*HEADER   CARDIAC STIMULANT                       30-MAY-95   1APF    
*TITLE    ANTHOPLEURIN-B, NMR, 20 STRUCTURES                          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ANTHOPLEURIN-B;                                  
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: AP-B, AXII                                        
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ANTHOPLEURA XANTHOGRAMMICA;           
*SOURCE  3 ORGANISM_COMMON: GIANT GREEN SEA ANEMONE;                  
*SOURCE  4 ORGAN: WHOLE ANIMAL                                        
*KEYWDS   TOXIN, SEA ANEMONE, CARDIAC STIMULANT                       
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.A.MONKS,P.K.PALLAGHY,M.J.SCANLON,R.S.NORTON               
*REVDAT  1   11-JUL-96 1APF    0                                      


REMARK  Please note that this file contains three parts: the NOE
REMARK  restraints, lower bound restraints & dihedral angle restraints.
 !1 GLY
 assign (resid  1 and name  HA1) (resid  2 and name   HN) 0 -1.78 3.63
 assign (resid  1 and name  HA1) (resid  2 and name  HG#) 0 -1.78 7.98 
 assign (resid  1 and name  HA1) (resid 21 and name HG2#) 0 -1.78 7.32
 assign (resid  1 and name  HA1) (resid 21 and name HD1#) 0 -1.78 7.37 
 assign (resid  1 and name  HA1) (resid 22 and name   HG) 0 -1.78 4.80
 assign (resid  1 and name  HA2) (resid  2 and name   HN) 0 -1.78 3.63
 assign (resid  1 and name  HA2) (resid  2 and name  HG#) 0 -1.78 7.98 
 assign (resid  1 and name  HA2) (resid 21 and name HG2#) 0 -1.78 7.32 
 assign (resid  1 and name  HA2) (resid 21 and name HD1#) 0 -1.78 7.37 
 assign (resid  1 and name  HA2) (resid 22 and name   HG) 0 -1.78 4.80
 assign (resid  1 and name  HA#) (resid  2 and name  HG#) 0 -1.78 7.19 
 assign (resid  1 and name  HA#) (resid 21 and name   HB) 0 -1.78 6.33 
 assign (resid  1 and name  HA#) (resid 21 and name HG2#) 0 -1.78 7.78 
 assign (resid  1 and name  HA#) (resid 21 and name HD1#) 0 -1.78 7.81 
 assign (resid  1 and name  HA#) (resid 22 and name   HG) 0 -1.78 4.98
 !2 VAL
 assign (resid  2 and name   HN) (resid  2 and name   HB) 0 -1.78 3.51
 assign (resid  2 and name   HN) (resid 21 and name HG2#) 0 -1.78 6.90 
 assign (resid  2 and name   HN) (resid 22 and name   HN) 0 -1.78 4.26
 assign (resid  2 and name   HN) (resid 22 and name  HB1) 0 -1.78 5.66
 assign (resid  2 and name   HN) (resid 22 and name  HB#) 0 -1.78 5.00 
 assign (resid  2 and name   HA) (resid  3 and name   HA) 0 -1.78 4.51
 assign (resid  2 and name   HA) (resid  3 and name  HD2) 0 -1.78 3.03
 assign (resid  2 and name   HA) (resid  3 and name  HD1) 0 -1.78 3.03
 assign (resid  2 and name   HB) (resid 22 and name   HN) 0 -1.78 5.00 
 assign (resid  2 and name   HB) (resid 22 and name  HB1) 0 -1.78 4.60
 assign (resid  2 and name   HB) (resid 22 and name  HB#) 0 -1.78 4.57
 assign (resid  2 and name   HB) (resid 22 and name  HD#) 0 -1.78 6.77 
 assign (resid  2 and name  HG#) (resid  3 and name   HA) 0 -1.78 6.00
 assign (resid  2 and name  HG#) (resid  3 and name  HD2) 0 -1.78 5.60 
 assign (resid  2 and name  HG#) (resid  3 and name  HD1) 0 -1.78 5.60 
 assign (resid  2 and name  HG#) (resid  3 and name  HD#) 0 -1.78 5.39 
 !3 PRO
 assign (resid  3 and name   HA) (resid  4 and name   HN) 0 -1.78 2.60
 assign (resid  3 and name   HA) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid  3 and name   HA) (resid 21 and name   HA) 0 -1.78 2.79
 assign (resid  3 and name   HA) (resid 21 and name HG2#) 0 -1.78 7.25 
 assign (resid  3 and name   HA) (resid 21 and name HG1#) 0 -1.78 5.75     
 assign (resid  3 and name   HA) (resid 21 and name HD1#) 0 -1.78 5.62 
 assign (resid  3 and name   HA) (resid 22 and name   HN) 0 -1.78 3.70
 assign (resid  3 and name  HB1) (resid  4 and name   HN) 0 -1.78 3.99
 assign (resid  3 and name  HB1) (resid 18 and name  HB#) 0 -1.78 6.74
 assign (resid  3 and name  HB1) (resid 18 and name HD1#) 0 -1.78 5.76
 assign (resid  3 and name  HB1) (resid 18 and name HD2#) 0 -1.78 4.99 
 assign (resid  3 and name  HB2) (resid  4 and name   HN) 0 -1.78 3.99
 assign (resid  3 and name  HB2) (resid 18 and name  HB#) 0 -1.78 6.14
 assign (resid  3 and name  HB2) (resid 18 and name HD1#) 0 -1.78 5.88
 assign (resid  3 and name  HB2) (resid 18 and name HD2#) 0 -1.78 4.85 
 assign (resid  3 and name  HB#) (resid  4 and name   HN) 0 -1.78 4.23 
 assign (resid  3 and name  HB#) (resid 21 and name HG2#) 0 -1.78 11.12 
 assign (resid  3 and name  HB#) (resid 18 and name  HB#) 0 -1.78 7.49
 assign (resid  3 and name  HB#) (resid 21 and name HD1#) 0 -1.78 8.28
 assign (resid  3 and name  HD2) (resid 18 and name HD1#) 0 -1.78 5.88
 assign (resid  3 and name  HD1) (resid 18 and name HD2#) 0 -1.78 6.18 
 !4 CYS
 assign (resid  4 and name   HN) (resid 21 and name   HN) 0 -1.78 5.23 
 assign (resid  4 and name   HN) (resid 21 and name   HA) 0 -1.78 5.00
 assign (resid  4 and name  HB#) (resid  5 and name   HN) 0 -1.78 4.81
 assign (resid  4 and name  HB#) (resid 22 and name   HN) 0 -1.78 5.49 
 assign (resid  4 and name   SG) (resid 46 and name   CB) 0 -1.78 3.20
 assign (resid  4 and name   SG) (resid 46 and name   SG) 0 -1.78 2.10
 assign (resid  4 and name   CB) (resid 46 and name   SG) 0 -1.78 3.20
 !5 LEU
 assign (resid  5 and name   HN) (resid  5 and name  HB1) 0 -1.78 3.55
 assign (resid  5 and name   HN) (resid  5 and name  HB2) 0 -1.78 3.71
 assign (resid  5 and name   HN) (resid  5 and name   HG) 0 -1.78 4.81
 assign (resid  5 and name   HN) (resid  5 and name  HD#) 0 -1.78 9.29 
 assign (resid  5 and name   HN) (resid  6 and name   HN) 0 -1.78 4.50
 assign (resid  5 and name   HA) (resid  5 and name   HG) 0 -1.78 3.59
 assign (resid  5 and name   HA) (resid  5 and name HD1#) 0 -1.78 6.75 
 assign (resid  5 and name   HA) (resid  5 and name HD2#) 0 -1.78 6.75 
 assign (resid  5 and name   HA) (resid  6 and name   HN) 0 -1.78 3.06
 assign (resid  5 and name   HA) (resid  9 and name  HB#) 0 -1.78 6.00 
 assign (resid  5 and name  HB1) (resid  6 and name   HN) 0 -1.78 4.76
 assign (resid  5 and name  HB2) (resid  6 and name   HN) 0 -1.78 5.02
 assign (resid  5 and name   HG) (resid  6 and name   HN) 0 -1.78 4.52
 assign (resid  5 and name   HG) (resid  9 and name  HB#) 0 -1.78 6.00
 assign (resid  5 and name HD1#) (resid  6 and name   HN) 0 -1.78 9.12 
 assign (resid  5 and name HD1#) (resid  6 and name   HA) 0 -1.78 7.55 
 assign (resid  5 and name HD1#) (resid  9 and name  HB1) 0 -1.78 8.91 
 assign (resid  5 and name HD1#) (resid  9 and name  HB2) 0 -1.78 7.43
 assign (resid  5 and name HD2#) (resid  6 and name   HN) 0 -1.78 9.12 
 assign (resid  5 and name HD2#) (resid  6 and name   HA) 0 -1.78 7.55 
 assign (resid  5 and name HD2#) (resid  9 and name  HB1) 0 -1.78 8.91 
 assign (resid  5 and name HD2#) (resid  9 and name  HB2) 0 -1.78 8.91 
 assign (resid  5 and name  HD#) (resid  6 and name   HN) 0 -1.78 7.94 
 assign (resid  5 and name  HD#) (resid  9 and name   HN) 0 -1.78 9.65 
 assign (resid  5 and name  HD#) (resid  9 and name  HB#) 0 -1.78 8.41 
 !6 CYS
 assign (resid  6 and name   HN) (resid  6 and name  HB1) 0 -1.78 4.03
 assign (resid  6 and name   HN) (resid  6 and name  HB2) 0 -1.78 4.03
 assign (resid  6 and name   HN) (resid  7 and name   HN) 0 -1.78 4.30
 assign (resid  6 and name   HN) (resid  9 and name  HB1) 0 -1.78 4.86
 assign (resid  6 and name   HN) (resid  9 and name  HB2) 0 -1.78 4.86
 assign (resid  6 and name   HN) (resid  9 and name  HB#) 0 -1.78 5.11 
 assign (resid  6 and name   HN) (resid 19 and name   HN) 0 -1.78 5.50 
 assign (resid  6 and name   HA) (resid  7 and name   HN) 0 -1.78 3.42
 assign (resid  6 and name   HA) (resid  9 and name  HB1) 0 -1.78 4.00
 assign (resid  6 and name   HA) (resid  9 and name  HB2) 0 -1.78 4.00
 assign (resid  6 and name   HA) (resid  9 and name  HB#) 0 -1.78 4.10 
 assign (resid  6 and name   HA) (resid 37 and name  HB1) 0 -1.78 4.50 
 assign (resid  6 and name   HA) (resid 37 and name  HB2) 0 -1.78 4.50 
 assign (resid  6 and name   HA) (resid 37 and name  HB#) 0 -1.78 4.50 
 assign (resid  6 and name   HA) (resid 37 and name  HG#) 0 -1.78 5.63
 assign (resid  6 and name  HB1) (resid  7 and name   HN) 0 -1.78 4.30
 assign (resid  6 and name  HB1) (resid  7 and name   HA) 0 -1.78 4.78
 assign (resid  6 and name  HB1) (resid  8 and name   HN) 0 -1.78 4.82
 assign (resid  6 and name  HB2) (resid  7 and name   HN) 0 -1.78 4.30
 assign (resid  6 and name  HB2) (resid  7 and name   HA) 0 -1.78 4.78
 assign (resid  6 and name  HB2) (resid  8 and name   HN) 0 -1.78 4.82
 assign (resid  6 and name  HB#) (resid  7 and name   HN) 0 -1.78 4.41 
 assign (resid  6 and name  HB#) (resid  7 and name   HA) 0 -1.78 5.15 
 assign (resid  6 and name  HB#) (resid  8 and name   HN) 0 -1.78 4.98
 assign (resid  6 and name  HB#) (resid 36 and name   HA) 0 -1.78 5.98
 assign (resid  6 and name  HB#) (resid 36 and name  HB1) 0 -1.78 5.30 
 assign (resid  6 and name  HB#) (resid 36 and name  HB2) 0 -1.78 5.75
 assign (resid  6 and name  HB#) (resid 47 and name   HA) 0 -1.78 6.00
 assign (resid  6 and name   SG) (resid 36 and name   CB) 0 -1.78 3.20
 assign (resid  6 and name   SG) (resid 36 and name   SG) 0 -1.78 2.10
 assign (resid  6 and name   CB) (resid 36 and name   SG) 0 -1.78 3.20
 !7 ASP
 assign (resid  7 and name   HN) (resid  8 and name   HN) 0 -1.78 3.86
 assign (resid  7 and name   HN) (resid 37 and name   HA) 0 -1.78 4.11
 assign (resid  7 and name   HA) (resid  8 and name   HN) 0 -1.78 3.53
 assign (resid  7 and name   HA) (resid  9 and name   HN) 0 -1.78 5.10
 assign (resid  7 and name   HA) (resid 39 and name  HD2) 0 -1.78 5.21 
 assign (resid  7 and name  HB#) (resid  8 and name   HN) 0 -1.78 5.00
 assign (resid  7 and name  HB#) (resid 38 and name   HN) 0 -1.78 5.70
 assign (resid  7 and name  HB#) (resid 39 and name   HN) 0 -1.78 4.90
 !8 SER
 assign (resid  8 and name   HN) (resid  8 and name  HB1) 0 -1.78 4.16
 assign (resid  8 and name   HN) (resid  8 and name  HB2) 0 -1.78 4.16
 assign (resid  8 and name   HN) (resid  8 and name  HB#) 0 -1.78 4.34 
 assign (resid  8 and name   HN) (resid  9 and name   HN) 0 -1.78 4.21
 assign (resid  8 and name   HN) (resid 37 and name   HA) 0 -1.78 5.00
 assign (resid  8 and name   HA) (resid  9 and name   HN) 0 -1.78 3.58
 assign (resid  8 and name  HB#) (resid  9 and name   HN) 0 -1.78 5.50
 !9 ASP
 assign (resid  9 and name   HN) (resid  9 and name  HB1) 0 -1.78 3.67
 assign (resid  9 and name   HN) (resid  9 and name  HB2) 0 -1.78 3.67
 assign (resid  9 and name   HN) (resid 10 and name   HN) 0 -1.78 4.29
 assign (resid  9 and name  HB1) (resid 10 and name   HN) 0 -1.78 4.89
 assign (resid  9 and name  HB2) (resid 10 and name   HN) 0 -1.78 4.89
 assign (resid  9 and name  HB#) (resid 10 and name   HN) 0 -1.78 4.89
 !10 GLY
 assign (resid 10 and name  HA#) (resid 11 and name  HD#) 0 -1.78 4.15 
 !11 PRO
 assign (resid 11 and name   HA) (resid 12 and name   HN) 0 -1.78 3.01
 assign (resid 11 and name  HG#) (resid 12 and name   HN) 0 -1.78 5.62
 assign (resid 11 and name  HD2) (resid 12 and name   HN) 0 -1.78 4.44
 assign (resid 11 and name  HD1) (resid 12 and name   HN) 0 -1.78 4.44
 assign (resid 11 and name  HD#) (resid 12 and name   HN) 0 -1.78 4.61
 assign (resid 11 and name  HD#) (resid 12 and name  HD#) 0 -1.78 6.99
 !12 ARG
 assign (resid 12 and name   HN) (resid 12 and name  HG#) 0 -1.78 5.04
 assign (resid 12 and name   HN) (resid 12 and name  HD#) 0 -1.78 5.00
 assign (resid 12 and name   HA) (resid 12 and name  HG1) 0 -1.78 3.51
 assign (resid 12 and name   HA) (resid 12 and name  HG2) 0 -1.78 3.51
 assign (resid 12 and name   HA) (resid 12 and name  HD#) 0 -1.78 4.23 
 assign (resid 12 and name   HA) (resid 13 and name  HD2) 0 -1.78 3.19
 assign (resid 12 and name   HA) (resid 13 and name  HD1) 0 -1.78 3.19
 assign (resid 12 and name  HG1) (resid 13 and name  HD2) 0 -1.78 5.92
 assign (resid 12 and name  HG1) (resid 13 and name  HD1) 0 -1.78 5.92
 assign (resid 12 and name  HG2) (resid 13 and name  HD2) 0 -1.78 5.92
 assign (resid 12 and name  HG2) (resid 13 and name  HD1) 0 -1.78 5.92
 assign (resid 12 and name  HG#) (resid 13 and name  HD#) 0 -1.78 6.17 
 !13 PRO
 assign (resid 13 and name   HA) (resid 14 and name   HN) 0 -1.78 2.93
 assign (resid 13 and name  HB1) (resid 14 and name   HN) 0 -1.78 4.50
 assign (resid 13 and name  HB2) (resid 14 and name   HN) 0 -1.78 4.50
 assign (resid 13 and name  HG#) (resid 14 and name   HN) 0 -1.78 5.14
 !14 ARG
 assign (resid 14 and name   HN) (resid 14 and name  HB1) 0 -1.78 3.97
 assign (resid 14 and name   HN) (resid 14 and name  HB2) 0 -1.78 3.97
 assign (resid 14 and name   HN) (resid 14 and name  HB#) 0 -1.78 4.24 
 assign (resid 14 and name   HN) (resid 14 and name  HG1) 0 -1.78 3.90
 assign (resid 14 and name   HN) (resid 14 and name  HG2) 0 -1.78 3.90
 assign (resid 14 and name   HN) (resid 14 and name  HG#) 0 -1.78 4.20 
 assign (resid 14 and name   HA) (resid 14 and name  HG1) 0 -1.78 3.92
 assign (resid 14 and name   HA) (resid 14 and name  HG2) 0 -1.78 3.92
 assign (resid 14 and name   HA) (resid 15 and name   HN) 0 -1.78 2.89
 assign (resid 14 and name   HA) (resid 16 and name   HN) 0 -1.78 3.64
 assign (resid 14 and name  HB1) (resid 14 and name  HD#) 0 -1.78 3.96
 assign (resid 14 and name  HB2) (resid 14 and name  HD#) 0 -1.78 3.96
 assign (resid 14 and name  HB#) (resid 15 and name   HN) 0 -1.78 4.50
 !16 ASN
 assign (resid 16 and name   HN) (resid 16 and name  HB#) 0 -1.78 4.38 
 assign (resid 16 and name   HN) (resid 17 and name   HN) 0 -1.78 3.74
 assign (resid 16 and name  HB1) (resid 17 and name   HN) 0 -1.78 5.02
 assign (resid 16 and name  HB2) (resid 17 and name   HN) 0 -1.78 5.02
 !17 THR
 assign (resid 17 and name   HN) (resid 17 and name   HB) 0 -1.78 3.69
 assign (resid 17 and name   HA) (resid 18 and name   HN) 0 -1.78 2.85
 assign (resid 17 and name   HB) (resid 18 and name   HN) 0 -1.78 4.38
 assign (resid 17 and name HG2#) (resid 18 and name   HN) 0 -1.78 6.54 
 !18 LEU
 assign (resid 18 and name   HN) (resid 18 and name  HB#) 0 -1.78 4.23 
 assign (resid 18 and name   HN) (resid 18 and name  HD#) 0 -1.78 7.33 
 assign (resid 18 and name   HN) (resid 19 and name   HN) 0 -1.78 4.29
 assign (resid 18 and name   HA) (resid 18 and name   HG) 0 -1.78 3.54
 assign (resid 18 and name   HA) (resid 19 and name   HN) 0 -1.78 3.05
 assign (resid 18 and name   HA) (resid 20 and name   HN) 0 -1.78 3.70
 !19 SER
 assign (resid 19 and name   HN) (resid 20 and name   HN) 0 -1.78 3.50
 assign (resid 19 and name   HA) (resid 20 and name  HA#) 0 -1.78 4.70
 !21 ILE
 assign (resid 21 and name   HN) (resid 21 and name   HB) 0 -1.78 3.63
 assign (resid 21 and name   HN) (resid 21 and name HG1#) 0 -1.78 6.01
 assign (resid 21 and name   HN) (resid 21 and name HD1#) 0 -1.78 7.77
 assign (resid 21 and name   HN) (resid 23 and name  HE1) 0 -1.78 5.00 
 assign (resid 21 and name   HN) (resid 23 and name  HD1) 0 -1.78 6.00
 assign (resid 21 and name   HN) (resid 33 and name  HZ3) 0 -1.78 4.00
 assign (resid 21 and name   HN) (resid 46 and name   HA) 0 -1.78 4.81
 assign (resid 21 and name   HN) (resid 47 and name   HN) 0 -1.78 3.33
 assign (resid 21 and name   HN) (resid 47 and name   HA) 0 -1.78 5.01
 assign (resid 21 and name   HN) (resid 47 and name  HB1) 0 -1.78 4.83
 assign (resid 21 and name   HN) (resid 47 and name  HB2) 0 -1.78 4.83
 assign (resid 21 and name   HN) (resid 47 and name  HB#) 0 -1.78 5.00
 assign (resid 21 and name   HN) (resid 48 and name   HA) 0 -1.78 5.01 
 assign (resid 21 and name   HN) (resid 48 and name  HB#) 0 -1.78 4.30 
 assign (resid 21 and name   HN) (resid 49 and name   HN) 0 -1.78 4.54
 assign (resid 21 and name   HA) (resid 21 and name HD1#) 0 -1.78 5.91
 assign (resid 21 and name   HA) (resid 22 and name   HN) 0 -1.78 2.50
 assign (resid 21 and name   HB) (resid 23 and name  HD1) 0 -1.78 4.36
 assign (resid 21 and name   HB) (resid 23 and name  HE1) 0 -1.78 4.02
 assign (resid 21 and name   HB) (resid 33 and name  HE3) 0 -1.78 4.52
 assign (resid 21 and name   HB) (resid 33 and name  HZ3) 0 -1.78 3.43
 assign (resid 21 and name   HB) (resid 33 and name  HZ2) 0 -1.78 5.25
 assign (resid 21 and name   HB) (resid 33 and name  HH2) 0 -1.78 3.91
 assign (resid 21 and name HG2#) (resid 22 and name   HN) 0 -1.78 6.31 
 assign (resid 21 and name HG2#) (resid 22 and name   HA) 0 -1.78 7.47 
 assign (resid 21 and name HG2#) (resid 23 and name  HE1) 0 -1.78 7.13 
 assign (resid 21 and name HG2#) (resid 23 and name  HD1) 0 -1.78 5.50 
 assign (resid 21 and name HG2#) (resid 23 and name  HZ2) 0 -1.78 7.49 
 assign (resid 21 and name HG2#) (resid 33 and name  HZ3) 0 -1.78 6.89 
 assign (resid 21 and name HG2#) (resid 33 and name  HH2) 0 -1.78 7.08 
 assign (resid 21 and name HG1#) (resid 23 and name  HD1) 0 -1.78 7.13 
 assign (resid 21 and name HG1#) (resid 23 and name  HE1) 0 -1.78 6.87 
 assign (resid 21 and name HG1#) (resid 23 and name  HZ2) 0 -1.78 7.17 
 assign (resid 21 and name HG1#) (resid 33 and name  HZ3) 0 -1.78 5.22 
 assign (resid 21 and name HG1#) (resid 33 and name  HZ2) 0 -1.78 6.32 
 assign (resid 21 and name HG1#) (resid 33 and name  HH2) 0 -1.78 5.10 
 assign (resid 21 and name HD1#) (resid 22 and name   HN) 0 -1.78 6.78 
 assign (resid 21 and name HD1#) (resid 22 and name  HB#) 0 -1.78 7.76 
 assign (resid 21 and name HD1#) (resid 23 and name  HD1) 0 -1.78 8.26 
 assign (resid 21 and name HD1#) (resid 23 and name  HZ2) 0 -1.78 8.26 
 assign (resid 21 and name HD1#) (resid 33 and name  HZ3) 0 -1.78 6.86 
 assign (resid 21 and name HD1#) (resid 33 and name  HZ2) 0 -1.78 7.75 
 assign (resid 21 and name HD1#) (resid 33 and name  HH2) 0 -1.78 6.60
 !22 LEU
 assign (resid 22 and name   HN) (resid 22 and name  HB1) 0 -1.78 3.74
 assign (resid 22 and name   HN) (resid 22 and name  HB2) 0 -1.78 3.74
 assign (resid 22 and name   HN) (resid 22 and name   HG) 0 -1.78 4.09
 assign (resid 22 and name   HN) (resid 22 and name  HD#) 0 -1.78 6.63 
 assign (resid 22 and name   HA) (resid 22 and name   HG) 0 -1.78 4.15
 assign (resid 22 and name   HA) (resid 22 and name  HD#) 0 -1.78 4.82
 assign (resid 22 and name   HA) (resid 23 and name   HN) 0 -1.78 2.93
 assign (resid 22 and name   HA) (resid 23 and name  HD1) 0 -1.78 4.25
 assign (resid 22 and name   HA) (resid 46 and name   HA) 0 -1.78 3.36
 assign (resid 22 and name   HA) (resid 46 and name  HB1) 0 -1.78 4.33
 assign (resid 22 and name   HA) (resid 46 and name  HB2) 0 -1.78 4.33
 assign (resid 22 and name   HA) (resid 47 and name   HN) 0 -1.78 4.32
 assign (resid 22 and name  HB1) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid 22 and name  HB2) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid 22 and name  HB#) (resid 46 and name   HA) 0 -1.78 4.25
 assign (resid 22 and name  HB#) (resid 23 and name   HN) 0 -1.78 6.48
 assign (resid 22 and name   HG) (resid 23 and name   HN) 0 -1.78 4.87
 assign (resid 22 and name   HG) (resid 46 and name   HA) 0 -1.78 5.50
 assign (resid 22 and name  HD#) (resid 23 and name   HN) 0 -1.78 6.79 
 assign (resid 22 and name  HD#) (resid 23 and name   HA) 0 -1.78 7.18 
 assign (resid 22 and name  HD#) (resid 24 and name  HD1) 0 -1.78 6.25 
 assign (resid 22 and name  HD#) (resid 41 and name  HD#) 0 -1.78 7.20
 assign (resid 22 and name  HD#) (resid 46 and name   HN) 0 -1.78 8.72 
 assign (resid 22 and name  HD#) (resid 47 and name   HN) 0 -1.78 7.42 
 !23 TRP
 assign (resid 23 and name   HN) (resid 23 and name  HB1) 0 -1.78 3.66
 assign (resid 23 and name   HN) (resid 23 and name  HB2) 0 -1.78 4.01
 assign (resid 23 and name   HN) (resid 24 and name   HN) 0 -1.78 4.20
 assign (resid 23 and name   HN) (resid 23 and name  HD1) 0 -1.78 4.17
