*HEADER    TOXIN                                   21-DEC-00   1HRL              
*TITLE     STRUCTURE OF A PARALYTIC PEPTIDE FROM AN INSECT, MANDUCA              
*TITLE    2 SEXTA                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PARALYTIC PEPTIDE I;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PP I;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN THE                 
*SOURCE   4 TOBACCO HORNWORM, MANDUCA SEXTA                                      
*KEYWDS    PARALYTIC PEPTIDE, PLASMATOCYTE SPREADING PEPTIDE, ENF                
*KEYWDS   2 FAMILY                                                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    X.-Q.YU, O.PRAKASH, M.R.KANOST                                        
*REVDAT   1   10-JAN-01 1HRL    0                                                

!  This is the Noe distant constraints table for M. sexta paralytic 
!  peptide 1 (pp1)

SET MESSAGE off ECHO Off END  

!Intraresidue NOE (84)

assign (resid 1  and name HA ) (resid 1  and name CB ) 3.00  1.00  1.00

assign (resid 1  and name HB1 ) (resid 1  and name HG1 ) 3.00  1.00  0.50

assign (resid 1  and name HB2 ) (resid 1  and name HG2 ) 3.00  1.00  0.00

assign (resid 3  and name HN ) (resid 3  and name HB1 ) 3.00  1.00  1.00

assign (resid 3  and name HN ) (resid 3  and name HB2 ) 3.00  1.00  1.00

assign (resid 3  and name HB1 ) (resid 3  and name HD1 ) 3.00  1.00  0.00

assign (resid 3  and name HB2 ) (resid 3  and name HD2 ) 3.00  1.00  0.00

assign (resid 4  and name HN ) (resid 4  and name CB ) 3.00  1.00  1.50

assign (resid 4  and name HN ) (resid 4  and name HA ) 3.00  1.00  0.50

assign (resid 4  and name HA ) (resid 4  and name CB ) 3.00  1.00  1.50

assign (resid 5  and name HN ) (resid 5  and name CA ) 2.50  0.50  1.00

assign (resid 6  and name HN ) (resid 6  and name CA ) 2.50  0.50  1.00

assign (resid 7  and name HN ) (resid 7  and name HB1 ) 2.50  0.50  0.50

assign (resid 7  and name HN ) (resid 7  and name HB2 ) 3.50  1.50  0.50

assign (resid 8  and name HN ) (resid 8  and name CB ) 2.50  0.50  1.50

assign (resid 8  and name HN ) (resid 8  and name HA ) 3.00  1.00  0.50

assign (resid 8  and name HA ) (resid 8  and name CB ) 2.50  0.50  2.00

assign (resid 9  and name HN ) (resid 9  and name HB ) 2.50  0.50  0.00

assign (resid 9  and name HB ) (resid 9  and name CG2 ) 2.50  0.50  2.00

assign (resid 10  and name HN ) (resid 10  and name HA1 ) 2.50  0.50  0.50

assign (resid 10  and name HN ) (resid 10  and name HA2 ) 3.50  1.50  0.00

assign (resid 11  and name HA ) (resid 11  and name CB ) 3.00  1.00  1.00

assign (resid 11  and name HN ) (resid 11  and name HB2 ) 3.00  1.00  0.00

assign (resid 11  and name HN ) (resid 11  and name HB1 ) 3.50  1.50  0.00

assign (resid 11  and name HN ) (resid 11  and name CG ) 3.00  1.00  2.00

assign (resid 11  and name HD2 ) (resid 11  and name HB2 ) 2.50  0.50  0.50

assign (resid 11  and name HD1 ) (resid 11  and name HB1 ) 2.50  0.50  0.00

assign (resid 12  and name HA ) (resid 12  and name CB ) 3.00  1.00  1.00

assign (resid 12  and name HN ) (resid 12  and name CB ) 3.00  1.00  1.00

assign (resid 12  and name CB ) (resid 12  and name CD1 ) 2.50  0.50  2.00

assign (resid 13  and name HA ) (resid 13  and name CB ) 3.00  1.00  1.00

assign (resid 13  and name HA ) (resid 13  and name CD ) 3.50  1.50  1.00

assign (resid 13  and name HN ) (resid 13  and name CB ) 2.50  0.50  1.00

assign (resid 13  and name CB ) (resid 13  and name CD ) 2.50  0.50  2.00

assign (resid 13  and name CG ) (resid 13  and name CD ) 2.50  0.50  2.00

assign (resid 13  and name HE ) (resid 13  and name CD ) 2.50  0.50  1.00

assign (resid 13  and name HE ) (resid 13  and name CB ) 2.50  0.50  1.00

assign (resid 14  and name HA ) (resid 14  and name CG2 ) 3.00  1.00  1.00

assign (resid 14  and name HB ) (resid 14  and name CG2 ) 3.00  1.00  1.00

assign (resid 14  and name HN ) (resid 14  and name CG2 ) 3.00  1.00  1.50

assign (resid 15  and name HN ) (resid 15  and name CB ) 2.50  0.50  1.50

assign (resid 15  and name HN ) (resid 15  and name HA ) 3.00  1.00  0.00

assign (resid 15  and name HA ) (resid 15  and name CB ) 2.50  0.50  1.50

assign (resid 16  and name HN ) (resid 16  and name HB1 ) 3.00  1.00  0.00

assign (resid 16  and name HN ) (resid 16  and name HB2 ) 3.50  1.50  0.50

assign (resid 16  and name HN ) (resid 16  and name HA ) 3.50  1.50  0.00

assign (resid 16  and name HA ) (resid 16  and name HB1 ) 3.50  1.50  0.00

assign (resid 16  and name HA ) (resid 16  and name HB2 ) 3.00  1.00  0.00

assign (resid 17  and name HN ) (resid 17  and name HA1 ) 2.50  0.50  0.00

assign (resid 17  and name HN ) (resid 17  and name HA2 ) 3.50  1.50  0.00 

assign (resid 18  and name HN ) (resid 18  and name CB ) 2.50  0.50  1.00

assign (resid 18  and name HN ) (resid 18  and name HA ) 4.00  2.00  0.00

assign (resid 18  and name HA ) (resid 18  and name CB ) 3.00  1.00  1.00

assign (resid 18  and name HN ) (resid 18  and name CG ) 3.50  1.50  1.00

assign (resid 18  and name HA ) (resid 18  and name CG ) 3.50  1.50  1.00

assign (resid 18  and name CB ) (resid 18  and name CD ) 3.00  1.00  2.00

assign (resid 18  and name CG ) (resid 18  and name CD ) 2.50  0.50 2.00

assign (resid 18  and name HE ) (resid 18  and name CD ) 3.00  1.00 1.00

assign (resid 18  and name HE ) (resid 18  and name CB ) 4.00  2.00 1.00

assign (resid 18  and name HE ) (resid 18  and name CG ) 3.50  1.50 1.00

assign (resid 19  and name HN ) (resid 19  and name CB ) 2.50  0.50  1.00

assign (resid 19  and name HA ) (resid 19  and name CB ) 3.50  1.50  1.00

assign (resid 19  and name HA ) (resid 19  and name HN ) 3.00  1.00  1.00       

assign (resid 20  and name HA ) (resid 20  and name CG ) 4.00  2.00  1.00

assign (resid 20  and name HN ) (resid 20  and name HB1 ) 3.00  1.00  0.50

assign (resid 20  and name HN ) (resid 20  and name HB2 ) 3.50  1.50  0.00

assign (resid 20  and name HN ) (resid 20  and name HA ) 3.50  1.50  0.00

assign (resid 21  and name HA ) (resid 21  and name HB1 ) 2.50  0.50  0.00

assign (resid 21  and name HA ) (resid 21  and name HB2 ) 2.50  0.50  1.50

assign (resid 21  and name HA ) (resid 21  and name HG2 ) 4.00  2.00  0.00

assign (resid 21  and name HB2 ) (resid 21  and name HG1 ) 3.00  1.00  0.00

assign (resid 21  and name HB1 ) (resid 21  and name HG1 ) 3.00  1.00  0.00

assign (resid 21  and name HB1 ) (resid 21  and name HD1 ) 4.00  2.00  0.00

assign (resid 21  and name HG1 ) (resid 21  and name HD2 ) 3.00  1.00  0.50

assign (resid 21  and name HG2 ) (resid 21  and name HD2 ) 2.50  0.50  0.50

assign (resid 21  and name HG1 ) (resid 21  and name HD1 ) 3.00  1.00  0.00

assign (resid 21  and name HG2 ) (resid 21  and name HD1 ) 3.00  1.00  0.00

assign (resid 22  and name HN ) (resid 22  and name HB ) 3.00  1.00  0.00

assign (resid 22  and name HN ) (resid 22  and name CG2 ) 3.00  1.00  1.50

assign (resid 22  and name HB ) (resid 22  and name CG2 ) 2.50  0.50  1.50

assign (resid 23  and name HN ) (resid 23  and name CB ) 3.50  1.50  1.00

assign (resid 23  and name HN ) (resid 23  and name HA ) 3.50  1.50 0.00

assign (resid 23  and name HA ) (resid 23  and name CB ) 3.00  1.00  1.00

assign (resid 23  and name CB ) (resid 23  and name CG ) 2.50  0.50  2.50


!Sequencial NOE (43)

assign (resid 1  and name HA ) (resid 2  and name HN ) 3.00  1.00  0.00

assign (resid 1  and name HG1 ) (resid 2  and name CB ) 2.50  0.50  1.00

assign (resid 2  and name HA ) (resid 3  and name HN ) 3.00  1.00  0.00

assign (resid 3  and name HA ) (resid 4  and name HN ) 3.50  1.50  0.50

assign (resid 4  and name HA ) (resid 5  and name HN ) 3.00  1.00  0.00 

assign (resid 4  and name HN ) (resid 5  and name HN ) 3.00  1.00  0.50

assign (resid 4  and name CB ) (resid 5  and name HN ) 3.50  1.50  1.50

assign (resid 5  and name CA ) (resid 6  and name HN ) 2.50  0.50  1.00

assign (resid 5  and name HN ) (resid 6  and name HN ) 3.00  1.00  0.00

assign (resid 6  and name CA ) (resid 7  and name HN ) 2.50  0.50  1.00

assign (resid 7  and name HB1 ) (resid 8  and name HN ) 3.50  1.50  0.50

assign (resid 7  and name HB2 ) (resid 8  and name HN ) 3.00  1.00  1.00

assign (resid 8  and name HA ) (resid 9  and name HN ) 2.50  0.50  0.50

assign (resid 8  and name CB ) (resid 9  and name HN ) 2.50  0.50  1.50

assign (resid 9  and name HA ) (resid 10  and name HN ) 2.50  0.50  0.00

assign (resid 9  and name CG2 ) (resid 10  and name HN ) 3.00  1.00  1.50

assign (resid 10  and name HA1 ) (resid 11  and name HN ) 4.00  2.00  0.00

assign (resid 10  and name HN ) (resid 11  and name HN ) 2.50  0.50  0.50

assign (resid 11  and name HA ) (resid 12  and name HN ) 2.50  0.50  0.50

assign (resid 11  and name HB1 ) (resid 12  and name HN ) 3.00  1.00  0.50

assign (resid 11  and name HB2 ) (resid 12  and name HN ) 4.00  2.00  0.00   

assign (resid 12  and name HA ) (resid 13  and name HN ) 3.00  1.00  0.50

assign (resid 12  and name CB ) (resid 13  and name HN ) 3.00  1.00  1.00

assign (resid 13  and name HA ) (resid 14  and name HN ) 3.50  1.50  0.00

assign (resid 13  and name CB ) (resid 14  and name HN ) 3.50  1.50  1.00

assign (resid 14  and name HA ) (resid 15  and name HN ) 3.00  1.00  0.50

assign (resid 14  and name HB ) (resid 15  and name HN ) 3.00  1.00  0.50

assign (resid 15  and name HA ) (resid 16  and name HN ) 3.00  1.00  0.00

assign (resid 15  and name HN ) (resid 16  and name HN ) 3.00  1.00  0.50

assign (resid 15  and name CB ) (resid 16  and name HN ) 3.00  1.00  1.50

assign (resid 16  and name HN ) (resid 17  and name HN ) 2.50  0.50  0.00   

assign (resid 17  and name HA1 ) (resid 18  and name HN ) 4.00  2.00  0.00

assign (resid 17  and name HN ) (resid 18  and name HN ) 2.50  0.50  0.50

assign (resid 18  and name HA ) (resid 19  and name HN ) 3.00  1.00  0.00

assign (resid 18  and name CB ) (resid 19  and name HN ) 2.50  0.50  1.00

assign (resid 19  and name HA ) (resid 20  and name HN ) 3.00  1.00  1.00

assign (resid 19  and name CB ) (resid 20  and name HN ) 4.00  2.00 1.00

assign (resid 20  and name HA ) (resid 21  and name CD ) 3.00  1.00  1.00

assign (resid 21  and name HA ) (resid 22  and name HN ) 2.50  0.50  0.00

assign (resid 21  and name HB2 ) (resid 22  and name HN ) 4.00  2.00 0.00

assign (resid 21  and name HB1 ) (resid 22  and name HN ) 4.00  2.00 0.00

assign (resid 22  and name HN ) (resid 23  and name HN ) 3.00  1.00  0.50

assign (resid 22  and name HA ) (resid 23  and name HN ) 2.50  0.50  0.50

!Medium range NOE (13)

assign (resid 4  and name HA ) (resid 6  and name HN ) 5.00  3.00  0.00   

assign (resid 7  and name HB1 ) (resid 11 and name HB2 ) 4.00  2.00  1.00

assign (resid 7  and name HB2 ) (resid 11  and name HB2 ) 3.00  1.00  1.00

assign (resid 7  and name HB2 ) (resid 11  and name HB1 ) 4.00  2.00  1.00

assign (resid 7  and name HB2 ) (resid 11  and name CG ) 4.00  2.00  1.00

assign (resid 8  and name HN ) (resid 11  and name HB2 ) 4.00  2.00  1.00

assign (resid 9  and name HA ) (resid 11  and name HN ) 4.00  2.00  0.00

assign (resid 11  and name CG ) (resid 14  and name CG2 ) 4.00  2.00  3.50

assign (resid 11  and name CZ ) (resid 14  and name CG2 ) 5.00  3.00  3.50

assign (resid 14  and name HN ) (resid 18  and name HN ) 4,00  2.00  1.00

assign (resid 15  and name HA ) (resid 17  and name HN ) 5.00  3.00  0.00   

assign (resid 20  and name NZ ) (resid 23  and name HZ ) 2.50  0.50  1.00

assign (resid 21  and name HB1 ) (resid 23  and name HN ) 4.00  2.00  1.00

!Long range NOE (18)

assign (resid 2  and name CB ) (resid 11  and name HB2 ) 4.00  2.00  1.00

assign (resid 3  and name HB2 ) (resid 11  and name CZ ) 5.00  3.00  2.00

assign (resid 7  and name HB2 ) (resid 18  and name HA )  4.00  2.00  1.00

assign (resid 7  and name HB2 ) (resid 19  and name CB ) 5.00  3.00  1.00

assign (resid 11  and name HB2 ) (resid 19  and name CB ) 4.00  2.00  2.00

assign (resid 11  and name HB1 ) (resid 19  and name CB ) 3.00  1.00  1.00

assign (resid 11  and name CG ) (resid 19  and name CB ) 3.00  1.00  3.00

assign (resid 11  and name HA ) (resid 21  and name HA ) 4.00  2.00  0.00

assign (resid 11  and name CG ) (resid 21  and name HA ) 5.00  3.00  2.00

assign (resid 11  and name CZ ) (resid 21  and name HB2 ) 5.00  3.00  2.00

assign (resid 11  and name CZ ) (resid 21  and name HB1 ) 5.00  3.00  2.00

assign (resid 11  and name CZ ) (resid 21  and name HG2 ) 5.00  3.00  2.00

assign (resid 11  and name CZ ) (resid 21  and name HD2 ) 5.00  3.00  2.00

assign (resid 12  and name HN ) (resid 20  and name HN ) 4.00  2.00  0.00

assign (resid 12  and name CB ) (resid 22  and name CG2 ) 3.00  1.00  3.50

assign (resid 13  and name HA ) (resid 20  and name HN ) 4.00  1.00  0.00

assign (resid 14  and name CG2 ) (resid 20  and name HB2 )  4.00  2.00 1.50

assign (resid 14  and name CG2 ) (resid 20  and name CD )  4.00  2.00 2.50

!Hydrogen Bonds (20)
 
assign (resid 8  and name O ) (resid 11  and name HN ) 1.90  0.30  0.40

assign (resid 8  and name O ) (resid 11  and name N ) 2.70  0.30  0.60

assign (resid 3  and name O ) (resid 6  and name HN ) 1.90  0.30  0.40

assign (resid 3  and name O ) (resid 6  and name N ) 2.70  0.30  0.60

assign (resid 20  and name O ) (resid 12  and name HN ) 1.90  0.30  0.40

assign (resid 20  and name O ) (resid 12  and name N ) 2.70  0.30  0.60

assign (resid 12  and name O ) (resid 20  and name HN ) 1.90  0.30  0.40

assign (resid 12  and name O ) (resid 20  and name N ) 2.70  0.30  0.60

assign (resid 18  and name O ) (resid 14  and name HN ) 1.90  0.30  0.40

assign (resid 18  and name O ) (resid 14  and name N ) 2.70  0.30  0.60

assign (resid 14  and name O ) (resid 18  and name HN ) 1.90  0.30  0.40

assign (resid 14  and name O ) (resid 18  and name N ) 2.70  0.30  0.60

assign (resid 14  and name O ) (resid 17  and name HN )  1.90  0.30  0.40

assign (resid 14  and name O ) (resid 17  and name N )  2.70  0.30  0.60

assign (resid 16  and name OD2 ) (resid 16  and name HN ) 1.90  0.30  0.40

assign (resid 16  and name OD2 ) (resid 16  and name N ) 2.70  0.30  0.60

assign (resid 21  and name O ) (resid 23  and name HN ) 1.90  0.30  0.40

assign (resid 21  and name O ) (resid 23  and name N ) 2.70  0.30  0.60

assign (resid 10  and name O ) (resid 22  and name HN ) 1.90  0.30  0.40

assign (resid 10  and name O ) (resid 22  and name N ) 2.70  0.30  0.60

!Disulfide bond (2)

