*HEADER    ANTIMICROBIAL PROTEIN                   05-APR-16   5J6T              
*TITLE     NMR STRUCTURES OF HYLIN-A1 ANALOGS: HYLIN-AC                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYLIN-A1;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HY-A1;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HYPSIBOAS ALBOPUNCTATUS;                        
*SOURCE   4 ORGANISM_COMMON: SPOTTED TREE FROG;                                  
*SOURCE   5 ORGANISM_TAXID: 279985                                               
*KEYWDS    HYLIN-A1 ANALOGUES, ANTIMICROBIAL PEPTIDES, DPC, ANTIMICROBIAL        
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.CRUSCA JR.,C.O.MATOS,L.M.LIAO,A.L.OLIVEIRA                          
*REVDAT   1   12-APR-17 5J6T    0                                                
# Restraints file 1: noe-hyAc.tbl
!!aa1
assign (resid 1 and name HA#) (resid 2 and name HN) 4.000 2.2 0.0 ! 	 noesy.
assign (resid 1 and name HA#) (resid 3 and name HN) 4.000 2.2 0.0 ! 	 noesy.
!!aa2
assign (resid 2 and name HA) (resid 2 and name HB) 4.000 2.2 0.0 ! 	 noesy.132
assign (resid 2 and name HA) (resid 2 and name HG1#) 4.000 2.2 0.0 ! 	 noesy.141
assign (resid 2 and name HA) (resid 2 and name HG2#) 5.000 3.2 0.0 ! 	 noesy.154
assign (resid 2 and name HB) (resid 2 and name HG2#) 3.500 1.7 0.0 ! 	 noesy.202
assign (resid 2 and name HN) (resid 2 and name HA) 5.000 3.2 0.0 ! 	 noesy.0
assign (resid 2 and name HN) (resid 2 and name HB) 4.000 2.2 0.0 ! 	 noesy.67
assign (resid 2 and name HN) (resid 2 and name HG1#) 5.000 3.2 0.0 ! 	 noesy.68
assign (resid 2 and name HN) (resid 2 and name HG2#) 5.000 3.2 0.0 ! 	 noesy.103
assign (resid 2 and name HA) (resid 2 and name HD1#) 5.000 3.2 0.0 ! 	 noesy.146 carol
assign (resid 2 and name HN) (resid 2 and name HD1#) 5.000 3.2 0.0 ! 	 noesy.107 carol
!!aa3
assign (resid 3 and name HN) (resid 2 and name HA) 3.400 1.6 0.0 ! 	 noesy.17 
assign (resid 3 and name HN) (resid 2 and name HB) 5.00 3.2 0.0 ! 	 noesy.66 
assign (resid 3 and name HN) (resid 3 and name HA) 4.000 2.2 0.0 ! 	 noesy.1 
assign (resid 3 and name HE#) (resid 3 and name HA) 5.000 3.2 0.0 ! 	 noesy.44
assign (resid 3 and name HN) (resid 3 and name HB#) 5.000 3.2 0.0 ! 	 noesy.
assign (resid 3 and name HZ) (resid 3 and name HD#) 3.5 1.7  0.5 ! 	 noesy504.194 &
assign (resid 3 and name HD#) (resid 3 and name HB#) 3.5 1.7 0.5 ! 	 noesy504. &
!!aa4
assign (resid 4 and name HN) (resid 3 and name HA) 4.000 2.2 0.0 ! 	 noesy.18
assign (resid 4 and name HN) (resid 4 and name HA#) 3.500 1.7 0.0 ! 	 noesy.2
assign (resid 4 and name HA#) (resid 3 and name HB#) 5.000 3.2 0.0 ! 	 noesy.164
assign (resid 4 and name HN) (resid 3 and name HB#) 5.000 3.2 0.0 ! 	 noesy.48
assign (resid 4 and name HN) (resid 2 and name HA) 4.000 2.2 0.0 ! 	 noesy.18
!!aa5
assign (resid 5 and name HN) (resid 4 and name HA#) 3.400 1.6 0.0 ! 	 noesy.26
assign (resid 5 and name HN) (resid 3 and name HA) 4.500 2.7 0.0 ! 	 noesy.
assign (resid 5 and name HA) (resid 5 and name HB#) 4.000 2.2 0.0 ! 	 noesy.137
assign (resid 5 and name HN) (resid 5 and name HA) 3.500 1.7 0.0 ! 	 noesy.9
assign (resid 5 and name HN) (resid 5 and name HB#) 4.300 2.5 0.0 ! 	 noesy.97
assign (resid 5 and name HN) (resid 2 and name HA) 3.50 1.7 0.0 ! 	 noesy.97
assign (resid 5 and name HN) (resid 2 and name HB) 5.0 3.2 0.0 ! 	 noesy.95
assign (resid 5 and name HB#) (resid 2 and name HA) 5.0 3.2 0.5 ! 	 noesy.- ********
assign (resid 5 and name HN) (resid 3 and name HB#) 5.0 3.2 0.5 ! 	 noesy.**********
assign (resid 5 and name HN) (resid 3 and name HD#) 5.0 3.2 0.5 ! 	 noesy
!aa6
assign (resid 6 and name HN) (resid 5 and name HA) 3.500 1.7 0.0 ! 	 noesy.16
assign (resid 6 and name HN) (resid 4 and name HA#) 5.000 3.2 0.0 ! 	 noesy.
assign (resid 6 and name HN) (resid 3 and name HA)  3.500 1.7 0.0 ! 	 noesy.
assign (resid 6 and name HA) (resid 6 and name HG1#) 4.000 2.2 0.0 ! 	 noesy.150
assign (resid 6 and name HB) (resid 6 and name HG1#) 4.000 2.2 0.0 ! 	 noesy.203
assign (resid 6 and name HN) (resid 6 and name HA) 4.000 2.2 0.0 ! 	 noesy.16
assign (resid 6 and name HN) (resid 6 and name HB) 4.000 2.2 0.0 ! 	 noesy.92
assign (resid 6 and name HN) (resid 6 and name HG1#) 4.000 2.2 0.0 ! 	 noesy.125
assign (resid 6 and name HA) (resid 6 and name HB) 4.000 2.2 0.5 ! 	 noesy504.234
assign (resid 6 and name HN) (resid 5 and name HB#) 4.2 2.4 0.5 ! 	 noesy504.39**
!!aa7
assign (resid 7 and name HD#) (resid 6 and name HB) 5.000 3.2 0.0 ! 	 noesy.72
assign (resid 7 and name HN) (resid 6 and name HA) 3.500 1.7 0.0 ! 	 noesy.31
assign (resid 7 and name HN) (resid 6 and name HN) 4.000 2.2 0.0 ! 	 noesy.184
assign (resid 7 and name HN) (resid 7 and name HA) 3.400 1.6 0.0 ! 	 noesy.7
assign (resid 7 and name HN) (resid 7 and name HB#) 3.400 1.6 0.0 ! 	 noesy.49
assign (resid 7 and name HN) (resid 7 and name HD#) 5.000 3.2 0.0 ! 	 noesy.178
assign (resid 7 and name HN) (resid 7 and name HB#) 5.000 3.2 0.0 ! 	 noesy.50
assign (resid 7 and name HN) (resid 4 and name HA#) 4.500 2.7  0.0 ! 	 noesy.31
assign (resid 7 and name HN) (resid 3 and name HA) 4.500 2.7 0.0 ! 	 noesy.
assign (resid 7 and name HN) (resid 6 and name HG1#) 5.00 3.2 0.0 ! 	 noesy.
assign (resid 7 and name HZ#) (resid 10 and name HB#) 5.000 3.2 0.0 ! 	 noesy.74
assign (resid 7 and name HH2) (resid 11 and name HG#) 5.000 3.2 0.0 ! 	 noesy.110
!!aa8
!!assign (resid 8 and name HA) (resid 8 and name HB#) 5.000 3.2 0.0 ! 	 noesy.129
!!assign (resid 8 and name HB2) (resid 6 and name HB) 5.00 3.2 0.0 ! 	 noesy.193
!!aa9
assign (resid 9 and name HN) (resid 8 and name HA) 3.500 1.7 0.0 ! 	 noesy.38
assign (resid 9 and name HA) (resid 9 and name HB#) 3.400 1.6 0.0 ! 	 noesy.136
assign (resid 9 and name HA) (resid 9 and name HG) 5.000 3.2 0.0 ! 	 noesy.130
assign (resid 9 and name HN) (resid 9 and name HA) 3.400 1.6 0.0 ! 	 noesy.12
assign (resid 9 and name HN) (resid 9 and name HB#) 3.400 1.6 0.0 ! 	 noesy.69
assign (resid 9 and name HN) (resid 9 and name HG) 5.000 3.2 0.0 ! 	 noesy.70
assign (resid 9 and name HN) (resid 10 and name HB#) 5.000 3.2 0.0 ! 	 noesy.75
assign (resid 9 and name HG) (resid 9 and name HB#) 5.000 3.2 0.0 ! 	 noesy.
assign (resid 9 and name HN) (resid 6 and name HA) 3.500 1.7 0.0 ! 	 noesy.
!!aa10
assign (resid 10 and name HN) (resid 7 and name HA) 3.50 1.7 0.0 ! 	 noesy.19
assign (resid 10 and name HN) (resid 9 and name HA) 4.500 2.7 0.0 ! 	 noesy.29
assign (resid 10 and name HN) (resid 9 and name HB#) 5.000 3.2 0.0 ! 	 noesy.89
assign (resid 10 and name HN) (resid 9 and name HN) 4.500 2.7 0.0 ! 	 noesy.177
assign (resid 10 and name HA) (resid 10 and name HB#) 4.000 2.2 0.0 ! 	 noesy.139
assign (resid 10 and name HN) (resid 10 and name HA) 3.400 1.6 0.0 ! 	 noesy.5
assign (resid 10 and name HN) (resid 10 and name HB#) 3.400 1.6 0.0 ! 	 noesy.80
assign (resid 10 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 ! 	 noesy.19
!!aa11
assign (resid 11 and name HN) (resid 10 and name HA) 3.500 1.7 0.0 ! 	 noesy.27
assign (resid 11 and name HN) (resid 10 and name HN) 3.500 1.7 0.0 ! 	 noesy.218
assign (resid 11 and name HN) (resid 10 and name HB#) 4.000 2.2 0.0 ! 	 noesy.79
assign (resid 11 and name HA) (resid 11 and name HG) 5.000 3.2 0.0 ! 	 noesy.155
assign (resid 11 and name HN) (resid 11 and name HA) 3.400 1.6 0.0 ! 	 noesy.3   ok
assign (resid 11 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! 	 noesy.106 ok
assign (resid 11 and name HN) (resid 11 and name HG) 5.000 3.2 0.0 ! 	 noesy.104 ok
assign (resid 11 and name HA) (resid 10 and name HB#) 5.000 3.2 0.0 ! 	 noesy.140
assign (resid 11 and name HN) (resid 9 and name HA) 4.500 4.7 0.0 ! 	 noesy.
!!aa12
assign (resid 12 and name HN) (resid 9 and name HA) 3.400 1.6 0.0 ! 	 noesy.24
assign (resid 12 and name HN) (resid 10 and name HA) 5.000 3.2 0.0 ! 	 noesy.37
assign (resid 12 and name HN) (resid 11 and name HA) 3.500 1.7 0.0 ! 	 noesy.36
assign (resid 12 and name HN) (resid 11 and name HG) 5.000 3.2 0.0 ! 	 noesy.121 ok
assign (resid 12 and name HN) (resid 12 and name HA#) 4.400 2.6 0.0 ! 	 noesy.13
assign (resid 12 and name HN) (resid 11 and name HB#) 5.000 3.2 0.0 ! 	 noesy.
!!aa13
assign (resid 13 and name HA) (resid 13 and name HB#) 4.000 2.2 0.0 ! 	 noesy.138
assign (resid 13 and name HN) (resid 13 and name HA) 3.000 1.2 0.0 ! 	 noesy.10
assign (resid 13 and name HN) (resid 13 and name HB#) 3.500 1.7 0.0 ! 	 noesy.96
assign (resid 13 and name HN) (resid 10 and name HA) 3.700 1.9 0.0 ! 	 noesy. ok
assign (resid 13 and name HN) (resid 11 and name HA) 4.500 2.7 0.0 ! 	 noesy. ok
assign (resid 13 and name HN) (resid 9 and name HA) 4.500 2.7 0.0 ! 	 noesy.
assign (resid 13 and name HN) (resid 12 and name HA#) 3.500 1.7 0.0 ! 	 noesy.
!!aa14
assign (resid 14 and name HN) (resid 13 and name HA) 3.500 1.7  0.0 ! 	 noesy.20
assign (resid 14 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! 	 noesy.82
assign (resid 14 and name HN) (resid 13 and name HN) 4.200 2.4  0.0 ! 	 noesy.182
assign (resid 14 and name HA) (resid 14 and name HG) 4.00 2.2 0.0 ! 	 noesy.149
assign (resid 14 and name HB1) (resid 14 and name HG) 3.000 1.2 0.0 ! 	 noesy.208
assign (resid 14 and name HN) (resid 14 and name HA) 3.400 1.6 0.0 ! 	 noesy.6
assign (resid 14 and name HN) (resid 14 and name HG) 5.000 3.2 0.0 ! 	 noesy.105
assign (resid 14 and name HA) (resid 17 and name HD2#) 5.000 3.2 0.0 ! 	 noesy.153 ALINE
!!aa15
assign (resid 15 and name HN) (resid 12 and name HA#) 4.000 2.2  0.0 ! 	 noesy.28
!!assign (resid 15 and name HN) (resid 13 and name HB#) 5.000 3.2 0.0 ! 	 noesy.81 	ok
assign (resid 15 and name HE#) (resid 14 and name HB#) 5.000 3.2 0.0 ! 	 noesy.160
assign (resid 15 and name HN) (resid 14 and name HA) 4.500 2.7 0.0 ! 	 noesy.30
assign (resid 15 and name HN) (resid 13 and name HA) 5.00 3.2 0.0 ! 	 noesy.30
assign (resid 15 and name HA) (resid 15 and name HB#) 3.400 1.6 0.0 ! 	 noesy.133
assign (resid 15 and name HE#) (resid 15 and name HB#) 3.400 1.6 0.0 ! 	 noesy.161
assign (resid 15 and name HE#) (resid 15 and name HD#) 3.400 1.6 0.0 ! 	 noesy.158
assign (resid 15 and name HA) (resid 15 and name HG#) 5.000 3.2 0.0 ! 	 noesy.144
assign (resid 15 and name HN) (resid 15 and name HA) 3.000 1.2 0.0 ! 	 noesy.4
assign (resid 15 and name HN) (resid 15 and name HB#) 5.000 3.2 0.0 ! 	 noesy.85
assign (resid 15 and name HN) (resid 15 and name HD#) 5.000 3.2 0.0 ! 	 noesy.84
assign (resid 15 and name HN) (resid 14 and name HN) 3.400 1.6 0.0 ! 	 noesy.210 ###
assign (resid 15 and name HN) (resid 13 and name HN) 4.500 2.7 0.0 ! 	 noesy.183
assign (resid 15 and name HN) (resid 14 and name HG) 3.400 1.6 0.0 ! 	 noesy.
!!aa16
assign (resid 16 and name HN) (resid 13 and name HA) 3.80 2.0 0.0 ! 	 noesy.22
assign (resid 16 and name HN) (resid 16 and name HA) 3.500 1.7 0.0 ! 	 noesy.8
assign (resid 16 and name HN) (resid 16 and name HB#) 3.400 1.6 0.0 ! 	 noesy.56
assign (resid 16 and name HN) (resid 15 and name HB#) 5.000 3.2 0.0 ! 	 noesy.94  	ok
assign (resid 16 and name HN) (resid 12 and name HA#) 4.500 2.7 0.0 ! 	 noesy.
!!aa17
assign (resid 17 and name HA) (resid 17 and name HB#) 3.400 1.6 0.0 ! 	 noesy.135
assign (resid 17 and name HB#) (resid 17 and name HD2#) 5.000 3.2 0.0 !  noesy.206 
assign (resid 17 and name HN) (resid 17 and name HA) 3.500 1.7 0.0 ! 	 noesy.14
assign (resid 17 and name HA) (resid 17 and name HD2#) 5.000 3.2 0.0 ! 	 noesy.145
assign (resid 17 and name HN) (resid 14 and name HA) 3.500 1.7 0.0 ! 	 noesy.14
assign (resid 17 and name HN) (resid 17 and name HG) 4.500 2.7 0.0 ! 	 noesy.
assign (resid 17 and name HN) (resid 16 and name HN) 4.000 2.2 0.0 ! 	 noesy.
assign (resid 17 and name HA) (resid 17 and name HG) 4.000 2.2 0.5 ! 	 noesy.
assign (resid 17 and name HB#) (resid 17 and name HG) 3.400 1.6 0.5 ! 	 noesy.
assign (resid 17 and name HN) (resid 17 and name HB#) 3.400 1.6 0.5 ! 	 noesy.