 assign (resid 23 and name   HN) (resid 45 and name   HN) 0 -1.78 4.02
 assign (resid 23 and name   HN) (resid 46 and name   HA) 0 -1.78 4.25
 assign (resid 23 and name   HA) (resid 23 and name  HD1) 0 -1.78 4.68
 assign (resid 23 and name   HA) (resid 23 and name  HE3) 0 -1.78 3.86
 assign (resid 23 and name   HA) (resid 24 and name   HN) 0 -1.78 2.55
 assign (resid 23 and name   HA) (resid 25 and name   HN) 0 -1.78 4.25
 assign (resid 23 and name  HB1) (resid 23 and name  HD1) 0 -1.78 4.17
 assign (resid 23 and name  HB1) (resid 23 and name  HE3) 0 -1.78 3.83
 assign (resid 23 and name  HB1) (resid 24 and name   HN) 0 -1.78 4.57
 assign (resid 23 and name  HB1) (resid 25 and name   HN) 0 -1.78 4.82
 assign (resid 23 and name  HB1) (resid 29 and name   HA) 0 -1.78 4.33
 assign (resid 23 and name  HB1) (resid 30 and name  HD2) 0 -1.78 4.20
 assign (resid 23 and name  HB1) (resid 30 and name  HD#) 0 -1.78 4.69 
 assign (resid 23 and name  HB2) (resid 23 and name  HE3) 0 -1.78 3.85
 assign (resid 23 and name  HB2) (resid 24 and name   HN) 0 -1.78 4.51
 assign (resid 23 and name  HB2) (resid 25 and name   HN) 0 -1.78 4.18
 assign (resid 23 and name  HB2) (resid 29 and name   HA) 0 -1.78 3.93
 assign (resid 23 and name  HB2) (resid 30 and name  HD2) 0 -1.78 3.93
 assign (resid 23 and name  HD1) (resid 29 and name   HA) 0 -1.78 4.66
 assign (resid 23 and name  HD1) (resid 29 and name  HB1) 0 -1.78 6.10
 assign (resid 23 and name  HD1) (resid 29 and name  HB2) 0 -1.78 6.10
 assign (resid 23 and name  HD1) (resid 29 and name  HB#) 0 -1.78 6.46 
 assign (resid 23 and name  HD1) (resid 30 and name  HG#) 0 -1.78 5.71
 assign (resid 23 and name  HD1) (resid 30 and name  HD2) 0 -1.78 4.55
 assign (resid 23 and name  HD1) (resid 30 and name  HD1) 0 -1.78 4.55
 assign (resid 23 and name  HD1) (resid 30 and name  HD#) 0 -1.78 4.37
 assign (resid 23 and name  HD1) (resid 33 and name  HE3) 0 -1.78 3.59
 assign (resid 23 and name  HD1) (resid 33 and name  HZ3) 0 -1.78 4.59
 assign (resid 23 and name  HD1) (resid 46 and name   HA) 0 -1.78 4.59
 assign (resid 23 and name  HD1) (resid 47 and name   HN) 0 -1.78 3.92
 assign (resid 23 and name  HD1) (resid 47 and name   HA) 0 -1.78 4.86
 assign (resid 23 and name  HD1) (resid 47 and name  HB1) 0 -1.78 3.83
 assign (resid 23 and name  HD1) (resid 47 and name  HB2) 0 -1.78 3.83
 assign (resid 23 and name  HD1) (resid 47 and name  HB#) 0 -1.78 3.54
 assign (resid 23 and name  HE3) (resid 24 and name   HN) 0 -1.78 4.00
 assign (resid 23 and name  HE3) (resid 30 and name  HB#) 0 -1.78 6.23
 assign (resid 23 and name  HE3) (resid 30 and name  HG1) 0 -1.78 5.12
 assign (resid 23 and name  HE3) (resid 30 and name  HG2) 0 -1.78 5.12
 assign (resid 23 and name  HE3) (resid 30 and name  HG#) 0 -1.78 4.89
 assign (resid 23 and name  HE3) (resid 30 and name  HD2) 0 -1.78 5.25
 assign (resid 23 and name  HE3) (resid 30 and name  HD1) 0 -1.78 5.25
 assign (resid 23 and name  HE3) (resid 30 and name  HD#) 0 -1.78 5.00
 assign (resid 23 and name  HE1) (resid 33 and name  HE3) 0 -1.78 4.60
 assign (resid 23 and name  HE1) (resid 33 and name  HZ3) 0 -1.78 4.41
 assign (resid 23 and name  HE1) (resid 47 and name  HB#) 0 -1.78 5.82
 assign (resid 23 and name  HZ3) (resid 24 and name  HB1) 0 -1.78 4.23
 assign (resid 23 and name  HZ3) (resid 24 and name  HB2) 0 -1.78 4.63
 assign (resid 23 and name  HZ2) (resid 30 and name  HB#) 0 -1.78 6.00
 assign (resid 23 and name  HZ2) (resid 30 and name  HD2) 0 -1.78 6.87
 assign (resid 23 and name  HZ2) (resid 30 and name  HD#) 0 -1.78 6.01 
 assign (resid 23 and name  HZ2) (resid 30 and name  HG#) 0 -1.78 4.80 
 assign (resid 23 and name  HZ2) (resid 33 and name  HE1) 0 -1.78 4.26
 assign (resid 23 and name  HZ2) (resid 33 and name  HZ2) 0 -1.78 3.61
 assign (resid 23 and name  HZ2) (resid 33 and name  HH2) 0 -1.78 3.91
 assign (resid 23 and name  HZ2) (resid 30 and name  HG2) 0 -1.78 5.80
 assign (resid 23 and name  HZ2) (resid 30 and name  HG1) 0 -1.78 5.80
 assign (resid 23 and name  HH2) (resid 33 and name  HZ2) 0 -1.78 5.06
 !24 PHE
 assign (resid 24 and name   HN) (resid 24 and name  HB1) 0 -1.78 3.37
 assign (resid 24 and name   HN) (resid 24 and name  HB2) 0 -1.78 3.44
 assign (resid 24 and name   HN) (resid 24 and name  HD1) 0 -1.78 3.52
 assign (resid 24 and name   HN) (resid 25 and name   HN) 0 -1.78 3.37
 assign (resid 24 and name   HA) (resid 24 and name  HD1) 0 -1.78 3.36
 assign (resid 24 and name   HA) (resid 25 and name   HN) 0 -1.78 3.35
 assign (resid 24 and name   HA) (resid 44 and name  HA1) 0 -1.78 3.86
 assign (resid 24 and name   HA) (resid 44 and name  HA2) 0 -1.78 3.86
 assign (resid 24 and name   HA) (resid 44 and name  HA#) 0 -1.78 3.44
 assign (resid 24 and name   HA) (resid 45 and name   HN) 0 -1.78 4.21
 assign (resid 24 and name   HA) (resid 45 and name  HD1) 0 -1.78 4.51
 assign (resid 24 and name  HB1) (resid 24 and name  HD1) 0 -1.78 4.49
 assign (resid 24 and name  HB1) (resid 25 and name   HN) 0 -1.78 4.77
 assign (resid 24 and name  HB2) (resid 24 and name  HD1) 0 -1.78 4.49
 !25 TYR
 assign (resid 25 and name   HN) (resid 25 and name  HB1) 0 -1.78 3.62
 assign (resid 25 and name   HN) (resid 25 and name  HB2) 0 -1.78 3.68
 assign (resid 25 and name   HN) (resid 26 and name  HD2) 0 -1.78 4.70
 assign (resid 25 and name   HN) (resid 26 and name  HD1) 0 -1.78 4.64
 assign (resid 25 and name   HN) (resid 26 and name  HD#) 0 -1.78 4.50
 assign (resid 25 and name   HA) (resid 25 and name  HD1) 0 -1.78 4.48
 assign (resid 25 and name   HA) (resid 25 and name  HE1) 0 -1.78 5.50
 assign (resid 25 and name   HA) (resid 26 and name  HB#) 0 -1.78 5.95
 assign (resid 25 and name   HA) (resid 26 and name  HG#) 0 -1.78 5.28 
 assign (resid 25 and name   HA) (resid 26 and name  HD2) 0 -1.78 3.28
 assign (resid 25 and name   HA) (resid 26 and name  HD1) 0 -1.78 3.28
 assign (resid 25 and name   HA) (resid 26 and name  HD#) 0 -1.78 3.10
 assign (resid 25 and name   HA) (resid 27 and name   HN) 0 -1.78 4.64
 assign (resid 25 and name  HB1) (resid 26 and name  HD2) 0 -1.78 4.91
 assign (resid 25 and name  HB1) (resid 26 and name  HD1) 0 -1.78 4.91
 assign (resid 25 and name  HB1) (resid 26 and name  HD#) 0 -1.78 4.71
 assign (resid 25 and name  HB1) (resid 27 and name   HN) 0 -1.78 4.72
 assign (resid 25 and name  HB2) (resid 26 and name  HD#) 0 -1.78 5.50
 assign (resid 25 and name  HB2) (resid 27 and name   HN) 0 -1.78 4.30
 assign (resid 25 and name  HD1) (resid 26 and name   HA) 0 -1.78 6.09
 assign (resid 25 and name  HD1) (resid 26 and name  HG#) 0 -1.78 6.01
 assign (resid 25 and name  HD1) (resid 26 and name  HD2) 0 -1.78 6.05 
 assign (resid 25 and name  HD1) (resid 26 and name  HD1) 0 -1.78 6.06
 assign (resid 25 and name  HD1) (resid 26 and name  HD#) 0 -1.78 6.00
 assign (resid 25 and name  HD1) (resid 30 and name  HD#) 0 -1.78 6.05
 assign (resid 25 and name  HD1) (resid 30 and name  HB#) 0 -1.78 8.88 
 assign (resid 25 and name  HD1) (resid 30 and name  HG#) 0 -1.78 10.02 
 !26 PRO
 assign (resid 26 and name   HA) (resid 27 and name   HN) 0 -1.78 4.05
 assign (resid 26 and name   HA) (resid 28 and name   HN) 0 -1.78 4.80
 assign (resid 26 and name   HA) (resid 45 and name  HD1) 0 -1.78 5.38
 assign (resid 26 and name   HA) (resid 45 and name  HE1) 0 -1.78 4.13
 assign (resid 26 and name  HB#) (resid 27 and name   HN) 0 -1.78 4.84
 assign (resid 26 and name  HG#) (resid 27 and name   HN) 0 -1.78 5.58
 assign (resid 26 and name  HD#) (resid 27 and name   HN) 0 -1.78 6.04
 !27 SER
 assign (resid 27 and name   HN) (resid 27 and name  HB1) 0 -1.78 3.92
 assign (resid 27 and name   HN) (resid 27 and name  HB2) 0 -1.78 4.13
 assign (resid 27 and name   HN) (resid 28 and name   HN) 0 -1.78 3.08
 assign (resid 27 and name   HA) (resid 45 and name  HE1) 0 -1.78 6.65
 assign (resid 27 and name   HA) (resid 45 and name  HZ2) 0 -1.78 5.49
 assign (resid 27 and name  HB1) (resid 28 and name   HN) 0 -1.78 4.68
 assign (resid 27 and name  HB2) (resid 28 and name   HN) 0 -1.78 4.50
 !28 GLY
 assign (resid 28 and name   HN) (resid 45 and name  HE1) 0 -1.78 3.99
 assign (resid 28 and name  HA1) (resid 29 and name   HN) 0 -1.78 3.46
 assign (resid 28 and name  HA1) (resid 45 and name  HE1) 0 -1.78 4.78
 assign (resid 28 and name  HA2) (resid 29 and name   HN) 0 -1.78 3.46
 assign (resid 28 and name  HA2) (resid 45 and name  HE1) 0 -1.78 4.50
 assign (resid 28 and name  HA2) (resid 45 and name  HE3) 0 -1.78 5.50 
 assign (resid 28 and name  HA#) (resid 45 and name   HN) 0 -1.78 5.91
 assign (resid 28 and name  HA#) (resid 45 and name  HD1) 0 -1.78 5.15
 assign (resid 28 and name  HA#) (resid 45 and name  HE1) 0 -1.78 4.44
 !29 CYS
 assign (resid 29 and name   HN) (resid 29 and name  HB1) 0 -1.78 3.45
 assign (resid 29 and name   HN) (resid 29 and name  HB2) 0 -1.78 3.45
 assign (resid 29 and name   HN) (resid 30 and name  HD#) 0 -1.78 6.14
 assign (resid 29 and name   HA) (resid 30 and name  HD2) 0 -1.78 3.19
 assign (resid 29 and name   HA) (resid 30 and name  HD1) 0 -1.78 3.19
 assign (resid 29 and name   HA) (resid 30 and name  HD#) 0 -1.78 2.95
 assign (resid 29 and name  HB1) (resid 30 and name  HD2) 0 -1.78 5.03
 assign (resid 29 and name  HB1) (resid 30 and name  HD1) 0 -1.78 5.03
 assign (resid 29 and name  HB1) (resid 33 and name  HB1) 0 -1.78 4.90
 assign (resid 29 and name  HB1) (resid 33 and name  HB2) 0 -1.78 4.90
 assign (resid 29 and name  HB1) (resid 35 and name   HN) 0 -1.78 5.30
 assign (resid 29 and name  HB1) (resid 47 and name  HB1) 0 -1.78 5.83
 assign (resid 29 and name  HB1) (resid 47 and name  HB2) 0 -1.78 5.83
 assign (resid 29 and name  HB2) (resid 30 and name  HD2) 0 -1.78 5.03
 assign (resid 29 and name  HB2) (resid 30 and name  HD1) 0 -1.78 5.03
 assign (resid 29 and name  HB2) (resid 33 and name  HB1) 0 -1.78 4.90
 assign (resid 29 and name  HB2) (resid 33 and name  HB2) 0 -1.78 4.90
 assign (resid 29 and name  HB2) (resid 35 and name   HN) 0 -1.78 5.30
 assign (resid 29 and name  HB2) (resid 47 and name  HB1) 0 -1.78 5.83
 assign (resid 29 and name  HB2) (resid 47 and name  HB2) 0 -1.78 5.83
 assign (resid 29 and name  HB#) (resid 30 and name  HG#) 0 -1.78 6.70
 assign (resid 29 and name  HB#) (resid 30 and name  HD#) 0 -1.78 3.86
 assign (resid 29 and name  HB#) (resid 33 and name  HB1) 0 -1.78 5.51
 assign (resid 29 and name  HB#) (resid 33 and name  HB2) 0 -1.78 5.51
 assign (resid 29 and name  HB#) (resid 33 and name  HB#) 0 -1.78 4.47
 assign (resid 29 and name  HB#) (resid 35 and name   HN) 0 -1.78 5.04
 assign (resid 29 and name  HB#) (resid 47 and name  HB1) 0 -1.78 4.87
 assign (resid 29 and name  HB#) (resid 47 and name  HB2) 0 -1.78 4.87
 assign (resid 29 and name  HB#) (resid 47 and name  HB#) 0 -1.78 4.67
 assign (resid 29 and name   SG) (resid 47 and name   CB) 0 -1.78 3.20
 assign (resid 29 and name   SG) (resid 47 and name   SG) 0 -1.78 2.10
 assign (resid 29 and name   CB) (resid 47 and name   SG) 0 -1.78 3.20
 !30 PRO
 assign (resid 30 and name   HA) (resid 31 and name   HN) 0 -1.78 2.57
 assign (resid 30 and name   HA) (resid 33 and name  HD1) 0 -1.78 4.75
 assign (resid 30 and name  HB#) (resid 31 and name   HN) 0 -1.78 4.76
 assign (resid 30 and name  HB#) (resid 31 and name  HB#) 0 -1.78 6.21
 assign (resid 30 and name  HB#) (resid 33 and name  HB#) 0 -1.78 6.21
 assign (resid 30 and name  HB#) (resid 33 and name  HD1) 0 -1.78 4.51
 assign (resid 30 and name  HB#) (resid 33 and name  HE1) 0 -1.78 5.19
 assign (resid 30 and name  HG1) (resid 31 and name   HN) 0 -1.78 5.01
 assign (resid 30 and name  HG1) (resid 33 and name  HB1) 0 -1.78 5.67
 assign (resid 30 and name  HG1) (resid 33 and name  HB2) 0 -1.78 5.67
 assign (resid 30 and name  HG1) (resid 33 and name  HE1) 0 -1.78 5.92
 assign (resid 30 and name  HG1) (resid 33 and name  HD1) 0 -1.78 3.70 
 assign (resid 30 and name  HG2) (resid 31 and name   HN) 0 -1.78 5.01
 assign (resid 30 and name  HG2) (resid 33 and name  HB1) 0 -1.78 5.67
 assign (resid 30 and name  HG2) (resid 33 and name  HB2) 0 -1.78 5.67
 assign (resid 30 and name  HG2) (resid 33 and name  HE1) 0 -1.78 5.92
 assign (resid 30 and name  HG2) (resid 33 and name  HD1) 0 -1.78 4.43
 assign (resid 30 and name  HG#) (resid 33 and name   HN) 0 -1.78 5.99
 assign (resid 30 and name  HG#) (resid 33 and name  HB#) 0 -1.78 4.60
 assign (resid 30 and name  HG#) (resid 33 and name  HD1) 0 -1.78 4.50
 assign (resid 30 and name  HG#) (resid 33 and name  HE3) 0 -1.78 5.50
 assign (resid 30 and name  HG#) (resid 33 and name  HE1) 0 -1.78 5.12
 assign (resid 30 and name  HD2) (resid 33 and name  HB1) 0 -1.78 5.01
 assign (resid 30 and name  HD2) (resid 33 and name  HB2) 0 -1.78 5.01
 assign (resid 30 and name  HD2) (resid 33 and name  HD1) 0 -1.78 5.57
 assign (resid 30 and name  HD1) (resid 33 and name  HB1) 0 -1.78 5.01
 assign (resid 30 and name  HD1) (resid 33 and name  HB2) 0 -1.78 5.01
 assign (resid 30 and name  HD1) (resid 33 and name  HD1) 0 -1.78 5.57
 assign (resid 30 and name  HD#) (resid 33 and name  HB#) 0 -1.78 3.90
 assign (resid 30 and name  HD#) (resid 33 and name  HD1) 0 -1.78 4.97
 assign (resid 30 and name  HD#) (resid 33 and name  HE3) 0 -1.78 5.71
 !31 SER
 assign (resid 31 and name   HN) (resid 32 and name   HN) 0 -1.78 4.27
 assign (resid 31 and name   HN) (resid 33 and name  HD1) 0 -1.78 5.38
 assign (resid 31 and name   HA) (resid 32 and name   HN) 0 -1.78 2.47
 assign (resid 31 and name   HA) (resid 33 and name   HN) 0 -1.78 3.76
 assign (resid 31 and name  HB#) (resid 32 and name   HN) 0 -1.78 4.43
 !32 GLY
 assign (resid 32 and name   HN) (resid 33 and name   HN) 0 -1.78 4.25
 assign (resid 32 and name   HN) (resid 33 and name  HD1) 0 -1.78 5.52
 assign (resid 32 and name  HA1) (resid 33 and name  HD1) 0 -1.78 4.42
 assign (resid 32 and name  HA2) (resid 33 and name  HD1) 0 -1.78 4.42
 assign (resid 32 and name  HA#) (resid 33 and name  HD1) 0 -1.78 4.09
 assign (resid 32 and name  HA#) (resid 33 and name  HE1) 0 -1.78 5.87
 !33 TRP
 assign (resid 33 and name   HN) (resid 33 and name  HB1) 0 -1.78 3.65
 assign (resid 33 and name   HN) (resid 33 and name  HB2) 0 -1.78 3.65
 assign (resid 33 and name   HN) (resid 33 and name  HB#) 0 -1.78 3.48
 assign (resid 33 and name   HN) (resid 33 and name  HD1) 0 -1.78 3.51
 assign (resid 33 and name   HN) (resid 33 and name  HE1) 0 -1.78 4.83
 assign (resid 33 and name   HN) (resid 34 and name  HB#) 0 -1.78 5.47 
 assign (resid 33 and name  HB1) (resid 34 and name   HN) 0 -1.78 3.81
 assign (resid 33 and name  HB1) (resid 48 and name   HN) 0 -1.78 4.63
 assign (resid 33 and name  HB2) (resid 34 and name   HN) 0 -1.78 3.81
 assign (resid 33 and name  HB2) (resid 48 and name   HN) 0 -1.78 4.63
 assign (resid 33 and name  HB#) (resid 34 and name   HN) 0 -1.78 3.54
 assign (resid 33 and name  HB#) (resid 48 and name   HN) 0 -1.78 4.40
 assign (resid 33 and name  HD1) (resid 49 and name  HG#) 0 -1.78 6.26 
 assign (resid 33 and name  HD1) (resid 49 and name  HE#) 0 -1.78 6.15 
 assign (resid 33 and name  HE3) (resid 34 and name   HN) 0 -1.78 4.21
 assign (resid 33 and name  HE3) (resid 47 and name   HA) 0 -1.78 4.72
 assign (resid 33 and name  HE3) (resid 47 and name  HB1) 0 -1.78 3.75
 assign (resid 33 and name  HE3) (resid 47 and name  HB2) 0 -1.78 3.75
 assign (resid 33 and name  HE3) (resid 48 and name   HN) 0 -1.78 3.78
 assign (resid 33 and name  HE3) (resid 48 and name   HA) 0 -1.78 3.42
 assign (resid 33 and name  HE3) (resid 49 and name   HN) 0 -1.78 4.60
 assign (resid 33 and name  HE3) (resid 49 and name   HA) 0 -1.78 4.56
 assign (resid 33 and name  HE3) (resid 49 and name  HG#) 0 -1.78 6.22 
 assign (resid 33 and name  HE1) (resid 49 and name  HG#) 0 -1.78 6.13 
 assign (resid 33 and name  HE1) (resid 49 and name  HE#) 0 -1.78 5.78
 assign (resid 33 and name  HZ3) (resid 47 and name  HB1) 0 -1.78 4.46
 assign (resid 33 and name  HZ3) (resid 47 and name  HB2) 0 -1.78 4.46
 assign (resid 33 and name  HZ3) (resid 47 and name  HB#) 0 -1.78 4.29
 assign (resid 33 and name  HZ3) (resid 48 and name   HA) 0 -1.78 3.53
 assign (resid 33 and name  HZ3) (resid 49 and name   HN) 0 -1.78 4.39
 assign (resid 33 and name  HZ3) (resid 49 and name  HG#) 0 -1.78 5.87
 assign (resid 33 and name  HZ2) (resid 49 and name  HG#) 0 -1.78 6.02 
 assign (resid 33 and name  HZ2) (resid 49 and name  HE#) 0 -1.78 5.46 
 assign (resid 33 and name  HH2) (resid 48 and name   HA) 0 -1.78 4.55
 assign (resid 33 and name  HH2) (resid 49 and name  HG#) 0 -1.78 6.27 
 assign (resid 33 and name  HH2) (resid 49 and name  HE#) 0 -1.78 6.58 
 !34 HIS
 assign (resid 34 and name   HN) (resid 34 and name  HB#) 0 -1.78 4.12 
 assign (resid 34 and name   HN) (resid 47 and name   HA) 0 -1.78 4.80
 assign (resid 34 and name   HN) (resid 48 and name   HN) 0 -1.78 3.55
 assign (resid 34 and name   HN) (resid 48 and name  HB#) 0 -1.78 6.81
 assign (resid 34 and name   HN) (resid 49 and name   HA) 0 -1.78 5.27
 assign (resid 34 and name   HA) (resid 35 and name   HN) 0 -1.78 2.83
 assign (resid 34 and name  HB#) (resid 34 and name  HE1) 0 -1.78 5.34 
 assign (resid 34 and name  HB#) (resid 35 and name   HN) 0 -1.78 5.10 
 !35 ASN
 assign (resid 35 and name   HN) (resid 35 and name  HB1) 0 -1.78 3.63
 assign (resid 35 and name   HN) (resid 35 and name  HB2) 0 -1.78 3.63
 assign (resid 35 and name   HN) (resid 35 and name HD2#) 0 -1.78 5.51
 assign (resid 35 and name   HN) (resid 47 and name   HA) 0 -1.78 4.90
 assign (resid 35 and name   HN) (resid 47 and name  HB1) 0 -1.78 5.30
 assign (resid 35 and name   HN) (resid 47 and name  HB2) 0 -1.78 5.30
 assign (resid 35 and name   HA) (resid 36 and name   HN) 0 -1.78 2.90
 assign (resid 35 and name   HA) (resid 47 and name   HA) 0 -1.78 3.51
 assign (resid 35 and name   HA) (resid 48 and name   HN) 0 -1.78 3.60
 assign (resid 35 and name  HB1) (resid 36 and name   HN) 0 -1.78 4.76
 assign (resid 35 and name  HB2) (resid 36 and name   HN) 0 -1.78 4.90 
 !36 CYS
 assign (resid 36 and name   HN) (resid 36 and name  HB2) 0 -1.78 3.62
 assign (resid 36 and name   HN) (resid 37 and name   HN) 0 -1.78 3.17
 assign (resid 36 and name   HN) (resid 47 and name   HA) 0 -1.78 3.27
 assign (resid 36 and name   HA) (resid 37 and name   HN) 0 -1.78 3.48
 assign (resid 36 and name   HA) (resid 37 and name   HA) 0 -1.78 4.88
 assign (resid 36 and name   HA) (resid 48 and name  HB#) 0 -1.78 5.86
 assign (resid 36 and name   HA) (resid 48 and name  HG#) 0 -1.78 6.56 
 assign (resid 36 and name   HA) (resid 48 and name  HD#) 0 -1.78 6.40
 assign (resid 36 and name  HB#) (resid 46 and name   HN) 0 -1.78 5.90 
 !37 LYS
 assign (resid 37 and name   HN) (resid 37 and name  HB1) 0 -1.78 4.15
 assign (resid 37 and name   HN) (resid 37 and name  HB2) 0 -1.78 4.15
 assign (resid 37 and name   HN) (resid 37 and name  HB#) 0 -1.78 3.78
 assign (resid 37 and name   HN) (resid 37 and name  HG#) 0 -1.78 5.73
 assign (resid 37 and name   HN) (resid 38 and name   HN) 0 -1.78 4.29
 assign (resid 37 and name   HA) (resid 38 and name   HN) 0 -1.78 3.07
 assign (resid 37 and name   HA) (resid 38 and name  HB#) 0 -1.78 6.69
 assign (resid 37 and name   HA) (resid 39 and name   HN) 0 -1.78 4.35 
 assign (resid 37 and name   HA) (resid 39 and name  HD2) 0 -1.78 4.58
 assign (resid 37 and name  HB1) (resid 38 and name   HN) 0 -1.78 4.85
 assign (resid 37 and name  HB1) (resid 39 and name   HN) 0 -1.78 4.53
 assign (resid 37 and name  HB2) (resid 38 and name   HN) 0 -1.78 4.85
 assign (resid 37 and name  HB2) (resid 39 and name   HN) 0 -1.78 4.53
 assign (resid 37 and name  HB#) (resid 38 and name   HN) 0 -1.78 4.51
 !38 ALA
 assign (resid 38 and name   HN) (resid 39 and name   HN) 0 -1.78 3.23