assign (resid 7  and name CB ) (resid 19  and name SG ) 2.99  0.10  0.10

assign (resid 7  and name SG ) (resid 19  and name SG ) 2.02  0.10  0.10


set message on echo on end  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   0          HT1       GLU   0  24.549  -6.847  -2.570
    2   2H    GLU   0          HT2       GLU   0  24.212  -6.385  -0.971
    3   3H    GLU   0          HT3       GLU   0  24.999  -5.306  -2.021
    4    HA   GLU   0           HA       GLU   0  23.085  -4.504  -2.748
    5   1HB   GLU   0          HB2       GLU   0  23.057  -6.366  -4.355
    6   2HB   GLU   0          HB1       GLU   0  22.286  -7.403  -3.154
    7   1HG   GLU   0          HG2       GLU   0  20.520  -6.582  -4.544
    8   2HG   GLU   0          HG1       GLU   0  20.420  -5.665  -3.040
    9    H    ASN   1           HN       ASN   1  20.965  -3.994  -1.952
   10    HA   ASN   1           HA       ASN   1  20.522  -4.094   0.771
   11   1HB   ASN   1          HB2       ASN   1  18.295  -4.303  -1.273
   12   2HB   ASN   1          HB1       ASN   1  18.208  -3.566   0.328
   13   1HD2  ASN   1          HD21      ASN   1  17.942  -2.406  -2.543
   14   2HD2  ASN   1          HD22      ASN   1  18.989  -1.071  -2.530
   15    H    PHE   2           HN       PHE   2  19.371  -5.483   2.195
   16    HA   PHE   2           HA       PHE   2  18.967  -8.249   1.131
   17   1HB   PHE   2          HB2       PHE   2  19.158  -8.597   3.835
   18   2HB   PHE   2          HB1       PHE   2  20.517  -8.745   2.724
   19    HD1  PHE   2           HD1      PHE   2  22.400  -7.383   3.008
   20    HD2  PHE   2           HD2      PHE   2  18.654  -6.184   4.735
   21    HE1  PHE   2           HE1      PHE   2  23.526  -5.479   4.129
   22    HE2  PHE   2           HE2      PHE   2  19.781  -4.279   5.855
   23    HZ   PHE   2           HZ       PHE   2  22.217  -3.928   5.552
   24    H    ALA   3           HN       ALA   3  17.448  -9.441   2.950
   25    HA   ALA   3           HA       ALA   3  15.245  -9.631   3.735
   26   1HB   ALA   3          HB1       ALA   3  16.060  -6.856   4.411
   27   2HB   ALA   3          HB2       ALA   3  15.395  -8.118   5.449
   28   3HB   ALA   3          HB3       ALA   3  14.325  -7.173   4.412
   29    H    GLY   4           HN       GLY   4  15.421  -9.642   1.022
   30   1HA   GLY   4          HA2       GLY   4  13.588  -9.572  -0.577
   31   2HA   GLY   4          HA1       GLY   4  12.979  -8.130   0.237
   32    H    GLY   5           HN       GLY   5  15.629  -6.867   0.400
   33   1HA   GLY   5          HA2       GLY   5  17.325  -6.055  -1.186
   34   2HA   GLY   5          HA1       GLY   5  16.182  -6.370  -2.492
   35    H    CYS   6           HN       CYS   6  15.960  -4.303  -3.322
   36    HA   CYS   6           HA       CYS   6  15.577  -1.992  -1.573
   37   1HB   CYS   6          HB2       CYS   6  16.693  -1.526  -3.600
   38   2HB   CYS   6          HB1       CYS   6  15.521  -2.420  -4.560
   39    H    ALA   7           HN       ALA   7  13.620  -4.319  -3.183
   40    HA   ALA   7           HA       ALA   7  11.167  -2.947  -3.485
   41   1HB   ALA   7          HB1       ALA   7  12.024  -5.582  -3.743
   42   2HB   ALA   7          HB2       ALA   7  10.385  -4.998  -4.032
   43   3HB   ALA   7          HB3       ALA   7  10.819  -5.662  -2.457
   44    H    THR   8           HN       THR   8   9.379  -4.452  -1.780
   45    HA   THR   8           HA       THR   8   8.934  -2.764   0.354
   46    HB   THR   8           HB       THR   8   8.526  -5.761   0.213
   47    HG1  THR   8           HG1      THR   8   6.405  -5.091  -0.234
   48   1HG2  THR   8          HG21      THR   8   7.830  -5.762   2.352
   49   2HG2  THR   8          HG22      THR   8   6.744  -4.411   2.028
   50   3HG2  THR   8          HG23      THR   8   8.413  -4.105   2.509
   51    H    GLY   9           HN       GLY   9  10.329  -2.101   1.908
   52   1HA   GLY   9          HA2       GLY   9  11.366  -3.130   4.061
   53   2HA   GLY   9          HA1       GLY   9  12.352  -4.047   2.922
   54    H    TYR  10           HN       TYR  10  12.651  -1.884   1.008
   55    HA   TYR  10           HA       TYR  10  14.449  -0.096   2.586
   56   1HB   TYR  10          HB2       TYR  10  14.741  -1.478  -0.046
   57   2HB   TYR  10          HB1       TYR  10  15.516   0.085   0.162
   58    HD1  TYR  10           HD1      TYR  10  17.796  -0.255   0.530
   59    HD2  TYR  10           HD2      TYR  10  14.947  -2.764   2.532
   60    HE1  TYR  10           HE1      TYR  10  19.636  -1.322   1.805
   61    HE2  TYR  10           HE2      TYR  10  16.785  -3.833   3.808
   62    HH   TYR  10           HH       TYR  10  19.296  -2.937   4.508
   63    H    LEU  11           HN       LEU  11  14.572   2.106   1.879
   64    HA   LEU  11           HA       LEU  11  12.105   3.042   0.525
   65   1HB   LEU  11          HB2       LEU  11  14.259   4.679   1.898
   66   2HB   LEU  11          HB1       LEU  11  12.654   5.230   1.417
   67    HG   LEU  11           HG       LEU  11  13.138   2.992   3.401
   68   1HD1  LEU  11          HD11      LEU  11  12.473   5.915   3.876
   69   2HD1  LEU  11          HD12      LEU  11  13.989   5.118   4.296
   70   3HD1  LEU  11          HD13      LEU  11  12.496   4.664   5.118
   71   1HD2  LEU  11          HD21      LEU  11  10.963   2.982   2.188
   72   2HD2  LEU  11          HD22      LEU  11  10.669   4.631   2.738
   73   3HD2  LEU  11          HD23      LEU  11  10.759   3.314   3.908
   74    H    ARG  12           HN       ARG  12  12.465   4.925  -1.062
   75    HA   ARG  12           HA       ARG  12  14.553   4.077  -2.950
   76   1HB   ARG  12          HB2       ARG  12  13.473   5.582  -4.527
   77   2HB   ARG  12          HB1       ARG  12  12.232   4.631  -3.711
   78   1HG   ARG  12          HG2       ARG  12  12.543   6.820  -2.039
   79   2HG   ARG  12          HG1       ARG  12  12.695   7.520  -3.651
   80   1HD   ARG  12          HD2       ARG  12  10.384   7.551  -3.511
   81   2HD   ARG  12          HD1       ARG  12  10.572   5.898  -4.097
   82    HE   ARG  12           HE       ARG  12  10.720   5.834  -1.261
   83   1HH1  ARG  12          HH21      ARG  12   8.762   4.725  -3.570
   84   2HH1  ARG  12          HH22      ARG  12   7.252   5.067  -2.793
   85   1HH2  ARG  12          HH11      ARG  12   8.666   7.075  -0.344
   86   2HH2  ARG  12          HH12      ARG  12   7.198   6.398  -0.965
   87    H    THR  13           HN       THR  13  16.551   4.907  -2.750
   88    HA   THR  13           HA       THR  13  16.950   7.520  -1.439
   89    HB   THR  13           HB       THR  13  19.207   6.912  -1.229
   90    HG1  THR  13           HG1      THR  13  19.672   4.867  -2.715
   91   1HG2  THR  13          HG21      THR  13  17.311   5.124  -0.426
   92   2HG2  THR  13          HG22      THR  13  19.027   4.977  -0.045
   93   3HG2  THR  13          HG23      THR  13  18.347   4.091  -1.410
   94    H    ALA  14           HN       ALA  14  17.486   9.367  -2.536
   95    HA   ALA  14           HA       ALA  14  17.068   9.505  -5.363
   96   1HB   ALA  14          HB1       ALA  14  16.654  11.397  -3.796
   97   2HB   ALA  14          HB2       ALA  14  17.671  11.857  -5.160
   98   3HB   ALA  14          HB3       ALA  14  18.397  11.556  -3.581
   99    H    ASP  15           HN       ASP  15  19.650   8.276  -3.810
  100    HA   ASP  15           HA       ASP  15  21.685   9.308  -5.681
  101   1HB   ASP  15          HB2       ASP  15  23.143   7.609  -4.380
  102   2HB   ASP  15          HB1       ASP  15  22.567   9.022  -3.495
  103    H    GLY  16           HN       GLY  16  19.245   7.462  -6.215
  104   1HA   GLY  16          HA2       GLY  16  18.788   5.838  -7.807
  105   2HA   GLY  16          HA1       GLY  16  20.492   5.887  -8.225
  106    H    ARG  17           HN       ARG  17  18.808   5.049  -5.188
  107    HA   ARG  17           HA       ARG  17  19.617   2.235  -5.436
  108   1HB   ARG  17          HB2       ARG  17  21.377   4.121  -4.175
  109   2HB   ARG  17          HB1       ARG  17  20.735   3.041  -2.939
  110   1HG   ARG  17          HG2       ARG  17  21.424   1.569  -5.345
  111   2HG   ARG  17          HG1       ARG  17  22.812   2.475  -4.739
  112   1HD   ARG  17          HD2       ARG  17  21.423   1.269  -2.505
  113   2HD   ARG  17          HD1       ARG  17  21.771   0.028  -3.708
  114    HE   ARG  17           HE       ARG  17  23.735   1.411  -2.071
  115   1HH1  ARG  17          HH11      ARG  17  23.523  -1.375  -3.617
  116   2HH1  ARG  17          HH12      ARG  17  24.980  -1.264  -4.548
  117   1HH2  ARG  17          HH21      ARG  17  25.445   2.112  -3.910
  118   2HH2  ARG  17          HH22      ARG  17  26.068   0.710  -4.714
  119    H    CYS  18           HN       CYS  18  19.519   1.693  -2.621
  120    HA   CYS  18           HA       CYS  18  16.844   2.709  -1.820
  121   1HB   CYS  18          HB2       CYS  18  17.317   0.112  -2.893
  122   2HB   CYS  18          HB1       CYS  18  17.003  -0.078  -1.168
  123    H    LYS  19           HN       LYS  19  16.821   3.187   0.324
  124    HA   LYS  19           HA       LYS  19  19.158   2.343   1.940
  125   1HB   LYS  19          HB2       LYS  19  18.808   4.267   3.197
  126   2HB   LYS  19          HB1       LYS  19  18.224   4.788   1.633
  127   1HG   LYS  19          HG2       LYS  19  16.062   4.935   2.337
  128   2HG   LYS  19          HG1       LYS  19  16.180   3.523   3.378
  129   1HD   LYS  19          HD2       LYS  19  16.101   5.108   5.026
  130   2HD   LYS  19          HD1       LYS  19  17.836   5.172   4.714
  131   1HE   LYS  19          HE2       LYS  19  16.877   6.876   2.793
  132   2HE   LYS  19          HE1       LYS  19  15.747   7.165   4.116
  133   1HZ   LYS  19          HZ1       LYS  19  18.251   7.023   5.264
  134   2HZ   LYS  19          HZ2       LYS  19  17.301   8.414   5.042
  135   3HZ   LYS  19          HZ3       LYS  19  18.450   7.971   3.872
  136    HA   PRO  20           HA       PRO  20  16.714  -0.242   4.533
  137   1HB   PRO  20          HB2       PRO  20  17.502   0.453   7.073
  138   2HB   PRO  20          HB1       PRO  20  18.523  -0.462   5.950
  139   1HG   PRO  20          HG2       PRO  20  18.750   2.382   6.793
  140   2HG   PRO  20          HG1       PRO  20  20.002   1.293   6.176
  141   1HD   PRO  20          HD2       PRO  20  18.659   3.326   4.712
  142   2HD   PRO  20          HD1       PRO  20  19.728   2.076   4.039
  143    H    THR  21           HN       THR  21  14.637  -0.257   5.455
  144    HA   THR  21           HA       THR  21  13.340   2.356   5.825
  145    HB   THR  21           HB       THR  21  12.229  -0.455   6.076
  146    HG1  THR  21           HG1      THR  21  12.119   1.460   3.986
  147   1HG2  THR  21          HG21      THR  21  11.130   2.210   6.593
  148   2HG2  THR  21          HG22      THR  21  10.498   0.627   7.045
  149   3HG2  THR  21          HG23      THR  21  10.174   1.280   5.439
  150    H    PHE  22           HN       PHE  22  15.391   1.467   7.804
  151    HA   PHE  22           HA       PHE  22  15.638   1.208  10.137
  152   1HB   PHE  22          HB2       PHE  22  13.217   2.985  10.342
  153   2HB   PHE  22          HB1       PHE  22  14.701   3.019  11.297
  154    HD1  PHE  22           HD1      PHE  22  13.034   4.954   9.058
  155    HD2  PHE  22           HD2      PHE  22  16.874   3.067   9.436
  156    HE1  PHE  22           HE1      PHE  22  14.006   6.621   7.499
  157    HE2  PHE  22           HE2      PHE  22  17.846   4.734   7.878
  158    HZ   PHE  22           HZ       PHE  22  16.413   6.511   6.909
  Start of MODEL    2
    1   1H    GLU   0          HT1       GLU   0  24.297  -6.016  -1.492
    2   2H    GLU   0          HT2       GLU   0  25.538  -5.225  -2.341
    3   3H    GLU   0          HT3       GLU   0  24.348  -6.096  -3.185
    4    HA   GLU   0           HA       GLU   0  24.293  -3.402  -2.210
    5   1HB   GLU   0          HB2       GLU   0  23.881  -4.426  -4.577
    6   2HB   GLU   0          HB1       GLU   0  22.256  -4.741  -3.969
    7   1HG   GLU   0          HG2       GLU   0  22.453  -2.536  -5.149
    8   2HG   GLU   0          HG1       GLU   0  21.928  -2.372  -3.471
    9    H    ASN   1           HN       ASN   1  21.211  -3.765  -2.756
   10    HA   ASN   1           HA       ASN   1  20.443  -3.556   0.001
   11   1HB   ASN   1          HB2       ASN   1  18.115  -3.593  -0.968
   12   2HB   ASN   1          HB1       ASN   1  19.174  -2.383  -1.694
   13   1HD2  ASN   1          HD21      ASN   1  17.187  -2.958  -3.374
   14   2HD2  ASN   1          HD22      ASN   1  17.636  -4.063  -4.581
   15    H    PHE   2           HN       PHE   2  19.122  -5.055   1.196
   16    HA   PHE   2           HA       PHE   2  19.138  -7.847   0.128
   17   1HB   PHE   2          HB2       PHE   2  19.338  -8.188   2.858
   18   2HB   PHE   2          HB1       PHE   2  20.687  -8.299   1.729
   19    HD1  PHE   2           HD1      PHE   2  21.855  -6.035   1.104
   20    HD2  PHE   2           HD2      PHE   2  19.411  -6.611   4.589
   21    HE1  PHE   2           HE1      PHE   2  22.914  -4.063   2.171
   22    HE2  PHE   2           HE2      PHE   2  20.471  -4.638   5.657
   23    HZ   PHE   2           HZ       PHE   2  22.222  -3.365   4.447
   24    H    ALA   3           HN       ALA   3  17.808  -9.070   2.241
   25    HA   ALA   3           HA       ALA   3  15.555  -9.505   2.801
   26   1HB   ALA   3          HB1       ALA   3  15.175  -6.635   3.491
   27   2HB   ALA   3          HB2       ALA   3  16.508  -7.466   4.292
   28   3HB   ALA   3          HB3       ALA   3  14.862  -8.075   4.459
   29    H    GLY   4           HN       GLY   4  15.217  -9.606   0.328
   30   1HA   GLY   4          HA2       GLY   4  13.651  -9.218  -1.390
   31   2HA   GLY   4          HA1       GLY   4  12.837  -8.075  -0.320
   32    H    GLY   5           HN       GLY   5  16.190  -7.521  -0.658
   33   1HA   GLY   5          HA2       GLY   5  17.401  -5.842  -1.765
   34   2HA   GLY   5          HA1       GLY   5  16.210  -5.957  -3.061
   35    H    CYS   6           HN       CYS   6  15.363  -3.962  -3.423
   36    HA   CYS   6           HA       CYS   6  15.179  -1.998  -1.249
   37   1HB   CYS   6          HB2       CYS   6  15.802  -1.153  -3.392
   38   2HB   CYS   6          HB1       CYS   6  14.423  -1.916  -4.174
   39    H    ALA   7           HN       ALA   7  13.202  -4.362  -2.705
   40    HA   ALA   7           HA       ALA   7  10.599  -3.300  -2.435
   41   1HB   ALA   7          HB1       ALA   7  11.165  -6.163  -1.709
   42   2HB   ALA   7          HB2       ALA   7  11.418  -5.610  -3.365
   43   3HB   ALA   7          HB3       ALA   7   9.818  -5.497  -2.632
   44    H    THR   8           HN       THR   8   9.434  -5.248  -0.559
   45    HA   THR   8           HA       THR   8   9.092  -3.757   1.733
   46    HB   THR   8           HB       THR   8   9.227  -6.765   1.434
   47    HG1  THR   8           HG1      THR   8   7.527  -5.844   0.366
   48   1HG2  THR   8          HG21      THR   8   7.992  -6.817   3.616
   49   2HG2  THR   8          HG22      THR   8   8.346  -5.100   3.808
   50   3HG2  THR   8          HG23      THR   8   9.663  -6.273   3.771
   51    H    GLY   9           HN       GLY   9  10.527  -2.942   3.185
   52   1HA   GLY   9          HA2       GLY   9  12.126  -3.699   5.013
   53   2HA   GLY   9          HA1       GLY   9  13.013  -4.520   3.729
   54    H    TYR  10           HN       TYR  10  12.764  -2.439   1.767
   55    HA   TYR  10           HA       TYR  10  14.536  -0.381   3.003
   56   1HB   TYR  10          HB2       TYR  10  14.665  -1.909   0.471
   57   2HB   TYR  10          HB1       TYR  10  15.037  -0.195   0.329
   58    HD1  TYR  10           HD1      TYR  10  17.127   0.642   1.007
   59    HD2  TYR  10           HD2      TYR  10  15.882  -3.254   2.306
   60    HE1  TYR  10           HE1      TYR  10  19.378   0.246   1.966
   61    HE2  TYR  10           HE2      TYR  10  18.134  -3.653   3.266
   62    HH   TYR  10           HH       TYR  10  20.189  -1.515   4.069
   63    H    LEU  11           HN       LEU  11  14.383   1.786   2.016
   64    HA   LEU  11           HA       LEU  11  11.636   2.383   1.016
   65   1HB   LEU  11          HB2       LEU  11  12.725   3.312   3.328