!!aa18
assign (resid 18 and name HN) (resid 14 and name HA) 4.500 2.7 0.0 ! 	 noesy.33
assign (resid 18 and name HN) (resid 16 and name HA) 4.500 2.7 0.0 ! 	 noesy.25
assign (resid 18 and name HN) (resid 15 and name HA) 3.500 1.7 0.0 !
assign (resid 18 and name HN) (resid 17 and name HA) 3.500 1.7 0.0 ! 	 noesy.34
assign (resid 18 and name HN) (resid 17 and name HN) 4.000 2.2 0.0 ! 	 noesy.173 parei aqui
assign (resid 18 and name HN) (resid 18 and name HA) 3.400 1.6 0.0 ! 	 noesy.15
assign (resid 18 and name HN) (resid 16 and name HB2) 5.000 3.2 0.0 ! 	 noesy.52 CAROL
assign (resid 18 and name HA) (resid 18 and name HG1#) 5.000 3.2 0.0 ! 	 noesy.151 CAROL
assign (resid 18 and name HN) (resid 17 and name HD2#) 5.000 3.2 0.0 ! 	 noesy.126 CAROL
assign (resid 18 and name HN) (resid 18 and name HB) 3.500 1.7 0.0 ! 	 noesy.91 CAROL
!!aa19
assign (resid 19 and name HN) (resid 15 and name HA) 5.000 3.2 0.0 ! 	 noesy.23
assign (resid 19 and name HN) (resid 18 and name HA) 3.600 1.8 0.0 ! 	 noesy.
assign (resid 19 and name HN) (resid 18 and name HD1#) 5.000 3.2 0.0 ! 	 noesy.124
assign (resid 19 and name HN) (resid 18 and name HG1#) 5.000 3.2 0.0 ! 	 noesy.98
!assign (resid 19 and name HE#) (resid 19 and name HD#) 5.000 3.2 0.0 ! 	 noesy.159
!assign (resid 19 and name HE#) (resid 19 and name HG#) 5.000 3.2 0.0 ! 	 noesy.162
assign (resid 19 and name HN) (resid 19 and name HA) 3.000 1.2 0.0 ! 	 noesy.11
assign (resid 19 and name HN) (resid 19 and name HD#) 5.000 3.2 0.0 ! 	 noesy.93
assign (resid 19 and name HN) (resid 19 and name HG#) 5.000 3.2 0.0 ! 	 noesy.101
assign (resid 19 and name HE#) (resid 19 and name HG#) 3.400 1.6 0.0 ! 	 noesy.157
assign (resid 19 and name HN) (resid 16 and name HA) 3.500 1.7  0.0 ! 	 noesy.
assign (resid 19 and name HB#) (resid 18 and name HG1#) 5.000 3.2 0.0 ! noesy.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1          HH31      ACE   1  -1.876  -1.967   2.609
    2    H2   ACE   1          HH32      ACE   1  -1.427  -2.643   1.026
    3    H3   ACE   1          HH33      ACE   1  -1.117  -0.927   1.380
    4    H    ILE   2           H        ILE   2   1.076  -2.071   0.534
    5    HA   ILE   2           HA       ILE   2   2.585  -2.950   3.020
    6    HB   ILE   2           HB       ILE   2   4.075  -4.095   1.348
    7   HG12  ILE   2          HG12      ILE   2   2.051  -3.730  -0.817
    8   HG13  ILE   2          HG13      ILE   2   3.072  -2.316  -0.461
    9   HG21  ILE   2          HG21      ILE   2   2.163  -5.303   2.367
   10   HG22  ILE   2          HG22      ILE   2   1.104  -4.726   1.058
   11   HG23  ILE   2          HG23      ILE   2   2.443  -5.840   0.693
   12   HD11  ILE   2          HD11      ILE   2   4.116  -3.755  -2.190
   13   HD12  ILE   2          HD12      ILE   2   4.080  -5.133  -1.064
   14   HD13  ILE   2          HD13      ILE   2   5.102  -3.719  -0.708
   15    H    PHE   3           H        PHE   3   2.020  -0.147   1.964
   16    HA   PHE   3           HA       PHE   3   4.292   0.988   0.649
   17    HB2  PHE   3           HB3      PHE   3   2.120   2.103   1.151
   18    HB3  PHE   3           HB2      PHE   3   2.530   2.110   2.883
   19    HD1  PHE   3           HD1      PHE   3   4.394   2.928  -0.289
   20    HD2  PHE   3           HD2      PHE   3   3.171   4.219   3.622
   21    HE1  PHE   3           HE1      PHE   3   5.649   5.046  -0.594
   22    HE2  PHE   3           HE2      PHE   3   4.426   6.335   3.316
   23    HZ   PHE   3           HZ       PHE   3   5.666   6.749   1.209
   24    H    GLY   4           H        GLY   4   3.739   0.381   4.147
   25    HA2  GLY   4           HA3      GLY   4   6.185   1.605   5.063
   26    HA3  GLY   4           HA2      GLY   4   5.287   0.338   5.931
   27    H    ALA   5           H        ALA   5   5.607  -1.342   3.316
   28    HA   ALA   5           HA       ALA   5   8.216  -2.544   4.176
   29    HB1  ALA   5           HB1      ALA   5   7.409  -4.398   2.706
   30    HB2  ALA   5           HB2      ALA   5   6.047  -3.376   2.185
   31    HB3  ALA   5           HB3      ALA   5   6.163  -3.910   3.880
   32    H    ILE   6           H        ILE   6   6.972  -0.453   1.696
   33    HA   ILE   6           HA       ILE   6   9.037  -1.212  -0.314
   34    HB   ILE   6           HB       ILE   6   7.030   1.085  -0.098
   35   HG12  ILE   6          HG12      ILE   6   5.985  -1.164  -0.139
   36   HG13  ILE   6          HG13      ILE   6   5.682  -0.292  -1.660
   37   HG21  ILE   6          HG21      ILE   6   8.467   1.872  -1.739
   38   HG22  ILE   6          HG22      ILE   6   9.016   0.240  -2.190
   39   HG23  ILE   6          HG23      ILE   6   7.427   0.827  -2.737
   40   HD11  ILE   6          HD11      ILE   6   6.378  -2.330  -2.524
   41   HD12  ILE   6          HD12      ILE   6   7.429  -2.682  -1.132
   42   HD13  ILE   6          HD13      ILE   6   7.959  -1.525  -2.377
   43    H    TRP   7           H        TRP   7   8.502   1.295   2.156
   44    HA   TRP   7           HA       TRP   7  10.617   3.085   1.284
   45    HB2  TRP   7           HB3      TRP   7   8.665   2.844   3.347
   46    HB3  TRP   7           HB2      TRP   7  10.234   3.024   4.170
   47    HD1  TRP   7           HD1      TRP   7   7.575   5.077   2.872
   48    HE1  TRP   7           HE1      TRP   7   8.345   7.471   2.303
   49    HE3  TRP   7           HE3      TRP   7  12.625   4.330   2.892
   50    HZ2  TRP   7           HZ2      TRP   7  10.843   8.864   1.909
   51    HZ3  TRP   7           HZ3      TRP   7  14.177   6.202   2.415
   52    HH2  TRP   7           HH2      TRP   7  13.292   8.466   1.925
   53    HA   PRO   8           HA       PRO   8  13.276   0.694   4.648
   54    HB2  PRO   8           HB2      PRO   8  12.033  -2.012   4.361
   55    HB3  PRO   8           HB3      PRO   8  12.603  -1.172   5.831
   56    HG2  PRO   8           HG2      PRO   8   9.978  -1.484   5.227
   57    HG3  PRO   8           HG3      PRO   8  10.616  -0.099   6.152
   58    HD2  PRO   8           HD3      PRO   8   9.632  -0.222   3.349
   59    HD3  PRO   8           HD2      PRO   8   9.655   1.153   4.493
   60    H    LEU   9           H        LEU   9  11.834  -0.705   1.731
   61    HA   LEU   9           HA       LEU   9  14.313  -2.166   0.984
   62    HB2  LEU   9           HB2      LEU   9  11.945  -2.857   0.441
   63    HB3  LEU   9           HB3      LEU   9  11.813  -1.429  -0.615
   64    HG   LEU   9           HG       LEU   9  14.013  -2.367  -1.712
   65   HD11  LEU   9          HD11      LEU   9  14.391  -4.118   0.002
   66   HD12  LEU   9          HD12      LEU   9  14.151  -4.839  -1.607
   67   HD13  LEU   9          HD13      LEU   9  12.829  -4.862  -0.415
   68   HD21  LEU   9          HD21      LEU   9  11.804  -2.223  -2.829
   69   HD22  LEU   9          HD22      LEU   9  11.319  -3.757  -2.067
   70   HD23  LEU   9          HD23      LEU   9  12.641  -3.734  -3.259
   71    H    ALA  10           H        ALA  10  12.829   0.989   0.386
   72    HA   ALA  10           HA       ALA  10  14.315   1.712  -1.990
   73    HB1  ALA  10           HB1      ALA  10  13.698   4.020  -1.252
   74    HB2  ALA  10           HB2      ALA  10  12.328   2.896  -1.079
   75    HB3  ALA  10           HB3      ALA  10  13.269   3.380   0.353
   76    H    LEU  11           H        LEU  11  15.112   1.797   1.474
   77    HA   LEU  11           HA       LEU  11  17.570   3.377   1.127
   78    HB2  LEU  11           HB2      LEU  11  16.158   1.766   3.242
   79    HB3  LEU  11           HB3      LEU  11  17.882   2.127   3.498
   80    HG   LEU  11           HG       LEU  11  15.794   4.234   2.798
   81   HD11  LEU  11          HD11      LEU  11  15.313   3.215   5.008
   82   HD12  LEU  11          HD12      LEU  11  15.925   4.876   5.189
   83   HD13  LEU  11          HD13      LEU  11  17.000   3.492   5.503
   84   HD21  LEU  11          HD21      LEU  11  17.576   5.787   3.552
   85   HD22  LEU  11          HD22      LEU  11  18.138   4.776   2.199
   86   HD23  LEU  11          HD23      LEU  11  18.650   4.402   3.863
   87    H    GLY  12           H        GLY  12  16.717  -0.054   0.984
   88    HA2  GLY  12           HA3      GLY  12  19.509  -0.981   1.154
   89    HA3  GLY  12           HA2      GLY  12  18.103  -1.961   0.672
   90    H    ALA  13           H        ALA  13  17.259  -0.035  -1.412
   91    HA   ALA  13           HA       ALA  13  18.656  -1.143  -3.670
   92    HB1  ALA  13           HB1      ALA  13  17.448   0.675  -4.887
   93    HB2  ALA  13           HB2      ALA  13  16.396  -0.111  -3.685
   94    HB3  ALA  13           HB3      ALA  13  17.115   1.479  -3.334
   95    H    LEU  14           H        LEU  14  19.319   1.685  -1.650
   96    HA   LEU  14           HA       LEU  14  21.296   2.844  -3.521
   97    HB2  LEU  14           HB3      LEU  14  19.981   4.180  -1.910
   98    HB3  LEU  14           HB2      LEU  14  20.668   3.254  -0.556
   99    HG   LEU  14           HG       LEU  14  22.972   4.021  -1.367
  100   HD11  LEU  14          HD11      LEU  14  22.267   4.676  -3.651
  101   HD12  LEU  14          HD12      LEU  14  21.228   5.948  -2.964
  102   HD13  LEU  14          HD13      LEU  14  22.996   6.051  -2.787
  103   HD21  LEU  14          HD21      LEU  14  21.821   5.021   0.590
  104   HD22  LEU  14          HD22      LEU  14  22.737   6.252  -0.312
  105   HD23  LEU  14          HD23      LEU  14  20.969   6.150  -0.490
  106    H    LYS  15           H        LYS  15  21.480   1.106  -0.364
  107    HA   LYS  15           HA       LYS  15  24.343   0.992  -0.192
  108    HB2  LYS  15           HB3      LYS  15  22.080   0.092   1.204
  109    HB3  LYS  15           HB2      LYS  15  22.915  -1.412   0.750
  110    HG2  LYS  15           HG2      LYS  15  24.580  -1.037   2.243
  111    HG3  LYS  15           HG3      LYS  15  24.796   0.638   1.681
  112    HD2  LYS  15           HD3      LYS  15  22.569  -0.282   3.552
  113    HD3  LYS  15           HD2      LYS  15  24.080   0.490   4.088
  114    HE2  LYS  15           HE3      LYS  15  22.652   1.941   1.916
  115    HE3  LYS  15           HE2      LYS  15  21.790   1.891   3.481
  116    HZ1  LYS  15           HZ1      LYS  15  23.400   3.703   3.402
  117    HZ2  LYS  15           HZ2      LYS  15  23.841   2.597   4.544
  118    HZ3  LYS  15           HZ3      LYS  15  24.628   2.645   3.095
  119    H    ASN  16           H        ASN  16  22.056  -0.882  -2.128
  120    HA   ASN  16           HA       ASN  16  23.914  -3.068  -2.763
  121    HB2  ASN  16           HB3      ASN  16  21.324  -1.931  -3.883
  122    HB3  ASN  16           HB2      ASN  16  22.145  -3.299  -4.672
  123   HD21  ASN  16          HD21      ASN  16  23.033  -4.892  -2.632
  124   HD22  ASN  16          HD22      ASN  16  21.709  -5.381  -1.599
  125    H    LEU  17           H        LEU  17  23.067   0.067  -4.256
  126    HA   LEU  17           HA       LEU  17  24.613  -0.393  -6.705
  127    HB2  LEU  17           HB3      LEU  17  22.718   1.211  -6.434
  128    HB3  LEU  17           HB2      LEU  17  23.694   2.157  -5.286
  129    HG   LEU  17           HG       LEU  17  25.459   2.234  -7.221
  130   HD11  LEU  17          HD11      LEU  17  24.316   0.561  -8.652
  131   HD12  LEU  17          HD12      LEU  17  24.432   2.134  -9.476
  132   HD13  LEU  17          HD13      LEU  17  22.890   1.621  -8.751
  133   HD21  LEU  17          HD21      LEU  17  24.351   4.249  -8.153
  134   HD22  LEU  17          HD22      LEU  17  24.178   4.185  -6.382
  135   HD23  LEU  17          HD23      LEU  17  22.808   3.736  -7.427
  136    H    ILE  18           H        ILE  18  25.273   1.130  -3.544
  137    HA   ILE  18           HA       ILE  18  28.022   1.909  -4.418
  138    HB   ILE  18           HB       ILE  18  28.076   2.858  -2.109
  139   HG12  ILE  18          HG13      ILE  18  25.372   2.509  -1.294
  140   HG13  ILE  18          HG12      ILE  18  25.971   0.890  -1.727
  141   HG21  ILE  18          HG21      ILE  18  26.196   4.449  -2.396
  142   HG22  ILE  18          HG22      ILE  18  25.462   3.363  -3.600
  143   HG23  ILE  18          HG23      ILE  18  27.023   4.147  -3.942
  144   HD11  ILE  18          HD11      ILE  18  26.437   1.404   0.654
  145   HD12  ILE  18          HD12      ILE  18  27.349   2.851   0.163
  146   HD13  ILE  18          HD13      ILE  18  27.948   1.232  -0.270
  147    H    LYS  19           H        LYS  19  26.407  -0.725  -2.755
  148    HA   LYS  19           HA       LYS  19  28.925  -2.260  -2.653
  149    HB2  LYS  19           HB3      LYS  19  28.857  -0.526  -0.681
  150    HB3  LYS  19           HB2      LYS  19  27.634  -1.613   0.019
  151    HG2  LYS  19           HG2      LYS  19  30.144  -2.879  -1.017
  152    HG3  LYS  19           HG3      LYS  19  30.280  -1.923   0.479
  153    HD2  LYS  19           HD2      LYS  19  28.182  -3.252   1.267
  154    HD3  LYS  19           HD3      LYS  19  28.571  -4.373  -0.060
  155    HE2  LYS  19           HE3      LYS  19  30.381  -5.229   1.054
  156    HE3  LYS  19           HE2      LYS  19  30.907  -3.619   1.627
  157    HZ1  LYS  19           HZ1      LYS  19  30.047  -4.979   3.442
  158    HZ2  LYS  19           HZ2      LYS  19  28.600  -5.156   2.671
  159    HZ3  LYS  19           HZ3      LYS  19  29.075  -3.668   3.202
  160    HN1  NH2  20           H1       NH2  20  27.351  -3.661  -3.906
  161    HN2  NH2  20           H2       NH2  20  26.188  -4.620  -3.020
  Start of MODEL    2
    1    H1   ACE   1          HH31      ACE   1  -2.245  -1.629   3.648
    2    H2   ACE   1          HH32      ACE   1  -1.906  -1.855   1.916
    3    H3   ACE   1          HH33      ACE   1  -1.490  -0.318   2.711
    4    H    ILE   2           H        ILE   2   0.599  -1.263   1.455
    5    HA   ILE   2           HA       ILE   2   2.264  -2.541   3.639
    6    HB   ILE   2           HB       ILE   2   3.312  -3.929   1.818
    7   HG12  ILE   2          HG13      ILE   2   1.002  -3.288   0.008
    8   HG13  ILE   2          HG12      ILE   2   2.340  -2.116   0.076
    9   HG21  ILE   2          HG21      ILE   2   1.459  -4.835   3.193
   10   HG22  ILE   2          HG22      ILE   2   1.389  -5.463   1.529
   11   HG23  ILE   2          HG23      ILE   2   0.278  -4.169   2.040
   12   HD11  ILE   2          HD11      ILE   2   2.722  -3.801  -1.703
   13   HD12  ILE   2          HD12      ILE   2   3.954  -3.930  -0.425
   14   HD13  ILE   2          HD13      ILE   2   2.617  -5.102  -0.493
   15    H    PHE   3           H        PHE   3   1.908   0.277   2.500
   16    HA   PHE   3           HA       PHE   3   4.192   0.956   0.860
   17    HB2  PHE   3           HB2      PHE   3   2.167   2.359   1.348
   18    HB3  PHE   3           HB3      PHE   3   2.745   2.567   3.019
   19    HD1  PHE   3           HD1      PHE   3   4.127   2.821  -0.477
   20    HD2  PHE   3           HD2      PHE   3   3.916   4.525   3.460
   21    HE1  PHE   3           HE1      PHE   3   5.571   4.696  -1.214
   22    HE2  PHE   3           HE2      PHE   3   5.361   6.402   2.723
   23    HZ   PHE   3           HZ       PHE   3   6.185   6.491   0.386
   24    H    GLY   4           H        GLY   4   3.775   0.673   4.402
   25    HA2  GLY   4           HA2      GLY   4   6.329   1.782   5.145
   26    HA3  GLY   4           HA3      GLY   4   5.402   0.612   6.114
   27    H    ALA   5           H        ALA   5   5.486  -1.216   3.599
   28    HA   ALA   5           HA       ALA   5   8.051  -2.544   4.384
   29    HB1  ALA   5           HB1      ALA   5   7.081  -4.378   2.989
   30    HB2  ALA   5           HB2      ALA   5   5.906  -3.780   4.184
   31    HB3  ALA   5           HB3      ALA   5   5.773  -3.283   2.480
   32    H    ILE   6           H        ILE   6   6.814  -0.491   1.850
   33    HA   ILE   6           HA       ILE   6   8.788  -1.394  -0.181
   34    HB   ILE   6           HB       ILE   6   6.925   1.023   0.025
   35   HG12  ILE   6          HG13      ILE   6   5.730  -1.144   0.118
   36   HG13  ILE   6          HG12      ILE   6   5.433  -0.323  -1.432
   37   HG21  ILE   6          HG21      ILE   6   8.337   1.650  -1.703
   38   HG22  ILE   6          HG22      ILE   6   8.764  -0.031  -2.106
   39   HG23  ILE   6          HG23      ILE   6   7.194   0.635  -2.615
   40   HD11  ILE   6          HD11      ILE   6   5.954  -2.441  -2.219
   41   HD12  ILE   6          HD12      ILE   6   7.588  -1.739  -2.170
   42   HD13  ILE   6          HD13      ILE   6   7.035  -2.799  -0.851
   43    H    TRP   7           H        TRP   7   8.459   1.223   2.215
   44    HA   TRP   7           HA       TRP   7  10.608   2.894   1.241
   45    HB2  TRP   7           HB2      TRP   7   8.762   2.769   3.387
   46    HB3  TRP   7           HB3      TRP   7  10.367   2.817   4.154
   47    HD1  TRP   7           HD1      TRP   7   7.819   5.057   2.850