 assign (resid 38 and name   HA) (resid 39 and name   HN) 0 -1.78 3.20
 assign (resid 38 and name   HA) (resid 39 and name  HE1) 0 -1.78 5.27
 assign (resid 38 and name  HB#) (resid 39 and name  HD1) 0 -1.78 7.34 
 assign (resid 38 and name  HB#) (resid 39 and name  HE1) 0 -1.78 6.97 
 !39 HIS
 assign (resid 39 and name   HN) (resid 39 and name  HB1) 0 -1.78 4.06
 assign (resid 39 and name   HN) (resid 39 and name  HB2) 0 -1.78 4.06
 assign (resid 39 and name   HN) (resid 39 and name  HB#) 0 -1.78 3.76
 assign (resid 39 and name  HB1) (resid 39 and name  HE1) 0 -1.78 5.00
 assign (resid 39 and name  HB2) (resid 39 and name  HE1) 0 -1.78 5.00
 assign (resid 39 and name  HB#) (resid 39 and name  HE1) 0 -1.78 4.91
 assign (resid 39 and name  HB#) (resid 40 and name   HN) 0 -1.78 6.28 
 !41 PRO
 assign (resid 41 and name   HA) (resid 42 and name   HN) 0 -1.78 3.25
 assign (resid 41 and name  HB1) (resid 42 and name   HN) 0 -1.78 3.76
 assign (resid 41 and name  HB1) (resid 43 and name   HN) 0 -1.78 4.05
 assign (resid 41 and name  HB2) (resid 42 and name   HN) 0 -1.78 3.76
 assign (resid 41 and name  HB2) (resid 43 and name   HN) 0 -1.78 4.05
 assign (resid 41 and name  HB#) (resid 43 and name   HN) 0 -1.78 3.83
 assign (resid 41 and name  HG1) (resid 46 and name   HN) 0 -1.78 4.73
 assign (resid 41 and name  HG2) (resid 46 and name   HN) 0 -1.78 4.73
 assign (resid 41 and name  HG#) (resid 42 and name   HN) 0 -1.78 5.75
 assign (resid 41 and name  HD1) (resid 46 and name   HN) 0 -1.78 4.55
 assign (resid 41 and name  HD1) (resid 46 and name  HB1) 0 -1.78 6.69
 assign (resid 41 and name  HD1) (resid 46 and name  HB2) 0 -1.78 6.69
 assign (resid 41 and name  HD2) (resid 46 and name   HN) 0 -1.78 4.55
 assign (resid 41 and name  HD2) (resid 46 and name  HB1) 0 -1.78 6.69
 assign (resid 41 and name  HD2) (resid 46 and name  HB2) 0 -1.78 6.69
 assign (resid 41 and name  HD#) (resid 46 and name   HN) 0 -1.78 4.39
 assign (resid 41 and name  HD#) (resid 46 and name  HB#) 0 -1.78 5.45
 !42 ASN
 assign (resid 42 and name   HN) (resid 42 and name  HB#) 0 -1.78 3.79
 assign (resid 42 and name   HN) (resid 43 and name   HN) 0 -1.78 3.32
 assign (resid 42 and name   HN) (resid 43 and name   HA) 0 -1.78 4.21
 assign (resid 42 and name   HA) (resid 43 and name   HN) 0 -1.78 3.23
 assign (resid 42 and name   HA) (resid 43 and name   HA) 0 -1.78 4.33
 assign (resid 42 and name  HB#) (resid 43 and name   HA) 0 -1.78 5.59
 assign (resid 42 and name  HB#) (resid 43 and name HG1#) 0 -1.78 6.19
 !43 ILE
 assign (resid 43 and name   HN) (resid 43 and name   HB) 0 -1.78 3.68
 assign (resid 43 and name   HN) (resid 43 and name HG1#) 0 -1.78 5.31
 assign (resid 43 and name   HN) (resid 44 and name   HN) 0 -1.78 2.70
 assign (resid 43 and name   HA) (resid 44 and name   HN) 0 -1.78 2.64
 assign (resid 43 and name   HB) (resid 44 and name   HN) 0 -1.78 4.81
 assign (resid 43 and name HG2#) (resid 44 and name   HN) 0 -1.78 5.68
 assign (resid 43 and name HG1#) (resid 44 and name   HN) 0 -1.78 5.74
 !44 GLY
 assign (resid 44 and name   HN) (resid 45 and name   HN) 0 -1.78 3.95
 assign (resid 44 and name  HA1) (resid 45 and name  HD1) 0 -1.78 4.54
 assign (resid 44 and name  HA2) (resid 45 and name  HD1) 0 -1.78 4.54
 assign (resid 44 and name  HA#) (resid 45 and name  HD1) 0 -1.78 4.21
 !45 TRP
 assign (resid 45 and name   HN) (resid 45 and name  HD1) 0 -1.78 3.96
 assign (resid 45 and name  HB1) (resid 46 and name   HN) 0 -1.78 4.89
 assign (resid 45 and name  HB2) (resid 46 and name   HN) 0 -1.78 4.89
 assign (resid 45 and name  HB#) (resid 46 and name   HN) 0 -1.78 4.35
 !46 CYS
 assign (resid 46 and name   HN) (resid 46 and name  HB1) 0 -1.78 3.91
 assign (resid 46 and name   HN) (resid 46 and name  HB2) 0 -1.78 3.91
 assign (resid 46 and name   HN) (resid 46 and name  HB#) 0 -1.78 3.67
 assign (resid 46 and name   HN) (resid 47 and name   HN) 0 -1.78 4.66
 assign (resid 46 and name   HA) (resid 47 and name   HN) 0 -1.78 2.69
 assign (resid 46 and name   HA) (resid 47 and name   HA) 0 -1.78 4.50 
 assign (resid 46 and name  HB#) (resid 47 and name   HN) 0 -1.78 5.86
 !47 CYS
 assign (resid 47 and name   HN) (resid 47 and name  HB1) 0 -1.78 3.98
 assign (resid 47 and name   HN) (resid 47 and name  HB2) 0 -1.78 3.98
 assign (resid 47 and name   HA) (resid 48 and name   HN) 0 -1.78 2.71
 assign (resid 47 and name   HA) (resid 48 and name  HB#) 0 -1.78 5.41
 assign (resid 47 and name   HA) (resid 48 and name  HG#) 0 -1.78 6.04
 assign (resid 47 and name   HA) (resid 48 and name  HD#) 0 -1.78 5.73
 assign (resid 47 and name  HB1) (resid 48 and name   HN) 0 -1.78 3.60
 assign (resid 47 and name  HB1) (resid 48 and name   HA) 0 -1.78 4.36
 assign (resid 47 and name  HB2) (resid 48 and name   HN) 0 -1.78 3.60
 assign (resid 47 and name  HB2) (resid 48 and name   HA) 0 -1.78 4.36
 assign (resid 47 and name  HB#) (resid 48 and name   HN) 0 -1.78 3.36
 assign (resid 47 and name  HB#) (resid 48 and name   HA) 0 -1.78 4.18
 !48 LYS
 assign (resid 48 and name   HN) (resid 48 and name  HB1) 0 -1.78 3.93
 assign (resid 48 and name   HN) (resid 48 and name  HB2) 0 -1.78 3.93
 assign (resid 48 and name   HN) (resid 48 and name  HG#) 0 -1.78 4.95
 assign (resid 48 and name   HN) (resid 48 and name  HD1) 0 -1.78 4.50
 assign (resid 48 and name   HN) (resid 48 and name  HD2) 0 -1.78 4.50
 assign (resid 48 and name   HN) (resid 49 and name   HN) 0 -1.78 4.26
 assign (resid 48 and name   HA) (resid 48 and name  HG1) 0 -1.78 4.05
 assign (resid 48 and name   HA) (resid 48 and name  HG2) 0 -1.78 4.05
 assign (resid 48 and name   HA) (resid 48 and name  HD1) 0 -1.78 3.57
 assign (resid 48 and name   HA) (resid 48 and name  HD2) 0 -1.78 3.57
 assign (resid 48 and name   HA) (resid 48 and name  HD#) 0 -1.78 4.66
 assign (resid 48 and name   HA) (resid 49 and name   HN) 0 -1.78 2.72
 assign (resid 48 and name   HA) (resid 49 and name   HA) 0 -1.78 4.40
 assign (resid 48 and name  HB#) (resid 48 and name  HE#) 0 -1.78 5.26
 assign (resid 48 and name  HB#) (resid 49 and name   HN) 0 -1.78 4.83
 assign (resid 48 and name  HG1) (resid 49 and name   HN) 0 -1.78 3.86
 assign (resid 48 and name  HG2) (resid 49 and name   HN) 0 -1.78 3.86
 assign (resid 48 and name  HD#) (resid 49 and name   HN) 0 -1.78 4.75
 !49 LYS
 assign (resid 49 and name   HN) (resid 49 and name  HB1) 0 -1.78 3.71
 assign (resid 49 and name   HN) (resid 49 and name  HB2) 0 -1.78 3.87
 assign (resid 49 and name   HN) (resid 49 and name  HG#) 0 -1.78 4.59
 assign (resid 49 and name   HA) (resid 49 and name  HG#) 0 -1.78 3.85
 !NON_NOEs
 !3 PRO
 assign (resid  3 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name   HA) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB2) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB1) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB#) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB2) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB1) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB#) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB2) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB1) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB#) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB2) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB1) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB#) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB2) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB1) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  3 and name  HB#) (resid 20 and name   HN) 0 -3.50 1000.00
 !4 CYSS
 assign (resid  4 and name   HN) (resid  7 and name  HB2) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  7 and name  HB1) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  8 and name   HA) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  8 and name  HB2) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  8 and name  HB1) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid  9 and name   HA) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 18 and name   HA) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 20 and name  HA1) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 20 and name  HA2) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 20 and name  HA#) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid  4 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid  4 and name   HA) (resid  6 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HA) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name   HA) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid  6 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  4 and name  HB#) (resid 38 and name   HN) 0 -3.50 1000.00
 !5 LEU
 assign (resid  5 and name   HN) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  7 and name  HB#) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  8 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  8 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  9 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  9 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid  9 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 14 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 14 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 16 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 16 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 17 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 17 and name   HB) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 18 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 18 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 18 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 19 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 20 and name  HA1) 0 -3.50 1000.00 
 assign (resid  5 and name   HN) (resid 20 and name  HA2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 20 and name  HA#) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 35 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 35 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 37 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 39 and name   HA) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 40 and name  HA1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 40 and name  HA2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid  5 and name   HN) (resid 46 and name  HB#) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid  7 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name   HA) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid  7 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid  7 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB2) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid  5 and name  HB1) (resid 47 and name   HN) 0 -3.50 1000.00
 
 !6 ASP
 assign (resid  6 and name   HN) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid  8 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid  8 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid  9 and name   HA) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 13 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 13 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 18 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 18 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 19 and name   HA) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 20 and name  HA1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 20 and name  HA2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 20 and name  HA#) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 35 and name   HA) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 37 and name   HA) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  6 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid  8 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name   HA) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB2) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  6 and name  HB1) (resid 39 and name   HN) 0 -3.50 1000.00
 !7 ASP
 assign (resid  7 and name   HN) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid  9 and name  HB1) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid  9 and name  HB2) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 12 and name  HB#) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 19 and name   HA) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 35 and name  HB1) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 35 and name  HB2) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 36 and name   HA) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 37 and name  HG#) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 39 and name   HA) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 40 and name  HA1) 0 -3.50 1000.00
 assign (resid  7 and name   HN) (resid 40 and name  HA2) 0 -3.50 1000.00
 assign (resid  7 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HA) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HA) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name   HA) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid  9 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 16 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 16 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB1) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid  7 and name  HB2) (resid 47 and name   HN) 0 -3.50 1000.00
 !8 SER
 assign (resid  8 and name   HN) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 12 and name  HB#) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 13 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 13 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 13 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 14 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 14 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 16 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 16 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 16 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 20 and name  HA1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 20 and name  HA2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 35 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 35 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 35 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 36 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 37 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 40 and name  HA1) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 40 and name  HA2) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 40 and name  HA#) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 47 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HN) (resid 48 and name  HB#) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 10 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 12 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 34 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 35 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 41 and name   HA) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name   HA) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 21 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 34 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 34 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 35 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 35 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB2) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid  8 and name  HB1) (resid 48 and name   HN) 0 -3.50 1000.00
 !9 ASP
 assign (resid  9 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 35 and name   HA) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 37 and name   HA) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 39 and name  HB2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 39 and name  HB1) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 40 and name  HA1) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 40 and name  HA2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 48 and name  HB#) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 41 and name  HB2) 0 -3.50 1000.00
 assign (resid  9 and name   HN) (resid 41 and name  HB1) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name   HA) (resid 41 and name   HA) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 12 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 12 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB2) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid  9 and name  HB1) (resid 40 and name   HN) 0 -3.50 1000.00
 !10 GLY
 assign (resid 10 and name   HN) (resid 12 and name   HN) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 12 and name  HB#) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 36 and name   HA) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 41 and name   HA) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 41 and name  HB2) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 41 and name  HB1) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 47 and name   HA) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 47 and name  HB2) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 47 and name  HB1) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 48 and name   HA) 0 -3.50 1000.00
 assign (resid 10 and name   HN) (resid 48 and name  HB#) 0 -3.50 1000.00
 assign (resid 10 and name  HA#) (resid 12 and name   HN) 0 -3.50 1000.00
 assign (resid 10 and name  HA#) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid 10 and name  HA#) (resid 34 and name   HA) 0 -3.50 1000.00
 assign (resid 10 and name  HA#) (resid 48 and name   HN) 0 -3.50 1000.00
 !12 ARG
 assign (resid 12 and name   HN) (resid 16 and name  HB2) 0 -3.50 1000.00
 assign (resid 12 and name   HN) (resid 16 and name  HB1) 0 -3.50 1000.00
 assign (resid 12 and name   HN) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 12 and name   HN) (resid 17 and name   HA) 0 -3.50 1000.00
 assign (resid 12 and name   HA) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid 12 and name   HA) (resid 14 and name   HA) 0 -3.50 1000.00
 assign (resid 12 and name   HA) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 12 and name  HB#) (resid 14 and name   HN) 0 -3.50 1000.00
 assign (resid 12 and name  HB#) (resid 17 and name   HN) 0 -3.50 1000.00
 !13 PRO
 assign (resid 13 and name   HA) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name   HA) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB2) (resid 15 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB1) (resid 15 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB2) (resid 16 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB1) (resid 16 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB2) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB1) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB2) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 13 and name  HB1) (resid 40 and name   HN) 0 -3.50 1000.00
 !14 ARG
 assign (resid 14 and name   HN) (resid 16 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 16 and name  HB2) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 16 and name  HB1) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 17 and name  HB#) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 19 and name  HB2) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 19 and name  HB1) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 39 and name   HA) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 39 and name  HB2) 0 -3.50 1000.00