   66   2HB   LEU  11          HB1       LEU  11  13.271   4.560   2.207
   67    HG   LEU  11           HG       LEU  11  10.781   4.500   1.370
   68   1HD1  LEU  11          HD11      LEU  11   9.190   3.921   3.141
   69   2HD1  LEU  11          HD12      LEU  11  10.517   3.465   4.210
   70   3HD1  LEU  11          HD13      LEU  11  10.190   2.520   2.757
   71   1HD2  LEU  11          HD21      LEU  11  11.740   5.726   3.969
   72   2HD2  LEU  11          HD22      LEU  11  10.200   6.148   3.221
   73   3HD2  LEU  11          HD23      LEU  11  11.712   6.478   2.374
   74    H    ARG  12           HN       ARG  12  11.714   4.553  -0.323
   75    HA   ARG  12           HA       ARG  12  13.765   4.129  -2.373
   76   1HB   ARG  12          HB2       ARG  12  11.389   4.638  -2.955
   77   2HB   ARG  12          HB1       ARG  12  11.597   6.243  -2.254
   78   1HG   ARG  12          HG2       ARG  12  11.941   6.402  -4.655
   79   2HG   ARG  12          HG1       ARG  12  13.492   6.635  -3.848
   80   1HD   ARG  12          HD2       ARG  12  13.211   4.913  -5.912
   81   2HD   ARG  12          HD1       ARG  12  14.350   4.615  -4.600
   82    HE   ARG  12           HE       ARG  12  12.455   3.226  -3.562
   83   1HH1  ARG  12          HH11      ARG  12  13.814   1.747  -5.753
   84   2HH1  ARG  12          HH12      ARG  12  12.490   1.257  -6.756
   85   1HH2  ARG  12          HH21      ARG  12  10.254   3.513  -5.362
   86   2HH2  ARG  12          HH22      ARG  12  10.474   2.258  -6.535
   87    H    THR  13           HN       THR  13  15.263   5.705  -3.075
   88    HA   THR  13           HA       THR  13  15.697   8.029  -1.274
   89    HB   THR  13           HB       THR  13  18.088   7.539  -1.127
   90    HG1  THR  13           HG1      THR  13  18.416   5.153  -1.896
   91   1HG2  THR  13          HG21      THR  13  17.046   6.582   0.716
   92   2HG2  THR  13          HG22      THR  13  17.830   5.170   0.007
   93   3HG2  THR  13          HG23      THR  13  16.112   5.455  -0.269
   94    H    ALA  14           HN       ALA  14  16.271   9.842  -2.392
   95    HA   ALA  14           HA       ALA  14  16.038   9.899  -5.227
   96   1HB   ALA  14          HB1       ALA  14  17.350  12.033  -3.548
   97   2HB   ALA  14          HB2       ALA  14  15.601  11.812  -3.623
   98   3HB   ALA  14          HB3       ALA  14  16.500  12.238  -5.080
   99    H    ASP  15           HN       ASP  15  18.561   8.622  -3.635
  100    HA   ASP  15           HA       ASP  15  20.633   9.728  -5.427
  101   1HB   ASP  15          HB2       ASP  15  22.206   8.338  -4.145
  102   2HB   ASP  15          HB1       ASP  15  21.226   9.311  -3.048
  103    H    GLY  16           HN       GLY  16  18.219   7.883  -6.056
  104   1HA   GLY  16          HA2       GLY  16  17.820   6.326  -7.735
  105   2HA   GLY  16          HA1       GLY  16  19.539   6.369  -8.078
  106    H    ARG  17           HN       ARG  17  18.059   5.615  -4.964
  107    HA   ARG  17           HA       ARG  17  18.490   2.732  -5.288
  108   1HB   ARG  17          HB2       ARG  17  20.617   4.389  -4.299
  109   2HB   ARG  17          HB1       ARG  17  20.032   3.376  -2.980
  110   1HG   ARG  17          HG2       ARG  17  20.378   2.052  -5.624
  111   2HG   ARG  17          HG1       ARG  17  21.852   2.510  -4.768
  112   1HD   ARG  17          HD2       ARG  17  21.583   0.524  -3.655
  113   2HD   ARG  17          HD1       ARG  17  20.355   1.389  -2.733
  114    HE   ARG  17           HE       ARG  17  18.814  -0.082  -3.719
  115   1HH1  ARG  17          HH11      ARG  17  18.856   1.202  -6.371
  116   2HH1  ARG  17          HH12      ARG  17  19.386  -0.075  -7.415
  117   1HH2  ARG  17          HH21      ARG  17  20.619  -2.032  -4.830
  118   2HH2  ARG  17          HH22      ARG  17  20.387  -1.908  -6.542
  119    H    CYS  18           HN       CYS  18  18.701   2.214  -2.460
  120    HA   CYS  18           HA       CYS  18  16.263   3.537  -1.392
  121   1HB   CYS  18          HB2       CYS  18  16.726   0.550  -1.602
  122   2HB   CYS  18          HB1       CYS  18  15.418   1.291  -0.682
  123    H    LYS  19           HN       LYS  19  16.133   3.498   0.919
  124    HA   LYS  19           HA       LYS  19  18.778   2.985   2.212
  125   1HB   LYS  19          HB2       LYS  19  16.677   5.010   2.537
  126   2HB   LYS  19          HB1       LYS  19  17.229   4.329   4.067
  127   1HG   LYS  19          HG2       LYS  19  19.568   4.809   3.438
  128   2HG   LYS  19          HG1       LYS  19  19.013   5.504   1.915
  129   1HD   LYS  19          HD2       LYS  19  19.467   7.202   3.734
  130   2HD   LYS  19          HD1       LYS  19  17.837   7.268   3.063
  131   1HE   LYS  19          HE2       LYS  19  16.955   6.006   4.943
  132   2HE   LYS  19          HE1       LYS  19  18.579   5.758   5.584
  133   1HZ   LYS  19          HZ1       LYS  19  18.486   7.711   6.591
  134   2HZ   LYS  19          HZ2       LYS  19  16.872   7.882   6.088
  135   3HZ   LYS  19          HZ3       LYS  19  18.133   8.508   5.136
  136    HA   PRO  20           HA       PRO  20  17.079  -0.195   4.718
  137   1HB   PRO  20          HB2       PRO  20  18.442   0.198   7.069
  138   2HB   PRO  20          HB1       PRO  20  19.186  -0.473   5.609
  139   1HG   PRO  20          HG2       PRO  20  19.501   2.242   6.793
  140   2HG   PRO  20          HG1       PRO  20  20.611   1.340   5.750
  141   1HD   PRO  20          HD2       PRO  20  18.888   3.451   4.940
  142   2HD   PRO  20          HD1       PRO  20  19.795   2.362   3.867
  143    H    THR  21           HN       THR  21  15.181  -0.402   5.898
  144    HA   THR  21           HA       THR  21  14.082   2.012   7.185
  145    HB   THR  21           HB       THR  21  12.906  -0.768   6.871
  146    HG1  THR  21           HG1      THR  21  12.913   1.563   5.328
  147   1HG2  THR  21          HG21      THR  21  11.206  -0.069   8.163
  148   2HG2  THR  21          HG22      THR  21  11.001   1.373   7.167
  149   3HG2  THR  21          HG23      THR  21  12.127   1.391   8.525
  150    H    PHE  22           HN       PHE  22  16.204   1.502   8.671
  151    HA   PHE  22           HA       PHE  22  16.009  -0.484  10.700
  152   1HB   PHE  22          HB2       PHE  22  17.362   1.326  12.054
  153   2HB   PHE  22          HB1       PHE  22  18.099   0.547  10.655
  154    HD1  PHE  22           HD1      PHE  22  15.381   3.079  10.424
  155    HD2  PHE  22           HD2      PHE  22  19.599   2.357  10.041
  156    HE1  PHE  22           HE1      PHE  22  15.660   5.289   9.339
  157    HE2  PHE  22           HE2      PHE  22  19.877   4.568   8.954
  158    HZ   PHE  22           HZ       PHE  22  17.908   6.034   8.603
  Start of MODEL    3
    1   1H    GLU   0          HT1       GLU   0  24.354  -4.343  -2.210
    2   2H    GLU   0          HT2       GLU   0  25.462  -3.273  -2.924
    3   3H    GLU   0          HT3       GLU   0  24.726  -4.487  -3.858
    4    HA   GLU   0           HA       GLU   0  23.861  -1.883  -3.505
    5   1HB   GLU   0          HB2       GLU   0  22.092  -2.587  -5.023
    6   2HB   GLU   0          HB1       GLU   0  23.593  -3.383  -5.493
    7   1HG   GLU   0          HG2       GLU   0  22.831  -5.343  -4.030
    8   2HG   GLU   0          HG1       GLU   0  21.249  -4.566  -3.998
    9    H    ASN   1           HN       ASN   1  20.932  -2.674  -3.559
   10    HA   ASN   1           HA       ASN   1  20.078  -1.851  -1.077
   11   1HB   ASN   1          HB2       ASN   1  18.689  -4.155  -2.448
   12   2HB   ASN   1          HB1       ASN   1  17.967  -2.827  -1.539
   13   1HD2  ASN   1          HD21      ASN   1  17.574  -3.686  -4.449
   14   2HD2  ASN   1          HD22      ASN   1  17.887  -2.281  -5.349
   15    H    PHE   2           HN       PHE   2  20.788  -2.554   0.879
   16    HA   PHE   2           HA       PHE   2  21.517  -5.387   1.264
   17   1HB   PHE   2          HB2       PHE   2  21.949  -2.832   2.709
   18   2HB   PHE   2          HB1       PHE   2  21.797  -4.269   3.721
   19    HD1  PHE   2           HD1      PHE   2  23.541  -5.880   3.849
   20    HD2  PHE   2           HD2      PHE   2  23.655  -2.823   0.833
   21    HE1  PHE   2           HE1      PHE   2  25.863  -6.535   3.272
   22    HE2  PHE   2           HE2      PHE   2  25.976  -3.478   0.257
   23    HZ   PHE   2           HZ       PHE   2  27.080  -5.333   1.477
   24    H    ALA   3           HN       ALA   3  20.773  -6.012   3.767
   25    HA   ALA   3           HA       ALA   3  18.961  -6.733   5.073
   26   1HB   ALA   3          HB1       ALA   3  18.512  -4.042   4.598
   27   2HB   ALA   3          HB2       ALA   3  17.583  -5.053   5.706
   28   3HB   ALA   3          HB3       ALA   3  17.011  -4.795   4.057
   29    H    GLY   4           HN       GLY   4  19.361  -7.919   2.513
   30   1HA   GLY   4          HA2       GLY   4  18.073  -9.650   1.457
   31   2HA   GLY   4          HA1       GLY   4  16.599  -8.855   2.010
   32    H    GLY   5           HN       GLY   5  17.594  -6.200   1.053
   33   1HA   GLY   5          HA2       GLY   5  18.329  -5.665  -1.418
   34   2HA   GLY   5          HA1       GLY   5  16.892  -6.608  -1.811
   35    H    CYS   6           HN       CYS   6  16.498  -4.318  -2.825
   36    HA   CYS   6           HA       CYS   6  15.558  -2.289  -0.923
   37   1HB   CYS   6          HB2       CYS   6  16.548  -1.429  -2.881
   38   2HB   CYS   6          HB1       CYS   6  15.622  -2.489  -3.933
   39    H    ALA   7           HN       ALA   7  14.297  -4.983  -2.577
   40    HA   ALA   7           HA       ALA   7  11.596  -4.297  -3.013
   41   1HB   ALA   7          HB1       ALA   7  12.993  -6.566  -3.349
   42   2HB   ALA   7          HB2       ALA   7  11.231  -6.550  -3.297
   43   3HB   ALA   7          HB3       ALA   7  12.151  -6.988  -1.858
   44    H    THR   8           HN       THR   8  10.136  -6.110  -1.324
   45    HA   THR   8           HA       THR   8   9.169  -4.540   0.705
   46    HB   THR   8           HB       THR   8   8.405  -6.888   0.044
   47    HG1  THR   8           HG1      THR   8   8.321  -5.619   2.436
   48   1HG2  THR   8          HG21      THR   8  10.782  -7.789   0.593
   49   2HG2  THR   8          HG22      THR   8   9.388  -8.772   1.041
   50   3HG2  THR   8          HG23      THR   8  10.217  -7.808   2.264
   51    H    GLY   9           HN       GLY   9  10.118  -3.531   2.402
   52   1HA   GLY   9          HA2       GLY   9  11.287  -4.030   4.607
   53   2HA   GLY   9          HA1       GLY   9  12.529  -4.814   3.629
   54    H    TYR  10           HN       TYR  10  12.699  -2.930   1.526
   55    HA   TYR  10           HA       TYR  10  13.842  -0.598   2.997
   56   1HB   TYR  10          HB2       TYR  10  14.753  -2.197   0.673
   57   2HB   TYR  10          HB1       TYR  10  15.036  -0.465   0.578
   58    HD1  TYR  10           HD1      TYR  10  17.368  -0.267   0.960
   59    HD2  TYR  10           HD2      TYR  10  14.955  -2.631   3.611
   60    HE1  TYR  10           HE1      TYR  10  19.291  -0.492   2.507
   61    HE2  TYR  10           HE2      TYR  10  16.879  -2.856   5.159
   62    HH   TYR  10           HH       TYR  10  19.018  -2.406   5.505
   63    H    LEU  11           HN       LEU  11  13.572   1.476   2.064
   64    HA   LEU  11           HA       LEU  11  11.249   1.684   0.209
   65   1HB   LEU  11          HB2       LEU  11  11.548   2.824   2.684
   66   2HB   LEU  11          HB1       LEU  11  12.146   4.111   1.635
   67    HG   LEU  11           HG       LEU  11   9.995   3.560   0.222
   68   1HD1  LEU  11          HD11      LEU  11   8.120   2.921   1.814
   69   2HD1  LEU  11          HD12      LEU  11   9.367   2.447   2.967
   70   3HD1  LEU  11          HD13      LEU  11   9.238   1.617   1.416
   71   1HD2  LEU  11          HD21      LEU  11   9.079   5.465   1.136
   72   2HD2  LEU  11          HD22      LEU  11  10.674   5.564   1.881
   73   3HD2  LEU  11          HD23      LEU  11   9.315   4.908   2.793
   74    H    ARG  12           HN       ARG  12  11.673   2.501  -1.793
   75    HA   ARG  12           HA       ARG  12  14.199   2.849  -2.853
   76   1HB   ARG  12          HB2       ARG  12  12.044   2.840  -4.150
   77   2HB   ARG  12          HB1       ARG  12  11.800   4.518  -3.662
   78   1HG   ARG  12          HG2       ARG  12  13.388   5.301  -5.095
   79   2HG   ARG  12          HG1       ARG  12  14.458   3.926  -4.814
   80   1HD   ARG  12          HD2       ARG  12  13.785   3.546  -7.041
   81   2HD   ARG  12          HD1       ARG  12  12.620   2.572  -6.146
   82    HE   ARG  12           HE       ARG  12  10.940   4.017  -6.933
   83   1HH1  ARG  12          HH21      ARG  12  14.072   5.434  -7.211
   84   2HH1  ARG  12          HH22      ARG  12  13.484   6.921  -7.875
   85   1HH2  ARG  12          HH11      ARG  12  10.148   5.995  -7.698
   86   2HH2  ARG  12          HH12      ARG  12  11.264   7.242  -8.145
   87    H    THR  13           HN       THR  13  15.548   4.643  -3.277
   88    HA   THR  13           HA       THR  13  15.070   7.030  -1.547
   89    HB   THR  13           HB       THR  13  17.650   7.088  -1.412
   90    HG1  THR  13           HG1      THR  13  17.453   5.161  -3.059
   91   1HG2  THR  13          HG21      THR  13  15.919   5.017  -0.062
   92   2HG2  THR  13          HG22      THR  13  16.477   6.563   0.577
   93   3HG2  THR  13          HG23      THR  13  17.614   5.229   0.377
   94    H    ALA  14           HN       ALA  14  15.526   9.009  -2.521
   95    HA   ALA  14           HA       ALA  14  15.465   9.151  -5.361
   96   1HB   ALA  14          HB1       ALA  14  15.406  11.471  -5.117
   97   2HB   ALA  14          HB2       ALA  14  16.464  11.440  -3.707
   98   3HB   ALA  14          HB3       ALA  14  14.786  10.920  -3.560
   99    H    ASP  15           HN       ASP  15  18.029   8.285  -3.532
  100    HA   ASP  15           HA       ASP  15  20.047   9.589  -5.257
  101   1HB   ASP  15          HB2       ASP  15  21.693   8.764  -3.726
  102   2HB   ASP  15          HB1       ASP  15  20.354   9.316  -2.721
  103    H    GLY  16           HN       GLY  16  18.006   7.464  -6.005
  104   1HA   GLY  16          HA2       GLY  16  17.915   5.640  -7.430
  105   2HA   GLY  16          HA1       GLY  16  19.596   5.993  -7.802
  106    H    ARG  17           HN       ARG  17  17.919   4.973  -4.834
  107    HA   ARG  17           HA       ARG  17  19.299   2.382  -4.831
  108   1HB   ARG  17          HB2       ARG  17  20.685   4.546  -3.760
  109   2HB   ARG  17          HB1       ARG  17  19.954   3.791  -2.347
  110   1HG   ARG  17          HG2       ARG  17  21.114   1.801  -2.640
  111   2HG   ARG  17          HG1       ARG  17  21.269   2.031  -4.383
  112   1HD   ARG  17          HD2       ARG  17  23.367   2.831  -4.031
  113   2HD   ARG  17          HD1       ARG  17  22.645   4.213  -3.206
  114    HE   ARG  17           HE       ARG  17  22.693   2.394  -1.198
  115   1HH1  ARG  17          HH11      ARG  17  24.855   1.246  -3.214
  116   2HH1  ARG  17          HH12      ARG  17  26.290   1.763  -2.393
  117   1HH2  ARG  17          HH21      ARG  17  24.614   3.941  -0.279
  118   2HH2  ARG  17          HH22      ARG  17  26.153   3.288  -0.729
  119    H    CYS  18           HN       CYS  18  19.061   2.298  -1.832
  120    HA   CYS  18           HA       CYS  18  16.210   2.742  -1.323
  121   1HB   CYS  18          HB2       CYS  18  16.931   0.340  -2.515
  122   2HB   CYS  18          HB1       CYS  18  16.835  -0.062  -0.801
  123    H    LYS  19           HN       LYS  19  16.018   3.240   0.794
  124    HA   LYS  19           HA       LYS  19  18.286   2.622   2.601
  125   1HB   LYS  19          HB2       LYS  19  17.370   4.358   4.004
  126   2HB   LYS  19          HB1       LYS  19  17.374   4.962   2.354
  127   1HG   LYS  19          HG2       LYS  19  15.195   5.459   2.769
  128   2HG   LYS  19          HG1       LYS  19  14.928   3.740   2.472
  129   1HD   LYS  19          HD2       LYS  19  13.895   4.469   4.606
  130   2HD   LYS  19          HD1       LYS  19  15.162   3.273   4.874
  131   1HE   LYS  19          HE2       LYS  19  16.635   4.828   5.770
  132   2HE   LYS  19          HE1       LYS  19  15.898   6.176   4.906
  133   1HZ   LYS  19          HZ1       LYS  19  14.036   6.130   6.355
  134   2HZ   LYS  19          HZ2       LYS  19  15.427   6.123   7.330