   48    HE1  TRP   7           HE1      TRP   7   8.752   7.408   2.341
   49    HE3  TRP   7           HE3      TRP   7  12.813   4.001   2.995
   50    HZ2  TRP   7           HZ2      TRP   7  11.338   8.649   2.034
   51    HZ3  TRP   7           HZ3      TRP   7  14.489   5.782   2.589
   52    HH2  TRP   7           HH2      TRP   7  13.758   8.102   2.112
   53    HA   PRO   8           HA       PRO   8  13.347   0.398   4.490
   54    HB2  PRO   8           HB2      PRO   8  11.988  -2.256   4.178
   55    HB3  PRO   8           HB3      PRO   8  12.683  -1.497   5.639
   56    HG2  PRO   8           HG2      PRO   8  10.016  -1.665   5.194
   57    HG3  PRO   8           HG3      PRO   8  10.773  -0.336   6.111
   58    HD2  PRO   8           HD2      PRO   8   9.592  -0.325   3.383
   59    HD3  PRO   8           HD3      PRO   8   9.795   1.011   4.555
   60    H    LEU   9           H        LEU   9  11.736  -0.990   1.642
   61    HA   LEU   9           HA       LEU   9  14.126  -2.474   0.741
   62    HB2  LEU   9           HB2      LEU   9  11.428  -1.657  -0.408
   63    HB3  LEU   9           HB3      LEU   9  12.631  -2.519  -1.397
   64    HG   LEU   9           HG       LEU   9  11.904  -3.572   1.342
   65   HD11  LEU   9          HD11      LEU   9  10.442  -4.622  -1.055
   66   HD12  LEU   9          HD12      LEU   9   9.883  -3.073  -0.381
   67   HD13  LEU   9          HD13      LEU   9   9.922  -4.527   0.645
   68   HD21  LEU   9          HD21      LEU   9  12.495  -5.717   0.244
   69   HD22  LEU   9          HD22      LEU   9  13.816  -4.534   0.091
   70   HD23  LEU   9          HD23      LEU   9  12.748  -4.859  -1.295
   71    H    ALA  10           H        ALA  10  12.829   0.783   0.362
   72    HA   ALA  10           HA       ALA  10  14.326   1.505  -2.038
   73    HB1  ALA  10           HB1      ALA  10  13.335   3.570  -1.638
   74    HB2  ALA  10           HB2      ALA  10  13.666   3.503   0.110
   75    HB3  ALA  10           HB3      ALA  10  12.313   2.572  -0.576
   76    H    LEU  11           H        LEU  11  15.101   1.394   1.416
   77    HA   LEU  11           HA       LEU  11  17.553   3.021   1.162
   78    HB2  LEU  11           HB2      LEU  11  16.039   1.439   3.197
   79    HB3  LEU  11           HB3      LEU  11  17.788   1.593   3.491
   80    HG   LEU  11           HG       LEU  11  16.025   3.980   2.815
   81   HD11  LEU  11          HD11      LEU  11  15.192   2.912   4.894
   82   HD12  LEU  11          HD12      LEU  11  16.001   4.457   5.249
   83   HD13  LEU  11          HD13      LEU  11  16.843   2.920   5.559
   84   HD21  LEU  11          HD21      LEU  11  17.914   5.221   3.836
   85   HD22  LEU  11          HD22      LEU  11  18.756   3.684   4.147
   86   HD23  LEU  11          HD23      LEU  11  18.471   4.219   2.474
   87    H    GLY  12           H        GLY  12  16.692  -0.369   0.756
   88    HA2  GLY  12           HA2      GLY  12  19.482  -1.319   1.014
   89    HA3  GLY  12           HA3      GLY  12  18.089  -2.279   0.462
   90    H    ALA  13           H        ALA  13  17.278  -0.343  -1.599
   91    HA   ALA  13           HA       ALA  13  18.818  -1.355  -3.821
   92    HB1  ALA  13           HB1      ALA  13  17.545   0.400  -5.062
   93    HB2  ALA  13           HB2      ALA  13  17.103   1.159  -3.514
   94    HB3  ALA  13           HB3      ALA  13  16.499  -0.468  -3.912
   95    H    LEU  14           H        LEU  14  19.157   1.550  -1.808
   96    HA   LEU  14           HA       LEU  14  21.185   2.789  -3.567
   97    HB2  LEU  14           HB3      LEU  14  19.661   4.064  -2.088
   98    HB3  LEU  14           HB2      LEU  14  20.326   3.231  -0.663
   99    HG   LEU  14           HG       LEU  14  22.617   4.147  -1.372
  100   HD11  LEU  14          HD11      LEU  14  21.986   4.705  -3.704
  101   HD12  LEU  14          HD12      LEU  14  22.563   6.147  -2.834
  102   HD13  LEU  14          HD13      LEU  14  20.819   5.906  -3.100
  103   HD21  LEU  14          HD21      LEU  14  21.292   5.090   0.500
  104   HD22  LEU  14          HD22      LEU  14  20.414   6.130  -0.647
  105   HD23  LEU  14          HD23      LEU  14  22.157   6.372  -0.381
  106    H    LYS  15           H        LYS  15  21.244   1.161  -0.350
  107    HA   LYS  15           HA       LYS  15  24.077   1.234   0.059
  108    HB2  LYS  15           HB2      LYS  15  21.780   0.212   1.278
  109    HB3  LYS  15           HB3      LYS  15  22.712  -1.255   0.895
  110    HG2  LYS  15           HG2      LYS  15  23.902  -0.822   2.776
  111    HG3  LYS  15           HG3      LYS  15  24.644   0.518   1.869
  112    HD2  LYS  15           HD3      LYS  15  22.016   0.806   3.379
  113    HD3  LYS  15           HD2      LYS  15  23.597   1.146   4.122
  114    HE2  LYS  15           HE2      LYS  15  24.031   2.726   2.125
  115    HE3  LYS  15           HE3      LYS  15  22.290   2.554   1.758
  116    HZ1  LYS  15           HZ1      LYS  15  22.702   4.385   3.292
  117    HZ2  LYS  15           HZ2      LYS  15  21.810   3.206   4.024
  118    HZ3  LYS  15           HZ3      LYS  15  23.415   3.362   4.372
  119    H    ASN  16           H        ASN  16  22.108  -0.835  -2.028
  120    HA   ASN  16           HA       ASN  16  24.247  -2.824  -2.482
  121    HB2  ASN  16           HB2      ASN  16  21.570  -2.092  -3.736
  122    HB3  ASN  16           HB3      ASN  16  22.583  -3.400  -4.393
  123   HD21  ASN  16          HD21      ASN  16  19.922  -3.724  -3.111
  124   HD22  ASN  16          HD22      ASN  16  20.187  -4.727  -1.702
  125    H    LEU  17           H        LEU  17  23.179   0.215  -3.952
  126    HA   LEU  17           HA       LEU  17  24.733  -0.148  -6.433
  127    HB2  LEU  17           HB2      LEU  17  22.673   1.259  -6.148
  128    HB3  LEU  17           HB3      LEU  17  23.586   2.334  -5.062
  129    HG   LEU  17           HG       LEU  17  24.950   1.821  -7.633
  130   HD11  LEU  17          HD11      LEU  17  22.599   1.792  -8.426
  131   HD12  LEU  17          HD12      LEU  17  22.298   3.331  -7.584
  132   HD13  LEU  17          HD13      LEU  17  23.434   3.273  -8.953
  133   HD21  LEU  17          HD21      LEU  17  25.645   3.527  -5.971
  134   HD22  LEU  17          HD22      LEU  17  25.211   4.284  -7.522
  135   HD23  LEU  17          HD23      LEU  17  24.074   4.343  -6.153
  136    H    ILE  18           H        ILE  18  25.333   1.157  -3.203
  137    HA   ILE  18           HA       ILE  18  27.898   2.426  -4.088
  138    HB   ILE  18           HB       ILE  18  27.938   3.104  -1.668
  139   HG12  ILE  18          HG12      ILE  18  25.194   1.862  -1.384
  140   HG13  ILE  18          HG13      ILE  18  26.646   0.888  -1.052
  141   HG21  ILE  18          HG21      ILE  18  26.722   4.471  -3.343
  142   HG22  ILE  18          HG22      ILE  18  25.911   4.522  -1.760
  143   HG23  ILE  18          HG23      ILE  18  25.254   3.503  -3.064
  144   HD11  ILE  18          HD11      ILE  18  25.814   1.977   1.014
  145   HD12  ILE  18          HD12      ILE  18  25.969   3.570   0.236
  146   HD13  ILE  18          HD13      ILE  18  27.422   2.597   0.568
  147    H    LYS  19           H        LYS  19  26.729  -0.554  -2.656
  148    HA   LYS  19           HA       LYS  19  29.578  -1.299  -1.924
  149    HB2  LYS  19           HB3      LYS  19  27.247  -1.347  -0.459
  150    HB3  LYS  19           HB2      LYS  19  27.265  -3.001  -1.116
  151    HG2  LYS  19           HG3      LYS  19  29.736  -1.785   0.160
  152    HG3  LYS  19           HG2      LYS  19  28.486  -2.585   1.143
  153    HD2  LYS  19           HD2      LYS  19  28.909  -4.683   0.220
  154    HD3  LYS  19           HD3      LYS  19  29.535  -4.004  -1.302
  155    HE2  LYS  19           HE2      LYS  19  31.098  -3.323   1.159
  156    HE3  LYS  19           HE3      LYS  19  31.158  -5.030   0.632
  157    HZ1  LYS  19           HZ1      LYS  19  32.792  -3.678  -0.539
  158    HZ2  LYS  19           HZ2      LYS  19  31.606  -2.686  -1.114
  159    HZ3  LYS  19           HZ3      LYS  19  31.665  -4.264  -1.591
  160    HN1  NH2  20           H1       NH2  20  30.324  -2.101  -3.992
  161    HN2  NH2  20           H2       NH2  20  29.584  -3.477  -4.778
  Start of MODEL    3
    1    H1   ACE   1          HH31      ACE   1  -1.349  -1.358   4.962
    2    H2   ACE   1          HH32      ACE   1  -0.999  -0.422   3.490
    3    H3   ACE   1          HH33      ACE   1  -1.620  -2.085   3.360
    4    H    ILE   2           H        ILE   2   0.554  -1.833   1.933
    5    HA   ILE   2           HA       ILE   2   2.719  -3.070   3.653
    6    HB   ILE   2           HB       ILE   2   2.178  -3.142   0.642
    7   HG12  ILE   2          HG12      ILE   2   1.704  -5.285   2.759
    8   HG13  ILE   2          HG13      ILE   2   0.426  -4.237   2.100
    9   HG21  ILE   2          HG21      ILE   2   3.693  -5.356   1.310
   10   HG22  ILE   2          HG22      ILE   2   4.346  -3.849   0.623
   11   HG23  ILE   2          HG23      ILE   2   4.371  -4.108   2.384
   12   HD11  ILE   2          HD11      ILE   2   0.499  -6.408   0.905
   13   HD12  ILE   2          HD12      ILE   2   2.201  -6.115   0.476
   14   HD13  ILE   2          HD13      ILE   2   0.924  -5.066  -0.184
   15    H    PHE   3           H        PHE   3   2.155  -0.089   3.158
   16    HA   PHE   3           HA       PHE   3   4.209   0.927   1.361
   17    HB2  PHE   3           HB2      PHE   3   2.196   2.148   2.236
   18    HB3  PHE   3           HB3      PHE   3   2.932   2.148   3.858
   19    HD1  PHE   3           HD1      PHE   3   4.010   4.116   4.453
   20    HD2  PHE   3           HD2      PHE   3   4.008   2.920   0.329
   21    HE1  PHE   3           HE1      PHE   3   5.307   6.146   3.864
   22    HE2  PHE   3           HE2      PHE   3   5.306   4.948  -0.262
   23    HZ   PHE   3           HZ       PHE   3   5.957   6.561   1.506
   24    H    GLY   4           H        GLY   4   4.161   0.127   4.846
   25    HA2  GLY   4           HA2      GLY   4   6.744   1.246   5.484
   26    HA3  GLY   4           HA3      GLY   4   5.949  -0.071   6.378
   27    H    ALA   5           H        ALA   5   5.849  -1.531   3.609
   28    HA   ALA   5           HA       ALA   5   8.516  -2.850   3.993
   29    HB1  ALA   5           HB1      ALA   5   7.347  -4.682   3.285
   30    HB2  ALA   5           HB2      ALA   5   6.695  -3.814   1.874
   31    HB3  ALA   5           HB3      ALA   5   5.898  -3.663   3.458
   32    H    ILE   6           H        ILE   6   6.920  -0.619   1.819
   33    HA   ILE   6           HA       ILE   6   8.752  -1.182  -0.457
   34    HB   ILE   6           HB       ILE   6   6.764   1.069   0.124
   35   HG12  ILE   6          HG12      ILE   6   6.390  -1.445  -1.557
   36   HG13  ILE   6          HG13      ILE   6   5.851  -1.310   0.134
   37   HG21  ILE   6          HG21      ILE   6   8.400   1.615  -1.660
   38   HG22  ILE   6          HG22      ILE   6   6.774   1.362  -2.338
   39   HG23  ILE   6          HG23      ILE   6   8.008   0.087  -2.486
   40   HD11  ILE   6          HD11      ILE   6   4.003  -0.780  -1.434
   41   HD12  ILE   6          HD12      ILE   6   4.451   0.647  -0.470
   42   HD13  ILE   6          HD13      ILE   6   4.990   0.511  -2.161
   43    H    TRP   7           H        TRP   7   8.558   1.046   2.290
   44    HA   TRP   7           HA       TRP   7  10.456   3.008   1.265
   45    HB2  TRP   7           HB3      TRP   7   8.847   2.504   3.572
   46    HB3  TRP   7           HB2      TRP   7  10.518   2.708   4.153
   47    HD1  TRP   7           HD1      TRP   7   7.602   4.706   3.459
   48    HE1  TRP   7           HE1      TRP   7   8.173   7.175   2.982
   49    HE3  TRP   7           HE3      TRP   7  12.618   4.233   2.628
   50    HZ2  TRP   7           HZ2      TRP   7  10.515   8.725   2.320
   51    HZ3  TRP   7           HZ3      TRP   7  13.994   6.218   2.072
   52    HH2  TRP   7           HH2      TRP   7  12.950   8.462   1.923
   53    HA   PRO   8           HA       PRO   8  13.645   0.447   3.975
   54    HB2  PRO   8           HB2      PRO   8  12.426  -2.269   3.665
   55    HB3  PRO   8           HB3      PRO   8  13.200  -1.526   5.093
   56    HG2  PRO   8           HG2      PRO   8  10.522  -1.872   4.878
   57    HG3  PRO   8           HG3      PRO   8  11.268  -0.537   5.795
   58    HD2  PRO   8           HD2      PRO   8   9.859  -0.484   3.174
   59    HD3  PRO   8           HD3      PRO   8  10.042   0.797   4.408
   60    H    LEU   9           H        LEU   9  11.810  -0.723   1.188
   61    HA   LEU   9           HA       LEU   9  14.094  -2.148  -0.034
   62    HB2  LEU   9           HB3      LEU   9  11.441  -2.310  -0.294
   63    HB3  LEU   9           HB2      LEU   9  11.705  -1.067  -1.541
   64    HG   LEU   9           HG       LEU   9  13.279  -3.671  -1.446
   65   HD11  LEU   9          HD11      LEU   9  10.862  -4.167  -1.710
   66   HD12  LEU   9          HD12      LEU   9  11.747  -4.471  -3.224
   67   HD13  LEU   9          HD13      LEU   9  10.769  -2.994  -3.046
   68   HD21  LEU   9          HD21      LEU   9  13.126  -2.787  -4.054
   69   HD22  LEU   9          HD22      LEU   9  13.165  -1.251  -3.157
   70   HD23  LEU   9          HD23      LEU   9  14.475  -2.437  -2.947
   71    H    ALA  10           H        ALA  10  12.785   1.138  -0.074
   72    HA   ALA  10           HA       ALA  10  14.138   2.041  -2.493
   73    HB1  ALA  10           HB1      ALA  10  13.611   4.280  -1.515
   74    HB2  ALA  10           HB2      ALA  10  12.224   3.172  -1.384
   75    HB3  ALA  10           HB3      ALA  10  13.238   3.501   0.041
   76    H    LEU  11           H        LEU  11  15.016   2.132   0.986
   77    HA   LEU  11           HA       LEU  11  17.570   3.502   0.520
   78    HB2  LEU  11           HB2      LEU  11  16.080   2.112   2.727
   79    HB3  LEU  11           HB3      LEU  11  17.836   2.303   2.940
   80    HG   LEU  11           HG       LEU  11  16.174   4.659   2.032
   81   HD11  LEU  11          HD11      LEU  11  15.020   3.754   4.031
   82   HD12  LEU  11          HD12      LEU  11  15.846   5.285   4.408
   83   HD13  LEU  11          HD13      LEU  11  16.565   3.737   4.915
   84   HD21  LEU  11          HD21      LEU  11  17.966   5.885   3.232
   85   HD22  LEU  11          HD22      LEU  11  18.684   4.337   3.739
   86   HD23  LEU  11          HD23      LEU  11  18.651   4.780   2.015
   87    H    GLY  12           H        GLY  12  16.497   0.127   0.562
   88    HA2  GLY  12           HA2      GLY  12  19.159  -1.039   0.811
   89    HA3  GLY  12           HA3      GLY  12  17.712  -1.871   0.192
   90    H    ALA  13           H        ALA  13  17.194   0.108  -1.915
   91    HA   ALA  13           HA       ALA  13  18.747  -1.065  -4.049
   92    HB1  ALA  13           HB1      ALA  13  17.688   0.774  -5.368
   93    HB2  ALA  13           HB2      ALA  13  17.236   1.587  -3.851
   94    HB3  ALA  13           HB3      ALA  13  16.518   0.011  -4.265
   95    H    LEU  14           H        LEU  14  19.287   1.765  -1.991
   96    HA   LEU  14           HA       LEU  14  21.473   2.824  -3.695
   97    HB2  LEU  14           HB3      LEU  14  20.012   4.264  -2.323
   98    HB3  LEU  14           HB2      LEU  14  20.502   3.392  -0.851
   99    HG   LEU  14           HG       LEU  14  22.891   4.083  -1.342
  100   HD11  LEU  14          HD11      LEU  14  22.586   4.526  -3.766
  101   HD12  LEU  14          HD12      LEU  14  21.496   5.878  -3.381
  102   HD13  LEU  14          HD13      LEU  14  23.215   5.964  -2.928
  103   HD21  LEU  14          HD21      LEU  14  22.564   6.413  -0.555
  104   HD22  LEU  14          HD22      LEU  14  20.845   6.323  -1.005
  105   HD23  LEU  14          HD23      LEU  14  21.479   5.291   0.299
  106    H    LYS  15           H        LYS  15  21.235   1.203  -0.484
  107    HA   LYS  15           HA       LYS  15  24.068   1.063   0.020
  108    HB2  LYS  15           HB3      LYS  15  21.524  -0.122   0.962
  109    HB3  LYS  15           HB2      LYS  15  22.928  -1.191   1.194
  110    HG2  LYS  15           HG2      LYS  15  22.721   0.203   3.172
  111    HG3  LYS  15           HG3      LYS  15  24.139   0.766   2.255
  112    HD2  LYS  15           HD3      LYS  15  23.107   2.806   2.608
  113    HD3  LYS  15           HD2      LYS  15  22.281   2.334   1.104
  114    HE2  LYS  15           HE2      LYS  15  20.290   2.402   2.209
  115    HE3  LYS  15           HE3      LYS  15  20.874   1.115   3.303
  116    HZ1  LYS  15           HZ1      LYS  15  20.400   3.162   4.508
  117    HZ2  LYS  15           HZ2      LYS  15  22.008   2.804   4.586
  118    HZ3  LYS  15           HZ3      LYS  15  21.477   3.997   3.579
  119    H    ASN  16           H        ASN  16  22.008  -0.775  -2.149
  120    HA   ASN  16           HA       ASN  16  23.790  -3.111  -2.362