 assign (resid 14 and name   HN) (resid 39 and name  HB1) 0 -3.50 1000.00
 assign (resid 14 and name   HA) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name   HA) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name  HB#) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name  HB#) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name  HB#) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid 14 and name  HB#) (resid 38 and name   HN) 0 -3.50 1000.00
 !15 GLY
 assign (resid 15 and name   HN) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 15 and name   HN) (resid 39 and name  HB2) 0 -3.50 1000.00
 assign (resid 15 and name   HN) (resid 39 and name  HB1) 0 -3.50 1000.00
 assign (resid 15 and name  HA#) (resid 17 and name   HN) 0 -3.50 1000.00
 assign (resid 15 and name  HA#) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid 15 and name  HA#) (resid 39 and name   HN) 0 -3.50 1000.00
 !16 ASN
 assign (resid 16 and name   HN) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name   HN) (resid 39 and name  HB2) 0 -3.50 1000.00
 assign (resid 16 and name   HN) (resid 39 and name  HB1) 0 -3.50 1000.00
 assign (resid 16 and name   HA) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name  HB2) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name  HB1) (resid 18 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name  HB2) (resid 19 and name   HN) 0 -3.50 1000.00
 assign (resid 16 and name  HB1) (resid 19 and name   HN) 0 -3.50 1000.00
 !17 THR
 assign (resid 17 and name   HN) (resid 41 and name  HB2) 0 -3.50 1000.00
 assign (resid 17 and name   HN) (resid 41 and name  HB1) 0 -3.50 1000.00
 !18 LEU
 assign (resid 18 and name  HB2) (resid 20 and name   HN) 0 -3.50 1000.00
 assign (resid 18 and name  HB1) (resid 20 and name   HN) 0 -3.50 1000.00
 !19 SER
 assign (resid 19 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 37 and name  HB2) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 37 and name  HB1) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 38 and name   HA) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid 19 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid 19 and name  HB2) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB1) (resid 36 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB2) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB1) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB2) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB1) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB2) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 19 and name  HB1) (resid 49 and name   HN) 0 -3.50 1000.00
 !20 GLY
 assign (resid 20 and name   HN) (resid 38 and name  HB#) 0 -3.50 1000.00
 assign (resid 20 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid 20 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid 20 and name   HN) (resid 48 and name  HB#) 0 -3.50 1000.00
 assign (resid 20 and name  HA1) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA2) (resid 22 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA1) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA2) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA1) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 20 and name  HA2) (resid 49 and name   HN) 0 -3.50 1000.00
 !21 ILE
 assign (resid 21 and name   HN) (resid 36 and name  HB2) 0 -3.50 1000.00
 assign (resid 21 and name   HN) (resid 36 and name  HB1) 0 -3.50 1000.00
 assign (resid 21 and name   HN) (resid 48 and name   HA) 0 -3.50 1000.00
 assign (resid 21 and name  HB#) (resid 47 and name   HN) 0 -3.50 1000.00
 !22 LEU
 assign (resid 22 and name   HA) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 22 and name   HA) (resid 46 and name   HN) 0 -3.50 1000.00
 !23 TRP
 assign (resid 23 and name   HN) (resid 44 and name  HA2) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 44 and name  HA1) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 45 and name  HB2) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 45 and name  HB1) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 47 and name  HB2) 0 -3.50 1000.00
 assign (resid 23 and name   HN) (resid 47 and name  HB1) 0 -3.50 1000.00
 assign (resid 23 and name  HB2) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB1) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB1) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB2) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB1) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB2) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 23 and name  HB1) (resid 47 and name   HN) 0 -3.50 1000.00
 !24 PHE 
 assign (resid 24 and name   HN) (resid 45 and name  HB2) 0 -3.50 1000.00
 assign (resid 24 and name   HN) (resid 45 and name  HB1) 0 -3.50 1000.00
 assign (resid 24 and name   HA) (resid 44 and name   HN) 0 -3.50 1000.00
 !25 TYR
 assign (resid 25 and name   HN) (resid 28 and name  HA1) 0 -3.50 1000.00
 assign (resid 25 and name   HN) (resid 28 and name  HA2) 0 -3.50 1000.00
 assign (resid 25 and name   HN) (resid 29 and name   HA) 0 -3.50 1000.00
 assign (resid 25 and name   HN) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name   HN) (resid 45 and name  HB2) 0 -3.50 1000.00
 assign (resid 25 and name   HN) (resid 45 and name  HB1) 0 -3.50 1000.00
 assign (resid 25 and name  HB2) (resid 28 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name  HB1) (resid 28 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name  HB2) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name  HB1) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name  HB2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 25 and name  HB1) (resid 44 and name   HN) 0 -3.50 1000.00
 !26 PRO
 assign (resid 26 and name   HA) (resid 44 and name   HN) 0 -3.50 1000.00
 !27 SER
 assign (resid 27 and name   HN) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 27 and name   HN) (resid 43 and name   HA) 0 -3.50 1000.00
 assign (resid 27 and name   HN) (resid 44 and name  HA1) 0 -3.50 1000.00
 assign (resid 27 and name   HN) (resid 44 and name  HA2) 0 -3.50 1000.00
 assign (resid 27 and name  HB2) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 27 and name  HB1) (resid 29 and name   HN) 0 -3.50 1000.00
 assign (resid 27 and name  HB2) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 27 and name  HB1) (resid 43 and name   HN) 0 -3.50 1000.00
 !28 GLY
 assign (resid 28 and name   HN) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name   HN) (resid 43 and name   HA) 0 -3.50 1000.00
 assign (resid 28 and name   HN) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA1) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA1) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 28 and name  HA2) (resid 46 and name   HN) 0 -3.50 1000.00
 !29 CYSS
 assign (resid 29 and name   HN) (resid 42 and name   HN) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 42 and name   HA) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 43 and name   HN) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 44 and name  HA1) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 44 and name  HA2) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 45 and name  HB2) 0 -3.50 1000.00
 assign (resid 29 and name   HN) (resid 45 and name  HB1) 0 -3.50 1000.00
 assign (resid 29 and name   HA) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 29 and name   HA) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 29 and name  HB#) (resid 31 and name   HN) 0 -3.50 1000.00
 assign (resid 29 and name  HB#) (resid 44 and name   HN) 0 -3.50 1000.00
 !33 TRP
 assign (resid 33 and name   HA) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 33 and name  HB2) (resid 35 and name   HN) 0 -3.50 1000.00
 assign (resid 33 and name  HB1) (resid 35 and name   HN) 0 -3.50 1000.00
 assign (resid 33 and name  HB2) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 33 and name  HB1) (resid 49 and name   HN) 0 -3.50 1000.00
 !34 HIS
 assign (resid 34 and name   HN) (resid 47 and name  HB2) 0 -3.50 1000.00
 assign (resid 34 and name   HN) (resid 47 and name  HB1) 0 -3.50 1000.00
 assign (resid 34 and name   HN) (resid 49 and name   HN) 0 -3.50 1000.00
 !35 ASN
 assign (resid 35 and name   HN) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name   HN) (resid 42 and name   HA) 0 -3.50 1000.00
 assign (resid 35 and name   HN) (resid 43 and name   HA) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 37 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB2) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 35 and name  HB1) (resid 48 and name   HN) 0 -3.50 1000.00
 !36 CYSS
 assign (resid 36 and name   HN) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 39 and name   HA) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 46 and name  HB2) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 48 and name  HB2) 0 -3.50 1000.00
 assign (resid 36 and name   HN) (resid 48 and name  HB1) 0 -3.50 1000.00
 assign (resid 36 and name   HA) (resid 38 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name   HA) (resid 47 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name   HA) (resid 48 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 36 and name  HB#) (resid 46 and name   HN) 0 -3.50 1000.00
 !37 LYS
 assign (resid 37 and name   HN) (resid 39 and name   HN) 0 -3.50 1000.00
 assign (resid 37 and name   HN) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 37 and name   HN) (resid 46 and name  HB1) 0 -3.50 1000.00
 assign (resid 37 and name   HN) (resid 48 and name  HB2) 0 -3.50 1000.00
 assign (resid 37 and name   HN) (resid 47 and name   HA) 0 -3.50 1000.00
 assign (resid 37 and name  HB#) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 37 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 37 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 37 and name  HB#) (resid 46 and name   HN) 0 -3.50 1000.00
 
 !38 ALA
 assign (resid 38 and name  HB#) (resid 40 and name   HN) 0 -3.50 1000.00
 assign (resid 38 and name  HB#) (resid 46 and name   HN) 0 -3.50 1000.00
 !40 GLY 
 assign (resid 40 and name   HN) (resid 42 and name  HB#) 0 -3.50 1000.00
 !41 PRO
 assign (resid 41 and name  HB2) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 41 and name  HB1) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 41 and name  HB2) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 41 and name  HB1) (resid 45 and name   HN) 0 -3.50 1000.00
 assign (resid 41 and name  HB2) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 41 and name  HB1) (resid 46 and name   HN) 0 -3.50 1000.00
 !42 ASN
 assign (resid 42 and name   HN) (resid 44 and name   HN) 0 -3.50 1000.00
 assign (resid 42 and name   HN) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 42 and name   HN) (resid 48 and name   HA) 0 -3.50 1000.00
 assign (resid 42 and name   HA) (resid 44 and name   HN) 0 -3.50 1000.00
 !43 ILE
 assign (resid 43 and name   HN) (resid 45 and name   HN) 0 -3.50 1000.00
 !44 GLY
 assign (resid 44 and name   HN) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 44 and name  HA1) (resid 46 and name   HN) 0 -3.50 1000.00
 assign (resid 44 and name  HA2) (resid 46 and name   HN) 0 -3.50 1000.00
 !47 CYSS
 assign (resid 47 and name  HB2) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 47 and name  HB1) (resid 49 and name   HN) 0 -3.50 1000.00
 assign (resid 47 and name  HB#) (resid 49 and name   HN) 0 -3.50 1000.00
constraints
        dihedral

        reset

                assign (resid  1 and name c) (resid  2 and name  n)
                  (resid  2 and name ca) (resid  2 and name c)  1 -120.0 30.0 2
                assign (resid  3 and name c) (resid  4 and name  n)
                  (resid  4 and name ca) (resid  4 and name c)  1 -120.0 30.0 2
                assign (resid  4 and name c) (resid  5 and name  n)
                  (resid  5 and name ca) (resid  5 and name c)  1 -120.0 40.0 2
                assign (resid  5 and name c) (resid  6 and name  n)
                  (resid  6 and name ca) (resid  6 and name c)  1 -120.0 50.0 2
                assign (resid 11 and name c) (resid 12 and name  n)
                  (resid 12 and name ca) (resid 12 and name c)  1 -120.0 30.0 2
                assign (resid 16 and name c) (resid 17 and name  n)
                  (resid 17 and name ca) (resid 17 and name c)  1 -120.0 30.0 2
                assign (resid 18 and name c) (resid 19 and name  n)
                  (resid 19 and name ca) (resid 19 and name c)  1 -120.0 30.0 2
                assign (resid 20 and name c) (resid 21 and name  n)
                  (resid 21 and name ca) (resid 21 and name c)  1 -120.0 30.0 2
                assign (resid 22 and name c) (resid 23 and name  n)
                  (resid 23 and name ca) (resid 23 and name c)  1 -120.0 30.0 2
                assign (resid 23 and name c) (resid 24 and name  n)
                  (resid 24 and name ca) (resid 24 and name c)  1 -120.0 30.0 2
                assign (resid 24 and name c) (resid 25 and name  n)
                  (resid 25 and name ca) (resid 25 and name c)  1 -120.0 30.0 2
                assign (resid 32 and name c) (resid 33 and name  n)
                  (resid 33 and name ca) (resid 33 and name c)  1 -120.0 30.0 2
                assign (resid 33 and name c) (resid 34 and name  n)
                  (resid 34 and name ca) (resid 34 and name c)  1 -120.0 30.0 2
                assign (resid 35 and name c) (resid 36 and name  n)
                  (resid 36 and name ca) (resid 36 and name c)  1 -120.0 30.0 2
                assign (resid 36 and name c) (resid 37 and name  n)
                  (resid 37 and name ca) (resid 37 and name c)  1 -120.0 30.0 2
                assign (resid 38 and name c) (resid 39 and name  n)
                  (resid 39 and name ca) (resid 39 and name c)  1 -120.0 30.0 2
                assign (resid 41 and name c) (resid 42 and name  n)
                  (resid 42 and name ca) (resid 42 and name c)  1 -60.0 30.0 2
                assign (resid 45 and name c) (resid 46 and name  n)
                  (resid 46 and name ca) (resid 46 and name c)  1 -120.0 30.0 2
                assign (resid 46 and name c) (resid 47 and name  n)
                  (resid 47 and name ca) (resid 47 and name c)  1 -120.0 30.0 2
                assign (resid 47 and name c) (resid 48 and name  n)
                  (resid 48 and name ca) (resid 48 and name c)  1 -120.0 30.0 2
                assign (resid 48 and name c) (resid 49 and name  n)
                  (resid 49 and name ca) (resid 49 and name c)  1 -120.0 40.0 2

!chi angles
                assign (resid  5 and name n) (resid  5 and name  ca)
                  (resid  5 and name cb) (resid  5 and name cg)  1 180.0 40.0 2
                assign (resid 23 and name n) (resid 23 and name  ca)
                  (resid 23 and name cb) (resid 23 and name cg)  1 -60.0 40.0 2
                assign (resid 24 and name n) (resid 24 and name  ca)
                  (resid 24 and name cb) (resid 24 and name cg)  1 -60.0 40.0 2
                assign (resid 25 and name n) (resid 25 and name  ca)
                  (resid 25 and name cb) (resid 25 and name cg)  1 -60.0 40.0 2
                assign (resid 27 and name n) (resid 27 and name  ca)
                  (resid 27 and name cb) (resid 27 and name og)  1 60.0 40.0 2
                assign (resid 36 and name n) (resid 36 and name  ca)
                  (resid 36 and name cb) (resid 36 and name sg)  1 60.0 40.0 2
                assign (resid 49 and name n) (resid 49 and name  ca)
                  (resid 49 and name cb) (resid 49 and name cg)  1 -60.0 40.0 2

!keep G40-P41 in cis conformation
                assign (resid 40 and name ca) (resid 40 and name c)
                  (resid 41 and name n) (resid 41 and name ca)   1   0.0  5.0 2
        end
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  43.001   7.106   7.770
    2   2H    GLY   1          3H        GLY   1  43.439   5.491   8.070
    3   3H    GLY   1          2H        GLY   1  44.453   6.487   7.133
    4   1HA   GLY   1          2HA       GLY   1  43.394   5.892   5.291
    5   2HA   GLY   1          1HA       GLY   1  42.343   4.852   6.261
    6    H    VAL   2           H        VAL   2  41.150   5.969   4.122
    7    HA   VAL   2           HA       VAL   2  39.529   8.194   5.265
    8    HB   VAL   2           HB       VAL   2  40.159   7.667   2.334
    9   1HG1  VAL   2          1HG1      VAL   2  38.071   8.928   2.680
   10   2HG1  VAL   2          3HG1      VAL   2  38.925  10.110   3.664
   11   3HG1  VAL   2          2HG1      VAL   2  39.286   9.957   1.954
   12   1HG2  VAL   2          3HG2      VAL   2  41.429   9.714   4.216
   13   2HG2  VAL   2          2HG2      VAL   2  42.250   8.337   3.507
   14   3HG2  VAL   2          1HG2      VAL   2  41.706   9.644   2.483
   15    HA   PRO   3           HA       PRO   3  36.199   5.400   4.025
   16   1HB   PRO   3          2HB       PRO   3  34.031   6.717   4.853
   17   2HB   PRO   3          1HB       PRO   3  35.155   6.109   6.065
   18   1HG   PRO   3          2HG       PRO   3  35.139   8.902   4.762
   19   2HG   PRO   3          1HG       PRO   3  35.082   8.539   6.490
   20   1HD   PRO   3          2HD       PRO   3  37.433   9.075   5.245
   21   2HD   PRO   3          1HD       PRO   3  37.376   7.869   6.550
   22    H    CYS   4           H        CYS   4  34.940   5.270   2.160
   23    HA   CYS   4           HA       CYS   4  34.582   7.799   0.622
   24   1HB   CYS   4          2HB       CYS   4  35.301   6.198  -1.408
   25   2HB   CYS   4          1HB       CYS   4  36.432   7.180  -0.532
   26    H    LEU   5           H        LEU   5  33.247   7.425  -1.355
   27    HA   LEU   5           HA       LEU   5  30.808   6.011  -0.583
   28   1HB   LEU   5          2HB       LEU   5  31.071   8.424  -1.567
   29   2HB   LEU   5          1HB       LEU   5  31.317   7.658  -3.119
   30    HG   LEU   5           HG       LEU   5  28.856   7.120  -1.406
   31   1HD1  LEU   5          2HD1      LEU   5  28.995   9.542  -1.811
   32   2HD1  LEU   5          1HD1      LEU   5  29.190   9.273  -3.538
   33   3HD1  LEU   5          3HD1      LEU   5  27.683   8.840  -2.740
   34   1HD2  LEU   5          3HD2      LEU   5  29.302   6.917  -4.443
   35   2HD2  LEU   5          2HD2      LEU   5  29.215   5.536  -3.382
   36   3HD2  LEU   5          1HD2      LEU   5  27.816   6.536  -3.601
   37    H    CYS   6           H        CYS   6  29.923   4.357  -1.854
   38    HA   CYS   6           HA       CYS   6  31.715   3.109  -3.825
   39   1HB   CYS   6          2HB       CYS   6  30.110   1.335  -2.026
   40   2HB   CYS   6          1HB       CYS   6  31.651   1.178  -2.808
   41    H    ASP   7           H        ASP   7  30.526   0.884  -4.391
   42    HA   ASP   7           HA       ASP   7  28.596   1.677  -6.430
   43   1HB   ASP   7          2HB       ASP   7  30.173  -0.096  -7.010
   44   2HB   ASP   7          1HB       ASP   7  29.663  -1.060  -5.633
   45    H    SER   8           H        SER   8  28.301  -0.826  -3.903
   46    HA   SER   8           HA       SER   8  25.358  -0.618  -4.140
   47   1HB   SER   8          2HB       SER   8  25.474  -2.492  -2.374
   48   2HB   SER   8          1HB       SER   8  26.361  -2.883  -3.860
   49    HG   SER   8           HG       SER   8  27.313  -2.401  -1.366
   50    H    ASP   9           H        ASP   9  27.303   1.411  -3.034
   51    HA   ASP   9           HA       ASP   9  26.769   1.829  -0.231
   52   1HB   ASP   9          2HB       ASP   9  28.757   2.665  -1.282
