   2HB   ALA   8          2HB       ALA   8  -0.802   2.169  -6.747
   43   3HB   ALA   8          3HB       ALA   8   0.822   1.845  -6.140
   44    H    THR   9           H        THR   9  -1.861   3.978  -7.616
   45    HA   THR   9           HA       THR   9  -3.357   5.992  -6.499
   46    HB   THR   9           HB       THR   9  -4.351   4.773  -8.230
   47    HG1  THR   9           1HG      THR   9  -6.261   4.360  -7.403
   48   1HG2  THR   9          1HG2      THR   9  -3.460   2.381  -6.650
   49   2HG2  THR   9          2HG2      THR   9  -3.179   2.763  -8.348
   50   3HG2  THR   9          3HG2      THR   9  -4.767   2.207  -7.821
   51    H    GLY  10           H        GLY  10  -4.720   2.995  -5.375
   52   1HA   GLY  10          2HA       GLY  10  -4.794   4.093  -2.640
   53   2HA   GLY  10          1HA       GLY  10  -5.687   2.683  -3.213
   54    H    PHE  11           H        PHE  11  -2.200   3.529  -3.106
   55    HA   PHE  11           HA       PHE  11  -1.570   0.807  -2.162
   56   1HB   PHE  11          2HB       PHE  11  -0.430   3.054  -3.676
   57   2HB   PHE  11          1HB       PHE  11   0.695   2.286  -2.602
   58    HD1  PHE  11           1HD      PHE  11  -2.048   1.152  -4.914
   59    HD2  PHE  11           2HD      PHE  11   2.013   0.630  -3.620
   60    HE1  PHE  11           1HE      PHE  11  -1.729  -0.629  -6.604
   61    HE2  PHE  11           2HE      PHE  11   2.322  -1.157  -5.298
   62    HZ   PHE  11           HZ       PHE  11   0.454  -1.784  -6.798
   63    H    MET  12           H        MET  12  -1.418   0.623   0.083
   64    HA   MET  12           HA       MET  12  -0.834   3.061   1.692
   65   1HB   MET  12          2HB       MET  12  -2.495   0.752   1.901
   66   2HB   MET  12          1HB       MET  12  -1.335   0.683   3.227
   67   1HG   MET  12          2HG       MET  12  -2.382   3.379   2.829
   68   2HG   MET  12          1HG       MET  12  -3.660   2.214   3.174
   69   1HE   MET  12          1HE       MET  12   0.242   2.263   4.663
   70   2HE   MET  12          2HE       MET  12  -0.185   3.654   5.657
   71   3HE   MET  12          3HE       MET  12  -0.439   3.715   3.915
   72    H    ARG  13           H        ARG  13   1.235   3.376   2.376
   73    HA   ARG  13           HA       ARG  13   3.468   1.805   1.890
   74   1HB   ARG  13          2HB       ARG  13   2.885   4.150   3.178
   75   2HB   ARG  13          1HB       ARG  13   3.424   3.145   4.524
   76   1HG   ARG  13          2HG       ARG  13   5.322   4.350   3.506
   77   2HG   ARG  13          1HG       ARG  13   5.494   2.606   3.298
   78   1HD   ARG  13          2HD       ARG  13   5.585   2.889   1.058
   79   2HD   ARG  13          1HD       ARG  13   3.976   3.640   1.088
   80    HE   ARG  13           HE       ARG  13   5.014   5.785   1.167
   81   1HH1  ARG  13          1HH1      ARG  13   7.148   4.021  -0.344
   82   2HH1  ARG  13          2HH1      ARG  13   8.592   4.659   0.370
   83   1HH2  ARG  13          1HH2      ARG  13   6.923   6.274   2.943
   84   2HH2  ARG  13          2HH2      ARG  13   8.463   5.937   2.229
   85    H    THR  14           H        THR  14   4.144  -0.167   2.627
   86    HA   THR  14           HA       THR  14   2.638  -1.491   4.800
   87    HB   THR  14           HB       THR  14   4.675  -3.165   3.882
   88    HG1  THR  14           1HG      THR  14   4.395  -2.826   1.561
   89   1HG2  THR  14          1HG2      THR  14   2.427  -3.927   4.141
   90   2HG2  THR  14          2HG2      THR  14   2.797  -4.088   2.424
   91   3HG2  THR  14          3HG2      THR  14   1.819  -2.736   2.993
   92    H    ALA  15           H        ALA  15   3.573  -2.082   6.780
   93    HA   ALA  15           HA       ALA  15   5.412  -0.530   8.109
   94   1HB   ALA  15          1HB       ALA  15   5.880  -3.146   9.020
   95   2HB   ALA  15          2HB       ALA  15   4.257  -3.187   8.331
   96   3HB   ALA  15          3HB       ALA  15   4.644  -2.035   9.610
   97    H    ASP  16           H        ASP  16   6.155  -3.066   5.781
   98    HA   ASP  16           HA       ASP  16   8.962  -3.321   6.415
   99   1HB   ASP  16          2HB       ASP  16   7.477  -4.917   5.139