  121    HB2  ASN  16           HB2      ASN  16  21.368  -1.940  -3.715
  122    HB3  ASN  16           HB3      ASN  16  22.288  -3.180  -4.602
  123   HD21  ASN  16          HD21      ASN  16  22.872  -5.201  -3.127
  124   HD22  ASN  16          HD22      ASN  16  21.578  -5.757  -2.088
  125    H    LEU  17           H        LEU  17  23.361  -0.046  -4.164
  126    HA   LEU  17           HA       LEU  17  25.245  -0.792  -6.299
  127    HB2  LEU  17           HB3      LEU  17  23.717   1.611  -5.323
  128    HB3  LEU  17           HB2      LEU  17  25.094   1.906  -6.410
  129    HG   LEU  17           HG       LEU  17  22.952   1.627  -7.661
  130   HD11  LEU  17          HD11      LEU  17  25.105   0.979  -8.707
  131   HD12  LEU  17          HD12      LEU  17  24.937  -0.660  -8.034
  132   HD13  LEU  17          HD13      LEU  17  23.781  -0.077  -9.255
  133   HD21  LEU  17          HD21      LEU  17  21.728  -0.425  -7.625
  134   HD22  LEU  17          HD22      LEU  17  22.040  -0.034  -5.917
  135   HD23  LEU  17          HD23      LEU  17  23.022  -1.269  -6.740
  136    H    ILE  18           H        ILE  18  25.472   0.872  -3.166
  137    HA   ILE  18           HA       ILE  18  28.311   1.647  -3.690
  138    HB   ILE  18           HB       ILE  18  28.056   2.676  -1.436
  139   HG12  ILE  18          HG12      ILE  18  25.293   2.324  -0.919
  140   HG13  ILE  18          HG13      ILE  18  25.924   0.695  -1.263
  141   HG21  ILE  18          HG21      ILE  18  26.203   4.224  -2.003
  142   HG22  ILE  18          HG22      ILE  18  25.636   3.087  -3.249
  143   HG23  ILE  18          HG23      ILE  18  27.216   3.887  -3.427
  144   HD11  ILE  18          HD11      ILE  18  26.135   1.241   1.148
  145   HD12  ILE  18          HD12      ILE  18  27.105   2.676   0.738
  146   HD13  ILE  18          HD13      ILE  18  27.736   1.048   0.394
  147    H    LYS  19           H        LYS  19  26.501  -0.951  -2.183
  148    HA   LYS  19           HA       LYS  19  29.108  -2.017  -1.043
  149    HB2  LYS  19           HB2      LYS  19  26.819  -1.281   0.300
  150    HB3  LYS  19           HB3      LYS  19  26.495  -3.005  -0.001
  151    HG2  LYS  19           HG2      LYS  19  28.436  -3.694   1.179
  152    HG3  LYS  19           HG3      LYS  19  29.167  -2.073   1.099
  153    HD2  LYS  19           HD3      LYS  19  27.897  -1.265   2.852
  154    HD3  LYS  19           HD2      LYS  19  26.512  -2.316   2.472
  155    HE2  LYS  19           HE2      LYS  19  27.635  -4.255   3.437
  156    HE3  LYS  19           HE3      LYS  19  29.152  -3.329   3.633
  157    HZ1  LYS  19           HZ1      LYS  19  27.837  -3.328   5.670
  158    HZ2  LYS  19           HZ2      LYS  19  27.963  -1.800   5.062
  159    HZ3  LYS  19           HZ3      LYS  19  26.558  -2.645   4.883
  160    HN1  NH2  20           H1       NH2  20  27.746  -5.434  -2.034
  161    HN2  NH2  20           H2       NH2  20  28.089  -4.657  -0.504
  Start of MODEL    4
    1    H1   ACE   1          HH31      ACE   1  -1.282  -0.994   5.090
    2    H2   ACE   1          HH32      ACE   1  -1.003  -0.094   3.580
    3    H3   ACE   1          HH33      ACE   1  -1.661  -1.746   3.522
    4    H    ILE   2           H        ILE   2   0.429  -1.567   1.962
    5    HA   ILE   2           HA       ILE   2   2.657  -2.831   3.572
    6    HB   ILE   2           HB       ILE   2   3.245  -3.809   1.336
    7   HG12  ILE   2          HG12      ILE   2   0.669  -2.880   0.149
    8   HG13  ILE   2          HG13      ILE   2   1.949  -1.650   0.277
    9   HG21  ILE   2          HG21      ILE   2   1.657  -4.981   2.838
   10   HG22  ILE   2          HG22      ILE   2   0.305  -4.084   2.106
   11   HG23  ILE   2          HG23      ILE   2   1.236  -5.244   1.129
   12   HD11  ILE   2          HD11      ILE   2   2.087  -2.855  -1.887
   13   HD12  ILE   2          HD12      ILE   2   3.526  -3.169  -0.888
   14   HD13  ILE   2          HD13      ILE   2   2.246  -4.399  -1.017
   15    H    PHE   3           H        PHE   3   2.213   0.133   3.251
   16    HA   PHE   3           HA       PHE   3   4.213   1.096   1.317
   17    HB2  PHE   3           HB3      PHE   3   2.215   2.359   2.172
   18    HB3  PHE   3           HB2      PHE   3   2.964   2.397   3.787
   19    HD1  PHE   3           HD1      PHE   3   4.010   4.398   4.312
   20    HD2  PHE   3           HD2      PHE   3   4.069   3.032   0.240
   21    HE1  PHE   3           HE1      PHE   3   5.322   6.400   3.659
   22    HE2  PHE   3           HE2      PHE   3   5.381   5.033  -0.413
   23    HZ   PHE   3           HZ       PHE   3   6.005   6.718   1.296
   24    H    GLY   4           H        GLY   4   4.174   0.373   4.818
   25    HA2  GLY   4           HA3      GLY   4   6.794   1.477   5.383
   26    HA3  GLY   4           HA2      GLY   4   5.960   0.246   6.359
   27    H    ALA   5           H        ALA   5   5.806  -1.330   3.629
   28    HA   ALA   5           HA       ALA   5   8.395  -2.764   4.117
   29    HB1  ALA   5           HB1      ALA   5   7.286  -4.468   2.664
   30    HB2  ALA   5           HB2      ALA   5   5.958  -3.324   2.355
   31    HB3  ALA   5           HB3      ALA   5   6.222  -3.959   3.997
   32    H    ILE   6           H        ILE   6   6.928  -0.574   1.802
   33    HA   ILE   6           HA       ILE   6   8.789  -1.303  -0.397
   34    HB   ILE   6           HB       ILE   6   6.850   1.016   0.069
   35   HG12  ILE   6          HG13      ILE   6   6.523  -1.514  -1.602
   36   HG13  ILE   6          HG12      ILE   6   5.886  -1.330   0.050
   37   HG21  ILE   6          HG21      ILE   6   8.571   1.535  -1.643
   38   HG22  ILE   6          HG22      ILE   6   8.195   0.012  -2.482
   39   HG23  ILE   6          HG23      ILE   6   6.973   1.303  -2.392
   40   HD11  ILE   6          HD11      ILE   6   4.149  -0.801  -1.638
   41   HD12  ILE   6          HD12      ILE   6   4.567   0.638  -0.677
   42   HD13  ILE   6          HD13      ILE   6   5.204   0.455  -2.329
   43    H    TRP   7           H        TRP   7   8.598   1.095   2.213
   44    HA   TRP   7           HA       TRP   7  10.611   2.913   1.170
   45    HB2  TRP   7           HB2      TRP   7   8.963   2.525   3.492
   46    HB3  TRP   7           HB3      TRP   7  10.635   2.756   4.057
   47    HD1  TRP   7           HD1      TRP   7   7.731   4.728   3.317
   48    HE1  TRP   7           HE1      TRP   7   8.298   7.165   2.692
   49    HE3  TRP   7           HE3      TRP   7  12.720   4.184   2.389
   50    HZ2  TRP   7           HZ2      TRP   7  10.630   8.665   1.891
   51    HZ3  TRP   7           HZ3      TRP   7  14.091   6.128   1.691
   52    HH2  TRP   7           HH2      TRP   7  13.054   8.367   1.447
   53    HA   PRO   8           HA       PRO   8  13.632   0.331   4.075
   54    HB2  PRO   8           HB3      PRO   8  12.301  -2.333   3.750
   55    HB3  PRO   8           HB2      PRO   8  13.090  -1.629   5.190
   56    HG2  PRO   8           HG2      PRO   8  10.401  -1.839   4.923
   57    HG3  PRO   8           HG3      PRO   8  11.192  -0.538   5.851
   58    HD2  PRO   8           HD2      PRO   8   9.816  -0.420   3.221
   59    HD3  PRO   8           HD3      PRO   8  10.087   0.864   4.437
   60    H    LEU   9           H        LEU   9  11.844  -0.895   1.269
   61    HA   LEU   9           HA       LEU   9  14.148  -2.359   0.142
   62    HB2  LEU   9           HB2      LEU   9  11.512  -2.538  -0.177
   63    HB3  LEU   9           HB3      LEU   9  11.789  -1.313  -1.438
   64    HG   LEU   9           HG       LEU   9  13.570  -2.829  -2.407
   65   HD11  LEU   9          HD11      LEU   9  14.010  -4.133  -0.344
   66   HD12  LEU   9          HD12      LEU   9  13.545  -5.202  -1.689
   67   HD13  LEU   9          HD13      LEU   9  12.363  -4.806  -0.419
   68   HD21  LEU   9          HD21      LEU   9  11.943  -4.397  -3.429
   69   HD22  LEU   9          HD22      LEU   9  10.762  -3.999  -2.158
   70   HD23  LEU   9          HD23      LEU   9  11.269  -2.753  -3.325
   71    H    ALA  10           H        ALA  10  12.862   0.928  -0.007
   72    HA   ALA  10           HA       ALA  10  14.373   1.723  -2.402
   73    HB1  ALA  10           HB1      ALA  10  13.649   3.990  -1.637
   74    HB2  ALA  10           HB2      ALA  10  13.146   3.292  -0.079
   75    HB3  ALA  10           HB3      ALA  10  12.304   2.826  -1.577
   76    H    LEU  11           H        LEU  11  14.968   1.700   1.100
   77    HA   LEU  11           HA       LEU  11  17.427   3.331   0.904
   78    HB2  LEU  11           HB2      LEU  11  15.811   1.837   2.935
   79    HB3  LEU  11           HB3      LEU  11  17.535   2.058   3.318
   80    HG   LEU  11           HG       LEU  11  16.039   4.439   2.272
   81   HD11  LEU  11          HD11      LEU  11  15.191   4.959   4.544
   82   HD12  LEU  11          HD12      LEU  11  15.770   3.379   5.122
   83   HD13  LEU  11          HD13      LEU  11  14.462   3.461   3.918
   84   HD21  LEU  11          HD21      LEU  11  17.527   5.577   3.899
   85   HD22  LEU  11          HD22      LEU  11  18.102   3.995   4.478
   86   HD23  LEU  11          HD23      LEU  11  18.459   4.517   2.814
   87    H    GLY  12           H        GLY  12  16.576  -0.096   0.753
   88    HA2  GLY  12           HA2      GLY  12  19.354  -1.017   1.156
   89    HA3  GLY  12           HA3      GLY  12  17.981  -2.017   0.625
   90    H    ALA  13           H        ALA  13  17.254  -0.210  -1.588
   91    HA   ALA  13           HA       ALA  13  18.851  -1.378  -3.689
   92    HB1  ALA  13           HB1      ALA  13  17.639   0.309  -5.079
   93    HB2  ALA  13           HB2      ALA  13  16.547  -0.472  -3.910
   94    HB3  ALA  13           HB3      ALA  13  17.159   1.170  -3.597
   95    H    LEU  14           H        LEU  14  19.238   1.567  -1.776
   96    HA   LEU  14           HA       LEU  14  21.266   2.750  -3.575
   97    HB2  LEU  14           HB2      LEU  14  19.769   4.065  -2.099
   98    HB3  LEU  14           HB3      LEU  14  20.452   3.257  -0.669
   99    HG   LEU  14           HG       LEU  14  22.722   4.150  -1.345
  100   HD11  LEU  14          HD11      LEU  14  22.203   4.504  -3.743
  101   HD12  LEU  14          HD12      LEU  14  21.026   5.764  -3.303
  102   HD13  LEU  14          HD13      LEU  14  22.759   6.013  -2.980
  103   HD21  LEU  14          HD21      LEU  14  22.247   6.462  -0.578
  104   HD22  LEU  14          HD22      LEU  14  21.327   5.272   0.372
  105   HD23  LEU  14          HD23      LEU  14  20.515   6.213  -0.902
  106    H    LYS  15           H        LYS  15  21.349   1.181  -0.324
  107    HA   LYS  15           HA       LYS  15  24.193   1.228   0.022
  108    HB2  LYS  15           HB2      LYS  15  21.830   0.065   1.193
  109    HB3  LYS  15           HB3      LYS  15  23.060  -1.214   1.060
  110    HG2  LYS  15           HG2      LYS  15  23.367  -0.087   3.195
  111    HG3  LYS  15           HG3      LYS  15  24.717   0.370   2.129
  112    HD2  LYS  15           HD3      LYS  15  23.930   2.397   3.177
  113    HD3  LYS  15           HD2      LYS  15  23.370   2.435   1.488
  114    HE2  LYS  15           HE2      LYS  15  21.152   2.247   2.094
  115    HE3  LYS  15           HE3      LYS  15  21.520   1.122   3.434
  116    HZ1  LYS  15           HZ1      LYS  15  20.888   3.312   4.256
  117    HZ2  LYS  15           HZ2      LYS  15  22.452   2.974   4.653
  118    HZ3  LYS  15           HZ3      LYS  15  22.122   4.018   3.419
  119    H    ASN  16           H        ASN  16  22.112  -0.990  -1.826
  120    HA   ASN  16           HA       ASN  16  24.159  -3.016  -2.308
  121    HB2  ASN  16           HB2      ASN  16  21.514  -2.148  -3.506
  122    HB3  ASN  16           HB3      ASN  16  22.480  -3.400  -4.323
  123   HD21  ASN  16          HD21      ASN  16  21.508  -2.611  -0.900
  124   HD22  ASN  16          HD22      ASN  16  21.097  -4.263  -0.497
  125    H    LEU  17           H        LEU  17  23.143  -0.048  -4.026
  126    HA   LEU  17           HA       LEU  17  24.775  -0.502  -6.398
  127    HB2  LEU  17           HB2      LEU  17  22.804   1.085  -6.037
  128    HB3  LEU  17           HB3      LEU  17  23.911   2.134  -5.119
  129    HG   LEU  17           HG       LEU  17  25.394   1.701  -7.376
  130   HD11  LEU  17          HD11      LEU  17  23.570   0.400  -8.440
  131   HD12  LEU  17          HD12      LEU  17  22.466   1.780  -8.233
  132   HD13  LEU  17          HD13      LEU  17  23.869   1.918  -9.319
  133   HD21  LEU  17          HD21      LEU  17  24.868   3.883  -6.322
  134   HD22  LEU  17          HD22      LEU  17  24.627   3.949  -8.084
  135   HD23  LEU  17          HD23      LEU  17  23.223   3.812  -6.999
  136    H    ILE  18           H        ILE  18  25.391   1.003  -3.229
  137    HA   ILE  18           HA       ILE  18  28.113   1.885  -4.113
  138    HB   ILE  18           HB       ILE  18  28.133   2.853  -1.808
  139   HG12  ILE  18          HG13      ILE  18  25.299   1.819  -1.486
  140   HG13  ILE  18          HG12      ILE  18  26.692   0.867  -0.918
  141   HG21  ILE  18          HG21      ILE  18  27.070   4.099  -3.670
  142   HG22  ILE  18          HG22      ILE  18  26.237   4.409  -2.128
  143   HG23  ILE  18          HG23      ILE  18  25.520   3.297  -3.319
  144   HD11  ILE  18          HD11      ILE  18  25.791   2.296   0.898
  145   HD12  ILE  18          HD12      ILE  18  26.051   3.740  -0.109
  146   HD13  ILE  18          HD13      ILE  18  27.444   2.788   0.458
  147    H    LYS  19           H        LYS  19  26.571  -0.759  -2.381
  148    HA   LYS  19           HA       LYS  19  29.311  -1.727  -1.503
  149    HB2  LYS  19           HB2      LYS  19  26.994  -1.290  -0.071
  150    HB3  LYS  19           HB3      LYS  19  26.823  -3.013  -0.482
  151    HG2  LYS  19           HG2      LYS  19  28.111  -3.293   1.398
  152    HG3  LYS  19           HG3      LYS  19  29.443  -2.967   0.263
  153    HD2  LYS  19           HD3      LYS  19  29.867  -0.908   1.160
  154    HD3  LYS  19           HD2      LYS  19  28.139  -0.545   1.386
  155    HE2  LYS  19           HE2      LYS  19  28.875  -0.762   3.619
  156    HE3  LYS  19           HE3      LYS  19  28.318  -2.424   3.267
  157    HZ1  LYS  19           HZ1      LYS  19  30.580  -2.406   4.134
  158    HZ2  LYS  19           HZ2      LYS  19  30.559  -2.966   2.582
  159    HZ3  LYS  19           HZ3      LYS  19  31.080  -1.433   2.899
  160    HN1  NH2  20           H1       NH2  20  26.117  -3.167  -2.514
  161    HN2  NH2  20           H2       NH2  20  26.836  -4.420  -3.501
  Start of MODEL    5
    1    H1   ACE   1          HH31      ACE   1  -1.478  -1.568   3.615
    2    H2   ACE   1          HH32      ACE   1  -1.075  -0.891   2.018
    3    H3   ACE   1          HH33      ACE   1  -1.574  -2.594   2.164
    4    H    ILE   2           H        ILE   2   0.686  -2.437   0.858
    5    HA   ILE   2           HA       ILE   2   2.741  -3.324   2.871
    6    HB   ILE   2           HB       ILE   2   2.555  -3.515  -0.179
    7   HG12  ILE   2          HG12      ILE   2   2.111  -5.687   1.912
    8   HG13  ILE   2          HG13      ILE   2   0.783  -4.732   1.209
    9   HG21  ILE   2          HG21      ILE   2   4.199  -5.545   0.640
   10   HG22  ILE   2          HG22      ILE   2   4.788  -3.957   0.093
   11   HG23  ILE   2          HG23      ILE   2   4.612  -4.290   1.833
   12   HD11  ILE   2          HD11      ILE   2   1.092  -6.865  -0.019
   13   HD12  ILE   2          HD12      ILE   2   2.782  -6.425  -0.359
   14   HD13  ILE   2          HD13      ILE   2   1.455  -5.470  -1.062
   15    H    PHE   3           H        PHE   3   1.961  -0.394   1.927
   16    HA   PHE   3           HA       PHE   3   4.225   0.688   0.493
   17    HB2  PHE   3           HB3      PHE   3   2.004   1.779   0.954
   18    HB3  PHE   3           HB2      PHE   3   2.474   1.947   2.663
   19    HD1  PHE   3           HD1      PHE   3   3.486   3.936   3.322
   20    HD2  PHE   3           HD2      PHE   3   3.838   2.677  -0.770
   21    HE1  PHE   3           HE1      PHE   3   4.701   6.032   2.782
   22    HE2  PHE   3           HE2      PHE   3   5.054   4.771  -1.309
   23    HZ   PHE   3           HZ       PHE   3   5.482   6.448   0.466
   24    H    GLY   4           H        GLY   4   3.647   0.147   3.988
   25    HA2  GLY   4           HA3      GLY   4   6.011   1.490   4.939
   26    HA3  GLY   4           HA2      GLY   4   5.177   0.167   5.789
   27    H    ALA   5           H        ALA   5   5.613  -1.487   3.188
   28    HA   ALA   5           HA       ALA   5   8.280  -2.541   4.054
   29    HB1  ALA   5           HB1      ALA   5   7.339  -4.500   3.362
   30    HB2  ALA   5           HB2      ALA   5   5.829  -3.583   3.151
   31    HB3  ALA   5           HB3      ALA   5   6.930  -3.816   1.771