   53   2HB   ASP   9          1HB       ASP   9  27.915   3.591  -2.478
   54    H    GLY  10           H        GLY  10  24.589   1.411  -0.349
   55   1HA   GLY  10          2HA       GLY  10  22.908   3.824  -0.626
   56   2HA   GLY  10          1HA       GLY  10  22.429   2.439  -1.609
   57    HA   PRO  11           HA       PRO  11  20.299   0.847   1.886
   58   1HB   PRO  11          2HB       PRO  11  20.288  -1.830   1.598
   59   2HB   PRO  11          1HB       PRO  11  19.577  -0.808   0.341
   60   1HG   PRO  11          2HG       PRO  11  22.491  -1.806   0.488
   61   2HG   PRO  11          1HG       PRO  11  21.323  -2.130  -0.802
   62   1HD   PRO  11          2HD       PRO  11  22.968  -0.025  -1.095
   63   2HD   PRO  11          1HD       PRO  11  21.257   0.220  -1.457
   64    H    ARG  12           H        ARG  12  23.167   1.363   2.418
   65    HA   ARG  12           HA       ARG  12  23.789  -0.743   4.419
   66   1HB   ARG  12          2HB       ARG  12  25.364   1.575   3.269
   67   2HB   ARG  12          1HB       ARG  12  25.954   0.695   4.673
   68   1HG   ARG  12          2HG       ARG  12  25.474  -1.456   3.285
   69   2HG   ARG  12          1HG       ARG  12  25.328  -0.398   1.895
   70   1HD   ARG  12          2HD       ARG  12  27.616   0.357   2.126
   71   2HD   ARG  12          1HD       ARG  12  27.785  -0.460   3.679
   72    HE   ARG  12           HE       ARG  12  27.976  -1.720   1.055
   73   1HH1  ARG  12          2HH1      ARG  12  25.781  -3.135   2.609
   74   2HH1  ARG  12          1HH1      ARG  12  26.671  -4.360   3.449
   75   1HH2  ARG  12          1HH2      ARG  12  29.757  -2.834   2.834
   76   2HH2  ARG  12          2HH2      ARG  12  28.997  -4.195   3.574
   77    HA   PRO  13           HA       PRO  13  22.369   1.497   7.936
   78   1HB   PRO  13          2HB       PRO  13  23.717   0.295   9.957
   79   2HB   PRO  13          1HB       PRO  13  22.759  -0.694   8.863
   80   1HG   PRO  13          2HG       PRO  13  25.729   0.033   8.497
   81   2HG   PRO  13          1HG       PRO  13  25.060  -1.587   8.756
   82   1HD   PRO  13          2HD       PRO  13  25.393  -0.726   6.244
   83   2HD   PRO  13          1HD       PRO  13  23.870  -1.544   6.643
   84    H    ARG  14           H        ARG  14  24.263   1.978  10.176
   85    HA   ARG  14           HA       ARG  14  24.784   4.664   9.894
   86   1HB   ARG  14          2HB       ARG  14  26.218   2.507  11.468
   87   2HB   ARG  14          1HB       ARG  14  26.862   4.135  11.493
   88   1HG   ARG  14          2HG       ARG  14  25.345   3.836  13.398
   89   2HG   ARG  14          1HG       ARG  14  24.676   5.012  12.290
   90   1HD   ARG  14          2HD       ARG  14  23.142   3.240  11.358
   91   2HD   ARG  14          1HD       ARG  14  23.805   2.091  12.519
   92    HE   ARG  14           HE       ARG  14  22.646   3.247  14.266
   93   1HH1  ARG  14          1HH2      ARG  14  23.185   6.021  13.586
   94   2HH1  ARG  14          2HH2      ARG  14  21.660   6.622  13.044
   95   1HH2  ARG  14          2HH1      ARG  14  20.381   3.391  12.516
   96   2HH2  ARG  14          1HH1      ARG  14  20.020   5.076  12.398
   97    H    GLY  15           H        GLY  15  26.221   5.948   8.930
   98   1HA   GLY  15          2HA       GLY  15  28.297   6.535   7.854
   99   2HA   GLY  15          1HA       GLY  15  28.637   4.824   7.589
  100    H    ASN  16           H        ASN  16  26.095   4.180   6.592
  101    HA   ASN  16           HA       ASN  16  25.327   3.656   4.481
  102   1HB   ASN  16          2HB       ASN  16  23.739   5.144   5.652
  103   2HB   ASN  16          1HB       ASN  16  24.458   6.546   4.860
  104   1HD2  ASN  16          2HD2      ASN  16  22.016   4.103   2.754
  105   2HD2  ASN  16          1HD2      ASN  16  22.518   3.638   4.312
  106    H    THR  17           H        THR  17  26.371   6.991   4.020
  107    HA   THR  17           HA       THR  17  27.112   6.312   1.270
  108    HB   THR  17           HB       THR  17  27.276   8.894   0.988
  109    HG1  THR  17           HG1      THR  17  27.600   9.728   2.918
  110   1HG2  THR  17          3HG2      THR  17  25.010   7.711   0.679
  111   2HG2  THR  17          2HG2      THR  17  24.702   7.970   2.385
  112   3HG2  THR  17          1HG2      THR  17  24.851   9.343   1.304
  113    H    LEU  18           H        LEU  18  28.550   6.074   3.837
  114    HA   LEU  18           HA       LEU  18  31.291   6.334   2.746
  115   1HB   LEU  18          2HB       LEU  18  30.314   7.896   5.176
  116   2HB   LEU  18          1HB       LEU  18  32.002   7.493   5.032
  117    HG   LEU  18           HG       LEU  18  30.443   9.157   2.988
  118   1HD1  LEU  18          1HD1      LEU  18  32.527   9.971   5.084
  119   2HD1  LEU  18          3HD1      LEU  18  31.799  11.052   3.908
  120   3HD1  LEU  18          2HD1      LEU  18  30.816  10.344   5.181
  121   1HD2  LEU  18          1HD2      LEU  18  33.437   8.563   3.247
  122   2HD2  LEU  18          3HD2      LEU  18  32.392   7.922   1.994
  123   3HD2  LEU  18          2HD2      LEU  18  32.722   9.637   2.064
  124    H    SER  19           H        SER  19  29.527   4.121   3.634
  125    HA   SER  19           HA       SER  19  30.872   3.158   6.096
  126   1HB   SER  19          2HB       SER  19  28.755   1.801   4.360
  127   2HB   SER  19          1HB       SER  19  29.269   1.266   5.965
  128    HG   SER  19           HG       SER  19  28.003   2.783   6.772
  129    H    GLY  20           H        GLY  20  32.688   3.474   4.031
  130   1HA   GLY  20          2HA       GLY  20  33.803   0.772   3.871
  131   2HA   GLY  20          1HA       GLY  20  33.408   1.503   2.308
  132    H    ILE  21           H        ILE  21  36.097   0.883   3.436
  133    HA   ILE  21           HA       ILE  21  37.212   3.678   3.549
  134    HB   ILE  21           HB       ILE  21  38.473   1.086   4.525
  135   1HG1  ILE  21          2HG1      ILE  21  36.532   1.567   5.987
  136   2HG1  ILE  21          1HG1      ILE  21  37.996   1.898   6.883
  137   1HG2  ILE  21          1HG2      ILE  21  39.437   3.906   4.994
  138   2HG2  ILE  21          3HG2      ILE  21  40.118   2.465   5.718
  139   3HG2  ILE  21          2HG2      ILE  21  40.203   2.688   3.987
  140   1HD1  ILE  21          1HD1      ILE  21  37.729   4.347   6.370
  141   2HD1  ILE  21          3HD1      ILE  21  36.230   3.974   5.532
  142   3HD1  ILE  21          2HD1      ILE  21  36.358   3.693   7.250
  143    H    LEU  22           H        LEU  22  39.117   4.072   2.308
  144    HA   LEU  22           HA       LEU  22  39.104   2.530  -0.192
  145   1HB   LEU  22          2HB       LEU  22  40.848   4.138  -0.966
  146   2HB   LEU  22          1HB       LEU  22  39.488   4.969  -0.254
  147    HG   LEU  22           HG       LEU  22  40.834   5.154   1.882
  148   1HD1  LEU  22          1HD1      LEU  22  43.128   4.467  -0.020
  149   2HD1  LEU  22          3HD1      LEU  22  43.338   5.139   1.589
  150   3HD1  LEU  22          2HD1      LEU  22  42.709   3.534   1.398
  151   1HD2  LEU  22          2HD2      LEU  22  40.474   7.040   0.262
  152   2HD2  LEU  22          1HD2      LEU  22  42.087   7.156   0.942
  153   3HD2  LEU  22          3HD2      LEU  22  41.852   6.507  -0.674
  154    H    TRP  23           H        TRP  23  40.853   1.239  -1.039
  155    HA   TRP  23           HA       TRP  23  42.782   0.478   1.041
  156   1HB   TRP  23          2HB       TRP  23  40.805  -1.290  -0.299
  157   2HB   TRP  23          1HB       TRP  23  42.389  -1.973  -0.083
  158    HD1  TRP  23           HD1      TRP  23  39.387  -1.129   2.064
  159    HE1  TRP  23           HE1      TRP  23  39.970  -1.431   4.480
  160    HE3  TRP  23           HE3      TRP  23  44.260  -1.526   1.440
  161    HZ2  TRP  23           HZ2      TRP  23  42.347  -1.710   5.992
  162    HZ3  TRP  23           HZ3      TRP  23  45.796  -1.732   3.340
  163    HH2  TRP  23           HH2      TRP  23  44.824  -1.858   5.678
  164    H    PHE  24           H        PHE  24  44.543   0.192   0.740
  165    HA   PHE  24           HA       PHE  24  45.809   0.448  -1.867
  166   1HB   PHE  24          2HB       PHE  24  46.441   0.898   1.028
  167   2HB   PHE  24          1HB       PHE  24  47.824   0.364   0.157
  168    HD1  PHE  24           HD1      PHE  24  44.908   2.739  -0.233
  169    HD2  PHE  24           HD2      PHE  24  49.088   2.161  -0.835
  170    HE1  PHE  24           HE1      PHE  24  45.106   5.035  -1.064
  171    HE2  PHE  24           HE2      PHE  24  49.283   4.466  -1.662
  172    HZ   PHE  24           HZ       PHE  24  47.289   5.905  -1.778
  173    H    TYR  25           H        TYR  25  44.657  -1.881  -1.943
  174    HA   TYR  25           HA       TYR  25  46.884  -3.788  -1.523
  175   1HB   TYR  25          2HB       TYR  25  44.074  -4.038  -0.698
  176   2HB   TYR  25          1HB       TYR  25  44.648  -5.444  -1.548
  177    HD1  TYR  25           HD2      TYR  25  45.658  -3.098   1.221
  178    HD2  TYR  25           HD1      TYR  25  46.036  -6.955  -0.512
  179    HE1  TYR  25           HE2      TYR  25  46.958  -3.832   3.168
  180    HE2  TYR  25           HE1      TYR  25  47.341  -7.695   1.444
  181    HH   TYR  25           HH       TYR  25  48.668  -5.604   3.686
  182    HA   PRO  26           HA       PRO  26  46.514  -4.117  -5.911
  183   1HB   PRO  26          2HB       PRO  26  48.466  -5.981  -6.391
  184   2HB   PRO  26          1HB       PRO  26  48.884  -4.338  -5.875
  185   1HG   PRO  26          2HG       PRO  26  48.413  -6.796  -4.075
  186   2HG   PRO  26          1HG       PRO  26  49.863  -5.790  -4.143
  187   1HD   PRO  26          2HD       PRO  26  48.001  -5.191  -2.285
  188   2HD   PRO  26          1HD       PRO  26  48.651  -3.825  -3.213
  189    H    SER  27           H        SER  27  45.931  -6.595  -3.660
  190    HA   SER  27           HA       SER  27  44.799  -8.432  -5.674
  191   1HB   SER  27          2HB       SER  27  44.482  -9.814  -3.469
  192   2HB   SER  27          1HB       SER  27  46.151  -9.528  -3.997
  193    HG   SER  27           HG       SER  27  44.948  -8.684  -1.777
  194    H    GLY  28           H        GLY  28  43.721  -5.724  -4.499
  195   1HA   GLY  28          2HA       GLY  28  41.426  -5.006  -4.754
  196   2HA   GLY  28          1HA       GLY  28  40.884  -6.635  -4.331
  197    H    CYS  29           H        CYS  29  40.051  -6.681  -2.227
  198    HA   CYS  29           HA       CYS  29  40.876  -4.633  -0.326
  199   1HB   CYS  29          2HB       CYS  29  38.954  -6.920   0.133
  200   2HB   CYS  29          1HB       CYS  29  39.081  -5.370   0.899
  201    HA   PRO  30           HA       PRO  30  43.518  -7.579   1.746
  202   1HB   PRO  30          2HB       PRO  30  43.992  -6.422   4.123
  203   2HB   PRO  30          1HB       PRO  30  44.529  -5.651   2.621
  204   1HG   PRO  30          2HG       PRO  30  41.910  -5.246   4.063
  205   2HG   PRO  30          1HG       PRO  30  43.088  -4.004   3.746
  206   1HD   PRO  30          2HD       PRO  30  41.015  -4.370   2.042
  207   2HD   PRO  30          1HD       PRO  30  42.620  -4.070   1.348
  208    H    SER  31           H        SER  31  43.662  -8.896   3.670
  209    HA   SER  31           HA       SER  31  41.425 -10.523   4.020
  210   1HB   SER  31          2HB       SER  31  43.868 -11.120   4.607
  211   2HB   SER  31          1HB       SER  31  43.613 -10.234   6.125
  212    HG   SER  31           HG       SER  31  42.806 -12.691   5.546
  213    H    GLY  32           H        GLY  32  39.649 -10.017   4.844
  214   1HA   GLY  32          2HA       GLY  32  38.330  -9.697   6.972
  215   2HA   GLY  32          1HA       GLY  32  39.456  -8.410   7.386
  216    H    TRP  33           H        TRP  33  39.066  -7.941   4.234
  217    HA   TRP  33           HA       TRP  33  36.758  -6.107   4.635
  218   1HB   TRP  33          2HB       TRP  33  39.137  -6.000   2.753
  219   2HB   TRP  33          1HB       TRP  33  37.862  -4.806   2.769
  220    HD1  TRP  33           HD1      TRP  33  40.521  -6.253   5.257
  221    HE1  TRP  33           HE1      TRP  33  41.111  -4.477   6.924
  222    HE3  TRP  33           HE3      TRP  33  37.345  -2.745   3.646
  223    HZ2  TRP  33           HZ2      TRP  33  40.339  -1.870   7.474
  224    HZ3  TRP  33           HZ3      TRP  33  37.274  -0.571   4.752
  225    HH2  TRP  33           HH2      TRP  33  38.808  -0.114   6.702
  226    H    HIS  34           H        HIS  34  35.507  -5.797   2.559
  227    HA   HIS  34           HA       HIS  34  35.658  -8.189   0.779
  228   1HB   HIS  34          2HB       HIS  34  34.342  -8.720   2.833
  229   2HB   HIS  34          1HB       HIS  34  33.227  -7.440   2.421
  230    HD1  HIS  34           HD1      HIS  34  34.281 -10.843   1.363
  231    HD2  HIS  34           HD2      HIS  34  31.379  -8.021   0.434
  232    HE1  HIS  34           HE1      HIS  34  32.554 -11.902  -0.104
  233    H    ASN  35           H        ASN  35  36.019  -5.395   0.388
  234    HA   ASN  35           HA       ASN  35  35.757  -3.789  -1.227
  235   1HB   ASN  35          2HB       ASN  35  35.771  -5.692  -2.832
  236   2HB   ASN  35          1HB       ASN  35  34.023  -5.814  -2.656
  237   1HD2  ASN  35          2HD2      ASN  35  35.625  -2.542  -4.589
  238   2HD2  ASN  35          1HD2      ASN  35  36.586  -3.423  -3.505
  239    H    CYS  36           H        CYS  36  34.478  -2.176  -2.021
  240    HA   CYS  36           HA       CYS  36  31.660  -2.081  -1.151
  241   1HB   CYS  36          2HB       CYS  36  32.166  -0.285   0.151
  242   2HB   CYS  36          1HB       CYS  36  33.766  -0.907   0.135
  243    H    LYS  37           H        LYS  37  34.227  -0.739  -3.118
  244    HA   LYS  37           HA       LYS  37  32.261  -0.116  -5.272
  245   1HB   LYS  37          2HB       LYS  37  33.367   1.855  -4.149
  246   2HB   LYS  37          1HB       LYS  37  34.914   1.247  -4.669
  247   1HG   LYS  37          2HG       LYS  37  34.306   1.522  -7.029
  248   2HG   LYS  37          1HG       LYS  37  32.639   1.878  -6.605
  249   1HD   LYS  37          2HD       LYS  37  33.450   3.926  -5.358
  250   2HD   LYS  37          1HD       LYS  37  35.075   3.578  -5.917
  251   1HE   LYS  37          2HE       LYS  37  34.421   3.887  -8.247
  252   2HE   LYS  37          1HE       LYS  37  32.722   4.020  -7.807
  253   1HZ   LYS  37          1HZ       LYS  37  34.178   5.856  -6.297
  254   2HZ   LYS  37          3HZ       LYS  37  34.615   6.068  -7.936
  255   3HZ   LYS  37          2HZ       LYS  37  32.983   6.157  -7.461
  256    H    ALA  38           H        ALA  38  32.377  -1.832  -6.498
  257    HA   ALA  38           HA       ALA  38  34.883  -3.224  -7.137
  258   1HB   ALA  38          1HB       ALA  38  32.063  -3.549  -8.282
  259   2HB   ALA  38          3HB       ALA  38  33.398  -4.653  -8.557
  260   3HB   ALA  38          2HB       ALA  38  32.716  -4.489  -6.942
  261    H    HIS  39           H        HIS  39  34.408  -0.374  -7.780
  262    HA   HIS  39           HA       HIS  39  35.078  -0.451 -10.682
  263   1HB   HIS  39          2HB       HIS  39  33.422   1.746  -9.343
  264   2HB   HIS  39          1HB       HIS  39  33.624   1.495 -11.071
  265    HD1  HIS  39           HD1      HIS  39  33.081  -1.640 -10.762
  266    HD2  HIS  39           HD2      HIS  39  30.744   1.476  -9.304
  267    HE1  HIS  39           HE1      HIS  39  30.781  -2.453 -10.418
  268    H    GLY  40           H        GLY  40  36.339  -0.085  -7.782
  269   1HA   GLY  40          2HA       GLY  40  38.702   0.830  -7.883
  270   2HA   GLY  40          1HA       GLY  40  37.980   2.298  -8.523
  271    HA   PRO  41           HA       PRO  41  38.239   4.266  -7.868
  272   1HB   PRO  41          2HB       PRO  41  39.705   6.021  -6.357
  273   2HB   PRO  41          1HB       PRO  41  37.936   6.007  -6.290
  274   1HG   PRO  41          2HG       PRO  41  39.893   4.521  -4.461
  275   2HG   PRO  41          1HG       PRO  41  38.577   5.574  -3.970
  276   1HD   PRO  41          2HD       PRO  41  38.113   2.991  -3.994
  277   2HD   PRO  41          1HD       PRO  41  36.866   4.081  -4.619
  278    H    ASN  42           H        ASN  42  40.822   5.239  -8.218
  279    HA   ASN  42           HA       ASN  42  42.349   2.755  -8.452
  280   1HB   ASN  42          2HB       ASN  42  42.812   5.567  -9.623
  281   2HB   ASN  42          1HB       ASN  42  43.810   4.163  -9.953
  282   1HD2  ASN  42          2HD2      ASN  42  41.711   3.914 -12.825
  283   2HD2  ASN  42          1HD2      ASN  42  43.242   4.438 -12.295
  284    H    ILE  43           H        ILE  43  41.796   5.280  -6.460
  285    HA   ILE  43           HA       ILE  43  44.533   5.339  -5.707
  286    HB   ILE  43           HB       ILE  43  42.263   7.021  -4.474
  287   1HG1  ILE  43          2HG1      ILE  43  44.279   7.681  -6.724
  288   2HG1  ILE  43          1HG1      ILE  43  42.587   7.345  -7.003
  289   1HG2  ILE  43          2HG2      ILE  43  44.423   6.914  -3.118
  290   2HG2  ILE  43          1HG2      ILE  43  45.311   7.483  -4.514
  291   3HG2  ILE  43          3HG2      ILE  43  44.132   8.519  -3.731
  292   1HD1  ILE  43          1HD1      ILE  43  41.937   9.334  -5.673
  293   2HD1  ILE  43          3HD1      ILE  43  43.630   9.705  -5.387
  294   3HD1  ILE  43          2HD1      ILE  43  42.986   9.767  -7.012
  295    H    GLY  44           H        GLY  44  43.093   3.123  -5.428
  296   1HA   GLY  44          2HA       GLY  44  43.518   1.362  -3.786
  297   2HA   GLY  44          1HA       GLY  44  43.003   2.451  -2.500
  298    H    TRP  45           H        TRP  45  41.988  -0.140  -3.677
  299    HA   TRP  45           HA       TRP  45  39.385   0.360  -4.884
  300   1HB   TRP  45          2HB       TRP  45  39.833  -2.023  -3.055
  301   2HB   TRP  45          1HB       TRP  45  38.853  -1.935  -4.505
  302    HD1  TRP  45           HD1      TRP  45  42.560  -2.031  -3.414
  303    HE1  TRP  45           HE1      TRP  45  43.941  -3.055  -5.198
  304    HE3  TRP  45           HE3      TRP  45  38.969  -2.440  -6.958
  305    HZ2  TRP  45           HZ2      TRP  45  43.619  -3.917  -7.805
  306    HZ3  TRP  45           HZ3      TRP  45  39.582  -3.398  -9.158
  307    HH2  TRP  45           HH2      TRP  45  41.906  -4.134  -9.579
  308    H    CYS  46           H        CYS  46  37.317   0.984  -3.729
  309    HA   CYS  46           HA       CYS  46  37.821   1.421  -0.856
  310   1HB   CYS  46          2HB       CYS  46  35.615   2.258  -2.780
  311   2HB   CYS  46          1HB       CYS  46  35.494   2.472  -1.051
  312    H    CYS  47           H        CYS  47  37.346   0.060   0.445
  313    HA   CYS  47           HA       CYS  47  35.363  -2.068  -0.103
  314   1HB   CYS  47          2HB       CYS  47  38.050  -2.132   1.196
  315   2HB   CYS  47          1HB       CYS  47  36.995  -3.455   1.302
  316    H    LYS  48           H        LYS  48  35.351  -3.267   2.327
  317    HA   LYS  48           HA       LYS  48  35.143  -1.205   4.316
  318   1HB   LYS  48          2HB       LYS  48  32.950  -1.361   4.859
  319   2HB   LYS  48          1HB       LYS  48  32.919  -1.205   3.122
  320   1HG   LYS  48          2HG       LYS  48  32.564  -3.712   4.752
  321   2HG   LYS  48          1HG       LYS  48  31.386  -2.802   3.854