  135   3HZ   LYS  19          HZ3       LYS  19  14.548   4.690   7.089
  136    HA   PRO  20           HA       PRO  20  15.934  -0.318   4.877
  137   1HB   PRO  20          HB2       PRO  20  16.909   0.091   7.410
  138   2HB   PRO  20          HB1       PRO  20  17.818  -0.723   6.128
  139   1HG   PRO  20          HG2       PRO  20  18.184   2.020   7.232
  140   2HG   PRO  20          HG1       PRO  20  19.366   0.969   6.434
  141   1HD   PRO  20          HD2       PRO  20  18.010   3.166   5.254
  142   2HD   PRO  20          HD1       PRO  20  18.969   1.942   4.395
  143    H    THR  21           HN       THR  21  13.834  -0.252   5.563
  144    HA   THR  21           HA       THR  21  12.781   2.256   6.716
  145    HB   THR  21           HB       THR  21  11.317  -0.305   6.009
  146    HG1  THR  21           HG1      THR  21  11.986   0.421   4.106
  147   1HG2  THR  21          HG21      THR  21   9.900   2.256   5.906
  148   2HG2  THR  21          HG22      THR  21  10.482   1.858   7.523
  149   3HG2  THR  21          HG23      THR  21   9.422   0.738   6.667
  150    H    PHE  22           HN       PHE  22  14.566   0.837   8.425
  151    HA   PHE  22           HA       PHE  22  14.686  -0.108  10.579
  152   1HB   PHE  22          HB2       PHE  22  11.992   1.216  10.967
  153   2HB   PHE  22          HB1       PHE  22  13.247   0.937  12.176
  154    HD1  PHE  22           HD1      PHE  22  12.043   3.662  11.663
  155    HD2  PHE  22           HD2      PHE  22  15.441   1.714   9.900
  156    HE1  PHE  22           HE1      PHE  22  13.041   5.872  11.146
  157    HE2  PHE  22           HE2      PHE  22  16.439   3.924   9.382
  158    HZ   PHE  22           HZ       PHE  22  15.239   6.003  10.005
  Start of MODEL    4
    1   1H    GLU   0          HT1       GLU   0  24.701  -4.516  -0.663
    2   2H    GLU   0          HT2       GLU   0  23.551  -5.725  -0.345
    3   3H    GLU   0          HT3       GLU   0  24.317  -4.919   0.939
    4    HA   GLU   0           HA       GLU   0  23.059  -3.051   0.738
    5   1HB   GLU   0          HB2       GLU   0  22.146  -2.249  -1.343
    6   2HB   GLU   0          HB1       GLU   0  23.797  -2.778  -1.670
    7   1HG   GLU   0          HG2       GLU   0  22.648  -5.082  -2.208
    8   2HG   GLU   0          HG1       GLU   0  21.206  -4.091  -2.426
    9    H    ASN   1           HN       ASN   1  20.531  -3.192  -0.903
   10    HA   ASN   1           HA       ASN   1  18.827  -4.413   0.966
   11   1HB   ASN   1          HB2       ASN   1  18.099  -4.484  -1.951
   12   2HB   ASN   1          HB1       ASN   1  17.088  -4.094  -0.561
   13   1HD2  ASN   1          HD21      ASN   1  19.204  -2.754  -2.977
   14   2HD2  ASN   1          HD22      ASN   1  19.138  -1.146  -2.438
   15    H    PHE   2           HN       PHE   2  19.137  -6.492   1.633
   16    HA   PHE   2           HA       PHE   2  20.329  -8.621   0.345
   17   1HB   PHE   2          HB2       PHE   2  18.671  -8.301   2.617
   18   2HB   PHE   2          HB1       PHE   2  17.982  -9.627   1.679
   19    HD1  PHE   2           HD1      PHE   2  18.997 -11.759   1.677
   20    HD2  PHE   2           HD2      PHE   2  21.193  -8.351   3.095
   21    HE1  PHE   2           HE1      PHE   2  20.817 -13.255   2.455
   22    HE2  PHE   2           HE2      PHE   2  23.012  -9.846   3.873
   23    HZ   PHE   2           HZ       PHE   2  22.824 -12.298   3.552
   24    H    ALA   3           HN       ALA   3  19.914  -9.759  -1.463
   25    HA   ALA   3           HA       ALA   3  18.813 -10.189  -3.530
   26   1HB   ALA   3          HB1       ALA   3  16.963 -11.295  -1.400
   27   2HB   ALA   3          HB2       ALA   3  18.321 -12.130  -2.154
   28   3HB   ALA   3          HB3       ALA   3  16.892 -11.733  -3.107
   29    H    GLY   4           HN       GLY   4  18.359  -7.633  -3.459
   30   1HA   GLY   4          HA2       GLY   4  16.853  -5.950  -4.093
   31   2HA   GLY   4          HA1       GLY   4  15.775  -7.251  -4.601
   32    H    GLY   5           HN       GLY   5  17.027  -6.327  -1.379
   33   1HA   GLY   5          HA2       GLY   5  14.326  -6.665  -0.265
   34   2HA   GLY   5          HA1       GLY   5  15.788  -6.310   0.655
   35    H    CYS   6           HN       CYS   6  14.974  -4.398  -2.162
   36    HA   CYS   6           HA       CYS   6  14.886  -1.981  -0.527
   37   1HB   CYS   6          HB2       CYS   6  15.943  -1.745  -2.627
   38   2HB   CYS   6          HB1       CYS   6  14.634  -2.550  -3.481
   39    H    ALA   7           HN       ALA   7  12.668  -4.221  -1.871
   40    HA   ALA   7           HA       ALA   7  10.327  -2.657  -2.171
   41   1HB   ALA   7          HB1       ALA   7  10.080  -5.389  -0.988
   42   2HB   ALA   7          HB2       ALA   7  10.843  -5.248  -2.572
   43   3HB   ALA   7          HB3       ALA   7   9.196  -4.664  -2.331
   44    H    THR   8           HN       THR   8   8.623  -4.158  -0.228
   45    HA   THR   8           HA       THR   8   8.277  -2.262   1.770
   46    HB   THR   8           HB       THR   8   7.861  -5.258   1.930
   47    HG1  THR   8           HG1      THR   8   6.725  -4.006   0.319
   48   1HG2  THR   8          HG21      THR   8   7.414  -3.081   3.876
   49   2HG2  THR   8          HG22      THR   8   7.569  -4.818   4.145
   50   3HG2  THR   8          HG23      THR   8   6.029  -4.141   3.616
   51    H    GLY   9           HN       GLY   9   9.619  -1.550   3.351
   52   1HA   GLY   9          HA2       GLY   9  10.801  -2.341   5.462
   53   2HA   GLY   9          HA1       GLY   9  11.670  -3.457   4.408
   54    H    TYR  10           HN       TYR  10  12.165  -1.725   2.231
   55    HA   TYR  10           HA       TYR  10  14.119   0.135   3.497
   56   1HB   TYR  10          HB2       TYR  10  14.125  -1.535   1.021
   57   2HB   TYR  10          HB1       TYR  10  14.984  -0.001   0.962
   58    HD1  TYR  10           HD1      TYR  10  17.266  -0.256   1.350
   59    HD2  TYR  10           HD2      TYR  10  14.490  -2.650   3.578
   60    HE1  TYR  10           HE1      TYR  10  19.149  -1.254   2.605
   61    HE2  TYR  10           HE2      TYR  10  16.376  -3.654   4.838
   62    HH   TYR  10           HH       TYR  10  19.284  -2.405   5.095
   63    H    LEU  11           HN       LEU  11  14.625   1.851   1.392
   64    HA   LEU  11           HA       LEU  11  12.074   2.911   0.375
   65   1HB   LEU  11          HB2       LEU  11  12.841   3.795   2.841
   66   2HB   LEU  11          HB1       LEU  11  13.685   4.948   1.807
   67    HG   LEU  11           HG       LEU  11  11.449   5.794   2.355
   68   1HD1  LEU  11          HD11      LEU  11  11.686   4.823  -0.510
   69   2HD1  LEU  11          HD12      LEU  11  12.361   6.319   0.136
   70   3HD1  LEU  11          HD13      LEU  11  10.612   6.110   0.041
   71   1HD2  LEU  11          HD21      LEU  11   9.553   4.525   2.259
   72   2HD2  LEU  11          HD22      LEU  11  10.682   3.172   2.336
   73   3HD2  LEU  11          HD23      LEU  11  10.057   3.711   0.778
   74    H    ARG  12           HN       ARG  12  12.761   2.984  -1.727
   75    HA   ARG  12           HA       ARG  12  15.184   3.137  -2.897
   76   1HB   ARG  12          HB2       ARG  12  14.211   4.416  -4.755
   77   2HB   ARG  12          HB1       ARG  12  13.055   3.224  -4.159
   78   1HG   ARG  12          HG2       ARG  12  11.592   4.931  -3.952
   79   2HG   ARG  12          HG1       ARG  12  12.565   5.465  -2.581
   80   1HD   ARG  12          HD2       ARG  12  12.542   7.393  -3.947
   81   2HD   ARG  12          HD1       ARG  12  14.059   6.625  -4.414
   82    HE   ARG  12           HE       ARG  12  12.094   5.594  -6.145
   83   1HH1  ARG  12          HH11      ARG  12  14.151   8.255  -5.635
   84   2HH1  ARG  12          HH12      ARG  12  13.622   9.129  -7.034
   85   1HH2  ARG  12          HH21      ARG  12  11.104   6.875  -7.815
   86   2HH2  ARG  12          HH22      ARG  12  11.896   8.347  -8.269
   87    H    THR  13           HN       THR  13  16.928   4.257  -2.210
   88    HA   THR  13           HA       THR  13  16.620   7.042  -1.277
   89    HB   THR  13           HB       THR  13  18.227   6.249   0.123
   90    HG1  THR  13           HG1      THR  13  20.256   6.711  -0.620
   91   1HG2  THR  13          HG21      THR  13  19.782   4.340  -0.559
   92   2HG2  THR  13          HG22      THR  13  18.812   4.206  -2.026
   93   3HG2  THR  13          HG23      THR  13  18.068   3.941  -0.450
   94    H    ALA  14           HN       ALA  14  17.823   8.791  -2.228
   95    HA   ALA  14           HA       ALA  14  17.723   8.856  -5.067
   96   1HB   ALA  14          HB1       ALA  14  17.531  10.857  -3.595
   97   2HB   ALA  14          HB2       ALA  14  18.706  11.072  -4.892
   98   3HB   ALA  14          HB3       ALA  14  19.255  10.725  -3.252
   99    H    ASP  15           HN       ASP  15  19.922   7.216  -3.329
  100    HA   ASP  15           HA       ASP  15  22.231   7.850  -5.055
  101   1HB   ASP  15          HB2       ASP  15  23.387   6.111  -3.643
  102   2HB   ASP  15          HB1       ASP  15  22.757   7.469  -2.710
  103    H    GLY  16           HN       GLY  16  19.562   6.481  -5.772
  104   1HA   GLY  16          HA2       GLY  16  18.905   4.886  -7.322
  105   2HA   GLY  16          HA1       GLY  16  20.613   4.667  -7.674
  106    H    ARG  17           HN       ARG  17  19.143   4.307  -4.498
  107    HA   ARG  17           HA       ARG  17  19.378   1.346  -4.690
  108   1HB   ARG  17          HB2       ARG  17  20.672   2.892  -2.431
  109   2HB   ARG  17          HB1       ARG  17  20.811   1.168  -2.775
  110   1HG   ARG  17          HG2       ARG  17  21.707   2.104  -5.118
  111   2HG   ARG  17          HG1       ARG  17  22.146   3.480  -4.107
  112   1HD   ARG  17          HD2       ARG  17  23.852   2.333  -3.122
  113   2HD   ARG  17          HD1       ARG  17  22.834   0.920  -2.841
  114    HE   ARG  17           HE       ARG  17  23.864  -0.042  -4.720
  115   1HH1  ARG  17          HH21      ARG  17  25.969   2.170  -4.616
  116   2HH1  ARG  17          HH22      ARG  17  25.914   2.756  -6.245
  117   1HH2  ARG  17          HH11      ARG  17  22.880   1.242  -6.969
  118   2HH2  ARG  17          HH12      ARG  17  24.165   2.232  -7.576
  119    H    CYS  18           HN       CYS  18  19.230   1.411  -1.635
  120    HA   CYS  18           HA       CYS  18  16.574   2.594  -1.172
  121   1HB   CYS  18          HB2       CYS  18  16.770  -0.050  -2.070
  122   2HB   CYS  18          HB1       CYS  18  16.550  -0.193  -0.329
  123    H    LYS  19           HN       LYS  19  16.295   3.060   1.014
  124    HA   LYS  19           HA       LYS  19  18.485   2.183   2.834
  125   1HB   LYS  19          HB2       LYS  19  17.988   4.245   4.086
  126   2HB   LYS  19          HB1       LYS  19  18.404   4.612   2.418
  127   1HG   LYS  19          HG2       LYS  19  16.063   4.871   1.839
  128   2HG   LYS  19          HG1       LYS  19  15.565   4.322   3.440
  129   1HD   LYS  19          HD2       LYS  19  17.335   6.742   3.059
  130   2HD   LYS  19          HD1       LYS  19  15.575   6.861   3.055
  131   1HE   LYS  19          HE2       LYS  19  15.714   5.536   5.294
  132   2HE   LYS  19          HE1       LYS  19  17.402   6.043   5.305
  133   1HZ   LYS  19          HZ1       LYS  19  16.854   8.180   5.674
  134   2HZ   LYS  19          HZ2       LYS  19  15.427   7.508   6.306
  135   3HZ   LYS  19          HZ3       LYS  19  15.454   8.115   4.720
  136    HA   PRO  20           HA       PRO  20  15.449   0.237   5.350
  137   1HB   PRO  20          HB2       PRO  20  16.668   0.473   7.806
  138   2HB   PRO  20          HB1       PRO  20  17.183  -0.678   6.560
  139   1HG   PRO  20          HG2       PRO  20  18.468   1.882   7.398
  140   2HG   PRO  20          HG1       PRO  20  19.205   0.436   6.689
  141   1HD   PRO  20          HD2       PRO  20  18.615   2.823   5.303
  142   2HD   PRO  20          HD1       PRO  20  18.996   1.257   4.556
  143    H    THR  21           HN       THR  21  13.627   0.829   6.575
  144    HA   THR  21           HA       THR  21  13.284   3.709   7.060
  145    HB   THR  21           HB       THR  21  11.168   1.861   7.969
  146    HG1  THR  21           HG1      THR  21  12.164   1.890   5.327
  147   1HG2  THR  21          HG21      THR  21  11.385   4.287   6.181
  148   2HG2  THR  21          HG22      THR  21  10.647   4.179   7.779
  149   3HG2  THR  21          HG23      THR  21   9.872   3.405   6.396
  150    H    PHE  22           HN       PHE  22  15.247   2.873   8.760
  151    HA   PHE  22           HA       PHE  22  15.842   2.866  11.027
  152   1HB   PHE  22          HB2       PHE  22  13.005   3.760  11.573
  153   2HB   PHE  22          HB1       PHE  22  14.451   4.101  12.522
  154    HD1  PHE  22           HD1      PHE  22  16.434   4.941  10.561
  155    HD2  PHE  22           HD2      PHE  22  12.226   5.802  10.680
  156    HE1  PHE  22           HE1      PHE  22  16.818   7.005   9.241
  157    HE2  PHE  22           HE2      PHE  22  12.611   7.866   9.361
  158    HZ   PHE  22           HZ       PHE  22  14.907   8.468   8.642
  Start of MODEL    5
    1   1H    GLU   0          HT1       GLU   0  23.359  -7.161  -4.411
    2   2H    GLU   0          HT2       GLU   0  23.500  -6.519  -2.844
    3   3H    GLU   0          HT3       GLU   0  24.072  -5.639  -4.180
    4    HA   GLU   0           HA       GLU   0  22.098  -4.737  -4.570
    5   1HB   GLU   0          HB2       GLU   0  21.260  -6.603  -5.764
    6   2HB   GLU   0          HB1       GLU   0  21.184  -7.604  -4.316
    7   1HG   GLU   0          HG2       GLU   0  19.173  -6.733  -3.655
    8   2HG   GLU   0          HG1       GLU   0  19.555  -5.120  -4.257
    9    H    ASN   1           HN       ASN   1  20.398  -3.779  -3.322
   10    HA   ASN   1           HA       ASN   1  20.756  -3.253  -0.674
   11   1HB   ASN   1          HB2       ASN   1  18.206  -3.028  -0.518
   12   2HB   ASN   1          HB1       ASN   1  18.997  -2.113  -1.802
   13   1HD2  ASN   1          HD21      ASN   1  17.855  -2.286  -3.729
   14   2HD2  ASN   1          HD22      ASN   1  17.030  -3.672  -4.257
   15    H    PHE   2           HN       PHE   2  20.755  -4.406   1.196
   16    HA   PHE   2           HA       PHE   2  19.640  -7.168   1.117
   17   1HB   PHE   2          HB2       PHE   2  22.075  -6.153   2.060
   18   2HB   PHE   2          HB1       PHE   2  21.138  -6.486   3.516
   19    HD1  PHE   2           HD1      PHE   2  21.583  -8.582   4.414
   20    HD2  PHE   2           HD2      PHE   2  21.490  -8.112   0.146
   21    HE1  PHE   2           HE1      PHE   2  22.016 -11.008   4.139
   22    HE2  PHE   2           HE2      PHE   2  21.922 -10.539  -0.131
   23    HZ   PHE   2           HZ       PHE   2  22.185 -11.987   1.866
   24    H    ALA   3           HN       ALA   3  19.457  -7.432   3.976
   25    HA   ALA   3           HA       ALA   3  17.879  -7.109   5.684
   26   1HB   ALA   3          HB1       ALA   3  18.628  -4.457   4.732
   27   2HB   ALA   3          HB2       ALA   3  18.299  -4.999   6.378
   28   3HB   ALA   3          HB3       ALA   3  16.972  -4.487   5.335
   29    H    GLY   4           HN       GLY   4  16.873  -8.343   3.443
   30   1HA   GLY   4          HA2       GLY   4  14.610  -8.953   2.901
   31   2HA   GLY   4          HA1       GLY   4  14.075  -7.370   3.467
   32    H    GLY   5           HN       GLY   5  16.363  -6.131   1.881
   33   1HA   GLY   5          HA2       GLY   5  16.854  -5.939  -0.536
   34   2HA   GLY   5          HA1       GLY   5  15.207  -6.487  -0.852
   35    H    CYS   6           HN       CYS   6  15.404  -4.362  -2.179
   36    HA   CYS   6           HA       CYS   6  15.191  -1.885  -0.646
   37   1HB   CYS   6          HB2       CYS   6  16.186  -1.693  -2.781
   38   2HB   CYS   6          HB1       CYS   6  14.883  -2.574  -3.568
   39    H    ALA   7           HN       ALA   7  13.080  -4.324  -1.787
   40    HA   ALA   7           HA       ALA   7  10.640  -2.942  -2.127
   41   1HB   ALA   7          HB1       ALA   7  10.997  -5.387  -2.553
   42   2HB   ALA   7          HB2       ALA   7   9.534  -5.048  -1.627
   43   3HB   ALA   7          HB3       ALA   7  10.975  -5.652  -0.809