   32    H    ILE   6           H        ILE   6   6.986  -0.438   1.637
   33    HA   ILE   6           HA       ILE   6   9.066  -1.070  -0.403
   34    HB   ILE   6           HB       ILE   6   7.012   1.178  -0.099
   35   HG12  ILE   6          HG12      ILE   6   5.986  -1.070  -0.192
   36   HG13  ILE   6          HG13      ILE   6   5.677  -0.176  -1.699
   37   HG21  ILE   6          HG21      ILE   6   8.415   2.033  -1.733
   38   HG22  ILE   6          HG22      ILE   6   7.385   0.996  -2.749
   39   HG23  ILE   6          HG23      ILE   6   8.990   0.424  -2.233
   40   HD11  ILE   6          HD11      ILE   6   6.389  -2.197  -2.591
   41   HD12  ILE   6          HD12      ILE   6   7.450  -2.555  -1.208
   42   HD13  ILE   6          HD13      ILE   6   7.960  -1.376  -2.440
   43    H    TRP   7           H        TRP   7   8.382   1.471   2.023
   44    HA   TRP   7           HA       TRP   7  10.489   3.282   1.258
   45    HB2  TRP   7           HB3      TRP   7   8.488   3.024   3.224
   46    HB3  TRP   7           HB2      TRP   7  10.009   3.096   4.148
   47    HD1  TRP   7           HD1      TRP   7   7.519   5.302   2.705
   48    HE1  TRP   7           HE1      TRP   7   8.411   7.698   2.352
   49    HE3  TRP   7           HE3      TRP   7  12.513   4.391   3.234
   50    HZ2  TRP   7           HZ2      TRP   7  10.975   9.025   2.312
   51    HZ3  TRP   7           HZ3      TRP   7  14.158   6.234   3.034
   52    HH2  TRP   7           HH2      TRP   7  13.395   8.547   2.572
   53    HA   PRO   8           HA       PRO   8  13.171   0.927   4.618
   54    HB2  PRO   8           HB2      PRO   8  12.024  -1.817   4.292
   55    HB3  PRO   8           HB3      PRO   8  12.544  -0.970   5.777
   56    HG2  PRO   8           HG3      PRO   8   9.943  -1.365   5.138
   57    HG3  PRO   8           HG2      PRO   8  10.516   0.043   6.071
   58    HD2  PRO   8           HD2      PRO   8   9.587  -0.119   3.242
   59    HD3  PRO   8           HD3      PRO   8   9.530   1.248   4.395
   60    H    LEU   9           H        LEU   9  11.818  -0.506   1.675
   61    HA   LEU   9           HA       LEU   9  14.321  -1.912   0.947
   62    HB2  LEU   9           HB3      LEU   9  11.676  -2.139   0.317
   63    HB3  LEU   9           HB2      LEU   9  12.236  -1.186  -1.079
   64    HG   LEU   9           HG       LEU   9  14.224  -3.003  -1.014
   65   HD11  LEU   9          HD11      LEU   9  13.307  -4.160   0.979
   66   HD12  LEU   9          HD12      LEU   9  11.784  -4.456   0.105
   67   HD13  LEU   9          HD13      LEU   9  13.291  -5.229  -0.445
   68   HD21  LEU   9          HD21      LEU   9  12.950  -4.268  -2.725
   69   HD22  LEU   9          HD22      LEU   9  12.724  -2.514  -2.927
   70   HD23  LEU   9          HD23      LEU   9  11.444  -3.495  -2.175
   71    H    ALA  10           H        ALA  10  12.924   1.290   0.464
   72    HA   ALA  10           HA       ALA  10  14.416   2.086  -1.882
   73    HB1  ALA  10           HB1      ALA  10  13.552   4.197  -1.344
   74    HB2  ALA  10           HB2      ALA  10  12.462   3.154  -0.400
   75    HB3  ALA  10           HB3      ALA  10  13.824   3.974   0.401
   76    H    LEU  11           H        LEU  11  15.258   1.978   1.574
   77    HA   LEU  11           HA       LEU  11  17.776   3.472   1.245
   78    HB2  LEU  11           HB2      LEU  11  16.574   1.638   3.369
   79    HB3  LEU  11           HB3      LEU  11  18.118   2.493   3.590
   80    HG   LEU  11           HG       LEU  11  16.082   4.327   2.604
   81   HD11  LEU  11          HD11      LEU  11  14.507   2.764   3.710
   82   HD12  LEU  11          HD12      LEU  11  15.468   2.856   5.206
   83   HD13  LEU  11          HD13      LEU  11  14.619   4.300   4.604
   84   HD21  LEU  11          HD21      LEU  11  18.186   4.949   3.765
   85   HD22  LEU  11          HD22      LEU  11  16.765   5.575   4.635
   86   HD23  LEU  11          HD23      LEU  11  17.613   4.131   5.238
   87    H    GLY  12           H        GLY  12  16.769   0.094   0.984
   88    HA2  GLY  12           HA2      GLY  12  19.535  -0.943   1.107
   89    HA3  GLY  12           HA3      GLY  12  18.082  -1.869   0.661
   90    H    ALA  13           H        ALA  13  17.256   0.114  -1.384
   91    HA   ALA  13           HA       ALA  13  18.571  -1.032  -3.684
   92    HB1  ALA  13           HB1      ALA  13  17.353   0.802  -4.866
   93    HB2  ALA  13           HB2      ALA  13  17.071   1.607  -3.305
   94    HB3  ALA  13           HB3      ALA  13  16.323   0.027  -3.639
   95    H    LEU  14           H        LEU  14  19.360   1.741  -1.645
   96    HA   LEU  14           HA       LEU  14  21.286   2.891  -3.584
   97    HB2  LEU  14           HB2      LEU  14  20.014   4.239  -1.942
   98    HB3  LEU  14           HB3      LEU  14  20.740   3.318  -0.603
   99    HG   LEU  14           HG       LEU  14  23.021   4.076  -1.502
  100   HD11  LEU  14          HD11      LEU  14  22.230   4.736  -3.758
  101   HD12  LEU  14          HD12      LEU  14  21.218   6.007  -3.031
  102   HD13  LEU  14          HD13      LEU  14  22.992   6.109  -2.921
  103   HD21  LEU  14          HD21      LEU  14  22.826   6.306  -0.436
  104   HD22  LEU  14          HD22      LEU  14  21.948   5.072   0.498
  105   HD23  LEU  14          HD23      LEU  14  21.052   6.203  -0.545
  106    H    LYS  15           H        LYS  15  21.522   1.183  -0.418
  107    HA   LYS  15           HA       LYS  15  24.385   1.026  -0.310
  108    HB2  LYS  15           HB3      LYS  15  22.221   0.292   1.220
  109    HB3  LYS  15           HB2      LYS  15  22.792  -1.300   0.668
  110    HG2  LYS  15           HG2      LYS  15  24.365  -1.199   2.291
  111    HG3  LYS  15           HG3      LYS  15  25.134   0.112   1.365
  112    HD2  LYS  15           HD2      LYS  15  22.855   0.581   3.332
  113    HD3  LYS  15           HD3      LYS  15  24.572   0.676   3.794
  114    HE2  LYS  15           HE3      LYS  15  23.895   2.198   1.334
  115    HE3  LYS  15           HE2      LYS  15  23.116   2.813   2.821
  116    HZ1  LYS  15           HZ1      LYS  15  25.365   3.684   2.562
  117    HZ2  LYS  15           HZ2      LYS  15  25.989   2.158   2.520
  118    HZ3  LYS  15           HZ3      LYS  15  25.278   2.721   3.898
  119    H    ASN  16           H        ASN  16  22.038  -0.824  -2.190
  120    HA   ASN  16           HA       ASN  16  23.812  -3.085  -2.781
  121    HB2  ASN  16           HB2      ASN  16  21.290  -1.867  -3.974
  122    HB3  ASN  16           HB3      ASN  16  22.050  -3.314  -4.678
  123   HD21  ASN  16          HD21      ASN  16  19.697  -4.082  -3.886
  124   HD22  ASN  16          HD22      ASN  16  19.667  -4.775  -2.281
  125    H    LEU  17           H        LEU  17  23.115   0.048  -4.363
  126    HA   LEU  17           HA       LEU  17  24.655  -0.564  -6.786
  127    HB2  LEU  17           HB3      LEU  17  23.315   1.768  -5.445
  128    HB3  LEU  17           HB2      LEU  17  24.534   2.143  -6.686
  129    HG   LEU  17           HG       LEU  17  22.227   1.947  -7.639
  130   HD11  LEU  17          HD11      LEU  17  24.214   1.417  -9.025
  131   HD12  LEU  17          HD12      LEU  17  24.150  -0.273  -8.469
  132   HD13  LEU  17          HD13      LEU  17  22.831   0.386  -9.466
  133   HD21  LEU  17          HD21      LEU  17  21.036  -0.133  -7.607
  134   HD22  LEU  17          HD22      LEU  17  21.563   0.145  -5.930
  135   HD23  LEU  17          HD23      LEU  17  22.442  -1.011  -6.959
  136    H    ILE  18           H        ILE  18  25.361   1.021  -3.669
  137    HA   ILE  18           HA       ILE  18  28.108   1.759  -4.555
  138    HB   ILE  18           HB       ILE  18  28.214   2.623  -2.208
  139   HG12  ILE  18          HG12      ILE  18  25.342   1.965  -1.736
  140   HG13  ILE  18          HG13      ILE  18  26.483   0.606  -1.595
  141   HG21  ILE  18          HG21      ILE  18  27.182   3.991  -4.001
  142   HG22  ILE  18          HG22      ILE  18  26.380   4.271  -2.437
  143   HG23  ILE  18          HG23      ILE  18  25.604   3.240  -3.663
  144   HD11  ILE  18          HD11      ILE  18  26.192   1.755   0.583
  145   HD12  ILE  18          HD12      ILE  18  26.719   3.286  -0.155
  146   HD13  ILE  18          HD13      ILE  18  27.860   1.928  -0.013
  147    H    LYS  19           H        LYS  19  26.583  -1.056  -3.314
  148    HA   LYS  19           HA       LYS  19  28.597  -2.090  -1.529
  149    HB2  LYS  19           HB3      LYS  19  26.152  -2.852  -2.505
  150    HB3  LYS  19           HB2      LYS  19  27.214  -3.954  -3.415
  151    HG2  LYS  19           HG2      LYS  19  26.581  -5.036  -1.320
  152    HG3  LYS  19           HG3      LYS  19  28.306  -4.602  -1.236
  153    HD2  LYS  19           HD2      LYS  19  27.959  -2.980   0.362
  154    HD3  LYS  19           HD3      LYS  19  26.358  -2.540  -0.281
  155    HE2  LYS  19           HE2      LYS  19  25.291  -4.374   0.819
  156    HE3  LYS  19           HE3      LYS  19  26.847  -5.210   1.099
  157    HZ1  LYS  19           HZ1      LYS  19  26.110  -4.013   3.073
  158    HZ2  LYS  19           HZ2      LYS  19  26.085  -2.589   2.240
  159    HZ3  LYS  19           HZ3      LYS  19  27.515  -3.369   2.497
  160    HN1  NH2  20           H1       NH2  20  30.480  -3.414  -1.951
  161    HN2  NH2  20           H2       NH2  20  31.189  -3.541  -3.545
  Start of MODEL    6
    1    H1   ACE   1          HH31      ACE   1  -1.916  -1.395   3.642
    2    H2   ACE   1          HH32      ACE   1  -1.227  -0.314   2.407
    3    H3   ACE   1          HH33      ACE   1  -1.723  -1.966   1.967
    4    H    ILE   2           H        ILE   2   0.742  -1.544   1.203
    5    HA   ILE   2           HA       ILE   2   2.472  -2.708   3.413
    6    HB   ILE   2           HB       ILE   2   3.616  -3.879   1.498
    7   HG12  ILE   2          HG13      ILE   2   1.325  -3.216  -0.310
    8   HG13  ILE   2          HG12      ILE   2   2.554  -1.949  -0.082
    9   HG21  ILE   2          HG21      ILE   2   1.781  -4.983   2.747
   10   HG22  ILE   2          HG22      ILE   2   1.767  -5.460   1.032
   11   HG23  ILE   2          HG23      ILE   2   0.592  -4.265   1.633
   12   HD11  ILE   2          HD11      ILE   2   3.131  -3.413  -1.999
   13   HD12  ILE   2          HD12      ILE   2   4.333  -3.564  -0.695
   14   HD13  ILE   2          HD13      ILE   2   3.104  -4.831  -0.923
   15    H    PHE   3           H        PHE   3   2.058   0.179   2.636
   16    HA   PHE   3           HA       PHE   3   4.272   1.144   1.056
   17    HB2  PHE   3           HB2      PHE   3   2.223   2.396   1.818
   18    HB3  PHE   3           HB3      PHE   3   2.883   2.404   3.471
   19    HD1  PHE   3           HD1      PHE   3   4.301   3.017   0.034
   20    HD2  PHE   3           HD2      PHE   3   3.796   4.463   4.046
   21    HE1  PHE   3           HE1      PHE   3   5.653   5.021  -0.519
   22    HE2  PHE   3           HE2      PHE   3   5.147   6.468   3.494
   23    HZ   PHE   3           HZ       PHE   3   6.074   6.748   1.211
   24    H    GLY   4           H        GLY   4   3.980   0.386   4.542
   25    HA2  GLY   4           HA2      GLY   4   6.561   1.428   5.316
   26    HA3  GLY   4           HA3      GLY   4   5.664   0.160   6.186
   27    H    ALA   5           H        ALA   5   5.673  -1.345   3.436
   28    HA   ALA   5           HA       ALA   5   8.259  -2.755   4.003
   29    HB1  ALA   5           HB1      ALA   5   7.233  -4.446   2.476
   30    HB2  ALA   5           HB2      ALA   5   6.111  -3.977   3.775
   31    HB3  ALA   5           HB3      ALA   5   5.902  -3.314   2.136
   32    H    ILE   6           H        ILE   6   6.963  -0.418   1.786
   33    HA   ILE   6           HA       ILE   6   8.824  -1.134  -0.431
   34    HB   ILE   6           HB       ILE   6   6.975   1.243   0.105
   35   HG12  ILE   6          HG13      ILE   6   5.796  -0.935   0.000
   36   HG13  ILE   6          HG12      ILE   6   5.429   0.059  -1.429
   37   HG21  ILE   6          HG21      ILE   6   8.321   2.068  -1.594
   38   HG22  ILE   6          HG22      ILE   6   7.145   1.156  -2.569
   39   HG23  ILE   6          HG23      ILE   6   8.735   0.446  -2.198
   40   HD11  ILE   6          HD11      ILE   6   6.144  -2.520  -1.657
   41   HD12  ILE   6          HD12      ILE   6   6.640  -1.306  -2.861
   42   HD13  ILE   6          HD13      ILE   6   7.776  -1.814  -1.588
   43    H    TRP   7           H        TRP   7   8.603   1.238   2.219
   44    HA   TRP   7           HA       TRP   7  10.748   2.963   1.311
   45    HB2  TRP   7           HB2      TRP   7   8.965   2.633   3.538
   46    HB3  TRP   7           HB3      TRP   7  10.614   2.792   4.191
   47    HD1  TRP   7           HD1      TRP   7   7.856   4.907   3.403
   48    HE1  TRP   7           HE1      TRP   7   8.557   7.313   2.782
   49    HE3  TRP   7           HE3      TRP   7  12.816   4.101   2.502
   50    HZ2  TRP   7           HZ2      TRP   7  10.969   8.687   1.994
   51    HZ3  TRP   7           HZ3      TRP   7  14.291   5.968   1.815
   52    HH2  TRP   7           HH2      TRP   7  13.375   8.260   1.560
   53    HA   PRO   8           HA       PRO   8  13.518   0.230   4.297
   54    HB2  PRO   8           HB3      PRO   8  12.095  -2.379   3.954
   55    HB3  PRO   8           HB2      PRO   8  12.841  -1.680   5.420
   56    HG2  PRO   8           HG2      PRO   8  10.163  -1.799   5.043
   57    HG3  PRO   8           HG3      PRO   8  10.957  -0.496   5.967
   58    HD2  PRO   8           HD3      PRO   8   9.744  -0.434   3.249
   59    HD3  PRO   8           HD2      PRO   8   9.916   0.876   4.454
   60    H    LEU   9           H        LEU   9  11.771  -0.923   1.440
   61    HA   LEU   9           HA       LEU   9  14.067  -2.484   0.403
   62    HB2  LEU   9           HB2      LEU   9  11.399  -2.564   0.044
   63    HB3  LEU   9           HB3      LEU   9  11.795  -1.465  -1.298
   64    HG   LEU   9           HG       LEU   9  13.501  -3.909  -0.991
   65   HD11  LEU   9          HD11      LEU   9  11.213  -4.789  -0.621
   66   HD12  LEU   9          HD12      LEU   9  11.841  -5.290  -2.209
   67   HD13  LEU   9          HD13      LEU   9  10.657  -3.965  -2.098
   68   HD21  LEU   9          HD21      LEU   9  13.396  -3.794  -3.467
   69   HD22  LEU   9          HD22      LEU   9  12.212  -2.470  -3.354
   70   HD23  LEU   9          HD23      LEU   9  13.877  -2.226  -2.774
   71    H    ALA  10           H        ALA  10  12.835   0.819   0.159
   72    HA   ALA  10           HA       ALA  10  14.370   1.542  -2.240
   73    HB1  ALA  10           HB1      ALA  10  13.704   3.839  -1.508
   74    HB2  ALA  10           HB2      ALA  10  13.188   3.177   0.061
   75    HB3  ALA  10           HB3      ALA  10  12.330   2.710  -1.427
   76    H    LEU  11           H        LEU  11  15.021   1.429   1.235
   77    HA   LEU  11           HA       LEU  11  17.466   3.086   1.061
   78    HB2  LEU  11           HB3      LEU  11  16.015   1.366   3.085
   79    HB3  LEU  11           HB2      LEU  11  17.681   1.891   3.430
   80    HG   LEU  11           HG       LEU  11  15.590   3.880   2.502
   81   HD11  LEU  11          HD11      LEU  11  14.647   2.706   4.472
   82   HD12  LEU  11          HD12      LEU  11  15.119   4.371   4.885
   83   HD13  LEU  11          HD13      LEU  11  16.154   3.007   5.371
   84   HD21  LEU  11          HD21      LEU  11  17.066   5.438   3.742
   85   HD22  LEU  11          HD22      LEU  11  18.100   4.073   4.227
   86   HD23  LEU  11          HD23      LEU  11  17.980   4.534   2.512
   87    H    GLY  12           H        GLY  12  16.637  -0.338   0.775
   88    HA2  GLY  12           HA2      GLY  12  19.438  -1.237   1.079
   89    HA3  GLY  12           HA3      GLY  12  18.061  -2.239   0.561
   90    H    ALA  13           H        ALA  13  17.215  -0.450  -1.583
   91    HA   ALA  13           HA       ALA  13  18.782  -1.505  -3.757
   92    HB1  ALA  13           HB1      ALA  13  17.473   0.170  -5.069
   93    HB2  ALA  13           HB2      ALA  13  16.446  -0.671  -3.884
   94    HB3  ALA  13           HB3      ALA  13  17.014   0.983  -3.554
   95    H    LEU  14           H        LEU  14  19.163   1.395  -1.774
   96    HA   LEU  14           HA       LEU  14  21.108   2.653  -3.632
   97    HB2  LEU  14           HB2      LEU  14  19.604   3.957  -2.173
   98    HB3  LEU  14           HB3      LEU  14  20.271   3.154  -0.732
   99    HG   LEU  14           HG       LEU  14  22.535   4.081  -1.341
  100   HD11  LEU  14          HD11      LEU  14  22.097   4.395  -3.761
  101   HD12  LEU  14          HD12      LEU  14  20.890   5.646  -3.381
  102   HD13  LEU  14          HD13      LEU  14  22.608   5.921  -3.002
  103   HD21  LEU  14          HD21      LEU  14  22.007   6.398  -0.625
  104   HD22  LEU  14          HD22      LEU  14  21.068   5.210   0.311