  322   1HD   LYS  48          2HD       LYS  48  33.066  -3.084   1.886
  323   2HD   LYS  48          1HD       LYS  48  33.798  -4.301   2.867
  324   1HE   LYS  48          2HE       LYS  48  30.903  -4.425   1.891
  325   2HE   LYS  48          1HE       LYS  48  32.186  -5.545   1.462
  326   1HZ   LYS  48          1HZ       LYS  48  32.020  -5.419   4.243
  327   2HZ   LYS  48          3HZ       LYS  48  30.457  -5.688   3.623
  328   3HZ   LYS  48          2HZ       LYS  48  31.717  -6.744   3.232
  329    H    LYS  49           H        LYS  49  34.402  -2.320   6.310
  330    HA   LYS  49           HA       LYS  49  35.957  -4.879   6.536
  331   1HB   LYS  49          2HB       LYS  49  34.746  -3.007   8.632
  332   2HB   LYS  49          1HB       LYS  49  35.412  -4.570   9.073
  333   1HG   LYS  49          2HG       LYS  49  37.577  -3.870   7.923
  334   2HG   LYS  49          1HG       LYS  49  36.892  -2.262   7.754
  335   1HD   LYS  49          2HD       LYS  49  36.684  -2.032  10.188
  336   2HD   LYS  49          1HD       LYS  49  37.170  -3.701  10.433
  337   1HE   LYS  49          2HE       LYS  49  39.402  -3.162   9.385
  338   2HE   LYS  49          1HE       LYS  49  38.908  -1.476   9.288
  339   1HZ   LYS  49          3HZ       LYS  49  38.446  -2.358  11.893
  340   2HZ   LYS  49          2HZ       LYS  49  40.014  -2.836  11.458
  341   3HZ   LYS  49          1HZ       LYS  49  39.563  -1.202  11.345
   
  No H/Q in entry =         341
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  42.120   4.996   7.070
    2   2H    GLY   1          3H        GLY   1  42.835   3.699   6.227
    3   3H    GLY   1          2H        GLY   1  43.809   4.904   6.942
    4   1HA   GLY   1          2HA       GLY   1  43.733   6.105   5.088
    5   2HA   GLY   1          1HA       GLY   1  42.721   4.851   4.351
    6    H    VAL   2           H        VAL   2  41.627   6.766   3.306
    7    HA   VAL   2           HA       VAL   2  39.979   8.393   5.142
    8    HB   VAL   2           HB       VAL   2  39.912   8.346   2.083
    9   1HG1  VAL   2          2HG1      VAL   2  37.982   9.487   3.137
   10   2HG1  VAL   2          1HG1      VAL   2  39.062  10.528   4.053
   11   3HG1  VAL   2          3HG1      VAL   2  38.995  10.640   2.304
   12   1HG2  VAL   2          2HG2      VAL   2  41.624  10.111   3.908
   13   2HG2  VAL   2          1HG2      VAL   2  42.243   8.864   2.842
   14   3HG2  VAL   2          3HG2      VAL   2  41.499  10.296   2.166
   15    HA   PRO   3           HA       PRO   3  36.643   5.430   4.469
   16   1HB   PRO   3          2HB       PRO   3  34.530   6.806   5.435
   17   2HB   PRO   3          1HB       PRO   3  35.799   6.266   6.542
   18   1HG   PRO   3          2HG       PRO   3  35.677   8.983   5.085
   19   2HG   PRO   3          1HG       PRO   3  35.741   8.732   6.835
   20   1HD   PRO   3          2HD       PRO   3  38.016   9.131   5.563
   21   2HD   PRO   3          1HD       PRO   3  37.982   7.794   6.731
   22    H    CYS   4           H        CYS   4  34.987   5.152   2.794
   23    HA   CYS   4           HA       CYS   4  34.618   7.539   1.066
   24   1HB   CYS   4          2HB       CYS   4  35.198   5.886  -0.925
   25   2HB   CYS   4          1HB       CYS   4  36.453   6.716  -0.040
   26    H    LEU   5           H        LEU   5  33.354   7.021  -0.878
   27    HA   LEU   5           HA       LEU   5  30.861   5.607  -0.088
   28   1HB   LEU   5          2HB       LEU   5  30.894   8.154  -0.656
   29   2HB   LEU   5          1HB       LEU   5  31.303   7.688  -2.296
   30    HG   LEU   5           HG       LEU   5  29.126   6.337  -2.357
   31   1HD1  LEU   5          2HD1      LEU   5  28.651   7.776   0.296
   32   2HD1  LEU   5          1HD1      LEU   5  27.455   6.819  -0.572
   33   3HD1  LEU   5          3HD1      LEU   5  28.853   6.045   0.133
   34   1HD2  LEU   5          1HD2      LEU   5  29.279   8.667  -3.264
   35   2HD2  LEU   5          3HD2      LEU   5  27.687   8.367  -2.588
   36   3HD2  LEU   5          2HD2      LEU   5  28.867   9.301  -1.685
   37    H    CYS   6           H        CYS   6  29.967   4.188  -1.681
   38    HA   CYS   6           HA       CYS   6  31.839   3.473  -3.881
   39   1HB   CYS   6          2HB       CYS   6  30.443   1.379  -2.215
   40   2HB   CYS   6          1HB       CYS   6  31.896   1.239  -3.152
   41    H    ASP   7           H        ASP   7  30.761   1.213  -4.658
   42    HA   ASP   7           HA       ASP   7  29.311   1.590  -6.852
   43   1HB   ASP   7          2HB       ASP   7  28.563  -0.672  -6.701
   44   2HB   ASP   7          1HB       ASP   7  29.974  -0.622  -5.672
   45    H    SER   8           H        SER   8  27.753   1.514  -3.697
   46    HA   SER   8           HA       SER   8  25.112   2.249  -4.820
   47   1HB   SER   8          2HB       SER   8  25.281   0.743  -2.746
   48   2HB   SER   8          1HB       SER   8  25.961   2.121  -1.858
   49    HG   SER   8           HG       SER   8  24.139   3.308  -2.348
   50    H    ASP   9           H        ASP   9  26.925   3.965  -5.600
   51    HA   ASP   9           HA       ASP   9  26.761   6.441  -3.951
   52   1HB   ASP   9          2HB       ASP   9  29.024   6.257  -4.472
   53   2HB   ASP   9          1HB       ASP   9  28.793   5.280  -5.883
   54    H    GLY  10           H        GLY  10  26.891   5.798  -7.416
   55   1HA   GLY  10          2HA       GLY  10  25.445   6.474  -9.149
   56   2HA   GLY  10          1HA       GLY  10  24.227   6.855  -7.917
   57    HA   PRO  11           HA       PRO  11  26.360  10.768  -9.484
   58   1HB   PRO  11          2HB       PRO  11  24.612  11.790 -11.273
   59   2HB   PRO  11          1HB       PRO  11  25.641  10.427 -11.766
   60   1HG   PRO  11          2HG       PRO  11  22.825  10.262 -10.514
   61   2HG   PRO  11          1HG       PRO  11  23.310   9.640 -12.094
   62   1HD   PRO  11          2HD       PRO  11  23.398   7.975  -9.977
   63   2HD   PRO  11          1HD       PRO  11  24.768   7.964 -11.107
   64    H    ARG  12           H        ARG  12  24.311   9.943  -7.399
   65    HA   ARG  12           HA       ARG  12  23.367  12.685  -6.703
   66   1HB   ARG  12          2HB       ARG  12  21.617  11.150  -7.627
   67   2HB   ARG  12          1HB       ARG  12  21.880  10.106  -6.245
   68   1HG   ARG  12          2HG       ARG  12  21.192  11.964  -4.709
   69   2HG   ARG  12          1HG       ARG  12  20.997  13.027  -6.102
   70   1HD   ARG  12          2HD       ARG  12  19.376  11.475  -7.072
   71   2HD   ARG  12          1HD       ARG  12  19.582  10.385  -5.695
   72    HE   ARG  12           HE       ARG  12  18.477  13.169  -5.426
   73   1HH1  ARG  12          1HH2      ARG  12  18.821  12.351  -2.842
   74   2HH1  ARG  12          2HH2      ARG  12  17.479  11.350  -2.423
   75   1HH2  ARG  12          1HH1      ARG  12  16.195  10.431  -4.159
   76   2HH2  ARG  12          2HH1      ARG  12  16.636  10.788  -5.788
   77    HA   PRO  13           HA       PRO  13  25.813  10.470  -3.318
   78   1HB   PRO  13          2HB       PRO  13  28.133  11.850  -3.269
   79   2HB   PRO  13          1HB       PRO  13  27.796  10.672  -4.554
   80   1HG   PRO  13          2HG       PRO  13  27.208  13.697  -4.626
   81   2HG   PRO  13          1HG       PRO  13  28.260  12.802  -5.730
   82   1HD   PRO  13          2HD       PRO  13  25.660  13.179  -6.396
   83   2HD   PRO  13          1HD       PRO  13  26.390  11.600  -6.711
   84    H    ARG  14           H        ARG  14  23.814  11.634  -2.605
   85    HA   ARG  14           HA       ARG  14  23.937  14.252  -1.406
   86   1HB   ARG  14          2HB       ARG  14  21.785  13.726  -0.396
   87   2HB   ARG  14          1HB       ARG  14  21.791  13.110  -2.036
   88   1HG   ARG  14          2HG       ARG  14  22.269  10.806  -1.182
   89   2HG   ARG  14          1HG       ARG  14  22.297  11.417   0.466
   90   1HD   ARG  14          2HD       ARG  14  19.935  12.213   0.199
   91   2HD   ARG  14          1HD       ARG  14  19.891  11.459  -1.392
   92    HE   ARG  14           HE       ARG  14  20.489   9.290  -0.114
   93   1HH1  ARG  14          2HH1      ARG  14  20.282  11.145   2.384
   94   2HH1  ARG  14          1HH1      ARG  14  18.793  10.593   3.069
   95   1HH2  ARG  14          1HH2      ARG  14  17.918   8.874   0.128
   96   2HH2  ARG  14          2HH2      ARG  14  17.381   9.265   1.727
   97    H    GLY  15           H        GLY  15  24.165  14.874   0.699
   98   1HA   GLY  15          2HA       GLY  15  25.077  14.886   2.840
   99   2HA   GLY  15          1HA       GLY  15  24.404  13.280   2.996
  100    H    ASN  16           H        ASN  16  26.496  12.674   0.649
  101    HA   ASN  16           HA       ASN  16  28.580  11.575   0.625
  102   1HB   ASN  16          2HB       ASN  16  29.336  13.977   0.882
  103   2HB   ASN  16          1HB       ASN  16  29.289  13.778   2.627
  104   1HD2  ASN  16          2HD2      ASN  16  32.571  12.485   2.596
  105   2HD2  ASN  16          1HD2      ASN  16  31.383  13.346   3.459
  106    H    THR  17           H        THR  17  27.560   9.696   1.711
  107    HA   THR  17           HA       THR  17  28.043   9.495   4.630
  108    HB   THR  17           HB       THR  17  25.874   8.543   3.694
  109    HG1  THR  17           HG1      THR  17  26.116   7.134   5.288
  110   1HG2  THR  17          2HG2      THR  17  27.685   6.354   2.527
  111   2HG2  THR  17          1HG2      THR  17  25.932   6.364   2.528
  112   3HG2  THR  17          3HG2      THR  17  26.807   7.517   1.543
  113    H    LEU  18           H        LEU  18  28.845   7.319   5.329
  114    HA   LEU  18           HA       LEU  18  31.301   6.517   3.811
  115   1HB   LEU  18          2HB       LEU  18  31.131   6.880   6.812
  116   2HB   LEU  18          1HB       LEU  18  32.561   6.499   5.892
  117    HG   LEU  18           HG       LEU  18  30.970   9.117   5.677
  118   1HD1  LEU  18          3HD1      LEU  18  33.628   8.493   7.028
  119   2HD1  LEU  18          2HD1      LEU  18  32.932  10.097   6.871
  120   3HD1  LEU  18          1HD1      LEU  18  32.127   8.877   7.838
  121   1HD2  LEU  18          2HD2      LEU  18  32.203   8.576   3.550
  122   2HD2  LEU  18          1HD2      LEU  18  32.861   9.976   4.355
  123   3HD2  LEU  18          3HD2      LEU  18  33.693   8.437   4.443
  124    H    SER  19           H        SER  19  30.732   4.487   3.207
  125    HA   SER  19           HA       SER  19  29.683   2.638   5.344
  126   1HB   SER  19          2HB       SER  19  29.310   2.380   2.320
  127   2HB   SER  19          1HB       SER  19  28.599   1.352   3.570
  128    HG   SER  19           HG       SER  19  28.202   3.978   4.148
  129    H    GLY  20           H        GLY  20  32.489   3.334   3.751
  130   1HA   GLY  20          2HA       GLY  20  33.679   0.807   4.514
  131   2HA   GLY  20          1HA       GLY  20  33.577   1.025   2.758
  132    H    ILE  21           H        ILE  21  36.041   0.852   3.493
  133    HA   ILE  21           HA       ILE  21  37.047   3.687   3.604
  134    HB   ILE  21           HB       ILE  21  38.511   1.256   4.706
  135   1HG1  ILE  21          2HG1      ILE  21  36.516   1.597   6.153
  136   2HG1  ILE  21          1HG1      ILE  21  37.978   2.004   7.015
  137   1HG2  ILE  21          2HG2      ILE  21  39.092   4.215   5.004
  138   2HG2  ILE  21          1HG2      ILE  21  39.967   2.935   5.823
  139   3HG2  ILE  21          3HG2      ILE  21  40.015   3.045   4.080
  140   1HD1  ILE  21          1HD1      ILE  21  37.556   4.431   6.560
  141   2HD1  ILE  21          3HD1      ILE  21  36.058   3.976   5.746
  142   3HD1  ILE  21          2HD1      ILE  21  36.245   3.679   7.457
  143    H    LEU  22           H        LEU  22  38.852   4.141   2.311
  144    HA   LEU  22           HA       LEU  22  38.948   2.536  -0.093
  145   1HB   LEU  22          2HB       LEU  22  40.579   4.191  -0.923
  146   2HB   LEU  22          1HB       LEU  22  39.222   4.974  -0.170
  147    HG   LEU  22           HG       LEU  22  40.674   5.166   1.947
  148   1HD1  LEU  22          3HD1      LEU  22  42.863   4.680  -0.127
  149   2HD1  LEU  22          2HD1      LEU  22  43.145   5.296   1.488
  150   3HD1  LEU  22          1HD1      LEU  22  42.590   3.665   1.265
  151   1HD2  LEU  22          2HD2      LEU  22  40.059   7.047   0.393
  152   2HD2  LEU  22          1HD2      LEU  22  41.693   7.281   0.992
  153   3HD2  LEU  22          3HD2      LEU  22  41.427   6.654  -0.625
  154    H    TRP  23           H        TRP  23  40.675   1.237  -0.941
  155    HA   TRP  23           HA       TRP  23  42.699   0.585   1.065
  156   1HB   TRP  23          2HB       TRP  23  40.747  -1.297  -0.186
  157   2HB   TRP  23          1HB       TRP  23  42.361  -1.899   0.044
  158    HD1  TRP  23           HD1      TRP  23  39.343  -1.055   2.230
  159    HE1  TRP  23           HE1      TRP  23  40.007  -1.205   4.648
  160    HE3  TRP  23           HE3      TRP  23  44.224  -1.415   1.525
  161    HZ2  TRP  23           HZ2      TRP  23  42.344  -1.358   6.101
  162    HZ3  TRP  23           HZ3      TRP  23  45.786  -1.499   3.422
  163    HH2  TRP  23           HH2      TRP  23  44.834  -1.495   5.776
  164    H    PHE  24           H        PHE  24  44.415   0.290   0.768
  165    HA   PHE  24           HA       PHE  24  45.690   0.533  -1.818
  166   1HB   PHE  24          2HB       PHE  24  46.334   0.890   1.110
  167   2HB   PHE  24          1HB       PHE  24  47.719   0.552   0.159
  168    HD1  PHE  24           HD1      PHE  24  44.651   2.652  -0.635
  169    HD2  PHE  24           HD2      PHE  24  48.852   2.631   0.107
  170    HE1  PHE  24           HE1      PHE  24  44.761   5.044  -1.136
  171    HE2  PHE  24           HE2      PHE  24  48.945   5.031  -0.389
  172    HZ   PHE  24           HZ       PHE  24  46.892   6.241  -1.014
  173    H    TYR  25           H        TYR  25  44.619  -1.908  -1.801
  174    HA   TYR  25           HA       TYR  25  46.948  -3.645  -1.319
  175   1HB   TYR  25          2HB       TYR  25  44.123  -4.040  -0.613
  176   2HB   TYR  25          1HB       TYR  25  44.798  -5.416  -1.431
  177    HD1  TYR  25           HD2      TYR  25  45.741  -2.972   1.316
  178    HD2  TYR  25           HD1      TYR  25  45.999  -6.921  -0.237
  179    HE1  TYR  25           HE2      TYR  25  46.955  -3.690   3.332
  180    HE2  TYR  25           HE1      TYR  25  47.203  -7.634   1.773
  181    HH   TYR  25           HH       TYR  25  47.701  -7.033   3.960
  182    HA   PRO  26           HA       PRO  26  46.859  -4.260  -5.674
  183   1HB   PRO  26          2HB       PRO  26  48.873  -6.084  -5.893
  184   2HB   PRO  26          1HB       PRO  26  49.234  -4.440  -5.337
  185   1HG   PRO  26          2HG       PRO  26  48.592  -6.885  -3.597
  186   2HG   PRO  26          1HG       PRO  26  50.023  -5.857  -3.519
  187   1HD   PRO  26          2HD       PRO  26  47.922  -5.273  -1.882
  188   2HD   PRO  26          1HD       PRO  26  48.724  -3.914  -2.691
  189    H    SER  27           H        SER  27  46.220  -6.693  -3.326
  190    HA   SER  27           HA       SER  27  45.173  -8.587  -5.334
  191   1HB   SER  27          2HB       SER  27  44.802  -9.925  -3.107
  192   2HB   SER  27          1HB       SER  27  46.482  -9.629  -3.579
  193    HG   SER  27           HG       SER  27  45.207  -8.771  -1.425
  194    H    GLY  28           H        GLY  28  43.993  -5.882  -4.395
  195   1HA   GLY  28          2HA       GLY  28  41.686  -5.231  -4.731
  196   2HA   GLY  28          1HA       GLY  28  41.175  -6.848  -4.221
  197    H    CYS  29           H        CYS  29  40.202  -6.680  -2.179
  198    HA   CYS  29           HA       CYS  29  41.010  -4.556  -0.372
  199   1HB   CYS  29          2HB       CYS  29  39.059  -6.808   0.140
  200   2HB   CYS  29          1HB       CYS  29  39.190  -5.249   0.877
  201    HA   PRO  30           HA       PRO  30  43.575  -7.319   1.999
  202   1HB   PRO  30          2HB       PRO  30  43.784  -6.070   4.372
  203   2HB   PRO  30          1HB       PRO  30  44.408  -5.300   2.906
  204   1HG   PRO  30          2HG       PRO  30  41.612  -5.060   4.031
  205   2HG   PRO  30          1HG       PRO  30  42.729  -3.742   3.895
  206   1HD   PRO  30          2HD       PRO  30  40.917  -4.225   1.971
  207   2HD   PRO  30          1HD       PRO  30  42.571  -3.891   1.426
  208    H    SER  31           H        SER  31  43.665  -8.561   3.919
  209    HA   SER  31           HA       SER  31  41.621 -10.387   4.185
  210   1HB   SER  31          2HB       SER  31  43.009 -10.933   6.382
  211   2HB   SER  31          1HB       SER  31  43.856 -11.006   4.824
  212    HG   SER  31           HG       SER  31  43.552  -8.717   6.480
  213    H    GLY  32           H        GLY  32  39.667  -9.912   4.800
  214   1HA   GLY  32          2HA       GLY  32  38.200  -9.800   6.844
  215   2HA   GLY  32          1HA       GLY  32  39.216  -8.479   7.406
  216    H    TRP  33           H        TRP  33  39.055  -7.865   4.263
  217    HA   TRP  33           HA       TRP  33  36.662  -6.144   4.573
  218   1HB   TRP  33          2HB       TRP  33  39.103  -5.951   2.765
  219   2HB   TRP  33          1HB       TRP  33  37.802  -4.781   2.748
  220    HD1  TRP  33           HD1      TRP  33  40.346  -6.224   5.366
  221    HE1  TRP  33           HE1      TRP  33  40.864  -4.442   7.049
  222    HE3  TRP  33           HE3      TRP  33  37.291  -2.693   3.569
  223    HZ2  TRP  33           HZ2      TRP  33  40.103  -1.843   7.544
  224    HZ3  TRP  33           HZ3      TRP  33  37.199  -0.501   4.660
  225    HH2  TRP  33           HH2      TRP  33  38.640  -0.068   6.681
  226    H    HIS  34           H        HIS  34  35.481  -5.851   2.406
  227    HA   HIS  34           HA       HIS  34  35.792  -8.256   0.669
  228   1HB   HIS  34          2HB       HIS  34  34.442  -8.747   2.732
  229   2HB   HIS  34          1HB       HIS  34  33.247  -7.597   2.160
  230    HD1  HIS  34           HD1      HIS  34  32.438  -8.300  -0.417
  231    HD2  HIS  34           HD2      HIS  34  33.963 -11.226   2.094
  232    HE1  HIS  34           HE1      HIS  34  31.657 -10.569  -1.233
  233    H    ASN  35           H        ASN  35  36.168  -5.498   0.234
  234    HA   ASN  35           HA       ASN  35  35.890  -3.876  -1.354
  235   1HB   ASN  35          2HB       ASN  35  36.075  -5.861  -2.901
  236   2HB   ASN  35          1HB       ASN  35  34.319  -6.005  -2.852
  237   1HD2  ASN  35          2HD2      ASN  35  35.966  -2.981  -4.993
  238   2HD2  ASN  35          1HD2      ASN  35  36.969  -3.878  -3.947
  239    H    CYS  36           H        CYS  36  34.666  -2.214  -1.964
  240    HA   CYS  36           HA       CYS  36  31.786  -2.297  -1.235
  241   1HB   CYS  36          2HB       CYS  36  32.102  -0.279  -0.168
  242   2HB   CYS  36          1HB       CYS  36  33.618  -1.043   0.193
  243    H    LYS  37           H        LYS  37  34.303  -0.928  -3.257
  244    HA   LYS  37           HA       LYS  37  32.183  -0.301  -5.308
  245   1HB   LYS  37          2HB       LYS  37  33.537   1.682  -4.264
  246   2HB   LYS  37          1HB       LYS  37  34.920   1.033  -5.095
  247   1HG   LYS  37          2HG       LYS  37  33.597   1.164  -7.267
  248   2HG   LYS  37          1HG       LYS  37  32.271   1.872  -6.366