   44    H    THR   8           HN       THR   8   8.889  -3.991  -0.138
   45    HA   THR   8           HA       THR   8   8.793  -1.974   1.765
   46    HB   THR   8           HB       THR   8   7.957  -4.870   2.070
   47    HG1  THR   8           HG1      THR   8   6.023  -4.127   1.356
   48   1HG2  THR   8          HG21      THR   8   7.314  -4.412   4.176
   49   2HG2  THR   8          HG22      THR   8   6.421  -2.995   3.625
   50   3HG2  THR   8          HG23      THR   8   8.126  -2.851   4.048
   51    H    GLY   9           HN       GLY   9  10.658  -1.381   2.817
   52   1HA   GLY   9          HA2       GLY   9  11.522  -2.399   5.186
   53   2HA   GLY   9          HA1       GLY   9  12.413  -3.399   4.035
   54    H    TYR  10           HN       TYR  10  12.759  -1.399   2.026
   55    HA   TYR  10           HA       TYR  10  14.666   0.434   3.425
   56   1HB   TYR  10          HB2       TYR  10  14.822  -1.165   0.930
   57   2HB   TYR  10          HB1       TYR  10  15.582   0.416   0.894
   58    HD1  TYR  10           HD1      TYR  10  17.892  -0.277   0.847
   59    HD2  TYR  10           HD2      TYR  10  15.240  -1.737   3.887
   60    HE1  TYR  10           HE1      TYR  10  19.829  -1.188   2.096
   61    HE2  TYR  10           HE2      TYR  10  17.175  -2.646   5.140
   62    HH   TYR  10           HH       TYR  10  20.433  -2.591   3.778
   63    H    LEU  11           HN       LEU  11  14.787   2.596   2.582
   64    HA   LEU  11           HA       LEU  11  12.278   3.491   1.290
   65   1HB   LEU  11          HB2       LEU  11  13.709   4.545   3.371
   66   2HB   LEU  11          HB1       LEU  11  14.321   5.501   2.020
   67    HG   LEU  11           HG       LEU  11  12.373   6.626   2.932
   68   1HD1  LEU  11          HD11      LEU  11  11.056   6.816   0.936
   69   2HD1  LEU  11          HD12      LEU  11  11.481   5.182   0.425
   70   3HD1  LEU  11          HD13      LEU  11  12.701   6.456   0.413
   71   1HD2  LEU  11          HD21      LEU  11  10.698   4.201   2.290
   72   2HD2  LEU  11          HD22      LEU  11  10.299   5.572   3.325
   73   3HD2  LEU  11          HD23      LEU  11  11.471   4.371   3.865
   74    H    ARG  12           HN       ARG  12  12.322   3.576  -0.895
   75    HA   ARG  12           HA       ARG  12  14.375   3.209  -2.652
   76   1HB   ARG  12          HB2       ARG  12  12.017   3.570  -3.326
   77   2HB   ARG  12          HB1       ARG  12  12.206   5.297  -3.016
   78   1HG   ARG  12          HG2       ARG  12  13.451   5.639  -4.905
   79   2HG   ARG  12          HG1       ARG  12  14.247   4.068  -4.788
   80   1HD   ARG  12          HD2       ARG  12  11.307   4.263  -5.501
   81   2HD   ARG  12          HD1       ARG  12  12.549   4.418  -6.744
   82    HE   ARG  12           HE       ARG  12  13.347   2.114  -5.879
   83   1HH1  ARG  12          HH21      ARG  12  10.912   2.071  -7.690
   84   2HH1  ARG  12          HH22      ARG  12   9.847   1.031  -6.805
   85   1HH2  ARG  12          HH11      ARG  12  11.635   1.283  -3.846
   86   2HH2  ARG  12          HH12      ARG  12  10.256   0.585  -4.628
   87    H    THR  13           HN       THR  13  16.075   4.362  -3.517
   88    HA   THR  13           HA       THR  13  16.534   7.101  -2.410
   89    HB   THR  13           HB       THR  13  18.857   6.631  -2.204
   90    HG1  THR  13           HG1      THR  13  19.328   4.258  -2.940
   91   1HG2  THR  13          HG21      THR  13  16.912   4.814  -1.057
   92   2HG2  THR  13          HG22      THR  13  18.352   5.516  -0.320
   93   3HG2  THR  13          HG23      THR  13  18.476   4.022  -1.248
   94    H    ALA  14           HN       ALA  14  16.931   8.662  -3.911
   95    HA   ALA  14           HA       ALA  14  16.535   8.112  -6.690
   96   1HB   ALA  14          HB1       ALA  14  17.580  10.599  -6.751
   97   2HB   ALA  14          HB2       ALA  14  17.141  10.499  -5.046
   98   3HB   ALA  14          HB3       ALA  14  15.909  10.273  -6.288
   99    H    ASP  15           HN       ASP  15  19.186   7.394  -4.960
  100    HA   ASP  15           HA       ASP  15  21.138   8.172  -7.039
  101   1HB   ASP  15          HB2       ASP  15  22.826   7.206  -5.538
  102   2HB   ASP  15          HB1       ASP  15  21.807   8.335  -4.646
  103    H    GLY  16           HN       GLY  16  18.834   6.089  -7.130
  104   1HA   GLY  16          HA2       GLY  16  18.507   4.168  -8.399
  105   2HA   GLY  16          HA1       GLY  16  20.219   4.221  -8.784
  106    H    ARG  17           HN       ARG  17  18.649   4.052  -5.601
  107    HA   ARG  17           HA       ARG  17  19.460   1.248  -5.252
  108   1HB   ARG  17          HB2       ARG  17  21.332   3.228  -4.630
  109   2HB   ARG  17          HB1       ARG  17  20.607   2.815  -3.076
  110   1HG   ARG  17          HG2       ARG  17  20.994   0.364  -4.425
  111   2HG   ARG  17          HG1       ARG  17  22.478   1.288  -4.659
  112   1HD   ARG  17          HD2       ARG  17  21.244   1.187  -1.907
  113   2HD   ARG  17          HD1       ARG  17  22.189  -0.189  -2.472
  114    HE   ARG  17           HE       ARG  17  23.807   2.012  -2.984
  115   1HH1  ARG  17          HH21      ARG  17  24.029  -0.242  -0.809
  116   2HH1  ARG  17          HH22      ARG  17  24.348   0.736   0.585
  117   1HH2  ARG  17          HH11      ARG  17  23.403   3.699  -0.949
  118   2HH2  ARG  17          HH12      ARG  17  23.992   2.967   0.506
  119    H    CYS  18           HN       CYS  18  19.485   1.469  -2.352
  120    HA   CYS  18           HA       CYS  18  16.890   2.664  -1.642
  121   1HB   CYS  18          HB2       CYS  18  17.015  -0.026  -2.459
  122   2HB   CYS  18          HB1       CYS  18  16.930  -0.079  -0.701
  123    H    LYS  19           HN       LYS  19  16.976   3.355   0.451
  124    HA   LYS  19           HA       LYS  19  19.352   2.585   2.046
  125   1HB   LYS  19          HB2       LYS  19  19.215   4.684   2.996
  126   2HB   LYS  19          HB1       LYS  19  18.446   5.024   1.460
  127   1HG   LYS  19          HG2       LYS  19  16.250   4.301   2.735
  128   2HG   LYS  19          HG1       LYS  19  17.193   4.718   4.166
  129   1HD   LYS  19          HD2       LYS  19  17.240   6.656   1.902
  130   2HD   LYS  19          HD1       LYS  19  15.747   6.547   2.836
  131   1HE   LYS  19          HE2       LYS  19  18.396   6.764   4.245
  132   2HE   LYS  19          HE1       LYS  19  17.600   8.210   3.626
  133   1HZ   LYS  19          HZ1       LYS  19  15.956   8.065   5.138
  134   2HZ   LYS  19          HZ2       LYS  19  17.113   7.195   6.027
  135   3HZ   LYS  19          HZ3       LYS  19  15.929   6.369   5.131
  136    HA   PRO  20           HA       PRO  20  16.918   0.595   5.146
  137   1HB   PRO  20          HB2       PRO  20  17.821   1.683   7.502
  138   2HB   PRO  20          HB1       PRO  20  18.775   0.560   6.517
  139   1HG   PRO  20          HG2       PRO  20  19.115   3.492   6.867
  140   2HG   PRO  20          HG1       PRO  20  20.307   2.277   6.380
  141   1HD   PRO  20          HD2       PRO  20  18.928   4.092   4.670
  142   2HD   PRO  20          HD1       PRO  20  19.964   2.740   4.164
  143    H    THR  21           HN       THR  21  14.818   0.836   5.893
  144    HA   THR  21           HA       THR  21  13.709   3.558   6.063
  145    HB   THR  21           HB       THR  21  12.488   1.647   4.954
  146    HG1  THR  21           HG1      THR  21  11.580   3.589   6.271
  147   1HG2  THR  21          HG21      THR  21  13.217   0.196   7.116
  148   2HG2  THR  21          HG22      THR  21  11.829  -0.213   6.108
  149   3HG2  THR  21          HG23      THR  21  11.595   0.677   7.612
  150    H    PHE  22           HN       PHE  22  15.587   3.129   8.087
  151    HA   PHE  22           HA       PHE  22  15.807   3.387  10.408
  152   1HB   PHE  22          HB2       PHE  22  12.813   3.733  10.540
  153   2HB   PHE  22          HB1       PHE  22  14.052   4.481  11.549
  154    HD1  PHE  22           HD1      PHE  22  15.455   6.333  10.666
  155    HD2  PHE  22           HD2      PHE  22  12.285   4.624   8.327
  156    HE1  PHE  22           HE1      PHE  22  15.547   8.274   9.127
  157    HE2  PHE  22           HE2      PHE  22  12.376   6.566   6.786
  158    HZ   PHE  22           HZ       PHE  22  14.006   8.392   7.188
  Start of MODEL    6
    1   1H    GLU   0          HT1       GLU   0  26.000  -1.765  -1.433
    2   2H    GLU   0          HT2       GLU   0  26.151  -3.433  -1.149
    3   3H    GLU   0          HT3       GLU   0  25.378  -2.440  -0.008
    4    HA   GLU   0           HA       GLU   0  23.902  -1.920  -2.168
    5   1HB   GLU   0          HB2       GLU   0  25.071  -3.567  -3.538
    6   2HB   GLU   0          HB1       GLU   0  24.807  -4.811  -2.316
    7   1HG   GLU   0          HG2       GLU   0  22.998  -5.294  -3.642
    8   2HG   GLU   0          HG1       GLU   0  22.250  -4.016  -2.682
    9    H    ASN   1           HN       ASN   1  21.751  -2.316  -1.617
   10    HA   ASN   1           HA       ASN   1  20.968  -2.692   0.998
   11   1HB   ASN   1          HB2       ASN   1  18.817  -3.754  -0.116
   12   2HB   ASN   1          HB1       ASN   1  19.215  -2.060  -0.397
   13   1HD2  ASN   1          HD21      ASN   1  19.776  -5.318  -1.838
   14   2HD2  ASN   1          HD22      ASN   1  19.826  -4.762  -3.440
   15    H    PHE   2           HN       PHE   2  20.373  -4.487   2.296
   16    HA   PHE   2           HA       PHE   2  20.859  -7.194   1.175
   17   1HB   PHE   2          HB2       PHE   2  22.620  -5.805   3.013
   18   2HB   PHE   2          HB1       PHE   2  21.972  -7.270   3.755
   19    HD1  PHE   2           HD1      PHE   2  21.642  -9.130   1.578
   20    HD2  PHE   2           HD2      PHE   2  24.778  -6.264   2.220
   21    HE1  PHE   2           HE1      PHE   2  23.182 -10.508   0.208
   22    HE2  PHE   2           HE2      PHE   2  26.318  -7.643   0.849
   23    HZ   PHE   2           HZ       PHE   2  25.520  -9.765  -0.156
   24    H    ALA   3           HN       ALA   3  20.499  -8.728   3.379
   25    HA   ALA   3           HA       ALA   3  18.710  -9.636   4.615
   26   1HB   ALA   3          HB1       ALA   3  19.690  -7.526   5.945
   27   2HB   ALA   3          HB2       ALA   3  18.289  -8.424   6.530
   28   3HB   ALA   3          HB3       ALA   3  18.064  -6.912   5.649
   29    H    GLY   4           HN       GLY   4  17.747  -9.506   2.205
   30   1HA   GLY   4          HA2       GLY   4  15.379  -9.641   1.542
   31   2HA   GLY   4          HA1       GLY   4  15.083  -8.188   2.499
   32    H    GLY   5           HN       GLY   5  17.434  -6.762   1.572
   33   1HA   GLY   5          HA2       GLY   5  18.317  -5.778  -0.441
   34   2HA   GLY   5          HA1       GLY   5  17.003  -6.520  -1.352
   35    H    CYS   6           HN       CYS   6  16.461  -4.505  -2.318
   36    HA   CYS   6           HA       CYS   6  15.734  -2.208  -0.668
   37   1HB   CYS   6          HB2       CYS   6  16.606  -1.671  -2.773
   38   2HB   CYS   6          HB1       CYS   6  15.610  -2.852  -3.608
   39    H    ALA   7           HN       ALA   7  14.171  -4.990  -1.926
   40    HA   ALA   7           HA       ALA   7  11.476  -4.115  -2.126
   41   1HB   ALA   7          HB1       ALA   7  10.873  -6.392  -2.067
   42   2HB   ALA   7          HB2       ALA   7  12.207  -6.811  -0.991
   43   3HB   ALA   7          HB3       ALA   7  12.525  -6.430  -2.683
   44    H    THR   8           HN       THR   8  10.414  -6.054  -0.038
   45    HA   THR   8           HA       THR   8   9.666  -4.258   1.955
   46    HB   THR   8           HB       THR   8   8.722  -6.544   1.734
   47    HG1  THR   8           HG1      THR   8   9.732  -5.576   4.154
   48   1HG2  THR   8          HG21      THR   8   9.989  -8.428   2.778
   49   2HG2  THR   8          HG22      THR   8  11.385  -7.363   2.926
   50   3HG2  THR   8          HG23      THR   8  10.771  -7.792   1.330
   51    H    GLY   9           HN       GLY   9  10.736  -3.259   3.616
   52   1HA   GLY   9          HA2       GLY   9  12.353  -3.528   5.513
   53   2HA   GLY   9          HA1       GLY   9  13.417  -4.355   4.375
   54    H    TYR  10           HN       TYR  10  12.912  -2.511   2.177
   55    HA   TYR  10           HA       TYR  10  14.242  -0.055   3.232
   56   1HB   TYR  10          HB2       TYR  10  14.903  -1.831   0.917
   57   2HB   TYR  10          HB1       TYR  10  15.185  -0.109   0.749
   58    HD1  TYR  10           HD1      TYR  10  17.383   0.505   1.162
   59    HD2  TYR  10           HD2      TYR  10  15.605  -2.620   3.508
   60    HE1  TYR  10           HE1      TYR  10  19.481   0.294   2.466
   61    HE2  TYR  10           HE2      TYR  10  17.703  -2.831   4.814
   62    HH   TYR  10           HH       TYR  10  20.627  -1.435   3.830
   63    H    LEU  11           HN       LEU  11  13.728   1.894   2.059
   64    HA   LEU  11           HA       LEU  11  11.175   1.705   0.519
   65   1HB   LEU  11          HB2       LEU  11  11.392   3.128   2.707
   66   2HB   LEU  11          HB1       LEU  11  12.264   4.264   1.676
   67    HG   LEU  11           HG       LEU  11  10.097   3.689   0.111
   68   1HD1  LEU  11          HD11      LEU  11   9.416   3.085   2.919
   69   2HD1  LEU  11          HD12      LEU  11   8.604   2.594   1.432
   70   3HD1  LEU  11          HD13      LEU  11   8.301   4.191   2.116
   71   1HD2  LEU  11          HD21      LEU  11   9.206   5.887   0.940
   72   2HD2  LEU  11          HD22      LEU  11  10.926   5.931   0.555
   73   3HD2  LEU  11          HD23      LEU  11  10.401   5.833   2.236
   74    H    ARG  12           HN       ARG  12  11.484   1.908  -1.638
   75    HA   ARG  12           HA       ARG  12  13.767   2.357  -3.044
   76   1HB   ARG  12          HB2       ARG  12  12.466   2.877  -4.931
   77   2HB   ARG  12          HB1       ARG  12  11.350   1.986  -3.905
   78   1HG   ARG  12          HG2       ARG  12  10.035   3.818  -4.448
   79   2HG   ARG  12          HG1       ARG  12  10.779   4.384  -2.954
   80   1HD   ARG  12          HD2       ARG  12  10.800   5.853  -5.241
   81   2HD   ARG  12          HD1       ARG  12  12.081   5.961  -4.040
   82    HE   ARG  12           HE       ARG  12  13.487   4.615  -5.484
   83   1HH1  ARG  12          HH21      ARG  12  11.319   6.492  -7.091
   84   2HH1  ARG  12          HH22      ARG  12  11.276   5.561  -8.551
   85   1HH2  ARG  12          HH11      ARG  12  13.019   2.881  -7.201
   86   2HH2  ARG  12          HH12      ARG  12  12.240   3.513  -8.613
   87    H    THR  13           HN       THR  13  15.161   3.993  -3.454
   88    HA   THR  13           HA       THR  13  14.507   6.675  -2.326
   89    HB   THR  13           HB       THR  13  16.990   7.015  -2.318
   90    HG1  THR  13           HG1      THR  13  16.886   4.838  -3.827
   91   1HG2  THR  13          HG21      THR  13  17.202   4.752  -0.717
   92   2HG2  THR  13          HG22      THR  13  15.475   5.106  -0.714
   93   3HG2  THR  13          HG23      THR  13  16.628   6.337  -0.198
   94    H    ALA  14           HN       ALA  14  14.548   8.437  -3.686
   95    HA   ALA  14           HA       ALA  14  14.320   8.022  -6.496
   96   1HB   ALA  14          HB1       ALA  14  14.039  10.219  -4.651
   97   2HB   ALA  14          HB2       ALA  14  13.301  10.005  -6.237
   98   3HB   ALA  14          HB3       ALA  14  14.895  10.745  -6.101
   99    H    ASP  15           HN       ASP  15  17.085   7.828  -4.809
  100    HA   ASP  15           HA       ASP  15  18.742   9.178  -6.863
  101   1HB   ASP  15          HB2       ASP  15  20.646   8.612  -5.357
  102   2HB   ASP  15          HB1       ASP  15  19.411   9.567  -4.534
  103    H    GLY  16           HN       GLY  16  17.096   6.589  -7.038
  104   1HA   GLY  16          HA2       GLY  16  17.297   4.637  -8.284
  105   2HA   GLY  16          HA1       GLY  16  18.927   5.154  -8.676
  106    H    ARG  17           HN       ARG  17  17.416   4.473  -5.533
  107    HA   ARG  17           HA       ARG  17  19.017   2.031  -5.185
  108   1HB   ARG  17          HB2       ARG  17  19.573   4.490  -3.493
  109   2HB   ARG  17          HB1       ARG  17  20.240   2.883  -3.204
  110   1HG   ARG  17          HG2       ARG  17  21.117   3.017  -5.627
  111   2HG   ARG  17          HG1       ARG  17  20.795   4.749  -5.503
  112   1HD   ARG  17          HD2       ARG  17  22.795   4.982  -4.449