  105   HD23  LEU  14          HD23      LEU  14  20.290   6.123  -1.004
  106    H    LYS  15           H        LYS  15  21.244   1.049  -0.408
  107    HA   LYS  15           HA       LYS  15  24.088   1.209  -0.042
  108    HB2  LYS  15           HB2      LYS  15  21.761  -0.034   1.113
  109    HB3  LYS  15           HB3      LYS  15  23.023  -1.280   0.970
  110    HG2  LYS  15           HG3      LYS  15  24.059  -0.405   2.778
  111    HG3  LYS  15           HG2      LYS  15  24.298   1.116   1.884
  112    HD2  LYS  15           HD2      LYS  15  21.696   0.427   3.306
  113    HD3  LYS  15           HD3      LYS  15  23.019   1.320   4.093
  114    HE2  LYS  15           HE3      LYS  15  22.896   3.078   2.368
  115    HE3  LYS  15           HE2      LYS  15  21.620   2.170   1.505
  116    HZ1  LYS  15           HZ1      LYS  15  20.682   3.798   3.038
  117    HZ2  LYS  15           HZ2      LYS  15  21.476   3.111   4.310
  118    HZ3  LYS  15           HZ3      LYS  15  20.296   2.270   3.523
  119    H    ASN  16           H        ASN  16  22.118  -0.938  -2.050
  120    HA   ASN  16           HA       ASN  16  24.168  -2.984  -2.459
  121    HB2  ASN  16           HB2      ASN  16  21.731  -2.054  -4.051
  122    HB3  ASN  16           HB3      ASN  16  22.633  -3.549  -4.393
  123   HD21  ASN  16          HD21      ASN  16  19.802  -3.377  -3.512
  124   HD22  ASN  16          HD22      ASN  16  19.724  -4.211  -1.976
  125    H    LEU  17           H        LEU  17  23.325   0.068  -4.119
  126    HA   LEU  17           HA       LEU  17  25.141  -0.410  -6.387
  127    HB2  LEU  17           HB3      LEU  17  23.440   1.784  -5.229
  128    HB3  LEU  17           HB2      LEU  17  24.720   2.266  -6.367
  129    HG   LEU  17           HG       LEU  17  22.556   1.819  -7.527
  130   HD11  LEU  17          HD11      LEU  17  24.704   1.431  -8.707
  131   HD12  LEU  17          HD12      LEU  17  23.464   0.270  -9.236
  132   HD13  LEU  17          HD13      LEU  17  24.735  -0.242  -8.100
  133   HD21  LEU  17          HD21      LEU  17  21.540  -0.346  -7.516
  134   HD22  LEU  17          HD22      LEU  17  22.956  -1.090  -6.735
  135   HD23  LEU  17          HD23      LEU  17  21.905   0.009  -5.811
  136    H    ILE  18           H        ILE  18  25.353   1.283  -3.254
  137    HA   ILE  18           HA       ILE  18  28.120   2.228  -3.886
  138    HB   ILE  18           HB       ILE  18  27.853   3.288  -1.633
  139   HG12  ILE  18          HG12      ILE  18  24.999   2.504  -1.417
  140   HG13  ILE  18          HG13      ILE  18  26.149   1.179  -1.113
  141   HG21  ILE  18          HG21      ILE  18  26.969   4.415  -3.658
  142   HG22  ILE  18          HG22      ILE  18  25.418   3.566  -3.450
  143   HG23  ILE  18          HG23      ILE  18  25.951   4.754  -2.237
  144   HD11  ILE  18          HD11      ILE  18  25.628   2.403   0.981
  145   HD12  ILE  18          HD12      ILE  18  27.341   2.593   0.539
  146   HD13  ILE  18          HD13      ILE  18  26.191   3.918   0.236
  147    H    LYS  19           H        LYS  19  26.549  -0.476  -2.338
  148    HA   LYS  19           HA       LYS  19  29.259  -1.508  -1.527
  149    HB2  LYS  19           HB3      LYS  19  27.785  -0.205   0.298
  150    HB3  LYS  19           HB2      LYS  19  26.944  -1.771   0.390
  151    HG2  LYS  19           HG2      LYS  19  29.930  -1.873   0.393
  152    HG3  LYS  19           HG3      LYS  19  29.165  -1.193   1.849
  153    HD2  LYS  19           HD3      LYS  19  27.571  -3.327   1.565
  154    HD3  LYS  19           HD2      LYS  19  28.995  -3.974   0.715
  155    HE2  LYS  19           HE3      LYS  19  30.201  -4.166   2.653
  156    HE3  LYS  19           HE2      LYS  19  29.617  -2.597   3.282
  157    HZ1  LYS  19           HZ1      LYS  19  28.675  -4.462   4.513
  158    HZ2  LYS  19           HZ2      LYS  19  27.486  -3.651   3.709
  159    HZ3  LYS  19           HZ3      LYS  19  28.033  -5.095   3.132
  160    HN1  NH2  20           H1       NH2  20  27.653  -2.374  -3.754
  161    HN2  NH2  20           H2       NH2  20  27.025  -3.966  -3.390
  Start of MODEL    7
    1    H1   ACE   1          HH31      ACE   1  -1.096   0.007   0.140
    2    H2   ACE   1          HH32      ACE   1  -1.670  -1.247   1.266
    3    H3   ACE   1          HH33      ACE   1  -1.068   0.306   1.894
    4    H    ILE   2           H        ILE   2   0.165  -1.670   3.077
    5    HA   ILE   2           HA       ILE   2   2.331  -2.570   3.477
    6    HB   ILE   2           HB       ILE   2   2.125  -2.995   0.454
    7   HG12  ILE   2          HG13      ILE   2   1.276  -4.830   2.738
    8   HG13  ILE   2          HG12      ILE   2   0.150  -3.804   1.818
    9   HG21  ILE   2          HG21      ILE   2   3.404  -5.181   1.564
   10   HG22  ILE   2          HG22      ILE   2   4.228  -3.810   0.782
   11   HG23  ILE   2          HG23      ILE   2   4.037  -3.842   2.552
   12   HD11  ILE   2          HD11      ILE   2   0.206  -6.107   0.899
   13   HD12  ILE   2          HD12      ILE   2   1.961  -5.961   0.639
   14   HD13  ILE   2          HD13      ILE   2   0.836  -4.934  -0.281
   15    H    PHE   3           H        PHE   3   2.023   0.353   2.571
   16    HA   PHE   3           HA       PHE   3   4.309   1.044   0.914
   17    HB2  PHE   3           HB3      PHE   3   2.338   2.489   1.422
   18    HB3  PHE   3           HB2      PHE   3   2.851   2.578   3.124
   19    HD1  PHE   3           HD1      PHE   3   4.447   2.977  -0.268
   20    HD2  PHE   3           HD2      PHE   3   3.976   4.517   3.713
   21    HE1  PHE   3           HE1      PHE   3   5.960   4.863  -0.821
   22    HE2  PHE   3           HE2      PHE   3   5.489   6.406   3.162
   23    HZ   PHE   3           HZ       PHE   3   6.478   6.580   0.894
   24    H    GLY   4           H        GLY   4   3.876   0.661   4.446
   25    HA2  GLY   4           HA2      GLY   4   6.458   1.674   5.222
   26    HA3  GLY   4           HA3      GLY   4   5.492   0.510   6.160
   27    H    ALA   5           H        ALA   5   5.545  -1.254   3.588
   28    HA   ALA   5           HA       ALA   5   8.063  -2.675   4.368
   29    HB1  ALA   5           HB1      ALA   5   6.865  -4.501   3.674
   30    HB2  ALA   5           HB2      ALA   5   5.473  -3.392   3.656
   31    HB3  ALA   5           HB3      ALA   5   6.378  -3.708   2.156
   32    H    ILE   6           H        ILE   6   6.832  -0.623   1.799
   33    HA   ILE   6           HA       ILE   6   8.884  -1.499  -0.169
   34    HB   ILE   6           HB       ILE   6   6.926   0.850  -0.055
   35   HG12  ILE   6          HG13      ILE   6   6.673  -1.742  -1.625
   36   HG13  ILE   6          HG12      ILE   6   6.015  -1.562   0.019
   37   HG21  ILE   6          HG21      ILE   6   8.794   1.214  -1.646
   38   HG22  ILE   6          HG22      ILE   6   8.470  -0.370  -2.388
   39   HG23  ILE   6          HG23      ILE   6   7.264   0.933  -2.510
   40   HD11  ILE   6          HD11      ILE   6   4.291  -1.056  -1.690
   41   HD12  ILE   6          HD12      ILE   6   5.340   0.210  -2.372
   42   HD13  ILE   6          HD13      ILE   6   4.682   0.389  -0.728
   43    H    TRP   7           H        TRP   7   8.473   1.036   2.273
   44    HA   TRP   7           HA       TRP   7  10.525   2.840   1.296
   45    HB2  TRP   7           HB2      TRP   7   8.729   2.524   3.512
   46    HB3  TRP   7           HB3      TRP   7  10.355   2.804   4.181
   47    HD1  TRP   7           HD1      TRP   7   7.479   4.686   3.107
   48    HE1  TRP   7           HE1      TRP   7   8.062   7.107   2.437
   49    HE3  TRP   7           HE3      TRP   7  12.543   4.207   2.662
   50    HZ2  TRP   7           HZ2      TRP   7  10.431   8.620   1.788
   51    HZ3  TRP   7           HZ3      TRP   7  13.939   6.150   2.017
   52    HH2  TRP   7           HH2      TRP   7  12.891   8.354   1.578
   53    HA   PRO   8           HA       PRO   8  13.391   0.452   4.502
   54    HB2  PRO   8           HB3      PRO   8  12.136  -2.253   4.230
   55    HB3  PRO   8           HB2      PRO   8  12.811  -1.459   5.681
   56    HG2  PRO   8           HG2      PRO   8  10.150  -1.744   5.248
   57    HG3  PRO   8           HG3      PRO   8  10.850  -0.376   6.152
   58    HD2  PRO   8           HD2      PRO   8   9.661  -0.438   3.429
   59    HD3  PRO   8           HD3      PRO   8   9.806   0.914   4.592
   60    H    LEU   9           H        LEU   9  11.794  -1.038   1.698
   61    HA   LEU   9           HA       LEU   9  14.242  -2.418   0.772
   62    HB2  LEU   9           HB2      LEU   9  11.393  -2.046   0.034
   63    HB3  LEU   9           HB3      LEU   9  12.476  -2.187  -1.371
   64    HG   LEU   9           HG       LEU   9  11.642  -4.410  -0.640
   65   HD11  LEU   9          HD11      LEU   9  13.681  -5.468  -0.944
   66   HD12  LEU   9          HD12      LEU   9  14.522  -4.411   0.215
   67   HD13  LEU   9          HD13      LEU   9  14.141  -3.815  -1.419
   68   HD21  LEU   9          HD21      LEU   9  11.853  -5.219   1.524
   69   HD22  LEU   9          HD22      LEU   9  11.676  -3.482   1.873
   70   HD23  LEU   9          HD23      LEU   9  13.292  -4.229   1.867
   71    H    ALA  10           H        ALA  10  12.721   0.742   0.322
   72    HA   ALA  10           HA       ALA  10  14.104   1.509  -2.114
   73    HB1  ALA  10           HB1      ALA  10  13.046   3.533  -1.689
   74    HB2  ALA  10           HB2      ALA  10  12.126   2.515  -0.556
   75    HB3  ALA  10           HB3      ALA  10  13.476   3.511   0.038
   76    H    LEU  11           H        LEU  11  14.897   1.924   1.359
   77    HA   LEU  11           HA       LEU  11  17.360   3.412   0.898
   78    HB2  LEU  11           HB2      LEU  11  16.273   1.671   3.160
   79    HB3  LEU  11           HB3      LEU  11  17.767   2.627   3.304
   80    HG   LEU  11           HG       LEU  11  15.348   4.057   2.270
   81   HD11  LEU  11          HD11      LEU  11  14.412   2.697   4.119
   82   HD12  LEU  11          HD12      LEU  11  15.704   3.276   5.198
   83   HD13  LEU  11          HD13      LEU  11  14.492   4.418   4.567
   84   HD21  LEU  11          HD21      LEU  11  16.321   5.861   3.667
   85   HD22  LEU  11          HD22      LEU  11  17.543   5.169   2.574
   86   HD23  LEU  11          HD23      LEU  11  17.533   4.719   4.296
   87    H    GLY  12           H        GLY  12  16.534  -0.018   0.846
   88    HA2  GLY  12           HA2      GLY  12  19.288  -0.977   1.134
   89    HA3  GLY  12           HA3      GLY  12  17.907  -1.925   0.531
   90    H    ALA  13           H        ALA  13  17.211  -0.023  -1.586
   91    HA   ALA  13           HA       ALA  13  18.788  -1.074  -3.743
   92    HB1  ALA  13           HB1      ALA  13  17.645   0.741  -5.024
   93    HB2  ALA  13           HB2      ALA  13  16.521  -0.073  -3.911
   94    HB3  ALA  13           HB3      ALA  13  17.190   1.522  -3.491
   95    H    LEU  14           H        LEU  14  19.286   1.727  -1.642
   96    HA   LEU  14           HA       LEU  14  21.354   2.951  -3.371
   97    HB2  LEU  14           HB2      LEU  14  19.936   4.247  -1.819
   98    HB3  LEU  14           HB3      LEU  14  20.531   3.289  -0.442
   99    HG   LEU  14           HG       LEU  14  22.854   4.095  -0.945
  100   HD11  LEU  14          HD11      LEU  14  22.505   4.568  -3.355
  101   HD12  LEU  14          HD12      LEU  14  23.113   6.007  -2.502
  102   HD13  LEU  14          HD13      LEU  14  21.390   5.890  -2.933
  103   HD21  LEU  14          HD21      LEU  14  21.435   5.247   0.733
  104   HD22  LEU  14          HD22      LEU  14  22.489   6.403  -0.117
  105   HD23  LEU  14          HD23      LEU  14  20.766   6.286  -0.549
  106    H    LYS  15           H        LYS  15  21.328   1.065  -0.308
  107    HA   LYS  15           HA       LYS  15  24.189   1.036   0.077
  108    HB2  LYS  15           HB3      LYS  15  22.127  -1.109   0.785
  109    HB3  LYS  15           HB2      LYS  15  23.674  -0.810   1.607
  110    HG2  LYS  15           HG2      LYS  15  21.726   1.474   1.401
  111    HG3  LYS  15           HG3      LYS  15  21.372   0.175   2.565
  112    HD2  LYS  15           HD2      LYS  15  22.674   1.781   3.772
  113    HD3  LYS  15           HD3      LYS  15  23.796   0.454   3.381
  114    HE2  LYS  15           HE3      LYS  15  24.910   1.704   1.739
  115    HE3  LYS  15           HE2      LYS  15  23.507   2.775   1.454
  116    HZ1  LYS  15           HZ1      LYS  15  25.201   3.857   2.811
  117    HZ2  LYS  15           HZ2      LYS  15  25.115   2.657   3.939
  118    HZ3  LYS  15           HZ3      LYS  15  23.819   3.645   3.686
  119    H    ASN  16           H        ASN  16  22.033  -0.915  -1.954
  120    HA   ASN  16           HA       ASN  16  24.062  -2.968  -2.562
  121    HB2  ASN  16           HB2      ASN  16  21.386  -2.069  -3.706
  122    HB3  ASN  16           HB3      ASN  16  22.310  -3.410  -4.424
  123   HD21  ASN  16          HD21      ASN  16  19.784  -2.894  -2.363
  124   HD22  ASN  16          HD22      ASN  16  19.995  -4.257  -1.286
  125    H    LEU  17           H        LEU  17  23.058   0.147  -3.925
  126    HA   LEU  17           HA       LEU  17  24.460  -0.176  -6.478
  127    HB2  LEU  17           HB3      LEU  17  22.567   1.401  -5.962
  128    HB3  LEU  17           HB2      LEU  17  23.662   2.321  -4.902
  129    HG   LEU  17           HG       LEU  17  24.773   1.809  -7.595
  130   HD11  LEU  17          HD11      LEU  17  22.381   2.073  -8.199
  131   HD12  LEU  17          HD12      LEU  17  23.332   3.484  -8.721
  132   HD13  LEU  17          HD13      LEU  17  22.313   3.586  -7.265
  133   HD21  LEU  17          HD21      LEU  17  25.772   3.338  -5.914
  134   HD22  LEU  17          HD22      LEU  17  25.309   4.222  -7.388
  135   HD23  LEU  17          HD23      LEU  17  24.290   4.324  -5.933
  136    H    ILE  18           H        ILE  18  25.364   0.953  -3.238
  137    HA   ILE  18           HA       ILE  18  27.954   2.062  -4.195
  138    HB   ILE  18           HB       ILE  18  28.254   2.454  -1.744
  139   HG12  ILE  18          HG12      ILE  18  25.497   1.300  -1.293
  140   HG13  ILE  18          HG13      ILE  18  26.916   0.227  -1.257
  141   HG21  ILE  18          HG21      ILE  18  26.937   4.052  -3.108
  142   HG22  ILE  18          HG22      ILE  18  25.461   3.112  -2.781
  143   HG23  ILE  18          HG23      ILE  18  26.300   3.944  -1.450
  144   HD11  ILE  18          HD11      ILE  18  27.953   1.978   0.357
  145   HD12  ILE  18          HD12      ILE  18  26.664   0.932   0.997
  146   HD13  ILE  18          HD13      ILE  18  26.296   2.607   0.521
  147    H    LYS  19           H        LYS  19  26.704  -1.000  -3.040
  148    HA   LYS  19           HA       LYS  19  29.517  -2.003  -2.566
  149    HB2  LYS  19           HB2      LYS  19  27.722  -2.282  -0.829
  150    HB3  LYS  19           HB3      LYS  19  26.772  -3.228  -2.000
  151    HG2  LYS  19           HG2      LYS  19  29.596  -4.105  -1.638
  152    HG3  LYS  19           HG3      LYS  19  28.539  -4.335  -0.225
  153    HD2  LYS  19           HD2      LYS  19  26.882  -5.499  -1.691
  154    HD3  LYS  19           HD3      LYS  19  28.003  -5.325  -3.062
  155    HE2  LYS  19           HE3      LYS  19  29.369  -7.010  -2.309
  156    HE3  LYS  19           HE2      LYS  19  29.196  -6.521  -0.598
  157    HZ1  LYS  19           HZ1      LYS  19  28.017  -8.589  -1.063
  158    HZ2  LYS  19           HZ2      LYS  19  26.947  -7.401  -0.656
  159    HZ3  LYS  19           HZ3      LYS  19  27.117  -7.854  -2.233
  160    HN1  NH2  20           H1       NH2  20  30.388  -3.617  -3.948
  161    HN2  NH2  20           H2       NH2  20  29.529  -4.280  -5.321
  Start of MODEL    8
    1    H1   ACE   1          HH31      ACE   1  -1.507  -1.176   5.164
    2    H2   ACE   1          HH32      ACE   1  -1.049  -0.066   3.850
    3    H3   ACE   1          HH33      ACE   1  -1.794  -1.636   3.469
    4    H    ILE   2           H        ILE   2   0.430  -1.356   2.123
    5    HA   ILE   2           HA       ILE   2   2.532  -2.824   3.753
    6    HB   ILE   2           HB       ILE   2   1.797  -2.997   0.789
    7   HG12  ILE   2          HG12      ILE   2   1.380  -5.476   2.037
    8   HG13  ILE   2          HG13      ILE   2   0.744  -4.293   3.206
    9   HG21  ILE   2          HG21      ILE   2   3.227  -5.251   1.385
   10   HG22  ILE   2          HG22      ILE   2   3.952  -3.772   0.709
   11   HG23  ILE   2          HG23      ILE   2   4.015  -4.074   2.463
   12   HD11  ILE   2          HD11      ILE   2  -1.010  -4.987   1.596
   13   HD12  ILE   2          HD12      ILE   2  -0.623  -3.259   1.414
   14   HD13  ILE   2          HD13      ILE   2   0.013  -4.442   0.246
   15    H    PHE   3           H        PHE   3   1.993   0.187   2.796
   16    HA   PHE   3           HA       PHE   3   4.171   0.868   1.011