  249   1HD   LYS  37          2HD       LYS  37  33.850   3.754  -5.682
  250   2HD   LYS  37          1HD       LYS  37  35.043   3.068  -6.768
  251   1HE   LYS  37          2HE       LYS  37  33.313   3.247  -8.650
  252   2HE   LYS  37          1HE       LYS  37  32.300   4.142  -7.528
  253   1HZ   LYS  37          2HZ       LYS  37  34.874   5.221  -7.462
  254   2HZ   LYS  37          1HZ       LYS  37  34.404   5.070  -9.087
  255   3HZ   LYS  37          3HZ       LYS  37  33.433   5.958  -8.005
  256    H    ALA  38           H        ALA  38  32.291  -1.794  -6.797
  257    HA   ALA  38           HA       ALA  38  34.716  -3.415  -7.290
  258   1HB   ALA  38          1HB       ALA  38  32.467  -4.532  -7.170
  259   2HB   ALA  38          3HB       ALA  38  31.937  -3.575  -8.548
  260   3HB   ALA  38          2HB       ALA  38  33.216  -4.754  -8.750
  261    H    HIS  39           H        HIS  39  33.840  -0.507  -8.076
  262    HA   HIS  39           HA       HIS  39  35.055  -0.660 -10.808
  263   1HB   HIS  39          2HB       HIS  39  32.729   1.217 -10.144
  264   2HB   HIS  39          1HB       HIS  39  33.330   0.767 -11.733
  265    HD1  HIS  39           HD1      HIS  39  33.248  -2.163 -11.720
  266    HD2  HIS  39           HD2      HIS  39  30.484   0.102  -9.582
  267    HE1  HIS  39           HE1      HIS  39  31.248  -3.519 -11.300
  268    H    GLY  40           H        GLY  40  36.569  -0.174  -8.663
  269   1HA   GLY  40          2HA       GLY  40  38.402   1.498  -8.741
  270   2HA   GLY  40          1HA       GLY  40  37.168   2.736  -8.943
  271    HA   PRO  41           HA       PRO  41  38.206   4.338  -8.208
  272   1HB   PRO  41          2HB       PRO  41  39.634   5.993  -6.687
  273   2HB   PRO  41          1HB       PRO  41  37.889   5.895  -6.436
  274   1HG   PRO  41          2HG       PRO  41  40.021   4.239  -4.959
  275   2HG   PRO  41          1HG       PRO  41  38.830   5.307  -4.218
  276   1HD   PRO  41          2HD       PRO  41  38.236   2.722  -4.437
  277   2HD   PRO  41          1HD       PRO  41  36.983   3.912  -4.819
  278    H    ASN  42           H        ASN  42  40.747   5.288  -8.468
  279    HA   ASN  42           HA       ASN  42  42.295   2.839  -8.845
  280   1HB   ASN  42          2HB       ASN  42  42.750   5.735  -9.829
  281   2HB   ASN  42          1HB       ASN  42  43.755   4.371 -10.268
  282   1HD2  ASN  42          2HD2      ASN  42  41.618   3.600 -12.974
  283   2HD2  ASN  42          1HD2      ASN  42  43.189   3.497 -12.326
  284    H    ILE  43           H        ILE  43  41.711   5.279  -6.729
  285    HA   ILE  43           HA       ILE  43  44.422   5.295  -5.936
  286    HB   ILE  43           HB       ILE  43  43.814   7.103  -4.294
  287   1HG1  ILE  43          2HG1      ILE  43  40.926   6.847  -5.245
  288   2HG1  ILE  43          1HG1      ILE  43  41.489   6.159  -3.733
  289   1HG2  ILE  43          1HG2      ILE  43  44.270   7.717  -6.652
  290   2HG2  ILE  43          3HG2      ILE  43  42.586   7.472  -7.075
  291   3HG2  ILE  43          2HG2      ILE  43  43.044   8.784  -6.006
  292   1HD1  ILE  43          2HD1      ILE  43  42.218   8.439  -2.986
  293   2HD1  ILE  43          1HD1      ILE  43  41.614   9.119  -4.488
  294   3HD1  ILE  43          3HD1      ILE  43  40.504   8.395  -3.345
  295    H    GLY  44           H        GLY  44  42.905   3.081  -5.674
  296   1HA   GLY  44          2HA       GLY  44  43.503   1.271  -4.053
  297   2HA   GLY  44          1HA       GLY  44  43.059   2.358  -2.747
  298    H    TRP  45           H        TRP  45  42.050  -0.232  -3.992
  299    HA   TRP  45           HA       TRP  45  39.367   0.073  -4.976
  300   1HB   TRP  45          2HB       TRP  45  40.008  -2.133  -2.982
  301   2HB   TRP  45          1HB       TRP  45  38.930  -2.194  -4.364
  302    HD1  TRP  45           HD1      TRP  45  42.674  -2.167  -3.482
  303    HE1  TRP  45           HE1      TRP  45  43.992  -3.202  -5.308
  304    HE3  TRP  45           HE3      TRP  45  38.920  -2.694  -6.838
  305    HZ2  TRP  45           HZ2      TRP  45  43.551  -4.114  -7.893
  306    HZ3  TRP  45           HZ3      TRP  45  39.447  -3.671  -9.051
  307    HH2  TRP  45           HH2      TRP  45  41.749  -4.373  -9.568
  308    H    CYS  46           H        CYS  46  37.335   0.813  -3.782
  309    HA   CYS  46           HA       CYS  46  37.913   1.366  -0.937
  310   1HB   CYS  46          2HB       CYS  46  36.747   3.126  -2.404
  311   2HB   CYS  46          1HB       CYS  46  35.459   1.974  -2.649
  312    H    CYS  47           H        CYS  47  37.278   0.161   0.477
  313    HA   CYS  47           HA       CYS  47  35.438  -2.070  -0.135
  314   1HB   CYS  47          2HB       CYS  47  38.063  -2.068   1.247
  315   2HB   CYS  47          1HB       CYS  47  37.042  -3.427   1.259
  316    H    LYS  48           H        LYS  48  35.285  -3.310   2.173
  317    HA   LYS  48           HA       LYS  48  34.992  -1.340   4.260
  318   1HB   LYS  48          2HB       LYS  48  32.774  -1.519   4.676
  319   2HB   LYS  48          1HB       LYS  48  32.861  -1.256   2.955
  320   1HG   LYS  48          2HG       LYS  48  32.341  -3.858   4.384
  321   2HG   LYS  48          1HG       LYS  48  31.267  -2.870   3.437
  322   1HD   LYS  48          2HD       LYS  48  33.099  -3.099   1.611
  323   2HD   LYS  48          1HD       LYS  48  33.738  -4.364   2.595
  324   1HE   LYS  48          2HE       LYS  48  31.009  -4.404   1.192
  325   2HE   LYS  48          1HE       LYS  48  32.297  -5.589   1.035
  326   1HZ   LYS  48          3HZ       LYS  48  31.541  -5.428   3.711
  327   2HZ   LYS  48          2HZ       LYS  48  30.156  -5.650   2.754
  328   3HZ   LYS  48          1HZ       LYS  48  31.444  -6.754   2.648
  329    H    LYS  49           H        LYS  49  34.092  -2.424   6.129
  330    HA   LYS  49           HA       LYS  49  35.593  -4.955   6.608
  331   1HB   LYS  49          2HB       LYS  49  34.175  -3.003   8.466
  332   2HB   LYS  49          1HB       LYS  49  34.819  -4.515   9.058
  333   1HG   LYS  49          2HG       LYS  49  36.725  -2.906   7.400
  334   2HG   LYS  49          1HG       LYS  49  36.261  -2.162   8.910
  335   1HD   LYS  49          2HD       LYS  49  38.302  -3.520   9.207
  336   2HD   LYS  49          1HD       LYS  49  36.996  -4.169  10.169
  337   1HE   LYS  49          2HE       LYS  49  36.588  -5.912   8.415
  338   2HE   LYS  49          1HE       LYS  49  37.936  -5.272   7.484
  339   1HZ   LYS  49          1HZ       LYS  49  38.786  -5.715  10.121
  340   2HZ   LYS  49          3HZ       LYS  49  37.974  -7.100   9.576
  341   3HZ   LYS  49          2HZ       LYS  49  39.292  -6.486   8.695
   
  No H/Q in entry =         341
  Start of MODEL    3
    1   1H    GLY   1          3H        GLY   1  41.488   4.189   3.372
    2   2H    GLY   1          2H        GLY   1  43.166   4.005   3.584
    3   3H    GLY   1          1H        GLY   1  42.096   2.767   4.024
    4   1HA   GLY   1          2HA       GLY   1  41.931   3.591   6.071
    5   2HA   GLY   1          1HA       GLY   1  43.074   4.850   5.618
    6    H    VAL   2           H        VAL   2  41.331   5.955   3.604
    7    HA   VAL   2           HA       VAL   2  39.616   7.596   5.367
    8    HB   VAL   2           HB       VAL   2  40.074   7.846   2.355
    9   1HG1  VAL   2          2HG1      VAL   2  38.185   9.203   3.177
   10   2HG1  VAL   2          1HG1      VAL   2  39.229   9.970   4.370
   11   3HG1  VAL   2          3HG1      VAL   2  39.498  10.228   2.659
   12   1HG2  VAL   2          3HG2      VAL   2  41.697   9.161   4.584
   13   2HG2  VAL   2          2HG2      VAL   2  42.290   7.918   3.498
   14   3HG2  VAL   2          1HG2      VAL   2  41.875   9.495   2.869
   15    HA   PRO   3           HA       PRO   3  35.985   5.554   3.626
   16   1HB   PRO   3          2HB       PRO   3  34.020   7.178   4.301
   17   2HB   PRO   3          1HB       PRO   3  34.912   6.228   5.525
   18   1HG   PRO   3          2HG       PRO   3  35.506   9.099   4.520
   19   2HG   PRO   3          1HG       PRO   3  35.128   8.663   6.187
   20   1HD   PRO   3          2HD       PRO   3  37.679   8.780   5.471
   21   2HD   PRO   3          1HD       PRO   3  37.170   7.389   6.438
   22    H    CYS   4           H        CYS   4  35.047   5.472   1.709
   23    HA   CYS   4           HA       CYS   4  34.777   7.941   0.074
   24   1HB   CYS   4          2HB       CYS   4  35.267   5.952  -1.783
   25   2HB   CYS   4          1HB       CYS   4  36.494   7.030  -1.161
   26    H    LEU   5           H        LEU   5  33.266   7.329  -1.857
   27    HA   LEU   5           HA       LEU   5  30.824   6.118  -0.712
   28   1HB   LEU   5          2HB       LEU   5  31.006   8.419  -2.022
   29   2HB   LEU   5          1HB       LEU   5  31.160   7.439  -3.458
   30    HG   LEU   5           HG       LEU   5  28.749   7.296  -1.576
   31   1HD1  LEU   5          3HD1      LEU   5  29.088   8.843  -4.175
   32   2HD1  LEU   5          2HD1      LEU   5  27.589   8.682  -3.271
   33   3HD1  LEU   5          1HD1      LEU   5  28.946   9.545  -2.573
   34   1HD2  LEU   5          1HD2      LEU   5  29.103   6.294  -4.457
   35   2HD2  LEU   5          3HD2      LEU   5  28.941   5.270  -3.053
   36   3HD2  LEU   5          2HD2      LEU   5  27.610   6.258  -3.536
   37    H    CYS   6           H        CYS   6  29.891   4.301  -1.749
   38    HA   CYS   6           HA       CYS   6  31.606   2.940  -3.719
   39   1HB   CYS   6          2HB       CYS   6  30.209   1.316  -1.612
   40   2HB   CYS   6          1HB       CYS   6  31.590   1.037  -2.601
   41    H    ASP   7           H        ASP   7  30.449   0.728  -4.161
   42    HA   ASP   7           HA       ASP   7  28.128   1.481  -5.827
   43   1HB   ASP   7          2HB       ASP   7  29.885  -0.030  -6.754
   44   2HB   ASP   7          1HB       ASP   7  29.562  -1.202  -5.490
   45    H    SER   8           H        SER   8  28.683  -1.257  -3.622
   46    HA   SER   8           HA       SER   8  25.851  -1.613  -3.164
   47   1HB   SER   8          2HB       SER   8  27.494  -3.455  -2.697
   48   2HB   SER   8          1HB       SER   8  28.169  -2.527  -1.352
   49    HG   SER   8           HG       SER   8  25.660  -2.444  -0.811
   50    H    ASP   9           H        ASP   9  27.915   0.787  -2.178
   51    HA   ASP   9           HA       ASP   9  27.062   1.403   0.477
   52   1HB   ASP   9          2HB       ASP   9  29.092   2.493  -0.554
   53   2HB   ASP   9          1HB       ASP   9  28.086   3.165  -1.792
   54    H    GLY  10           H        GLY  10  25.641   1.767  -2.610
   55   1HA   GLY  10          2HA       GLY  10  23.326   2.181  -3.003
   56   2HA   GLY  10          1HA       GLY  10  23.173   2.858  -1.376
   57    HA   PRO  11           HA       PRO  11  24.596   6.062  -4.690
   58   1HB   PRO  11          2HB       PRO  11  22.767   6.435  -6.583
   59   2HB   PRO  11          1HB       PRO  11  23.682   4.912  -6.612
   60   1HG   PRO  11          2HG       PRO  11  20.973   5.440  -5.219
   61   2HG   PRO  11          1HG       PRO  11  21.295   4.231  -6.466
   62   1HD   PRO  11          2HD       PRO  11  21.483   3.536  -3.844
   63   2HD   PRO  11          1HD       PRO  11  22.685   2.915  -4.990
   64    H    ARG  12           H        ARG  12  23.476   6.358  -2.219
   65    HA   ARG  12           HA       ARG  12  21.382   8.419  -2.409
   66   1HB   ARG  12          2HB       ARG  12  22.400   6.649  -0.302
   67   2HB   ARG  12          1HB       ARG  12  22.123   8.268   0.291
   68   1HG   ARG  12          2HG       ARG  12  20.086   7.000   0.553
   69   2HG   ARG  12          1HG       ARG  12  19.821   8.234  -0.652
   70   1HD   ARG  12          2HD       ARG  12  20.149   6.534  -2.465
   71   2HD   ARG  12          1HD       ARG  12  20.395   5.293  -1.241
   72    HE   ARG  12           HE       ARG  12  17.836   6.607  -1.912
   73   1HH1  ARG  12          2HH1      ARG  12  17.673   6.637   0.916
   74   2HH1  ARG  12          1HH1      ARG  12  17.175   5.044   1.364
   75   1HH2  ARG  12          1HH2      ARG  12  18.109   3.692  -1.737
   76   2HH2  ARG  12          2HH2      ARG  12  17.434   3.319  -0.188
   77    HA   PRO  13           HA       PRO  13  24.319  11.747  -2.403
   78   1HB   PRO  13          2HB       PRO  13  22.683  13.854  -2.454
   79   2HB   PRO  13          1HB       PRO  13  22.646  12.665  -3.774
   80   1HG   PRO  13          2HG       PRO  13  20.915  12.650  -1.213
   81   2HG   PRO  13          1HG       PRO  13  20.315  12.748  -2.869
   82   1HD   PRO  13          2HD       PRO  13  20.536  10.329  -1.716
   83   2HD   PRO  13          1HD       PRO  13  21.065  10.505  -3.403
   84    H    ARG  14           H        ARG  14  24.646  10.699  -0.206
   85    HA   ARG  14           HA       ARG  14  23.938  12.458   2.092
   86   1HB   ARG  14          2HB       ARG  14  25.466   9.820   1.985
   87   2HB   ARG  14          1HB       ARG  14  24.985  10.636   3.458
   88   1HG   ARG  14          2HG       ARG  14  22.968   9.835   1.321
   89   2HG   ARG  14          1HG       ARG  14  23.450   8.723   2.581
   90   1HD   ARG  14          2HD       ARG  14  22.396  11.497   3.253
   91   2HD   ARG  14          1HD       ARG  14  21.325  10.128   2.998
   92    HE   ARG  14           HE       ARG  14  23.517  10.027   5.049
   93   1HH1  ARG  14          2HH1      ARG  14  21.700   7.693   4.406
   94   2HH1  ARG  14          1HH1      ARG  14  20.506   7.820   5.652
   95   1HH2  ARG  14          1HH2      ARG  14  21.415  11.100   6.461
   96   2HH2  ARG  14          2HH2      ARG  14  20.334   9.805   6.838
   97    H    GLY  15           H        GLY  15  25.388  13.775   3.109
   98   1HA   GLY  15          2HA       GLY  15  27.891  14.331   1.684
   99   2HA   GLY  15          1HA       GLY  15  27.297  15.206   3.090
  100    H    ASN  16           H        ASN  16  27.183  11.978   3.748
  101    HA   ASN  16           HA       ASN  16  30.003  11.709   4.654
  102   1HB   ASN  16          2HB       ASN  16  28.809  12.867   6.545
  103   2HB   ASN  16          1HB       ASN  16  27.639  11.551   6.603
  104   1HD2  ASN  16          2HD2      ASN  16  29.784   9.865   8.844
  105   2HD2  ASN  16          1HD2      ASN  16  28.192  10.368   8.506
  106    H    THR  17           H        THR  17  29.677  10.180   2.823
  107    HA   THR  17           HA       THR  17  28.052   7.799   3.342
  108    HB   THR  17           HB       THR  17  29.192   7.250   1.007
  109    HG1  THR  17           HG1      THR  17  30.754   8.647   0.808
  110   1HG2  THR  17          3HG2      THR  17  27.633   9.888   1.275
  111   2HG2  THR  17          2HG2      THR  17  27.729   8.906  -0.173
  112   3HG2  THR  17          1HG2      THR  17  26.834   8.320   1.217
  113    H    LEU  18           H        LEU  18  29.749   7.959   5.310
  114    HA   LEU  18           HA       LEU  18  32.275   6.600   4.839
  115   1HB   LEU  18          2HB       LEU  18  31.508   8.168   6.874
  116   2HB   LEU  18          1HB       LEU  18  30.852   6.686   7.539
  117    HG   LEU  18           HG       LEU  18  33.740   7.228   6.806
  118   1HD1  LEU  18          1HD1      LEU  18  32.491   6.840   9.504
  119   2HD1  LEU  18          3HD1      LEU  18  34.212   6.988   9.176
  120   3HD1  LEU  18          2HD1      LEU  18  33.139   8.326   8.823
  121   1HD2  LEU  18          3HD2      LEU  18  32.532   4.672   7.963
  122   2HD2  LEU  18          2HD2      LEU  18  33.255   4.813   6.370
  123   3HD2  LEU  18          1HD2      LEU  18  34.254   4.973   7.794
  124    H    SER  19           H        SER  19  31.288   4.962   3.499
  125    HA   SER  19           HA       SER  19  30.383   2.599   5.107
  126   1HB   SER  19          2HB       SER  19  28.487   3.926   3.821
  127   2HB   SER  19          1HB       SER  19  29.224   3.162   2.400
  128    HG   SER  19           HG       SER  19  27.524   2.013   3.845
  129    H    GLY  20           H        GLY  20  32.939   3.504   3.715
  130   1HA   GLY  20          2HA       GLY  20  33.719   0.919   2.673
  131   2HA   GLY  20          1HA       GLY  20  33.492   2.084   1.376
  132    H    ILE  21           H        ILE  21  35.922   0.905   3.393
  133    HA   ILE  21           HA       ILE  21  37.155   3.646   3.568
  134    HB   ILE  21           HB       ILE  21  38.282   0.989   4.500
  135   1HG1  ILE  21          2HG1      ILE  21  36.107   1.303   5.669
  136   2HG1  ILE  21          1HG1      ILE  21  37.384   1.596   6.819
  137   1HG2  ILE  21          1HG2      ILE  21  38.942   3.821   5.308
  138   2HG2  ILE  21          3HG2      ILE  21  39.639   2.377   6.027
  139   3HG2  ILE  21          2HG2      ILE  21  39.924   2.741   4.335
  140   1HD1  ILE  21          1HD1      ILE  21  37.122   4.068   6.473
  141   2HD1  ILE  21          3HD1      ILE  21  35.804   3.759   5.357
  142   3HD1  ILE  21          2HD1      ILE  21  35.643   3.318   7.046
  143    H    LEU  22           H        LEU  22  38.835   4.184   2.123
  144    HA   LEU  22           HA       LEU  22  39.035   2.533  -0.212
  145   1HB   LEU  22          2HB       LEU  22  40.861   4.095  -0.927
  146   2HB   LEU  22          1HB       LEU  22  39.436   4.938  -0.400
  147    HG   LEU  22           HG       LEU  22  40.630   5.230   1.881
  148   1HD1  LEU  22          1HD1      LEU  22  43.061   4.600   0.127
  149   2HD1  LEU  22          3HD1      LEU  22  43.139   5.261   1.747
  150   3HD1  LEU  22          2HD1      LEU  22  42.580   3.635   1.499
  151   1HD2  LEU  22          1HD2      LEU  22  41.748   6.559  -0.631
  152   2HD2  LEU  22          3HD2      LEU  22  40.304   7.064   0.217
  153   3HD2  LEU  22          2HD2      LEU  22  41.874   7.238   0.982
  154    H    TRP  23           H        TRP  23  40.790   1.212  -0.882
  155    HA   TRP  23           HA       TRP  23  42.647   0.514   1.283
  156   1HB   TRP  23          2HB       TRP  23  40.627  -1.267  -0.003
  157   2HB   TRP  23          1HB       TRP  23  42.203  -2.000   0.187
  158    HD1  TRP  23           HD1      TRP  23  39.279  -0.894   2.388
  159    HE1  TRP  23           HE1      TRP  23  39.942  -1.154   4.811
  160    HE3  TRP  23           HE3      TRP  23  44.109  -1.740   1.653
  161    HZ2  TRP  23           HZ2      TRP  23  42.259  -1.586   6.244
  162    HZ3  TRP  23           HZ3      TRP  23  45.648  -2.026   3.546
  163    HH2  TRP  23           HH2      TRP  23  44.720  -1.972   5.896
  164    H    PHE  24           H        PHE  24  44.408   0.049   0.990
  165    HA   PHE  24           HA       PHE  24  45.676   0.411  -1.601
  166   1HB   PHE  24          2HB       PHE  24  46.310   0.712   1.305
  167   2HB   PHE  24          1HB       PHE  24  47.686   0.157   0.440
  168    HD1  PHE  24           HD1      PHE  24  44.938   2.515  -0.668
  169    HD2  PHE  24           HD2      PHE  24  49.048   2.112   0.393
  170    HE1  PHE  24           HE1      PHE  24  45.330   4.839  -1.297
  171    HE2  PHE  24           HE2      PHE  24  49.436   4.455  -0.237
  172    HZ   PHE  24           HZ       PHE  24  47.576   5.825  -1.088
  173    H    TYR  25           H        TYR  25  44.473  -2.120  -1.507
  174    HA   TYR  25           HA       TYR  25  46.860  -3.862  -1.348
  175   1HB   TYR  25          2HB       TYR  25  44.019  -4.344  -0.628