  113   2HD   ARG  17          HD1       ARG  17  22.141   4.043  -3.107
  114    HE   ARG  17           HE       ARG  17  23.443   2.686  -5.431
  115   1HH1  ARG  17          HH11      ARG  17  22.314   1.046  -3.210
  116   2HH1  ARG  17          HH12      ARG  17  23.697   0.784  -2.201
  117   1HH2  ARG  17          HH21      ARG  17  25.561   3.329  -3.643
  118   2HH2  ARG  17          HH22      ARG  17  25.538   2.076  -2.447
  119    H    CYS  18           HN       CYS  18  18.816   2.546  -2.170
  120    HA   CYS  18           HA       CYS  18  15.948   2.738  -1.683
  121   1HB   CYS  18          HB2       CYS  18  16.921   0.226  -2.411
  122   2HB   CYS  18          HB1       CYS  18  16.842   0.161  -0.650
  123    H    LYS  19           HN       LYS  19  15.557   3.215   0.467
  124    HA   LYS  19           HA       LYS  19  17.961   3.483   2.201
  125   1HB   LYS  19          HB2       LYS  19  15.506   5.016   1.794
  126   2HB   LYS  19          HB1       LYS  19  15.800   4.678   3.499
  127   1HG   LYS  19          HG2       LYS  19  18.107   5.561   3.259
  128   2HG   LYS  19          HG1       LYS  19  17.766   5.950   1.572
  129   1HD   LYS  19          HD2       LYS  19  17.445   7.956   2.914
  130   2HD   LYS  19          HD1       LYS  19  15.873   7.398   2.342
  131   1HE   LYS  19          HE2       LYS  19  15.140   6.972   4.441
  132   2HE   LYS  19          HE1       LYS  19  16.651   6.188   4.896
  133   1HZ   LYS  19          HZ1       LYS  19  17.610   8.186   5.496
  134   2HZ   LYS  19          HZ2       LYS  19  16.009   8.381   6.030
  135   3HZ   LYS  19          HZ3       LYS  19  16.521   9.116   4.586
  136    HA   PRO  20           HA       PRO  20  16.463   0.480   5.057
  137   1HB   PRO  20          HB2       PRO  20  17.054   1.648   7.472
  138   2HB   PRO  20          HB1       PRO  20  18.281   0.963   6.393
  139   1HG   PRO  20          HG2       PRO  20  17.649   3.823   6.935
  140   2HG   PRO  20          HG1       PRO  20  19.166   3.095   6.383
  141   1HD   PRO  20          HD2       PRO  20  17.280   4.462   4.760
  142   2HD   PRO  20          HD1       PRO  20  18.649   3.487   4.186
  143    H    THR  21           HN       THR  21  14.602  -0.048   6.317
  144    HA   THR  21           HA       THR  21  12.517   2.035   6.383
  145    HB   THR  21           HB       THR  21  12.434  -0.909   7.120
  146    HG1  THR  21           HG1      THR  21  11.411  -1.088   5.135
  147   1HG2  THR  21          HG21      THR  21   9.864  -0.126   6.592
  148   2HG2  THR  21          HG22      THR  21  10.504   1.301   7.408
  149   3HG2  THR  21          HG23      THR  21  10.549  -0.268   8.211
  150    H    PHE  22           HN       PHE  22  14.790   2.319   8.205
  151    HA   PHE  22           HA       PHE  22  15.266   2.573  10.504
  152   1HB   PHE  22          HB2       PHE  22  12.423   3.549  10.171
  153   2HB   PHE  22          HB1       PHE  22  13.317   3.739  11.681
  154    HD1  PHE  22           HD1      PHE  22  15.567   4.967  11.627
  155    HD2  PHE  22           HD2      PHE  22  12.809   5.039   8.334
  156    HE1  PHE  22           HE1      PHE  22  16.716   6.964  10.707
  157    HE2  PHE  22           HE2      PHE  22  13.957   7.036   7.416
  158    HZ   PHE  22           HZ       PHE  22  15.911   7.998   8.601
  Start of MODEL    7
    1   1H    GLU   0          HT1       GLU   0  22.603  -7.471  -4.407
    2   2H    GLU   0          HT2       GLU   0  22.434  -7.313  -2.723
    3   3H    GLU   0          HT3       GLU   0  23.680  -6.492  -3.535
    4    HA   GLU   0           HA       GLU   0  22.364  -4.819  -4.191
    5   1HB   GLU   0          HB2       GLU   0  21.113  -6.134  -5.778
    6   2HB   GLU   0          HB1       GLU   0  20.230  -6.949  -4.486
    7   1HG   GLU   0          HG2       GLU   0  18.694  -5.308  -4.444
    8   2HG   GLU   0          HG1       GLU   0  19.950  -4.098  -4.185
    9    H    ASN   1           HN       ASN   1  22.123  -3.516  -2.443
   10    HA   ASN   1           HA       ASN   1  21.457  -2.792  -0.305
   11   1HB   ASN   1          HB2       ASN   1  18.979  -4.016  -1.512
   12   2HB   ASN   1          HB1       ASN   1  18.942  -3.297   0.097
   13   1HD2  ASN   1          HD21      ASN   1  17.380  -2.025  -1.775
   14   2HD2  ASN   1          HD22      ASN   1  18.097  -0.571  -2.276
   15    H    PHE   2           HN       PHE   2  19.828  -3.860   1.631
   16    HA   PHE   2           HA       PHE   2  20.910  -6.605   2.099
   17   1HB   PHE   2          HB2       PHE   2  22.320  -5.259   3.449
   18   2HB   PHE   2          HB1       PHE   2  20.997  -4.190   3.912
   19    HD1  PHE   2           HD1      PHE   2  19.459  -4.776   5.677
   20    HD2  PHE   2           HD2      PHE   2  22.502  -7.534   4.419
   21    HE1  PHE   2           HE1      PHE   2  19.020  -6.172   7.679
   22    HE2  PHE   2           HE2      PHE   2  22.063  -8.931   6.422
   23    HZ   PHE   2           HZ       PHE   2  20.321  -8.249   8.052
   24    H    ALA   3           HN       ALA   3  19.646  -7.695   3.937
   25    HA   ALA   3           HA       ALA   3  17.583  -8.432   4.780
   26   1HB   ALA   3          HB1       ALA   3  15.959  -6.132   4.683
   27   2HB   ALA   3          HB2       ALA   3  17.591  -5.542   4.999
   28   3HB   ALA   3          HB3       ALA   3  16.860  -6.733   6.075
   29    H    GLY   4           HN       GLY   4  17.751  -9.240   2.311
   30   1HA   GLY   4          HA2       GLY   4  16.266 -10.012   0.626
   31   2HA   GLY   4          HA1       GLY   4  15.044  -8.892   1.231
   32    H    GLY   5           HN       GLY   5  17.576  -6.929   1.056
   33   1HA   GLY   5          HA2       GLY   5  18.627  -5.727  -0.756
   34   2HA   GLY   5          HA1       GLY   5  17.481  -6.469  -1.874
   35    H    CYS   6           HN       CYS   6  16.405  -4.750  -2.750
   36    HA   CYS   6           HA       CYS   6  15.659  -2.425  -1.131
   37   1HB   CYS   6          HB2       CYS   6  16.273  -2.091  -3.442
   38   2HB   CYS   6          HB1       CYS   6  15.033  -3.216  -3.986
   39    H    ALA   7           HN       ALA   7  14.297  -5.438  -1.978
   40    HA   ALA   7           HA       ALA   7  11.528  -4.942  -2.020
   41   1HB   ALA   7          HB1       ALA   7  12.768  -7.180  -2.297
   42   2HB   ALA   7          HB2       ALA   7  11.231  -7.231  -1.434
   43   3HB   ALA   7          HB3       ALA   7  12.748  -7.276  -0.536
   44    H    THR   8           HN       THR   8  10.301  -6.124   0.152
   45    HA   THR   8           HA       THR   8   9.870  -4.137   1.999
   46    HB   THR   8           HB       THR   8   8.676  -6.339   1.960
   47    HG1  THR   8           HG1      THR   8   8.206  -6.201   4.071
   48   1HG2  THR   8          HG21      THR   8  10.904  -7.617   1.912
   49   2HG2  THR   8          HG22      THR   8   9.633  -8.271   2.945
   50   3HG2  THR   8          HG23      THR   8  10.959  -7.349   3.654
   51    H    GLY   9           HN       GLY   9  11.309  -2.981   3.146
   52   1HA   GLY   9          HA2       GLY   9  12.799  -3.463   5.266
   53   2HA   GLY   9          HA1       GLY   9  13.812  -4.287   4.079
   54    H    TYR  10           HN       TYR  10  13.363  -2.418   1.917
   55    HA   TYR  10           HA       TYR  10  14.959  -0.129   2.971
   56   1HB   TYR  10          HB2       TYR  10  14.947  -1.646   0.398
   57   2HB   TYR  10          HB1       TYR  10  15.306   0.071   0.325
   58    HD1  TYR  10           HD1      TYR  10  17.599   0.423   0.161
   59    HD2  TYR  10           HD2      TYR  10  16.112  -2.592   2.835
   60    HE1  TYR  10           HE1      TYR  10  19.907  -0.003   0.960
   61    HE2  TYR  10           HE2      TYR  10  18.422  -3.018   3.636
   62    HH   TYR  10           HH       TYR  10  21.119  -2.082   2.050
   63    H    LEU  11           HN       LEU  11  14.577   1.754   0.995
   64    HA   LEU  11           HA       LEU  11  11.627   2.109   0.763
   65   1HB   LEU  11          HB2       LEU  11  13.058   3.377   2.732
   66   2HB   LEU  11          HB1       LEU  11  13.119   4.564   1.429
   67    HG   LEU  11           HG       LEU  11  10.467   3.501   1.535
   68   1HD1  LEU  11          HD11      LEU  11  10.446   4.835   4.017
   69   2HD1  LEU  11          HD12      LEU  11  11.761   3.663   4.120
   70   3HD1  LEU  11          HD13      LEU  11  10.127   3.124   3.730
   71   1HD2  LEU  11          HD21      LEU  11  11.885   6.100   1.775
   72   2HD2  LEU  11          HD22      LEU  11  10.258   6.046   2.455
   73   3HD2  LEU  11          HD23      LEU  11  10.516   5.655   0.755
   74    H    ARG  12           HN       ARG  12  11.840   4.791  -0.276
   75    HA   ARG  12           HA       ARG  12  13.086   4.125  -2.902
   76   1HB   ARG  12          HB2       ARG  12  10.612   4.769  -2.706
   77   2HB   ARG  12          HB1       ARG  12  11.177   6.402  -2.354
   78   1HG   ARG  12          HG2       ARG  12  12.653   5.524  -4.602
   79   2HG   ARG  12          HG1       ARG  12  10.974   5.079  -4.909
   80   1HD   ARG  12          HD2       ARG  12  12.082   7.845  -4.314
   81   2HD   ARG  12          HD1       ARG  12  11.189   7.323  -5.741
   82    HE   ARG  12           HE       ARG  12  10.021   8.014  -3.127
   83   1HH1  ARG  12          HH11      ARG  12   8.998   5.368  -4.400
   84   2HH1  ARG  12          HH12      ARG  12   7.580   5.950  -5.206
   85   1HH2  ARG  12          HH21      ARG  12   8.487   9.287  -4.961
   86   2HH2  ARG  12          HH22      ARG  12   7.291   8.169  -5.525
   87    H    THR  13           HN       THR  13  15.033   5.042  -3.295
   88    HA   THR  13           HA       THR  13  15.592   7.702  -2.044
   89    HB   THR  13           HB       THR  13  18.039   7.035  -2.409
   90    HG1  THR  13           HG1      THR  13  18.076   4.586  -2.316
   91   1HG2  THR  13          HG21      THR  13  17.012   5.034  -0.520
   92   2HG2  THR  13          HG22      THR  13  16.320   6.641  -0.297
   93   3HG2  THR  13          HG23      THR  13  18.068   6.417  -0.232
   94    H    ALA  14           HN       ALA  14  15.964   9.358  -3.432
   95    HA   ALA  14           HA       ALA  14  15.541   9.036  -6.239
   96   1HB   ALA  14          HB1       ALA  14  16.709  11.372  -4.716
   97   2HB   ALA  14          HB2       ALA  14  15.004  11.132  -5.099
   98   3HB   ALA  14          HB3       ALA  14  16.165  11.431  -6.393
   99    H    ASP  15           HN       ASP  15  18.173   8.107  -4.590
  100    HA   ASP  15           HA       ASP  15  20.175   9.001  -6.556
  101   1HB   ASP  15          HB2       ASP  15  21.782   7.794  -5.147
  102   2HB   ASP  15          HB1       ASP  15  20.780   8.840  -4.139
  103    H    GLY  16           HN       GLY  16  17.775   7.011  -6.887
  104   1HA   GLY  16          HA2       GLY  16  17.392   5.252  -8.365
  105   2HA   GLY  16          HA1       GLY  16  19.102   5.310  -8.757
  106    H    ARG  17           HN       ARG  17  17.555   4.842  -5.609
  107    HA   ARG  17           HA       ARG  17  18.343   2.001  -5.542
  108   1HB   ARG  17          HB2       ARG  17  20.222   3.847  -4.726
  109   2HB   ARG  17          HB1       ARG  17  19.404   3.465  -3.213
  110   1HG   ARG  17          HG2       ARG  17  20.404   1.450  -3.112
  111   2HG   ARG  17          HG1       ARG  17  19.870   1.053  -4.746
  112   1HD   ARG  17          HD2       ARG  17  21.999   3.042  -4.828
  113   2HD   ARG  17          HD1       ARG  17  22.523   1.612  -3.937
  114    HE   ARG  17           HE       ARG  17  21.526   0.398  -6.086
  115   1HH1  ARG  17          HH11      ARG  17  24.368   1.881  -5.734
  116   2HH1  ARG  17          HH12      ARG  17  24.565   2.415  -7.370
  117   1HH2  ARG  17          HH21      ARG  17  21.288   1.729  -8.270
  118   2HH2  ARG  17          HH22      ARG  17  22.821   2.332  -8.804
  119    H    CYS  18           HN       CYS  18  18.298   2.159  -2.541
  120    HA   CYS  18           HA       CYS  18  15.530   3.073  -2.042
  121   1HB   CYS  18          HB2       CYS  18  16.443   0.246  -1.435
  122   2HB   CYS  18          HB1       CYS  18  14.838   0.918  -1.155
  123    H    LYS  19           HN       LYS  19  15.145   3.500   0.201
  124    HA   LYS  19           HA       LYS  19  17.663   3.784   1.748
  125   1HB   LYS  19          HB2       LYS  19  16.341   5.801   1.562
  126   2HB   LYS  19          HB1       LYS  19  14.901   4.961   2.142
  127   1HG   LYS  19          HG2       LYS  19  17.036   4.564   4.026
  128   2HG   LYS  19          HG1       LYS  19  16.873   6.290   3.697
  129   1HD   LYS  19          HD2       LYS  19  14.239   5.300   3.910
  130   2HD   LYS  19          HD1       LYS  19  15.137   4.568   5.240
  131   1HE   LYS  19          HE2       LYS  19  15.455   7.501   4.661
  132   2HE   LYS  19          HE1       LYS  19  14.059   6.934   5.578
  133   1HZ   LYS  19          HZ1       LYS  19  16.540   5.778   6.446
  134   2HZ   LYS  19          HZ2       LYS  19  15.311   6.519   7.355
  135   3HZ   LYS  19          HZ3       LYS  19  16.508   7.466   6.607
  136    HA   PRO  20           HA       PRO  20  16.407   0.341   4.268
  137   1HB   PRO  20          HB2       PRO  20  18.508   0.513   6.033
  138   2HB   PRO  20          HB1       PRO  20  18.627  -0.226   4.427
  139   1HG   PRO  20          HG2       PRO  20  19.644   2.422   5.356
  140   2HG   PRO  20          HG1       PRO  20  20.253   1.380   4.059
  141   1HD   PRO  20          HD2       PRO  20  18.674   3.693   3.699
  142   2HD   PRO  20          HD1       PRO  20  18.974   2.440   2.476
  143    H    THR  21           HN       THR  21  14.889   0.435   5.851
  144    HA   THR  21           HA       THR  21  14.678   2.857   7.524
  145    HB   THR  21           HB       THR  21  12.604   2.078   6.598
  146    HG1  THR  21           HG1      THR  21  12.046   2.665   8.560
  147   1HG2  THR  21          HG21      THR  21  13.705  -0.562   7.386
  148   2HG2  THR  21          HG22      THR  21  12.731  -0.120   5.984
  149   3HG2  THR  21          HG23      THR  21  11.959  -0.368   7.550
  150    H    PHE  22           HN       PHE  22  16.953   1.630   8.261
  151    HA   PHE  22           HA       PHE  22  17.097  -0.458  10.032
  152   1HB   PHE  22          HB2       PHE  22  18.551   1.399  11.447
  153   2HB   PHE  22          HB1       PHE  22  19.158   0.490  10.066
  154    HD1  PHE  22           HD1      PHE  22  20.456   1.916   8.717
  155    HD2  PHE  22           HD2      PHE  22  16.751   3.381  10.323
  156    HE1  PHE  22           HE1      PHE  22  20.731   4.021   7.437
  157    HE2  PHE  22           HE2      PHE  22  17.027   5.485   9.046
  158    HZ   PHE  22           HZ       PHE  22  19.018   5.807   7.602
  Start of MODEL    8
    1   1H    GLU   0          HT1       GLU   0  19.257  -5.812  -4.345
    2   2H    GLU   0          HT2       GLU   0  20.458  -7.014  -4.368
    3   3H    GLU   0          HT3       GLU   0  20.824  -5.433  -4.873
    4    HA   GLU   0           HA       GLU   0  21.114  -6.500  -2.334
    5   1HB   GLU   0          HB2       GLU   0  21.942  -4.241  -1.825
    6   2HB   GLU   0          HB1       GLU   0  22.511  -4.757  -3.413
    7   1HG   GLU   0          HG2       GLU   0  21.218  -3.230  -4.526
    8   2HG   GLU   0          HG1       GLU   0  19.905  -3.331  -3.350
    9    H    ASN   1           HN       ASN   1  20.484  -4.296  -0.649
   10    HA   ASN   1           HA       ASN   1  18.704  -3.353   0.575
   11   1HB   ASN   1          HB2       ASN   1  16.793  -4.367  -1.529
   12   2HB   ASN   1          HB1       ASN   1  16.631  -2.953  -0.484
   13   1HD2  ASN   1          HD21      ASN   1  18.864  -1.481  -0.816
   14   2HD2  ASN   1          HD22      ASN   1  19.153  -1.109  -2.447
   15    H    PHE   2           HN       PHE   2  19.663  -5.890   1.197
   16    HA   PHE   2           HA       PHE   2  19.083  -7.908   2.250
   17   1HB   PHE   2          HB2       PHE   2  17.277  -5.781   3.194
   18   2HB   PHE   2          HB1       PHE   2  16.661  -7.412   3.447
   19    HD1  PHE   2           HD1      PHE   2  17.036  -8.005   5.681
   20    HD2  PHE   2           HD2      PHE   2  20.141  -6.027   3.470
   21    HE1  PHE   2           HE1      PHE   2  18.583  -8.293   7.599
   22    HE2  PHE   2           HE2      PHE   2  21.688  -6.315   5.385