   17    HB2  PHE   3           HB2      PHE   3   2.157   2.254   1.700
   18    HB3  PHE   3           HB3      PHE   3   2.936   2.499   3.281
   19    HD1  PHE   3           HD1      PHE   3   4.360   4.328   3.559
   20    HD2  PHE   3           HD2      PHE   3   3.670   2.801  -0.397
   21    HE1  PHE   3           HE1      PHE   3   5.703   6.185   2.608
   22    HE2  PHE   3           HE2      PHE   3   5.014   4.657  -1.347
   23    HZ   PHE   3           HZ       PHE   3   6.029   6.350   0.155
   24    H    GLY   4           H        GLY   4   3.979   0.388   4.531
   25    HA2  GLY   4           HA3      GLY   4   6.559   1.526   5.178
   26    HA3  GLY   4           HA2      GLY   4   5.699   0.308   6.150
   27    H    ALA   5           H        ALA   5   5.677  -1.349   3.470
   28    HA   ALA   5           HA       ALA   5   8.248  -2.745   4.100
   29    HB1  ALA   5           HB1      ALA   5   7.233  -4.466   2.598
   30    HB2  ALA   5           HB2      ALA   5   5.921  -3.329   2.203
   31    HB3  ALA   5           HB3      ALA   5   6.090  -3.951   3.862
   32    H    ILE   6           H        ILE   6   6.895  -0.594   1.682
   33    HA   ILE   6           HA       ILE   6   8.897  -1.314  -0.395
   34    HB   ILE   6           HB       ILE   6   6.917   0.997  -0.079
   35   HG12  ILE   6          HG13      ILE   6   6.650  -1.528  -1.759
   36   HG13  ILE   6          HG12      ILE   6   6.008  -1.403  -0.103
   37   HG21  ILE   6          HG21      ILE   6   8.723   1.476  -1.711
   38   HG22  ILE   6          HG22      ILE   6   8.390  -0.068  -2.531
   39   HG23  ILE   6          HG23      ILE   6   7.166   1.224  -2.535
   40   HD11  ILE   6          HD11      ILE   6   4.266  -0.852  -1.778
   41   HD12  ILE   6          HD12      ILE   6   4.660   0.564  -0.775
   42   HD13  ILE   6          HD13      ILE   6   5.302   0.439  -2.431
   43    H    TRP   7           H        TRP   7   8.506   1.107   2.175
   44    HA   TRP   7           HA       TRP   7  10.519   2.973   1.249
   45    HB2  TRP   7           HB3      TRP   7   8.775   2.544   3.471
   46    HB3  TRP   7           HB2      TRP   7  10.411   2.746   4.142
   47    HD1  TRP   7           HD1      TRP   7   7.556   4.741   3.176
   48    HE1  TRP   7           HE1      TRP   7   8.180   7.196   2.687
   49    HE3  TRP   7           HE3      TRP   7  12.621   4.230   2.786
   50    HZ2  TRP   7           HZ2      TRP   7  10.578   8.721   2.196
   51    HZ3  TRP   7           HZ3      TRP   7  14.051   6.194   2.305
   52    HH2  TRP   7           HH2      TRP   7  13.037   8.438   2.007
   53    HA   PRO   8           HA       PRO   8  13.504   0.458   4.240
   54    HB2  PRO   8           HB2      PRO   8  12.288  -2.253   3.854
   55    HB3  PRO   8           HB3      PRO   8  12.983  -1.516   5.326
   56    HG2  PRO   8           HG3      PRO   8  10.318  -1.829   4.941
   57    HG3  PRO   8           HG2      PRO   8  11.019  -0.506   5.910
   58    HD2  PRO   8           HD2      PRO   8   9.759  -0.429   3.219
   59    HD3  PRO   8           HD3      PRO   8   9.918   0.857   4.452
   60    H    LEU   9           H        LEU   9  11.860  -0.884   1.387
   61    HA   LEU   9           HA       LEU   9  14.280  -2.209   0.336
   62    HB2  LEU   9           HB2      LEU   9  11.634  -2.489  -0.055
   63    HB3  LEU   9           HB3      LEU   9  11.952  -1.333  -1.370
   64    HG   LEU   9           HG       LEU   9  13.726  -3.759  -1.018
   65   HD11  LEU   9          HD11      LEU   9  11.395  -4.606  -1.061
   66   HD12  LEU   9          HD12      LEU   9  11.076  -3.651  -2.529
   67   HD13  LEU   9          HD13      LEU   9  12.244  -4.993  -2.577
   68   HD21  LEU   9          HD21      LEU   9  13.989  -3.442  -3.464
   69   HD22  LEU   9          HD22      LEU   9  14.386  -1.949  -2.580
   70   HD23  LEU   9          HD23      LEU   9  12.822  -2.099  -3.416
   71    H    ALA  10           H        ALA  10  12.814   0.999   0.131
   72    HA   ALA  10           HA       ALA  10  14.187   1.919  -2.259
   73    HB1  ALA  10           HB1      ALA  10  13.194   3.939  -1.664
   74    HB2  ALA  10           HB2      ALA  10  12.235   2.843  -0.641
   75    HB3  ALA  10           HB3      ALA  10  13.599   3.747   0.059
   76    H    LEU  11           H        LEU  11  15.027   2.004   1.223
   77    HA   LEU  11           HA       LEU  11  17.553   3.453   0.777
   78    HB2  LEU  11           HB2      LEU  11  16.228   1.893   3.026
   79    HB3  LEU  11           HB3      LEU  11  17.873   2.547   3.209
   80    HG   LEU  11           HG       LEU  11  15.557   4.278   2.276
   81   HD11  LEU  11          HD11      LEU  11  14.956   3.296   4.474
   82   HD12  LEU  11          HD12      LEU  11  15.333   5.029   4.629
   83   HD13  LEU  11          HD13      LEU  11  16.528   3.810   5.133
   84   HD21  LEU  11          HD21      LEU  11  17.034   6.078   3.132
   85   HD22  LEU  11          HD22      LEU  11  17.870   5.094   1.908
   86   HD23  LEU  11          HD23      LEU  11  18.229   4.859   3.635
   87    H    GLY  12           H        GLY  12  16.534   0.066   0.860
   88    HA2  GLY  12           HA3      GLY  12  19.208  -1.058   1.169
   89    HA3  GLY  12           HA2      GLY  12  17.783  -1.920   0.540
   90    H    ALA  13           H        ALA  13  17.293   0.072  -1.589
   91    HA   ALA  13           HA       ALA  13  18.942  -1.112  -3.673
   92    HB1  ALA  13           HB1      ALA  13  17.801   0.624  -5.060
   93    HB2  ALA  13           HB2      ALA  13  17.263   1.443  -3.574
   94    HB3  ALA  13           HB3      ALA  13  16.655  -0.184  -3.963
   95    H    LEU  14           H        LEU  14  19.302   1.720  -1.604
   96    HA   LEU  14           HA       LEU  14  21.383   2.982  -3.293
   97    HB2  LEU  14           HB3      LEU  14  19.869   4.270  -1.837
   98    HB3  LEU  14           HB2      LEU  14  20.424   3.359  -0.413
   99    HG   LEU  14           HG       LEU  14  22.740   4.224  -0.805
  100   HD11  LEU  14          HD11      LEU  14  22.522   4.613  -3.246
  101   HD12  LEU  14          HD12      LEU  14  21.349   5.914  -2.933
  102   HD13  LEU  14          HD13      LEU  14  23.040   6.094  -2.406
  103   HD21  LEU  14          HD21      LEU  14  22.264   6.548  -0.076
  104   HD22  LEU  14          HD22      LEU  14  20.573   6.366  -0.602
  105   HD23  LEU  14          HD23      LEU  14  21.196   5.388   0.749
  106    H    LYS  15           H        LYS  15  21.313   1.143  -0.198
  107    HA   LYS  15           HA       LYS  15  24.207   1.218   0.175
  108    HB2  LYS  15           HB2      LYS  15  22.146  -0.813   1.161
  109    HB3  LYS  15           HB3      LYS  15  23.717  -0.447   1.910
  110    HG2  LYS  15           HG2      LYS  15  21.763   1.809   1.496
  111    HG3  LYS  15           HG3      LYS  15  21.469   0.662   2.825
  112    HD2  LYS  15           HD3      LYS  15  22.807   2.407   3.771
  113    HD3  LYS  15           HD2      LYS  15  23.926   1.050   3.494
  114    HE2  LYS  15           HE2      LYS  15  24.994   2.123   1.716
  115    HE3  LYS  15           HE3      LYS  15  23.537   3.064   1.283
  116    HZ1  LYS  15           HZ1      LYS  15  25.173   4.431   2.436
  117    HZ2  LYS  15           HZ2      LYS  15  25.138   3.428   3.744
  118    HZ3  LYS  15           HZ3      LYS  15  23.797   4.295   3.335
  119    H    ASN  16           H        ASN  16  22.026  -0.838  -1.686
  120    HA   ASN  16           HA       ASN  16  24.044  -2.980  -2.075
  121    HB2  ASN  16           HB2      ASN  16  21.353  -2.247  -3.323
  122    HB3  ASN  16           HB3      ASN  16  22.255  -3.725  -3.737
  123   HD21  ASN  16          HD21      ASN  16  20.670  -5.175  -2.791
  124   HD22  ASN  16          HD22      ASN  16  20.429  -5.254  -1.060
  125    H    LEU  17           H        LEU  17  23.046   0.009  -3.659
  126    HA   LEU  17           HA       LEU  17  24.354  -0.605  -6.233
  127    HB2  LEU  17           HB2      LEU  17  22.417   0.951  -5.880
  128    HB3  LEU  17           HB3      LEU  17  23.479   2.024  -4.937
  129    HG   LEU  17           HG       LEU  17  24.499   1.228  -7.624
  130   HD11  LEU  17          HD11      LEU  17  22.090   1.574  -8.101
  131   HD12  LEU  17          HD12      LEU  17  23.073   2.893  -8.781
  132   HD13  LEU  17          HD13      LEU  17  22.154   3.151  -7.278
  133   HD21  LEU  17          HD21      LEU  17  25.675   2.817  -6.124
  134   HD22  LEU  17          HD22      LEU  17  24.244   3.876  -6.125
  135   HD23  LEU  17          HD23      LEU  17  25.162   3.618  -7.628
  136    H    ILE  18           H        ILE  18  25.313   0.831  -3.145
  137    HA   ILE  18           HA       ILE  18  27.778   2.049  -4.247
  138    HB   ILE  18           HB       ILE  18  28.208   2.454  -1.816
  139   HG12  ILE  18          HG12      ILE  18  25.563   1.117  -1.214
  140   HG13  ILE  18          HG13      ILE  18  27.059   0.153  -1.245
  141   HG21  ILE  18          HG21      ILE  18  26.710   3.968  -3.088
  142   HG22  ILE  18          HG22      ILE  18  26.186   3.819  -1.394
  143   HG23  ILE  18          HG23      ILE  18  25.320   2.937  -2.674
  144   HD11  ILE  18          HD11      ILE  18  28.086   1.717   0.397
  145   HD12  ILE  18          HD12      ILE  18  26.604   0.971   1.042
  146   HD13  ILE  18          HD13      ILE  18  26.569   2.647   0.445
  147    H    LYS  19           H        LYS  19  26.811  -1.091  -3.023
  148    HA   LYS  19           HA       LYS  19  29.412  -2.250  -3.758
  149    HB2  LYS  19           HB2      LYS  19  28.867  -1.261  -1.019
  150    HB3  LYS  19           HB3      LYS  19  29.403  -2.957  -1.061
  151    HG2  LYS  19           HG3      LYS  19  31.527  -2.283  -1.425
  152    HG3  LYS  19           HG2      LYS  19  31.014  -1.456  -2.915
  153    HD2  LYS  19           HD2      LYS  19  30.113   0.337  -1.096
  154    HD3  LYS  19           HD3      LYS  19  31.470  -0.349  -0.171
  155    HE2  LYS  19           HE3      LYS  19  33.064   0.273  -1.845
  156    HE3  LYS  19           HE2      LYS  19  31.788   0.586  -3.059
  157    HZ1  LYS  19           HZ1      LYS  19  32.534   2.634  -1.993
  158    HZ2  LYS  19           HZ2      LYS  19  32.139   2.044  -0.504
  159    HZ3  LYS  19           HZ3      LYS  19  30.956   2.336  -1.616
  160    HN1  NH2  20           H1       NH2  20  27.424  -3.376  -4.895
  161    HN2  NH2  20           H2       NH2  20  26.716  -4.728  -4.038
  Start of MODEL    9
    1    H1   ACE   1          HH31      ACE   1  -1.728  -0.492   4.447
    2    H2   ACE   1          HH32      ACE   1  -1.153   0.460   3.057
    3    H3   ACE   1          HH33      ACE   1  -1.915  -1.127   2.794
    4    H    ILE   2           H        ILE   2   0.401  -1.040   1.582
    5    HA   ILE   2           HA       ILE   2   2.305  -2.461   3.470
    6    HB   ILE   2           HB       ILE   2   1.891  -2.646   0.443
    7   HG12  ILE   2          HG13      ILE   2   1.260  -4.789   2.493
    8   HG13  ILE   2          HG12      ILE   2   0.068  -3.527   2.103
    9   HG21  ILE   2          HG21      ILE   2   3.199  -4.930   1.237
   10   HG22  ILE   2          HG22      ILE   2   3.913  -3.726   2.336
   11   HG23  ILE   2          HG23      ILE   2   4.012  -3.492   0.574
   12   HD11  ILE   2          HD11      ILE   2  -0.269  -5.537   0.690
   13   HD12  ILE   2          HD12      ILE   2   0.209  -4.134  -0.296
   14   HD13  ILE   2          HD13      ILE   2   1.402  -5.396   0.093
   15    H    PHE   3           H        PHE   3   2.007   0.544   2.644
   16    HA   PHE   3           HA       PHE   3   4.293   1.222   0.988
   17    HB2  PHE   3           HB2      PHE   3   2.327   2.675   1.610
   18    HB3  PHE   3           HB3      PHE   3   2.969   2.771   3.268
   19    HD1  PHE   3           HD1      PHE   3   4.291   3.108  -0.245
   20    HD2  PHE   3           HD2      PHE   3   4.197   4.681   3.750
   21    HE1  PHE   3           HE1      PHE   3   5.796   4.953  -0.938
   22    HE2  PHE   3           HE2      PHE   3   5.703   6.527   3.058
   23    HZ   PHE   3           HZ       PHE   3   6.501   6.664   0.715
   24    H    GLY   4           H        GLY   4   3.898   0.684   4.497
   25    HA2  GLY   4           HA2      GLY   4   6.502   1.647   5.289
   26    HA3  GLY   4           HA3      GLY   4   5.532   0.456   6.188
   27    H    ALA   5           H        ALA   5   5.538  -1.172   3.515
   28    HA   ALA   5           HA       ALA   5   8.030  -2.681   4.212
   29    HB1  ALA   5           HB1      ALA   5   6.811  -4.450   3.405
   30    HB2  ALA   5           HB2      ALA   5   6.302  -3.550   1.956
   31    HB3  ALA   5           HB3      ALA   5   5.433  -3.327   3.493
   32    H    ILE   6           H        ILE   6   6.845  -0.456   1.775
   33    HA   ILE   6           HA       ILE   6   8.854  -1.270  -0.260
   34    HB   ILE   6           HB       ILE   6   6.993   1.143   0.019
   35   HG12  ILE   6          HG12      ILE   6   6.636  -1.399  -1.626
   36   HG13  ILE   6          HG13      ILE   6   5.915  -1.164  -0.015
   37   HG21  ILE   6          HG21      ILE   6   8.856   1.518  -1.575
   38   HG22  ILE   6          HG22      ILE   6   7.304   1.353  -2.431
   39   HG23  ILE   6          HG23      ILE   6   8.454  -0.006  -2.402
   40   HD11  ILE   6          HD11      ILE   6   4.307  -0.564  -1.805
   41   HD12  ILE   6          HD12      ILE   6   4.744   0.862  -0.835
   42   HD13  ILE   6          HD13      ILE   6   5.465   0.627  -2.445
   43    H    TRP   7           H        TRP   7   8.538   1.138   2.326
   44    HA   TRP   7           HA       TRP   7  10.663   2.906   1.452
   45    HB2  TRP   7           HB2      TRP   7   8.837   2.579   3.620
   46    HB3  TRP   7           HB3      TRP   7  10.461   2.677   4.342
   47    HD1  TRP   7           HD1      TRP   7   7.767   4.849   3.293
   48    HE1  TRP   7           HE1      TRP   7   8.560   7.261   2.841
   49    HE3  TRP   7           HE3      TRP   7  12.799   4.019   3.066
   50    HZ2  TRP   7           HZ2      TRP   7  11.066   8.633   2.435
   51    HZ3  TRP   7           HZ3      TRP   7  14.366   5.890   2.646
   52    HH2  TRP   7           HH2      TRP   7  13.507   8.196   2.328
   53    HA   PRO   8           HA       PRO   8  13.423   0.220   4.518
   54    HB2  PRO   8           HB2      PRO   8  12.069  -2.415   4.057
   55    HB3  PRO   8           HB3      PRO   8  12.769  -1.740   5.557
   56    HG2  PRO   8           HG3      PRO   8  10.102  -1.893   5.109
   57    HG3  PRO   8           HG2      PRO   8  10.855  -0.621   6.107
   58    HD2  PRO   8           HD3      PRO   8   9.674  -0.457   3.385
   59    HD3  PRO   8           HD2      PRO   8   9.855   0.815   4.629
   60    H    LEU   9           H        LEU   9  11.792  -1.014   1.609
   61    HA   LEU   9           HA       LEU   9  14.195  -2.415   0.603
   62    HB2  LEU   9           HB2      LEU   9  11.486  -2.514   0.173
   63    HB3  LEU   9           HB3      LEU   9  12.001  -1.552  -1.233
   64    HG   LEU   9           HG       LEU   9  13.415  -4.126  -0.458
   65   HD11  LEU   9          HD11      LEU   9  11.012  -4.638  -0.791
   66   HD12  LEU   9          HD12      LEU   9  11.993  -5.272  -2.134
   67   HD13  LEU   9          HD13      LEU   9  11.046  -3.781  -2.351
   68   HD21  LEU   9          HD21      LEU   9  14.550  -2.571  -2.023
   69   HD22  LEU   9          HD22      LEU   9  13.111  -2.574  -3.070
   70   HD23  LEU   9          HD23      LEU   9  14.058  -4.066  -2.854
   71    H    ALA  10           H        ALA  10  12.870   0.838   0.455
   72    HA   ALA  10           HA       ALA  10  14.289   1.692  -1.961
   73    HB1  ALA  10           HB1      ALA  10  13.649   3.945  -1.088
   74    HB2  ALA  10           HB2      ALA  10  12.288   2.803  -0.990
   75    HB3  ALA  10           HB3      ALA  10  13.218   3.206   0.473
   76    H    LEU  11           H        LEU  11  15.115   1.459   1.475
   77    HA   LEU  11           HA       LEU  11  17.572   3.103   1.185
   78    HB2  LEU  11           HB2      LEU  11  16.331   1.325   3.329
   79    HB3  LEU  11           HB3      LEU  11  17.882   2.166   3.567
   80    HG   LEU  11           HG       LEU  11  15.286   3.556   2.772
   81   HD11  LEU  11          HD11      LEU  11  15.130   2.582   5.050
   82   HD12  LEU  11          HD12      LEU  11  16.672   3.356   5.485
   83   HD13  LEU  11          HD13      LEU  11  15.246   4.357   5.121
   84   HD21  LEU  11          HD21      LEU  11  17.377   4.706   2.089
   85   HD22  LEU  11          HD22      LEU  11  16.557   5.595   3.394
   86   HD23  LEU  11          HD23      LEU  11  17.983   4.595   3.760
   87    H    GLY  12           H        GLY  12  16.659  -0.309   1.017
   88    HA2  GLY  12           HA2      GLY  12  19.440  -1.274   1.243