  100   2HB   ASP  16          1HB       ASP  16   7.515  -3.782   3.790
  101    H    GLY  17           H        GLY  17   7.111  -0.939   4.714
  102   1HA   GLY  17          2HA       GLY  17   8.084   1.232   4.192
  103   2HA   GLY  17          1HA       GLY  17   9.640   0.435   3.952
  104    H    ARG  18           H        ARG  18   6.433  -0.449   2.658
  105    HA   ARG  18           HA       ARG  18   7.439   0.197  -0.087
  106   1HB   ARG  18          2HB       ARG  18   6.599  -2.444   1.070
  107   2HB   ARG  18          1HB       ARG  18   6.346  -2.129  -0.647
  108   1HG   ARG  18          2HG       ARG  18   8.667  -1.813  -1.043
  109   2HG   ARG  18          1HG       ARG  18   9.020  -1.655   0.677
  110   1HD   ARG  18          2HD       ARG  18   9.706  -3.868   0.193
  111   2HD   ARG  18          1HD       ARG  18   8.066  -4.099   0.834
  112    HE   ARG  18           HE       ARG  18   7.466  -4.850  -1.315
  113   1HH1  ARG  18          1HH2      ARG  18  10.652  -4.064  -1.627
  114   2HH1  ARG  18          2HH2      ARG  18  10.571  -3.523  -3.270
  115   1HH2  ARG  18          1HH1      ARG  18   7.106  -3.532  -3.379
  116   2HH2  ARG  18          2HH1      ARG  18   8.563  -3.220  -4.262
  117    H    CYS  19           H        CYS  19   5.658   0.212  -1.696
  118    HA   CYS  19           HA       CYS  19   3.149   1.265  -0.524
  119   1HB   CYS  19          2HB       CYS  19   4.280   1.119  -3.333
  120   2HB   CYS  19          1HB       CYS  19   2.868   2.056  -2.845
  121    H    LYS  20           H        LYS  20   1.466  -0.161  -0.275
  122    HA   LYS  20           HA       LYS  20   1.155  -2.347  -2.306
  123   1HB   LYS  20          2HB       LYS  20   1.999  -2.829   0.147
  124   2HB   LYS  20          1HB       LYS  20   0.297  -2.619   0.564
  125   1HG   LYS  20          2HG       LYS  20  -0.370  -4.495  -0.624
  126   2HG   LYS  20          1HG       LYS  20   0.983  -4.390  -1.751
  127   1HD   LYS  20          2HD       LYS  20   2.153  -4.772   0.779
  128   2HD   LYS  20          1HD       LYS  20   0.787  -5.887   0.720
  129   1HE   LYS  20          2HE       LYS  20   1.898  -6.159  -1.808
  130   2HE   LYS  20          1HE       LYS  20   3.319  -5.989  -0.757
  131   1HZ   LYS  20          1HZ       LYS  20   1.086  -7.653   0.162
  132   2HZ   LYS  20          2HZ       LYS  20   2.747  -7.802   0.484
  133   3HZ   LYS  20          3HZ       LYS  20   2.122  -8.295  -1.017
  134    HA   PRO  21           HA       PRO  21  -2.795  -0.407  -2.661
  135   1HB   PRO  21          2HB       PRO  21  -3.895  -2.218  -4.399
  136   2HB   PRO  21          1HB       PRO  21  -2.806  -0.913  -4.877
  137   1HG   PRO  21          2HG       PRO  21  -2.278  -3.784  -4.598
  138   2HG   PRO  21          1HG       PRO  21  -1.486  -2.600  -5.624
  139   1HD   PRO  21          2HD       PRO  21  -0.477  -3.668  -3.249
  140   2HD   PRO  21          1HD       PRO  21   0.126  -2.228  -4.087
  141    H    THR  22           H        THR  22  -4.599  -0.544  -1.493
  142    HA   THR  22           HA       THR  22  -5.018  -2.741   0.347
  143    HB   THR  22           HB       THR  22  -6.661  -1.271   1.243
  144    HG1  THR  22           1HG      THR  22  -6.717   0.224  -1.140
  145   1HG2  THR  22          1HG2      THR  22  -4.956   0.750  -0.192
  146   2HG2  THR  22          2HG2      THR  22  -4.211  -0.359   0.959
  147   3HG2  THR  22          3HG2      THR  22  -5.485   0.739   1.490
  148    H    PHE  23           H        PHE  23  -6.868  -1.464  -2.424
  149    HA   PHE  23           HA       PHE  23  -8.056  -4.178  -2.797
  150   1HB   PHE  23          2HB       PHE  23  -9.321  -1.849  -1.703
  151   2HB   PHE  23          1HB       PHE  23 -10.049  -2.184  -3.275
  152    HD1  PHE  23           1HD      PHE  23 -11.593  -3.947  -3.535
  153    HD2  PHE  23           2HD      PHE  23  -9.096  -3.804  -0.044
  154    HE1  PHE  23           1HE      PHE  23 -12.869  -5.830  -2.545
  155    HE2  PHE  23           2HE      PHE  23 -10.372  -5.686   0.946
  156    HZ   PHE  23           HZ       PHE  23 -12.258  -6.699  -0.304