   23    HZ   PHE   2           HZ       PHE   2  20.911  -7.448   7.449
   24    H    ALA   3           HN       ALA   3  16.777  -9.271   2.665
   25    HA   ALA   3           HA       ALA   3  16.043 -10.057  -0.043
   26   1HB   ALA   3          HB1       ALA   3  14.359 -11.337   1.861
   27   2HB   ALA   3          HB2       ALA   3  15.976 -11.249   2.560
   28   3HB   ALA   3          HB3       ALA   3  15.732 -12.026   0.996
   29    H    GLY   4           HN       GLY   4  15.115  -7.437   1.401
   30   1HA   GLY   4          HA2       GLY   4  12.200  -7.760   0.900
   31   2HA   GLY   4          HA1       GLY   4  12.925  -6.444   1.829
   32    H    GLY   5           HN       GLY   5  15.066  -6.653  -0.531
   33   1HA   GLY   5          HA2       GLY   5  15.427  -5.521  -2.557
   34   2HA   GLY   5          HA1       GLY   5  13.691  -5.640  -2.850
   35    H    CYS   6           HN       CYS   6  14.626  -3.335  -3.679
   36    HA   CYS   6           HA       CYS   6  14.753  -1.301  -1.583
   37   1HB   CYS   6          HB2       CYS   6  16.018  -0.878  -3.562
   38   2HB   CYS   6          HB1       CYS   6  14.631  -1.184  -4.603
   39    H    ALA   7           HN       ALA   7  12.331  -2.784  -3.534
   40    HA   ALA   7           HA       ALA   7  10.328  -0.786  -3.605
   41   1HB   ALA   7          HB1       ALA   7   9.756  -3.719  -3.151
   42   2HB   ALA   7          HB2       ALA   7  10.301  -3.096  -4.708
   43   3HB   ALA   7          HB3       ALA   7   8.774  -2.543  -4.022
   44    H    THR   8           HN       THR   8   8.188  -2.237  -2.146
   45    HA   THR   8           HA       THR   8   7.974  -0.793   0.191
   46    HB   THR   8           HB       THR   8   6.272  -2.421  -0.762
   47    HG1  THR   8           HG1      THR   8   5.342  -2.157   1.088
   48   1HG2  THR   8          HG21      THR   8   8.219  -4.276  -0.490
   49   2HG2  THR   8          HG22      THR   8   6.503  -4.683  -0.513
   50   3HG2  THR   8          HG23      THR   8   7.352  -4.531   1.025
   51    H    GLY   9           HN       GLY   9   9.328  -0.595   1.908
   52   1HA   GLY   9          HA2       GLY   9  10.183  -1.963   3.890
   53   2HA   GLY   9          HA1       GLY   9  10.968  -2.976   2.679
   54    H    TYR  10           HN       TYR  10  11.757  -0.730   0.967
   55    HA   TYR  10           HA       TYR  10  13.900   0.408   2.706
   56   1HB   TYR  10          HB2       TYR  10  13.902  -0.713  -0.059
   57   2HB   TYR  10          HB1       TYR  10  14.946   0.669   0.252
   58    HD1  TYR  10           HD1      TYR  10  17.118   0.174   0.895
   59    HD2  TYR  10           HD2      TYR  10  13.943  -2.484   2.030
   60    HE1  TYR  10           HE1      TYR  10  18.761  -1.303   2.019
   61    HE2  TYR  10           HE2      TYR  10  15.586  -3.964   3.155
   62    HH   TYR  10           HH       TYR  10  19.054  -3.127   3.243
   63    H    LEU  11           HN       LEU  11  14.872   2.437   1.382
   64    HA   LEU  11           HA       LEU  11  12.660   4.098   0.306
   65   1HB   LEU  11          HB2       LEU  11  13.798   4.390   2.933
   66   2HB   LEU  11          HB1       LEU  11  14.245   5.789   1.956
   67    HG   LEU  11           HG       LEU  11  12.057   6.087   3.133
   68   1HD1  LEU  11          HD11      LEU  11  12.320   7.408   1.182
   69   2HD1  LEU  11          HD12      LEU  11  10.757   6.619   0.967
   70   3HD1  LEU  11          HD13      LEU  11  12.178   6.010   0.116
   71   1HD2  LEU  11          HD21      LEU  11  11.589   3.501   2.644
   72   2HD2  LEU  11          HD22      LEU  11  10.810   4.166   1.208
   73   3HD2  LEU  11          HD23      LEU  11  10.267   4.655   2.813
   74    H    ARG  12           HN       ARG  12  13.523   4.394  -1.704
   75    HA   ARG  12           HA       ARG  12  16.090   4.304  -2.625
   76   1HB   ARG  12          HB2       ARG  12  14.004   6.357  -3.405
   77   2HB   ARG  12          HB1       ARG  12  15.451   5.993  -4.345
   78   1HG   ARG  12          HG2       ARG  12  14.459   3.487  -3.977
   79   2HG   ARG  12          HG1       ARG  12  12.964   4.421  -4.027
   80   1HD   ARG  12          HD2       ARG  12  14.868   5.264  -6.101
   81   2HD   ARG  12          HD1       ARG  12  14.413   3.568  -6.261
   82    HE   ARG  12           HE       ARG  12  12.381   5.762  -6.121
   83   1HH1  ARG  12          HH11      ARG  12  13.945   3.514  -8.094
   84   2HH1  ARG  12          HH12      ARG  12  12.500   2.904  -8.830
   85   1HH2  ARG  12          HH21      ARG  12  10.374   4.678  -6.741
   86   2HH2  ARG  12          HH22      ARG  12  10.477   3.565  -8.064
   87    H    THR  13           HN       THR  13  17.914   5.190  -1.816
   88    HA   THR  13           HA       THR  13  17.790   7.901  -0.616
   89    HB   THR  13           HB       THR  13  19.638   7.333   0.657
   90    HG1  THR  13           HG1      THR  13  20.538   5.185  -0.799
   91   1HG2  THR  13          HG21      THR  13  19.263   5.201   1.584
   92   2HG2  THR  13          HG22      THR  13  18.794   4.510   0.031
   93   3HG2  THR  13          HG23      THR  13  17.705   5.615   0.868
   94    H    ALA  14           HN       ALA  14  19.349   9.498  -1.291
   95    HA   ALA  14           HA       ALA  14  19.682   9.670  -4.111
   96   1HB   ALA  14          HB1       ALA  14  20.502  11.292  -1.769
   97   2HB   ALA  14          HB2       ALA  14  19.631  11.775  -3.225
   98   3HB   ALA  14          HB3       ALA  14  21.382  11.569  -3.272
   99    H    ASP  15           HN       ASP  15  21.342   7.591  -2.296
  100    HA   ASP  15           HA       ASP  15  23.994   8.098  -3.475
  101   1HB   ASP  15          HB2       ASP  15  24.731   6.196  -2.166
  102   2HB   ASP  15          HB1       ASP  15  23.702   7.184  -1.127
  103    H    GLY  16           HN       GLY  16  21.253   7.183  -4.779
  104   1HA   GLY  16          HA2       GLY  16  20.797   6.081  -6.777
  105   2HA   GLY  16          HA1       GLY  16  22.479   5.584  -6.810
  106    H    ARG  17           HN       ARG  17  20.374   5.049  -4.060
  107    HA   ARG  17           HA       ARG  17  19.893   2.221  -4.783
  108   1HB   ARG  17          HB2       ARG  17  21.628   2.979  -2.403
  109   2HB   ARG  17          HB1       ARG  17  21.033   1.357  -2.750
  110   1HG   ARG  17          HG2       ARG  17  22.780   2.954  -4.640
  111   2HG   ARG  17          HG1       ARG  17  23.384   1.735  -3.521
  112   1HD   ARG  17          HD2       ARG  17  22.565  -0.018  -4.769
  113   2HD   ARG  17          HD1       ARG  17  21.106   0.860  -5.227
  114    HE   ARG  17           HE       ARG  17  23.661   1.679  -6.498
  115   1HH1  ARG  17          HH11      ARG  17  21.297  -0.704  -6.765
  116   2HH1  ARG  17          HH12      ARG  17  20.902  -0.371  -8.418
  117   1HH2  ARG  17          HH21      ARG  17  22.848   2.492  -8.585
  118   2HH2  ARG  17          HH22      ARG  17  21.775   1.440  -9.446
  119    H    CYS  18           HN       CYS  18  19.598   1.744  -1.774
  120    HA   CYS  18           HA       CYS  18  17.418   3.573  -1.049
  121   1HB   CYS  18          HB2       CYS  18  16.864   0.605  -1.312
  122   2HB   CYS  18          HB1       CYS  18  15.712   1.880  -0.916
  123    H    LYS  19           HN       LYS  19  16.864   3.343   1.217
  124    HA   LYS  19           HA       LYS  19  18.911   1.779   2.742
  125   1HB   LYS  19          HB2       LYS  19  17.868   4.499   2.993
  126   2HB   LYS  19          HB1       LYS  19  17.777   3.602   4.508
  127   1HG   LYS  19          HG2       LYS  19  20.193   2.940   4.155
  128   2HG   LYS  19          HG1       LYS  19  20.235   4.076   2.805
  129   1HD   LYS  19          HD2       LYS  19  21.068   5.209   4.784
  130   2HD   LYS  19          HD1       LYS  19  19.489   5.883   4.378
  131   1HE   LYS  19          HE2       LYS  19  18.411   4.732   6.135
  132   2HE   LYS  19          HE1       LYS  19  19.746   3.595   6.327
  133   1HZ   LYS  19          HZ1       LYS  19  19.676   5.312   8.067
  134   2HZ   LYS  19          HZ2       LYS  19  19.917   6.506   6.883
  135   3HZ   LYS  19          HZ3       LYS  19  21.122   5.344   7.179
  136    HA   PRO  20           HA       PRO  20  15.715  -0.435   4.792
  137   1HB   PRO  20          HB2       PRO  20  16.704  -0.585   7.351
  138   2HB   PRO  20          HB1       PRO  20  17.360  -1.514   5.993
  139   1HG   PRO  20          HG2       PRO  20  18.505   0.875   7.357
  140   2HG   PRO  20          HG1       PRO  20  19.334  -0.415   6.472
  141   1HD   PRO  20          HD2       PRO  20  18.767   2.184   5.488
  142   2HD   PRO  20          HD1       PRO  20  19.313   0.794   4.525
  143    H    THR  21           HN       THR  21  13.723   0.181   5.581
  144    HA   THR  21           HA       THR  21  13.516   2.805   6.939
  145    HB   THR  21           HB       THR  21  11.998   2.212   5.028
  146    HG1  THR  21           HG1      THR  21  10.548   3.412   5.955
  147   1HG2  THR  21          HG21      THR  21  11.708  -0.174   6.535
  148   2HG2  THR  21          HG22      THR  21  10.929   0.237   5.008
  149   3HG2  THR  21          HG23      THR  21  10.138   0.626   6.535
  150    H    PHE  22           HN       PHE  22  14.734   1.232   8.692
  151    HA   PHE  22           HA       PHE  22  13.056  -0.458  10.294
  152   1HB   PHE  22          HB2       PHE  22  14.847   0.126  12.095
  153   2HB   PHE  22          HB1       PHE  22  15.362  -0.757  10.657
  154    HD1  PHE  22           HD1      PHE  22  17.362   0.005   9.703
  155    HD2  PHE  22           HD2      PHE  22  14.746   2.848  11.583
  156    HE1  PHE  22           HE1      PHE  22  18.945   1.830   9.145
  157    HE2  PHE  22           HE2      PHE  22  16.331   4.673  11.025
  158    HZ   PHE  22           HZ       PHE  22  18.430   4.164   9.806
  Start of MODEL    9
    1   1H    GLU   0          HT1       GLU   0  23.230  -4.178  -3.215
    2   2H    GLU   0          HT2       GLU   0  23.067  -5.272  -1.925
    3   3H    GLU   0          HT3       GLU   0  24.555  -4.502  -2.206
    4    HA   GLU   0           HA       GLU   0  23.827  -3.180  -0.538
    5   1HB   GLU   0          HB2       GLU   0  23.041  -1.129  -1.452
    6   2HB   GLU   0          HB1       GLU   0  23.943  -1.890  -2.762
    7   1HG   GLU   0          HG2       GLU   0  21.586  -2.937  -3.354
    8   2HG   GLU   0          HG1       GLU   0  20.980  -1.549  -2.449
    9    H    ASN   1           HN       ASN   1  22.169  -2.654   0.943
   10    HA   ASN   1           HA       ASN   1  20.152  -3.025   2.084
   11   1HB   ASN   1          HB2       ASN   1  19.003  -3.129  -0.722
   12   2HB   ASN   1          HB1       ASN   1  18.114  -2.800   0.766
   13   1HD2  ASN   1          HD21      ASN   1  20.031  -1.054   2.025
   14   2HD2  ASN   1          HD22      ASN   1  20.120   0.375   1.114
   15    H    PHE   2           HN       PHE   2  20.026  -4.991   3.067
   16    HA   PHE   2           HA       PHE   2  19.492  -7.369   1.332
   17   1HB   PHE   2          HB2       PHE   2  21.450  -6.919   3.401
   18   2HB   PHE   2          HB1       PHE   2  20.368  -8.225   3.887
   19    HD1  PHE   2           HD1      PHE   2  19.970 -10.155   2.282
   20    HD2  PHE   2           HD2      PHE   2  23.068  -7.238   1.688
   21    HE1  PHE   2           HE1      PHE   2  21.112 -11.689   0.704
   22    HE2  PHE   2           HE2      PHE   2  24.209  -8.773   0.110
   23    HZ   PHE   2           HZ       PHE   2  23.231 -10.998  -0.383
   24    H    ALA   3           HN       ALA   3  18.764  -9.086   3.502
   25    HA   ALA   3           HA       ALA   3  16.758  -9.722   4.559
   26   1HB   ALA   3          HB1       ALA   3  16.638  -6.871   5.544
   27   2HB   ALA   3          HB2       ALA   3  17.863  -7.992   6.141
   28   3HB   ALA   3          HB3       ALA   3  16.152  -8.345   6.383
   29    H    GLY   4           HN       GLY   4  16.496  -8.738   1.854
   30   1HA   GLY   4          HA2       GLY   4  13.950  -8.744   1.156
   31   2HA   GLY   4          HA1       GLY   4  13.976  -7.162   1.941
   32    H    GLY   5           HN       GLY   5  16.528  -6.286   1.127
   33   1HA   GLY   5          HA2       GLY   5  17.794  -5.742  -0.853
   34   2HA   GLY   5          HA1       GLY   5  16.496  -6.421  -1.835
   35    H    CYS   6           HN       CYS   6  16.703  -4.365  -3.048
   36    HA   CYS   6           HA       CYS   6  15.700  -1.946  -1.680
   37   1HB   CYS   6          HB2       CYS   6  17.446  -1.468  -3.191
   38   2HB   CYS   6          HB1       CYS   6  16.796  -2.537  -4.429
   39    H    ALA   7           HN       ALA   7  14.642  -4.463  -3.817
   40    HA   ALA   7           HA       ALA   7  12.388  -3.295  -5.037
   41   1HB   ALA   7          HB1       ALA   7  13.434  -5.755  -5.129
   42   2HB   ALA   7          HB2       ALA   7  11.764  -5.441  -5.603
   43   3HB   ALA   7          HB3       ALA   7  12.119  -6.082  -3.999
   44    H    THR   8           HN       THR   8  10.153  -4.791  -4.125
   45    HA   THR   8           HA       THR   8   8.868  -3.140  -2.352
   46    HB   THR   8           HB       THR   8   7.942  -5.229  -3.509
   47    HG1  THR   8           HG1      THR   8   6.913  -3.872  -1.813
   48   1HG2  THR   8          HG21      THR   8   9.700  -6.711  -2.394
   49   2HG2  THR   8          HG22      THR   8   8.043  -7.314  -2.365
   50   3HG2  THR   8          HG23      THR   8   8.737  -6.572  -0.924
   51    H    GLY   9           HN       GLY   9   9.520  -2.389  -0.413
   52   1HA   GLY   9          HA2       GLY   9   9.691  -3.352   2.004
   53   2HA   GLY   9          HA1       GLY   9  11.100  -4.194   1.358
   54    H    TYR  10           HN       TYR  10  12.098  -2.094  -0.304
   55    HA   TYR  10           HA       TYR  10  13.011  -0.212   1.819
   56   1HB   TYR  10          HB2       TYR  10  14.299  -1.368  -0.635
   57   2HB   TYR  10          HB1       TYR  10  14.838   0.193  -0.033
   58    HD1  TYR  10           HD1      TYR  10  16.884  -0.127   1.066
   59    HD2  TYR  10           HD2      TYR  10  13.652  -2.867   1.771
   60    HE1  TYR  10           HE1      TYR  10  18.226  -1.259   2.816
   61    HE2  TYR  10           HE2      TYR  10  14.995  -4.000   3.521
   62    HH   TYR  10           HH       TYR  10  17.947  -4.033   3.837
   63    H    LEU  11           HN       LEU  11  13.903   1.912   0.483
   64    HA   LEU  11           HA       LEU  11  11.915   2.760  -1.528
   65   1HB   LEU  11          HB2       LEU  11  11.641   4.939  -0.131
   66   2HB   LEU  11          HB1       LEU  11  10.721   3.517   0.360
   67    HG   LEU  11           HG       LEU  11  13.418   3.655   1.529
   68   1HD1  LEU  11          HD11      LEU  11  12.581   5.372   3.243
   69   2HD1  LEU  11          HD12      LEU  11  11.349   5.798   2.054
   70   3HD1  LEU  11          HD13      LEU  11  13.058   6.006   1.668
   71   1HD2  LEU  11          HD21      LEU  11  11.617   2.030   2.145
   72   2HD2  LEU  11          HD22      LEU  11  10.651   3.377   2.748
   73   3HD2  LEU  11          HD23      LEU  11  12.184   2.974   3.523
   74    H    ARG  12           HN       ARG  12  13.181   3.512  -3.096
   75    HA   ARG  12           HA       ARG  12  15.762   3.983  -3.397
   76   1HB   ARG  12          HB2       ARG  12  15.133   6.153  -4.730
   77   2HB   ARG  12          HB1       ARG  12  14.525   4.585  -5.265
   78   1HG   ARG  12          HG2       ARG  12  12.377   5.112  -4.756
   79   2HG   ARG  12          HG1       ARG  12  12.835   5.895  -3.242
   80   1HD   ARG  12          HD2       ARG  12  12.907   7.088  -6.035
   81   2HD   ARG  12          HD1       ARG  12  11.978   7.654  -4.647
   82    HE   ARG  12           HE       ARG  12  14.658   7.785  -3.850
   83   1HH1  ARG  12          HH11      ARG  12  15.407   8.469  -6.579
   84   2HH1  ARG  12          HH12      ARG  12  15.117  10.174  -6.670
   85   1HH2  ARG  12          HH21      ARG  12  13.095  10.249  -3.854
   86   2HH2  ARG  12          HH22      ARG  12  13.809  11.182  -5.126
   87    H    THR  13           HN       THR  13  17.234   4.767  -2.008
   88    HA   THR  13           HA       THR  13  16.663   7.099  -0.316
   89    HB   THR  13           HB       THR  13  19.247   6.611   0.177
   90    HG1  THR  13           HG1      THR  13  19.420   4.244  -0.038