   89    HA3  GLY  12           HA3      GLY  12  18.025  -2.245   0.772
   90    H    ALA  13           H        ALA  13  17.181  -0.434  -1.367
   91    HA   ALA  13           HA       ALA  13  18.718  -1.556  -3.554
   92    HB1  ALA  13           HB1      ALA  13  17.332   0.042  -4.883
   93    HB2  ALA  13           HB2      ALA  13  16.355  -0.799  -3.655
   94    HB3  ALA  13           HB3      ALA  13  16.877   0.881  -3.380
   95    H    LEU  14           H        LEU  14  19.092   1.367  -1.621
   96    HA   LEU  14           HA       LEU  14  20.960   2.628  -3.572
   97    HB2  LEU  14           HB2      LEU  14  19.430   3.955  -2.163
   98    HB3  LEU  14           HB3      LEU  14  20.121   3.230  -0.691
   99    HG   LEU  14           HG       LEU  14  22.350   4.196  -1.313
  100   HD11  LEU  14          HD11      LEU  14  21.960   4.333  -3.757
  101   HD12  LEU  14          HD12      LEU  14  22.423   5.918  -3.093
  102   HD13  LEU  14          HD13      LEU  14  20.721   5.582  -3.489
  103   HD21  LEU  14          HD21      LEU  14  20.823   5.400   0.227
  104   HD22  LEU  14          HD22      LEU  14  21.759   6.541  -0.767
  105   HD23  LEU  14          HD23      LEU  14  20.057   6.205  -1.163
  106    H    LYS  15           H        LYS  15  21.140   1.128  -0.308
  107    HA   LYS  15           HA       LYS  15  24.012   1.407  -0.022
  108    HB2  LYS  15           HB3      LYS  15  22.145  -0.744   1.092
  109    HB3  LYS  15           HB2      LYS  15  23.684  -0.203   1.798
  110    HG2  LYS  15           HG2      LYS  15  21.547   1.859   1.310
  111    HG3  LYS  15           HG3      LYS  15  21.347   0.747   2.684
  112    HD2  LYS  15           HD2      LYS  15  22.544   2.627   3.553
  113    HD3  LYS  15           HD3      LYS  15  23.764   1.351   3.326
  114    HE2  LYS  15           HE2      LYS  15  24.729   2.422   1.479
  115    HE3  LYS  15           HE3      LYS  15  23.211   3.264   1.053
  116    HZ1  LYS  15           HZ1      LYS  15  24.783   4.753   2.140
  117    HZ2  LYS  15           HZ2      LYS  15  23.434   4.558   3.069
  118    HZ3  LYS  15           HZ3      LYS  15  24.833   3.782   3.472
  119    H    ASN  16           H        ASN  16  22.026  -0.791  -1.886
  120    HA   ASN  16           HA       ASN  16  24.046  -2.932  -2.088
  121    HB2  ASN  16           HB2      ASN  16  21.402  -2.147  -3.300
  122    HB3  ASN  16           HB3      ASN  16  22.385  -3.350  -4.168
  123   HD21  ASN  16          HD21      ASN  16  22.181  -2.873  -0.591
  124   HD22  ASN  16          HD22      ASN  16  21.521  -4.461  -0.272
  125    H    LEU  17           H        LEU  17  23.102  -0.080  -4.031
  126    HA   LEU  17           HA       LEU  17  24.863  -0.747  -6.288
  127    HB2  LEU  17           HB3      LEU  17  23.172   1.531  -5.290
  128    HB3  LEU  17           HB2      LEU  17  24.417   1.917  -6.502
  129    HG   LEU  17           HG       LEU  17  22.224   1.347  -7.554
  130   HD11  LEU  17          HD11      LEU  17  24.344   0.879  -8.757
  131   HD12  LEU  17          HD12      LEU  17  23.105  -0.340  -9.143
  132   HD13  LEU  17          HD13      LEU  17  24.415  -0.732  -8.003
  133   HD21  LEU  17          HD21      LEU  17  21.242  -0.823  -7.323
  134   HD22  LEU  17          HD22      LEU  17  21.644  -0.309  -5.667
  135   HD23  LEU  17          HD23      LEU  17  22.688  -1.474  -6.515
  136    H    ILE  18           H        ILE  18  25.167   1.160  -3.301
  137    HA   ILE  18           HA       ILE  18  27.889   2.110  -4.111
  138    HB   ILE  18           HB       ILE  18  27.689   3.364  -1.976
  139   HG12  ILE  18          HG13      ILE  18  25.055   2.897  -1.140
  140   HG13  ILE  18          HG12      ILE  18  25.696   1.267  -1.458
  141   HG21  ILE  18          HG21      ILE  18  25.663   4.675  -2.546
  142   HG22  ILE  18          HG22      ILE  18  25.115   3.361  -3.615
  143   HG23  ILE  18          HG23      ILE  18  26.597   4.268  -4.006
  144   HD11  ILE  18          HD11      ILE  18  27.827   2.351  -0.162
  145   HD12  ILE  18          HD12      ILE  18  26.511   3.275   0.600
  146   HD13  ILE  18          HD13      ILE  18  26.512   1.497   0.680
  147    H    LYS  19           H        LYS  19  26.387  -0.426  -2.204
  148    HA   LYS  19           HA       LYS  19  29.157  -1.338  -1.393
  149    HB2  LYS  19           HB2      LYS  19  27.087  -0.245   0.263
  150    HB3  LYS  19           HB3      LYS  19  27.170  -1.987   0.616
  151    HG2  LYS  19           HG3      LYS  19  29.624  -0.184   0.511
  152    HG3  LYS  19           HG2      LYS  19  28.729  -0.529   2.010
  153    HD2  LYS  19           HD2      LYS  19  29.033  -3.058   1.153
  154    HD3  LYS  19           HD3      LYS  19  30.447  -2.342   0.343
  155    HE2  LYS  19           HE2      LYS  19  31.209  -1.408   2.541
  156    HE3  LYS  19           HE3      LYS  19  29.812  -2.196   3.332
  157    HZ1  LYS  19           HZ1      LYS  19  31.773  -3.620   3.360
  158    HZ2  LYS  19           HZ2      LYS  19  30.577  -4.300   2.451
  159    HZ3  LYS  19           HZ3      LYS  19  31.865  -3.581   1.714
  160    HN1  NH2  20           H1       NH2  20  29.131  -3.108  -2.920
  161    HN2  NH2  20           H2       NH2  20  27.960  -4.403  -2.827
  Start of MODEL   10
    1    H1   ACE   1          HH31      ACE   1  -1.495  -2.080   3.986
    2    H2   ACE   1          HH32      ACE   1  -1.574  -2.229   2.215
    3    H3   ACE   1          HH33      ACE   1  -1.082  -0.688   2.958
    4    H    ILE   2           H        ILE   2   0.696  -1.431   1.191
    5    HA   ILE   2           HA       ILE   2   2.851  -2.887   2.762
    6    HB   ILE   2           HB       ILE   2   3.657  -3.590   0.489
    7   HG12  ILE   2          HG13      ILE   2   1.038  -2.439  -0.548
    8   HG13  ILE   2          HG12      ILE   2   2.574  -1.545  -0.637
    9   HG21  ILE   2          HG21      ILE   2   2.107  -5.036   1.776
   10   HG22  ILE   2          HG22      ILE   2   0.719  -4.195   1.047
   11   HG23  ILE   2          HG23      ILE   2   1.804  -5.169   0.027
   12   HD11  ILE   2          HD11      ILE   2   2.149  -2.795  -2.736
   13   HD12  ILE   2          HD12      ILE   2   2.055  -4.314  -1.812
   14   HD13  ILE   2          HD13      ILE   2   3.592  -3.420  -1.901
   15    H    PHE   3           H        PHE   3   2.094   0.086   2.514
   16    HA   PHE   3           HA       PHE   3   4.146   1.368   0.868
   17    HB2  PHE   3           HB2      PHE   3   2.700   2.368   3.368
   18    HB3  PHE   3           HB3      PHE   3   3.396   3.366   2.069
   19    HD1  PHE   3           HD1      PHE   3   0.383   2.326   3.294
   20    HD2  PHE   3           HD2      PHE   3   2.581   2.286  -0.394
   21    HE1  PHE   3           HE1      PHE   3  -1.745   2.156   2.029
   22    HE2  PHE   3           HE2      PHE   3   0.456   2.117  -1.661
   23    HZ   PHE   3           HZ       PHE   3  -1.707   2.054  -0.451
   24    H    GLY   4           H        GLY   4   3.904   0.599   4.372
   25    HA2  GLY   4           HA2      GLY   4   6.535   1.672   5.003
   26    HA3  GLY   4           HA3      GLY   4   5.602   0.542   6.015
   27    H    ALA   5           H        ALA   5   5.583  -1.053   3.202
   28    HA   ALA   5           HA       ALA   5   7.953  -2.709   3.998
   29    HB1  ALA   5           HB1      ALA   5   6.916  -4.290   2.366
   30    HB2  ALA   5           HB2      ALA   5   5.724  -3.707   3.553
   31    HB3  ALA   5           HB3      ALA   5   5.745  -3.030   1.907
   32    H    ILE   6           H        ILE   6   6.901  -0.505   1.442
   33    HA   ILE   6           HA       ILE   6   9.095  -1.293  -0.401
   34    HB   ILE   6           HB       ILE   6   7.109   1.030  -0.310
   35   HG12  ILE   6          HG13      ILE   6   6.059  -1.211  -0.468
   36   HG13  ILE   6          HG12      ILE   6   5.876  -0.309  -1.989
   37   HG21  ILE   6          HG21      ILE   6   8.672   1.834  -1.824
   38   HG22  ILE   6          HG22      ILE   6   7.703   0.816  -2.915
   39   HG23  ILE   6          HG23      ILE   6   9.243   0.206  -2.263
   40   HD11  ILE   6          HD11      ILE   6   6.726  -2.855  -1.963
   41   HD12  ILE   6          HD12      ILE   6   7.351  -1.677  -3.142
   42   HD13  ILE   6          HD13      ILE   6   8.297  -2.065  -1.685
   43    H    TRP   7           H        TRP   7   8.475   1.201   2.056
   44    HA   TRP   7           HA       TRP   7  10.594   3.018   1.323
   45    HB2  TRP   7           HB3      TRP   7   8.639   2.656   3.354
   46    HB3  TRP   7           HB2      TRP   7  10.200   2.789   4.201
   47    HD1  TRP   7           HD1      TRP   7   7.553   4.890   2.855
   48    HE1  TRP   7           HE1      TRP   7   8.330   7.320   2.484
   49    HE3  TRP   7           HE3      TRP   7  12.596   4.193   3.220
   50    HZ2  TRP   7           HZ2      TRP   7  10.830   8.759   2.364
   51    HZ3  TRP   7           HZ3      TRP   7  14.154   6.104   2.971
   52    HH2  TRP   7           HH2      TRP   7  13.278   8.384   2.545
   53    HA   PRO   8           HA       PRO   8  13.279   0.504   4.591
   54    HB2  PRO   8           HB3      PRO   8  12.084  -2.196   4.086
   55    HB3  PRO   8           HB2      PRO   8  12.657  -1.479   5.619
   56    HG2  PRO   8           HG2      PRO   8  10.032  -1.766   5.008
   57    HG3  PRO   8           HG3      PRO   8  10.657  -0.442   6.027
   58    HD2  PRO   8           HD3      PRO   8   9.648  -0.375   3.234
   59    HD3  PRO   8           HD2      PRO   8   9.681   0.919   4.469
   60    H    LEU   9           H        LEU   9  11.887  -0.900   1.631
   61    HA   LEU   9           HA       LEU   9  14.418  -2.169   0.790
   62    HB2  LEU   9           HB2      LEU   9  12.119  -2.930   0.164
   63    HB3  LEU   9           HB3      LEU   9  11.872  -1.409  -0.726
   64    HG   LEU   9           HG       LEU   9  14.345  -2.946  -1.397
   65   HD11  LEU   9          HD11      LEU   9  12.661  -4.755  -1.179
   66   HD12  LEU   9          HD12      LEU   9  11.556  -3.853  -2.244
   67   HD13  LEU   9          HD13      LEU   9  13.092  -4.483  -2.885
   68   HD21  LEU   9          HD21      LEU   9  13.710  -0.831  -2.527
   69   HD22  LEU   9          HD22      LEU   9  13.704  -2.195  -3.671
   70   HD23  LEU   9          HD23      LEU   9  12.168  -1.565  -3.031
   71    H    ALA  10           H        ALA  10  13.013   1.028   0.583
   72    HA   ALA  10           HA       ALA  10  14.443   1.923  -1.809
   73    HB1  ALA  10           HB1      ALA  10  13.407   3.949  -1.284
   74    HB2  ALA  10           HB2      ALA  10  13.695   3.759   0.462
   75    HB3  ALA  10           HB3      ALA  10  12.392   2.841  -0.330
   76    H    LEU  11           H        LEU  11  15.229   1.729   1.647
   77    HA   LEU  11           HA       LEU  11  17.676   3.389   1.361
   78    HB2  LEU  11           HB2      LEU  11  16.536   1.578   3.545
   79    HB3  LEU  11           HB3      LEU  11  17.955   2.631   3.757
   80    HG   LEU  11           HG       LEU  11  15.467   3.887   2.651
   81   HD11  LEU  11          HD11      LEU  11  14.601   2.470   4.493
   82   HD12  LEU  11          HD12      LEU  11  14.547   4.194   4.933
   83   HD13  LEU  11          HD13      LEU  11  15.828   3.147   5.590
   84   HD21  LEU  11          HD21      LEU  11  16.280   5.764   4.055
   85   HD22  LEU  11          HD22      LEU  11  17.569   5.159   2.988
   86   HD23  LEU  11          HD23      LEU  11  17.561   4.716   4.711
   87    H    GLY  12           H        GLY  12  16.792  -0.024   1.192
   88    HA2  GLY  12           HA3      GLY  12  19.607  -0.931   1.466
   89    HA3  GLY  12           HA2      GLY  12  18.202  -1.955   1.087
   90    H    ALA  13           H        ALA  13  17.294  -0.210  -1.124
   91    HA   ALA  13           HA       ALA  13  18.708  -1.472  -3.302
   92    HB1  ALA  13           HB1      ALA  13  17.384   0.160  -4.654
   93    HB2  ALA  13           HB2      ALA  13  16.395  -0.573  -3.368
   94    HB3  ALA  13           HB3      ALA  13  17.026   1.079  -3.172
   95    H    LEU  14           H        LEU  14  19.190   1.613  -1.617
   96    HA   LEU  14           HA       LEU  14  21.097   2.663  -3.612
   97    HB2  LEU  14           HB2      LEU  14  19.711   4.092  -2.153
   98    HB3  LEU  14           HB3      LEU  14  20.444   3.360  -0.705
   99    HG   LEU  14           HG       LEU  14  22.684   4.194  -1.475
  100   HD11  LEU  14          HD11      LEU  14  22.156   4.320  -3.895
  101   HD12  LEU  14          HD12      LEU  14  22.737   5.887  -3.285
  102   HD13  LEU  14          HD13      LEU  14  20.999   5.634  -3.574
  103   HD21  LEU  14          HD21      LEU  14  22.245   6.575  -0.935
  104   HD22  LEU  14          HD22      LEU  14  20.507   6.319  -1.221
  105   HD23  LEU  14          HD23      LEU  14  21.317   5.495   0.133
  106    H    LYS  15           H        LYS  15  21.383   1.242  -0.311
  107    HA   LYS  15           HA       LYS  15  24.238   1.356  -0.096
  108    HB2  LYS  15           HB3      LYS  15  22.037   0.390   1.333
  109    HB3  LYS  15           HB2      LYS  15  22.962  -1.088   0.973
  110    HG2  LYS  15           HG3      LYS  15  24.345  -0.548   2.680
  111    HG3  LYS  15           HG2      LYS  15  24.891   0.846   1.717
  112    HD2  LYS  15           HD2      LYS  15  22.453   0.863   3.550
  113    HD3  LYS  15           HD3      LYS  15  24.057   1.489   4.001
  114    HE2  LYS  15           HE3      LYS  15  23.004   2.501   1.402
  115    HE3  LYS  15           HE2      LYS  15  22.101   3.038   2.849
  116    HZ1  LYS  15           HZ1      LYS  15  24.025   4.449   2.419
  117    HZ2  LYS  15           HZ2      LYS  15  25.040   3.153   2.506
  118    HZ3  LYS  15           HZ3      LYS  15  24.215   3.646   3.847
  119    H    ASN  16           H        ASN  16  22.128  -0.982  -1.768
  120    HA   ASN  16           HA       ASN  16  24.258  -2.927  -2.305
  121    HB2  ASN  16           HB3      ASN  16  21.462  -2.296  -3.286
  122    HB3  ASN  16           HB2      ASN  16  22.437  -3.510  -4.148
  123   HD21  ASN  16          HD21      ASN  16  21.473  -2.645  -0.751
  124   HD22  ASN  16          HD22      ASN  16  21.333  -4.307  -0.225
  125    H    LEU  17           H        LEU  17  22.960  -0.069  -3.996
  126    HA   LEU  17           HA       LEU  17  24.377  -0.548  -6.509
  127    HB2  LEU  17           HB3      LEU  17  22.373   0.914  -6.165
  128    HB3  LEU  17           HB2      LEU  17  23.370   2.020  -5.189
  129    HG   LEU  17           HG       LEU  17  24.920   1.840  -7.420
  130   HD11  LEU  17          HD11      LEU  17  23.288   0.370  -8.572
  131   HD12  LEU  17          HD12      LEU  17  22.026   1.607  -8.362
  132   HD13  LEU  17          HD13      LEU  17  23.433   1.939  -9.401
  133   HD21  LEU  17          HD21      LEU  17  24.116   3.912  -6.321
  134   HD22  LEU  17          HD22      LEU  17  23.917   4.005  -8.087
  135   HD23  LEU  17          HD23      LEU  17  22.509   3.674  -7.048
  136    H    ILE  18           H        ILE  18  25.225   0.986  -3.429
  137    HA   ILE  18           HA       ILE  18  27.748   2.107  -4.585
  138    HB   ILE  18           HB       ILE  18  27.965   3.001  -2.257
  139   HG12  ILE  18          HG12      ILE  18  25.274   1.734  -1.662
  140   HG13  ILE  18          HG13      ILE  18  26.791   0.878  -1.295
  141   HG21  ILE  18          HG21      ILE  18  26.601   4.216  -3.937
  142   HG22  ILE  18          HG22      ILE  18  25.929   4.409  -2.300
  143   HG23  ILE  18          HG23      ILE  18  25.168   3.280  -3.447
  144   HD11  ILE  18          HD11      ILE  18  25.999   2.168   0.669
  145   HD12  ILE  18          HD12      ILE  18  27.549   2.806   0.068
  146   HD13  ILE  18          HD13      ILE  18  26.032   3.662  -0.299
  147    H    LYS  19           H        LYS  19  26.624  -0.717  -2.834
  148    HA   LYS  19           HA       LYS  19  29.317  -1.423  -1.795
  149    HB2  LYS  19           HB2      LYS  19  26.549  -2.672  -1.930
  150    HB3  LYS  19           HB3      LYS  19  27.943  -3.613  -1.349
  151    HG2  LYS  19           HG3      LYS  19  27.631  -0.873  -0.200
  152    HG3  LYS  19           HG2      LYS  19  26.406  -2.072   0.282
  153    HD2  LYS  19           HD2      LYS  19  28.355  -3.657   0.796
  154    HD3  LYS  19           HD3      LYS  19  29.427  -2.249   0.611
  155    HE2  LYS  19           HE2      LYS  19  27.073  -1.754   2.359
  156    HE3  LYS  19           HE3      LYS  19  28.222  -2.972   2.985
  157    HZ1  LYS  19           HZ1      LYS  19  28.919  -0.719   3.544
  158    HZ2  LYS  19           HZ2      LYS  19  30.012  -1.428   2.533
  159    HZ3  LYS  19           HZ3      LYS  19  28.959  -0.300   1.949
  160    HN1  NH2  20           H1       NH2  20  29.725  -4.061  -2.390
  161    HN2  NH2  20           H2       NH2  20  29.882  -4.312  -4.114