   91   1HG2  THR  13          HG21      THR  13  18.345   5.923   2.116
   92   2HG2  THR  13          HG22      THR  13  17.768   4.436   1.363
   93   3HG2  THR  13          HG23      THR  13  16.773   5.891   1.319
   94    H    ALA  14           HN       ALA  14  17.824   9.080  -0.500
   95    HA   ALA  14           HA       ALA  14  18.395   9.929  -3.164
   96   1HB   ALA  14          HB1       ALA  14  18.023  11.889  -2.129
   97   2HB   ALA  14          HB2       ALA  14  19.631  11.756  -1.416
   98   3HB   ALA  14          HB3       ALA  14  18.227  11.132  -0.549
   99    H    ASP  15           HN       ASP  15  20.242   7.937  -1.393
  100    HA   ASP  15           HA       ASP  15  22.832   9.101  -2.230
  101   1HB   ASP  15          HB2       ASP  15  23.845   7.288  -0.919
  102   2HB   ASP  15          HB1       ASP  15  22.647   8.133   0.062
  103    H    GLY  16           HN       GLY  16  20.602   7.810  -3.919
  104   1HA   GLY  16          HA2       GLY  16  20.568   6.636  -5.921
  105   2HA   GLY  16          HA1       GLY  16  22.314   6.530  -5.790
  106    H    ARG  17           HN       ARG  17  19.896   5.375  -3.485
  107    HA   ARG  17           HA       ARG  17  20.413   2.557  -4.228
  108   1HB   ARG  17          HB2       ARG  17  21.161   3.683  -1.508
  109   2HB   ARG  17          HB1       ARG  17  21.115   1.966  -1.908
  110   1HG   ARG  17          HG2       ARG  17  22.826   3.983  -3.383
  111   2HG   ARG  17          HG1       ARG  17  23.411   2.975  -2.059
  112   1HD   ARG  17          HD2       ARG  17  23.420   1.056  -3.337
  113   2HD   ARG  17          HD1       ARG  17  21.980   1.529  -4.238
  114    HE   ARG  17           HE       ARG  17  23.381   2.586  -5.834
  115   1HH1  ARG  17          HH11      ARG  17  25.287   0.397  -4.616
  116   2HH1  ARG  17          HH12      ARG  17  26.754   1.315  -4.539
  117   1HH2  ARG  17          HH21      ARG  17  25.180   4.367  -5.018
  118   2HH2  ARG  17          HH22      ARG  17  26.693   3.564  -4.762
  119    H    CYS  18           HN       CYS  18  19.424   1.994  -1.343
  120    HA   CYS  18           HA       CYS  18  16.692   3.070  -1.460
  121   1HB   CYS  18          HB2       CYS  18  17.226   0.088  -1.637
  122   2HB   CYS  18          HB1       CYS  18  15.643   0.857  -1.530
  123    H    LYS  19           HN       LYS  19  15.761   3.089   0.584
  124    HA   LYS  19           HA       LYS  19  17.517   2.113   2.785
  125   1HB   LYS  19          HB2       LYS  19  17.161   4.191   3.589
  126   2HB   LYS  19          HB1       LYS  19  15.974   4.518   2.334
  127   1HG   LYS  19          HG2       LYS  19  14.289   3.245   3.757
  128   2HG   LYS  19          HG1       LYS  19  15.487   3.274   5.050
  129   1HD   LYS  19          HD2       LYS  19  14.397   5.723   3.634
  130   2HD   LYS  19          HD1       LYS  19  13.900   5.171   5.234
  131   1HE   LYS  19          HE2       LYS  19  16.582   5.227   5.587
  132   2HE   LYS  19          HE1       LYS  19  16.412   6.511   4.390
  133   1HZ   LYS  19          HZ1       LYS  19  14.489   7.263   5.926
  134   2HZ   LYS  19          HZ2       LYS  19  16.091   7.635   6.349
  135   3HZ   LYS  19          HZ3       LYS  19  15.289   6.341   7.102
  136    HA   PRO  20           HA       PRO  20  14.561  -0.906   3.966
  137   1HB   PRO  20          HB2       PRO  20  15.067  -1.008   6.669
  138   2HB   PRO  20          HB1       PRO  20  16.132  -1.720   5.443
  139   1HG   PRO  20          HG2       PRO  20  16.496   0.792   7.019
  140   2HG   PRO  20          HG1       PRO  20  17.721  -0.293   6.340
  141   1HD   PRO  20          HD2       PRO  20  16.945   2.172   5.231
  142   2HD   PRO  20          HD1       PRO  20  17.832   0.893   4.377
  143    H    THR  21           HN       THR  21  12.390  -0.883   4.545
  144    HA   THR  21           HA       THR  21  11.293   1.643   5.589
  145    HB   THR  21           HB       THR  21   9.850  -0.903   4.791
  146    HG1  THR  21           HG1      THR  21   9.637   0.059   2.814
  147   1HG2  THR  21          HG21      THR  21   8.376   1.529   4.419
  148   2HG2  THR  21          HG22      THR  21   8.982   1.479   6.074
  149   3HG2  THR  21          HG23      THR  21   7.988   0.159   5.458
  150    H    PHE  22           HN       PHE  22  12.714   0.770   7.630
  151    HA   PHE  22           HA       PHE  22  11.531  -1.192   9.337
  152   1HB   PHE  22          HB2       PHE  22  12.743   0.217  11.163
  153   2HB   PHE  22          HB1       PHE  22  13.723  -0.568   9.924
  154    HD1  PHE  22           HD1      PHE  22  15.243   0.723   8.672
  155    HD2  PHE  22           HD2      PHE  22  11.926   2.670  10.586
  156    HE1  PHE  22           HE1      PHE  22  16.131   2.929   7.968
  157    HE2  PHE  22           HE2      PHE  22  12.814   4.876   9.882
  158    HZ   PHE  22           HZ       PHE  22  14.916   5.005   8.573
  Start of MODEL   10
    1   1H    GLU   0          HT1       GLU   0  20.663  -7.032  -3.537
    2   2H    GLU   0          HT2       GLU   0  22.168  -6.457  -4.081
    3   3H    GLU   0          HT3       GLU   0  20.942  -6.825  -5.197
    4    HA   GLU   0           HA       GLU   0  21.473  -4.360  -4.231
    5   1HB   GLU   0          HB2       GLU   0  20.188  -4.805  -6.246
    6   2HB   GLU   0          HB1       GLU   0  18.887  -5.530  -5.300
    7   1HG   GLU   0          HG2       GLU   0  18.149  -3.314  -5.742
    8   2HG   GLU   0          HG1       GLU   0  18.740  -3.270  -4.081
    9    H    ASN   1           HN       ASN   1  21.531  -4.011  -2.000
   10    HA   ASN   1           HA       ASN   1  20.657  -3.573   0.133
   11   1HB   ASN   1          HB2       ASN   1  18.155  -3.501  -1.565
   12   2HB   ASN   1          HB1       ASN   1  18.115  -3.199   0.173
   13   1HD2  ASN   1          HD21      ASN   1  19.412  -1.954  -2.910
   14   2HD2  ASN   1          HD22      ASN   1  19.765  -0.401  -2.323
   15    H    PHE   2           HN       PHE   2  20.463  -5.031   1.778
   16    HA   PHE   2           HA       PHE   2  19.154  -7.638   1.151
   17   1HB   PHE   2          HB2       PHE   2  20.787  -7.173   3.627
   18   2HB   PHE   2          HB1       PHE   2  20.579  -8.652   2.690
   19    HD1  PHE   2           HD1      PHE   2  21.504  -8.598   0.230
   20    HD2  PHE   2           HD2      PHE   2  22.723  -5.891   3.335
   21    HE1  PHE   2           HE1      PHE   2  23.590  -8.101  -1.020
   22    HE2  PHE   2           HE2      PHE   2  24.805  -5.393   2.084
   23    HZ   PHE   2           HZ       PHE   2  25.239  -6.499  -0.092
   24    H    ALA   3           HN       ALA   3  18.838  -8.330   3.962
   25    HA   ALA   3           HA       ALA   3  17.179  -8.176   5.615
   26   1HB   ALA   3          HB1       ALA   3  16.747  -5.284   5.301
   27   2HB   ALA   3          HB2       ALA   3  18.441  -5.729   5.513
   28   3HB   ALA   3          HB3       ALA   3  17.246  -6.198   6.723
   29    H    GLY   4           HN       GLY   4  16.415  -8.443   2.731
   30   1HA   GLY   4          HA2       GLY   4  13.947  -8.914   2.352
   31   2HA   GLY   4          HA1       GLY   4  13.670  -7.264   2.912
   32    H    GLY   5           HN       GLY   5  15.979  -6.132   1.552
   33   1HA   GLY   5          HA2       GLY   5  16.756  -6.010  -0.817
   34   2HA   GLY   5          HA1       GLY   5  15.119  -6.463  -1.295
   35    H    CYS   6           HN       CYS   6  15.861  -4.267  -2.512
   36    HA   CYS   6           HA       CYS   6  15.389  -1.854  -0.935
   37   1HB   CYS   6          HB2       CYS   6  16.883  -1.605  -2.740
   38   2HB   CYS   6          HB1       CYS   6  15.796  -2.397  -3.874
   39    H    ALA   7           HN       ALA   7  13.552  -4.030  -2.917
   40    HA   ALA   7           HA       ALA   7  11.296  -2.386  -3.499
   41   1HB   ALA   7          HB1       ALA   7  10.112  -4.432  -3.930
   42   2HB   ALA   7          HB2       ALA   7  11.198  -5.350  -2.888
   43   3HB   ALA   7          HB3       ALA   7  11.782  -4.706  -4.422
   44    H    THR   8           HN       THR   8   9.380  -4.339  -2.095
   45    HA   THR   8           HA       THR   8   8.485  -2.737  -0.014
   46    HB   THR   8           HB       THR   8   8.412  -5.746  -0.309
   47    HG1  THR   8           HG1      THR   8   6.155  -4.158  -0.376
   48   1HG2  THR   8          HG21      THR   8   6.347  -5.054   1.395
   49   2HG2  THR   8          HG22      THR   8   7.688  -4.070   1.983
   50   3HG2  THR   8          HG23      THR   8   7.858  -5.822   1.881
   51    H    GLY   9           HN       GLY   9   9.195  -2.265   2.039
   52   1HA   GLY   9          HA2       GLY   9  10.223  -2.989   4.155
   53   2HA   GLY   9          HA1       GLY   9  11.312  -4.012   3.217
   54    H    TYR  10           HN       TYR  10  12.039  -2.100   1.231
   55    HA   TYR  10           HA       TYR  10  13.732  -0.310   2.901
   56   1HB   TYR  10          HB2       TYR  10  14.168  -1.846   0.428
   57   2HB   TYR  10          HB1       TYR  10  14.740  -0.189   0.335
   58    HD1  TYR  10           HD1      TYR  10  16.672   0.528   1.494
   59    HD2  TYR  10           HD2      TYR  10  14.939  -3.301   2.367
   60    HE1  TYR  10           HE1      TYR  10  18.656  -0.056   2.860
   61    HE2  TYR  10           HE2      TYR  10  16.924  -3.888   3.733
   62    HH   TYR  10           HH       TYR  10  19.801  -1.983   3.703
   63    H    LEU  11           HN       LEU  11  14.445   1.590   1.012
   64    HA   LEU  11           HA       LEU  11  11.925   2.776  -0.012
   65   1HB   LEU  11          HB2       LEU  11  12.887   3.545   2.439
   66   2HB   LEU  11          HB1       LEU  11  13.703   4.688   1.374
   67    HG   LEU  11           HG       LEU  11  11.617   5.701   1.978
   68   1HD1  LEU  11          HD11      LEU  11  10.401   5.717  -0.231
   69   2HD1  LEU  11          HD12      LEU  11  11.470   4.420  -0.766
   70   3HD1  LEU  11          HD13      LEU  11  12.137   6.002  -0.364
   71   1HD2  LEU  11          HD21      LEU  11   9.636   4.572   2.249
   72   2HD2  LEU  11          HD22      LEU  11  10.719   3.195   2.446
   73   3HD2  LEU  11          HD23      LEU  11   9.946   3.492   0.890
   74    H    ARG  12           HN       ARG  12  12.601   2.741  -2.139
   75    HA   ARG  12           HA       ARG  12  15.038   2.862  -3.314
   76   1HB   ARG  12          HB2       ARG  12  12.931   2.834  -4.592
   77   2HB   ARG  12          HB1       ARG  12  12.675   4.537  -4.205
   78   1HG   ARG  12          HG2       ARG  12  15.332   4.153  -5.270
   79   2HG   ARG  12          HG1       ARG  12  14.134   3.489  -6.381
   80   1HD   ARG  12          HD2       ARG  12  13.858   6.261  -5.164
   81   2HD   ARG  12          HD1       ARG  12  14.674   5.981  -6.701
   82    HE   ARG  12           HE       ARG  12  11.787   5.360  -6.219
   83   1HH1  ARG  12          HH11      ARG  12  13.458   7.626  -7.804
   84   2HH1  ARG  12          HH12      ARG  12  12.979   7.196  -9.411
   85   1HH2  ARG  12          HH21      ARG  12  11.599   4.157  -8.469
   86   2HH2  ARG  12          HH22      ARG  12  11.926   5.230  -9.788
   87    H    THR  13           HN       THR  13  16.773   4.051  -2.832
   88    HA   THR  13           HA       THR  13  16.414   6.927  -2.143
   89    HB   THR  13           HB       THR  13  18.803   6.713  -1.313
   90    HG1  THR  13           HG1      THR  13  19.477   4.529  -0.995
   91   1HG2  THR  13          HG21      THR  13  16.353   5.712  -0.183
   92   2HG2  THR  13          HG22      THR  13  17.712   6.479   0.638
   93   3HG2  THR  13          HG23      THR  13  17.704   4.733   0.387
   94    H    ALA  14           HN       ALA  14  17.108   8.442  -3.578
   95    HA   ALA  14           HA       ALA  14  18.043   7.669  -6.177
   96   1HB   ALA  14          HB1       ALA  14  16.697   9.727  -5.717
   97   2HB   ALA  14          HB2       ALA  14  18.152  10.043  -6.663
   98   3HB   ALA  14          HB3       ALA  14  18.118  10.429  -4.942
   99    H    ASP  15           HN       ASP  15  19.753   7.538  -3.448
  100    HA   ASP  15           HA       ASP  15  22.230   8.787  -4.365
  101   1HB   ASP  15          HB2       ASP  15  23.218   7.829  -2.354
  102   2HB   ASP  15          HB1       ASP  15  21.657   8.534  -1.930
  103    H    GLY  16           HN       GLY  16  20.565   6.158  -5.388
  104   1HA   GLY  16          HA2       GLY  16  21.375   4.680  -7.068
  105   2HA   GLY  16          HA1       GLY  16  22.981   4.899  -6.403
  106    H    ARG  17           HN       ARG  17  20.345   4.314  -4.223
  107    HA   ARG  17           HA       ARG  17  20.717   1.407  -4.147
  108   1HB   ARG  17          HB2       ARG  17  21.807   3.148  -1.907
  109   2HB   ARG  17          HB1       ARG  17  21.567   1.406  -1.779
  110   1HG   ARG  17          HG2       ARG  17  23.004   1.271  -3.939
  111   2HG   ARG  17          HG1       ARG  17  23.515   2.905  -3.510
  112   1HD   ARG  17          HD2       ARG  17  23.755   1.572  -1.092
  113   2HD   ARG  17          HD1       ARG  17  24.229   0.327  -2.247
  114    HE   ARG  17           HE       ARG  17  25.884   2.070  -3.131
  115   1HH1  ARG  17          HH21      ARG  17  25.520   1.139   0.045
  116   2HH1  ARG  17          HH22      ARG  17  26.450   2.431   0.729
  117   1HH2  ARG  17          HH11      ARG  17  26.703   4.179  -2.254
  118   2HH2  ARG  17          HH12      ARG  17  27.122   4.151  -0.574
  119    H    CYS  18           HN       CYS  18  19.901   1.446  -1.231
  120    HA   CYS  18           HA       CYS  18  17.242   2.739  -1.432
  121   1HB   CYS  18          HB2       CYS  18  17.577   0.046  -2.021
  122   2HB   CYS  18          HB1       CYS  18  17.068   0.032  -0.332
  123    H    LYS  19           HN       LYS  19  16.172   2.879   0.664
  124    HA   LYS  19           HA       LYS  19  18.125   2.736   2.932
  125   1HB   LYS  19          HB2       LYS  19  17.606   5.009   2.737
  126   2HB   LYS  19          HB1       LYS  19  15.954   4.689   2.215
  127   1HG   LYS  19          HG2       LYS  19  15.212   4.252   4.401
  128   2HG   LYS  19          HG1       LYS  19  16.841   3.930   4.993
  129   1HD   LYS  19          HD2       LYS  19  16.939   6.071   5.685
  130   2HD   LYS  19          HD1       LYS  19  16.910   6.562   3.991
  131   1HE   LYS  19          HE2       LYS  19  14.758   7.257   4.117
  132   2HE   LYS  19          HE1       LYS  19  14.263   5.831   5.029
  133   1HZ   LYS  19          HZ1       LYS  19  15.763   8.113   6.191
  134   2HZ   LYS  19          HZ2       LYS  19  15.091   6.797   7.030
  135   3HZ   LYS  19          HZ3       LYS  19  14.078   7.938   6.284
  136    HA   PRO  20           HA       PRO  20  15.332  -0.271   4.583
  137   1HB   PRO  20          HB2       PRO  20  16.452  -0.414   7.093
  138   2HB   PRO  20          HB1       PRO  20  17.141  -1.198   5.660
  139   1HG   PRO  20          HG2       PRO  20  18.053   1.271   7.072
  140   2HG   PRO  20          HG1       PRO  20  18.995   0.106   6.126
  141   1HD   PRO  20          HD2       PRO  20  18.140   2.633   5.218
  142   2HD   PRO  20          HD1       PRO  20  18.723   1.308   4.189
  143    H    THR  21           HN       THR  21  13.433  -0.220   5.820
  144    HA   THR  21           HA       THR  21  12.649   2.412   6.872
  145    HB   THR  21           HB       THR  21  10.951  -0.062   7.075
  146    HG1  THR  21           HG1      THR  21  11.432   1.490   4.751
  147   1HG2  THR  21          HG21      THR  21   9.404   1.975   6.151
  148   2HG2  THR  21          HG22      THR  21  10.622   2.879   7.052
  149   3HG2  THR  21          HG23      THR  21   9.659   1.643   7.865
  150    H    PHE  22           HN       PHE  22  14.668   1.589   8.469
  151    HA   PHE  22           HA       PHE  22  15.244   1.022  10.676
  152   1HB   PHE  22          HB2       PHE  22  12.377   1.762  11.296
  153   2HB   PHE  22          HB1       PHE  22  13.786   1.921  12.344
  154    HD1  PHE  22           HD1      PHE  22  11.608   3.765  10.348
  155    HD2  PHE  22           HD2      PHE  22  15.814   3.308  11.096
  156    HE1  PHE  22           HE1      PHE  22  12.014   6.049   9.468
  157    HE2  PHE  22           HE2      PHE  22  16.218   5.591  10.220
  158    HZ   PHE  22           HZ       PHE  22  14.320   6.962   9.406