  176   2HB   TYR  25          1HB       TYR  25  44.728  -5.632  -1.569
  177    HD1  TYR  25           HD1      TYR  25  46.689  -3.442   0.658
  178    HD2  TYR  25           HD2      TYR  25  44.845  -7.239   0.234
  179    HE1  TYR  25           HE1      TYR  25  47.870  -4.231   2.678
  180    HE2  TYR  25           HE2      TYR  25  46.032  -8.039   2.234
  181    HH   TYR  25           HH       TYR  25  48.457  -7.125   3.452
  182    HA   PRO  26           HA       PRO  26  46.632  -3.312  -5.528
  183   1HB   PRO  26          2HB       PRO  26  48.499  -5.172  -6.435
  184   2HB   PRO  26          1HB       PRO  26  48.989  -3.700  -5.584
  185   1HG   PRO  26          2HG       PRO  26  48.366  -6.448  -4.334
  186   2HG   PRO  26          1HG       PRO  26  49.847  -5.496  -4.149
  187   1HD   PRO  26          2HD       PRO  26  47.931  -5.239  -2.267
  188   2HD   PRO  26          1HD       PRO  26  48.623  -3.720  -2.874
  189    H    SER  27           H        SER  27  45.890  -6.261  -4.030
  190    HA   SER  27           HA       SER  27  44.640  -7.479  -6.407
  191   1HB   SER  27          2HB       SER  27  44.369  -9.375  -4.583
  192   2HB   SER  27          1HB       SER  27  45.999  -9.023  -5.191
  193    HG   SER  27           HG       SER  27  45.125  -8.766  -2.722
  194    H    GLY  28           H        GLY  28  43.647  -5.269  -4.257
  195   1HA   GLY  28          2HA       GLY  28  41.199  -4.688  -4.559
  196   2HA   GLY  28          1HA       GLY  28  40.857  -6.351  -4.094
  197    H    CYS  29           H        CYS  29  40.242  -6.496  -1.997
  198    HA   CYS  29           HA       CYS  29  41.051  -4.440  -0.084
  199   1HB   CYS  29          2HB       CYS  29  39.181  -6.717   0.503
  200   2HB   CYS  29          1HB       CYS  29  39.244  -5.069   1.059
  201    HA   PRO  30           HA       PRO  30  43.588  -7.430   2.069
  202   1HB   PRO  30          2HB       PRO  30  43.994  -6.299   4.465
  203   2HB   PRO  30          1HB       PRO  30  44.448  -5.365   3.023
  204   1HG   PRO  30          2HG       PRO  30  41.771  -5.372   4.413
  205   2HG   PRO  30          1HG       PRO  30  42.810  -3.992   4.256
  206   1HD   PRO  30          2HD       PRO  30  40.889  -4.383   2.379
  207   2HD   PRO  30          1HD       PRO  30  42.508  -3.919   1.823
  208    H    SER  31           H        SER  31  43.712  -8.452   4.312
  209    HA   SER  31           HA       SER  31  41.745 -10.430   4.448
  210   1HB   SER  31          2HB       SER  31  42.982 -10.919   6.690
  211   2HB   SER  31          1HB       SER  31  44.010 -10.834   5.244
  212    HG   SER  31           HG       SER  31  43.308  -8.654   6.923
  213    H    GLY  32           H        GLY  32  39.723  -9.955   4.861
  214   1HA   GLY  32          2HA       GLY  32  38.090  -9.874   6.765
  215   2HA   GLY  32          1HA       GLY  32  39.036  -8.556   7.430
  216    H    TRP  33           H        TRP  33  38.852  -8.110   4.126
  217    HA   TRP  33           HA       TRP  33  36.487  -6.336   4.383
  218   1HB   TRP  33          2HB       TRP  33  38.990  -6.079   2.725
  219   2HB   TRP  33          1HB       TRP  33  37.674  -4.928   2.702
  220    HD1  TRP  33           HD1      TRP  33  40.181  -6.423   5.307
  221    HE1  TRP  33           HE1      TRP  33  40.702  -4.701   7.038
  222    HE3  TRP  33           HE3      TRP  33  37.173  -2.767   3.620
  223    HZ2  TRP  33           HZ2      TRP  33  39.995  -2.137   7.620
  224    HZ3  TRP  33           HZ3      TRP  33  37.112  -0.622   4.817
  225    HH2  TRP  33           HH2      TRP  33  38.558  -0.297   6.839
  226    H    HIS  34           H        HIS  34  35.186  -6.209   2.483
  227    HA   HIS  34           HA       HIS  34  35.676  -8.345   0.435
  228   1HB   HIS  34          2HB       HIS  34  34.295  -9.155   2.352
  229   2HB   HIS  34          1HB       HIS  34  33.103  -7.919   2.014
  230    HD1  HIS  34           HD1      HIS  34  32.344  -8.205  -0.777
  231    HD2  HIS  34           HD2      HIS  34  33.589 -11.492   1.426
  232    HE1  HIS  34           HE1      HIS  34  31.492 -10.307  -1.879
  233    H    ASN  35           H        ASN  35  36.149  -5.684   0.212
  234    HA   ASN  35           HA       ASN  35  35.858  -3.883  -1.206
  235   1HB   ASN  35          2HB       ASN  35  35.751  -5.650  -2.962
  236   2HB   ASN  35          1HB       ASN  35  34.009  -5.729  -2.741
  237   1HD2  ASN  35          2HD2      ASN  35  35.653  -2.435  -4.576
  238   2HD2  ASN  35          1HD2      ASN  35  36.638  -3.442  -3.628
  239    H    CYS  36           H        CYS  36  34.523  -2.221  -1.891
  240    HA   CYS  36           HA       CYS  36  31.797  -2.114  -0.726
  241   1HB   CYS  36          2HB       CYS  36  32.396  -0.167   0.327
  242   2HB   CYS  36          1HB       CYS  36  33.972  -0.849   0.279
  243    H    LYS  37           H        LYS  37  34.153  -0.703  -2.885
  244    HA   LYS  37           HA       LYS  37  32.050  -0.348  -4.978
  245   1HB   LYS  37          2HB       LYS  37  33.227   1.739  -3.903
  246   2HB   LYS  37          1HB       LYS  37  34.618   1.258  -4.833
  247   1HG   LYS  37          2HG       LYS  37  33.294   1.320  -6.925
  248   2HG   LYS  37          1HG       LYS  37  31.859   1.763  -6.019
  249   1HD   LYS  37          2HD       LYS  37  33.147   3.823  -5.196
  250   2HD   LYS  37          1HD       LYS  37  34.416   3.393  -6.326
  251   1HE   LYS  37          2HE       LYS  37  32.928   5.044  -7.363
  252   2HE   LYS  37          1HE       LYS  37  32.735   3.516  -8.201
  253   1HZ   LYS  37          3HZ       LYS  37  30.919   3.628  -6.037
  254   2HZ   LYS  37          2HZ       LYS  37  30.780   5.037  -6.937
  255   3HZ   LYS  37          1HZ       LYS  37  30.593   3.537  -7.701
  256    H    ALA  38           H        ALA  38  32.290  -2.088  -6.226
  257    HA   ALA  38           HA       ALA  38  34.926  -3.194  -6.897
  258   1HB   ALA  38          3HB       ALA  38  32.156  -3.883  -7.974
  259   2HB   ALA  38          2HB       ALA  38  33.615  -4.818  -8.249
  260   3HB   ALA  38          1HB       ALA  38  32.948  -4.691  -6.626
  261    H    HIS  39           H        HIS  39  34.320  -0.447  -7.579
  262    HA   HIS  39           HA       HIS  39  34.780  -0.554 -10.526
  263   1HB   HIS  39          2HB       HIS  39  33.195   1.640  -9.118
  264   2HB   HIS  39          1HB       HIS  39  33.266   1.339 -10.846
  265    HD1  HIS  39           HD1      HIS  39  32.783  -1.808 -10.355
  266    HD2  HIS  39           HD2      HIS  39  30.512   1.373  -8.942
  267    HE1  HIS  39           HE1      HIS  39  30.525  -2.614  -9.824
  268    H    GLY  40           H        GLY  40  36.208  -0.065  -7.710
  269   1HA   GLY  40          2HA       GLY  40  38.554   0.891  -8.046
  270   2HA   GLY  40          1HA       GLY  40  37.726   2.340  -8.605
  271    HA   PRO  41           HA       PRO  41  38.546   4.134  -8.002
  272   1HB   PRO  41          2HB       PRO  41  40.049   5.854  -6.569
  273   2HB   PRO  41          1HB       PRO  41  38.282   5.909  -6.451
  274   1HG   PRO  41          2HG       PRO  41  40.219   4.348  -4.668
  275   2HG   PRO  41          1HG       PRO  41  38.986   5.465  -4.118
  276   1HD   PRO  41          2HD       PRO  41  38.345   2.954  -4.086
  277   2HD   PRO  41          1HD       PRO  41  37.163   4.137  -4.673
  278    H    ASN  42           H        ASN  42  41.164   4.959  -8.312
  279    HA   ASN  42           HA       ASN  42  42.634   2.421  -8.388
  280   1HB   ASN  42          2HB       ASN  42  44.135   3.676  -9.952
  281   2HB   ASN  42          1HB       ASN  42  42.481   3.897 -10.516
  282   1HD2  ASN  42          2HD2      ASN  42  44.509   7.187  -9.675
  283   2HD2  ASN  42          1HD2      ASN  42  45.244   5.704 -10.051
  284    H    ILE  43           H        ILE  43  42.132   5.157  -6.669
  285    HA   ILE  43           HA       ILE  43  44.793   5.168  -5.750
  286    HB   ILE  43           HB       ILE  43  42.540   6.878  -4.512
  287   1HG1  ILE  43          2HG1      ILE  43  44.294   7.560  -6.951
  288   2HG1  ILE  43          1HG1      ILE  43  42.589   7.183  -7.045
  289   1HG2  ILE  43          1HG2      ILE  43  44.800   6.846  -3.352
  290   2HG2  ILE  43          3HG2      ILE  43  45.557   7.413  -4.828
  291   3HG2  ILE  43          2HG2      ILE  43  44.419   8.431  -3.960
  292   1HD1  ILE  43          3HD1      ILE  43  42.042   9.152  -5.627
  293   2HD1  ILE  43          2HD1      ILE  43  43.743   9.582  -5.571
  294   3HD1  ILE  43          1HD1      ILE  43  42.888   9.604  -7.094
  295    H    GLY  44           H        GLY  44  43.253   3.004  -5.401
  296   1HA   GLY  44          2HA       GLY  44  43.610   1.318  -3.625
  297   2HA   GLY  44          1HA       GLY  44  43.104   2.515  -2.434
  298    H    TRP  45           H        TRP  45  42.072  -0.091  -3.894
  299    HA   TRP  45           HA       TRP  45  39.458   0.450  -4.970
  300   1HB   TRP  45          2HB       TRP  45  39.829  -1.952  -3.159
  301   2HB   TRP  45          1HB       TRP  45  38.909  -1.845  -4.652
  302    HD1  TRP  45           HD1      TRP  45  42.560  -1.931  -3.405
  303    HE1  TRP  45           HE1      TRP  45  44.034  -2.927  -5.118
  304    HE3  TRP  45           HE3      TRP  45  39.144  -2.404  -7.129
  305    HZ2  TRP  45           HZ2      TRP  45  43.856  -3.800  -7.723
  306    HZ3  TRP  45           HZ3      TRP  45  39.895  -3.366  -9.290
  307    HH2  TRP  45           HH2      TRP  45  42.249  -4.058  -9.582
  308    H    CYS  46           H        CYS  46  37.323   0.964  -3.827
  309    HA   CYS  46           HA       CYS  46  37.842   1.469  -0.970
  310   1HB   CYS  46          2HB       CYS  46  36.676   3.081  -2.639
  311   2HB   CYS  46          1HB       CYS  46  35.368   1.952  -2.593
  312    H    CYS  47           H        CYS  47  37.371   0.137   0.455
  313    HA   CYS  47           HA       CYS  47  35.536  -2.131  -0.079
  314   1HB   CYS  47          2HB       CYS  47  38.246  -2.037   1.160
  315   2HB   CYS  47          1HB       CYS  47  37.215  -3.394   1.311
  316    H    LYS  48           H        LYS  48  35.206  -3.447   1.960
  317    HA   LYS  48           HA       LYS  48  35.109  -1.740   4.212
  318   1HB   LYS  48          2HB       LYS  48  33.103  -1.260   2.649
  319   2HB   LYS  48          1HB       LYS  48  32.571  -2.907   2.930
  320   1HG   LYS  48          2HG       LYS  48  31.453  -1.193   4.326
  321   2HG   LYS  48          1HG       LYS  48  32.262  -2.452   5.266
  322   1HD   LYS  48          2HD       LYS  48  34.116  -1.059   5.721
  323   2HD   LYS  48          1HD       LYS  48  33.718   0.074   4.477
  324   1HE   LYS  48          2HE       LYS  48  31.686   0.762   5.868
  325   2HE   LYS  48          1HE       LYS  48  32.174  -0.388   7.104
  326   1HZ   LYS  48          1HZ       LYS  48  34.366   1.248   6.477
  327   2HZ   LYS  48          3HZ       LYS  48  33.012   2.233   6.763
  328   3HZ   LYS  48          2HZ       LYS  48  33.520   1.120   7.937
  329    H    LYS  49           H        LYS  49  34.572  -2.722   6.017
  330    HA   LYS  49           HA       LYS  49  35.505  -5.525   6.167
  331   1HB   LYS  49          2HB       LYS  49  34.503  -3.763   8.440
  332   2HB   LYS  49          1HB       LYS  49  35.396  -5.270   8.563
  333   1HG   LYS  49          2HG       LYS  49  37.257  -4.197   7.236
  334   2HG   LYS  49          1HG       LYS  49  36.377  -2.685   7.266
  335   1HD   LYS  49          2HD       LYS  49  37.906  -2.395   9.027
  336   2HD   LYS  49          1HD       LYS  49  36.461  -2.912   9.869
  337   1HE   LYS  49          2HE       LYS  49  38.643  -4.856   9.007
  338   2HE   LYS  49          1HE       LYS  49  38.603  -4.094  10.589
  339   1HZ   LYS  49          2HZ       LYS  49  36.081  -5.152  10.116
  340   2HZ   LYS  49          1HZ       LYS  49  37.213  -6.351   9.703
  341   3HZ   LYS  49          3HZ       LYS  49  37.228  -5.648  11.249
   
  No H/Q in entry =         341
  Start of MODEL    4
    1   1H    GLY   1          3H        GLY   1  42.672   6.411   7.364
    2   2H    GLY   1          2H        GLY   1  43.318   4.846   7.244
    3   3H    GLY   1          1H        GLY   1  44.123   6.154   6.516
    4   1HA   GLY   1          2HA       GLY   1  42.992   5.842   4.642
    5   2HA   GLY   1          1HA       GLY   1  42.120   4.514   5.419
    6    H    VAL   2           H        VAL   2  41.083   6.624   3.584
    7    HA   VAL   2           HA       VAL   2  39.231   8.101   5.386
    8    HB   VAL   2           HB       VAL   2  39.373   8.319   2.341
    9   1HG1  VAL   2          2HG1      VAL   2  37.440   9.423   3.397
   10   2HG1  VAL   2          1HG1      VAL   2  38.519  10.358   4.428
   11   3HG1  VAL   2          3HG1      VAL   2  38.531  10.593   2.687
   12   1HG2  VAL   2          3HG2      VAL   2  41.081   9.880   4.331
   13   2HG2  VAL   2          2HG2      VAL   2  41.692   8.710   3.176
   14   3HG2  VAL   2          1HG2      VAL   2  40.978  10.200   2.606
   15    HA   PRO   3           HA       PRO   3  35.997   5.399   3.735
   16   1HB   PRO   3          2HB       PRO   3  33.788   6.457   4.726
   17   2HB   PRO   3          1HB       PRO   3  34.980   5.652   5.756
   18   1HG   PRO   3          2HG       PRO   3  34.806   8.688   5.074
   19   2HG   PRO   3          1HG       PRO   3  34.753   8.000   6.700
   20   1HD   PRO   3          2HD       PRO   3  37.125   8.824   5.638
   21   2HD   PRO   3          1HD       PRO   3  37.057   7.373   6.649
   22    H    CYS   4           H        CYS   4  35.495   5.472   1.733
   23    HA   CYS   4           HA       CYS   4  34.844   8.072   0.415
   24   1HB   CYS   4          2HB       CYS   4  35.339   6.308  -1.649
   25   2HB   CYS   4          1HB       CYS   4  36.525   7.333  -0.903
   26    H    LEU   5           H        LEU   5  33.528   7.331  -1.809
   27    HA   LEU   5           HA       LEU   5  30.947   6.313  -0.745
   28   1HB   LEU   5          2HB       LEU   5  31.146   8.566  -2.096
   29   2HB   LEU   5          1HB       LEU   5  31.449   7.564  -3.498
   30    HG   LEU   5           HG       LEU   5  29.189   6.299  -2.531
   31   1HD1  LEU   5          1HD1      LEU   5  29.041   7.877  -0.614
   32   2HD1  LEU   5          3HD1      LEU   5  28.844   9.213  -1.733
   33   3HD1  LEU   5          2HD1      LEU   5  27.620   7.951  -1.635
   34   1HD2  LEU   5          2HD2      LEU   5  29.490   7.123  -4.826
   35   2HD2  LEU   5          1HD2      LEU   5  27.909   7.510  -4.206
   36   3HD2  LEU   5          3HD2      LEU   5  29.144   8.761  -4.300
   37    H    CYS   6           H        CYS   6  29.897   4.613  -1.986
   38    HA   CYS   6           HA       CYS   6  31.709   3.181  -3.813
   39   1HB   CYS   6          2HB       CYS   6  30.135   1.457  -1.932
   40   2HB   CYS   6          1HB       CYS   6  31.638   1.280  -2.732
   41    H    ASP   7           H        ASP   7  30.477   1.025  -4.357
   42    HA   ASP   7           HA       ASP   7  28.408   1.905  -6.220
   43   1HB   ASP   7          2HB       ASP   7  29.988   0.229  -6.993
   44   2HB   ASP   7          1HB       ASP   7  29.684  -0.807  -5.616
   45    H    SER   8           H        SER   8  28.439  -0.705  -3.811
   46    HA   SER   8           HA       SER   8  25.508  -0.395  -3.507
   47   1HB   SER   8          2HB       SER   8  26.050  -2.640  -2.124
   48   2HB   SER   8          1HB       SER   8  26.108  -2.698  -3.893
   49    HG   SER   8           HG       SER   8  28.177  -2.906  -2.122
   50    H    ASP   9           H        ASP   9  27.343   1.520  -2.539
   51    HA   ASP   9           HA       ASP   9  27.692   1.235   0.331
   52   1HB   ASP   9          2HB       ASP   9  29.282   2.614  -0.642
   53   2HB   ASP   9          1HB       ASP   9  28.218   3.397  -1.763
   54    H    GLY  10           H        GLY  10  25.355   0.539   0.357
   55   1HA   GLY  10          2HA       GLY  10  23.380   0.972   1.593
   56   2HA   GLY  10          1HA       GLY  10  23.762   2.704   1.554
   57    HA   PRO  11           HA       PRO  11  20.765   1.880  -2.009
   58   1HB   PRO  11          2HB       PRO  11  18.289   1.862  -0.979
   59   2HB   PRO  11          1HB       PRO  11  19.255   0.377  -0.890
   60   1HG   PRO  11          2HG       PRO  11  19.081   2.615   1.229
   61   2HG   PRO  11          1HG       PRO  11  18.667   0.912   1.455
   62   1HD   PRO  11          2HD       PRO  11  21.170   1.741   2.079
   63   2HD   PRO  11          1HD       PRO  11  20.969   0.201   1.222
   64    H    ARG  12           H        ARG  12  22.060   4.097  -0.472
   65    HA   ARG  12           HA       ARG  12  20.014   6.222  -0.862
   66   1HB   ARG  12          2HB       ARG  12  22.256   5.957   1.002
   67   2HB   ARG  12          1HB       ARG  12  21.816   7.578   0.475
   68   1HG   ARG  12          2HG       ARG  12  19.386   6.948   1.054
   69   2HG   ARG  12          1HG       ARG  12  20.032   5.479   1.771
   70   1HD   ARG  12          2HD       ARG  12  19.767   7.185   3.460
   71   2HD   ARG  12          1HD       ARG  12  21.489   6.848   3.209
   72    HE   ARG  12           HE       ARG  12  21.659   8.986   1.966
   73   1HH1  ARG  12          2HH1      ARG  12  18.437   8.620   2.008
   74   2HH1  ARG  12          1HH1      ARG  12  18.032  10.142   2.723
   75   1HH2  ARG  12          1HH2      ARG  12  21.374  10.776   3.606
   76   2HH2  ARG  12          2HH2      ARG  12  19.764  11.426   3.672
   77    HA   PRO  13           HA       PRO  13  22.594   8.048  -4.058
   78   1HB   PRO  13          2HB       PRO  13  21.296  10.350  -4.452
   79   2HB   PRO  13          1HB       PRO  13  20.533   8.799  -4.868
   80   1HG   PRO  13          2HG       PRO  13  20.311  10.331  -2.199
   81   2HG   PRO  13          1HG       PRO  13  18.969   9.902  -3.270
   82   1HD   PRO  13          2HD       PRO  13  19.610   8.255  -1.259
   83   2HD   PRO  13          1HD       PRO  13  19.244   7.531  -2.842
   84    H    ARG  14           H        ARG  14  23.966   7.919  -2.040
   85    HA   ARG  14           HA       ARG  14  25.691   8.889  -0.756
   86   1HB   ARG  14          2HB       ARG  14  25.302  11.384  -2.439
   87   2HB   ARG  14          1HB       ARG  14  26.775  10.738  -1.745
   88   1HG   ARG  14          2HG       ARG  14  26.646   8.774  -3.266
   89   2HG   ARG  14          1HG       ARG  14  25.222   9.449  -4.017
   90   1HD   ARG  14          2HD       ARG  14  27.897  10.877  -3.936
   91   2HD   ARG  14          1HD       ARG  14  27.238  10.018  -5.327
   92    HE   ARG  14           HE       ARG  14  25.782  12.319  -4.068
   93   1HH1  ARG  14          1HH2      ARG  14  24.013  12.010  -5.869
   94   2HH1  ARG  14          2HH2      ARG  14  24.615  12.447  -7.430
   95   1HH2  ARG  14          2HH1      ARG  14  27.968  12.228  -6.353
   96   2HH2  ARG  14          1HH1      ARG  14  26.961  12.566  -7.717
   97    H    GLY  15           H        GLY  15  25.838  11.818  -0.493
   98   1HA   GLY  15          2HA       GLY  15  25.009  13.561   0.909
   99   2HA   GLY  15          1HA       GLY  15  23.655  12.518   1.358
  100    H    ASN  16           H        ASN  16  24.636  10.374   2.420
  101    HA   ASN  16           HA       ASN  16  26.890  10.932   4.237
  102   1HB   ASN  16          2HB       ASN  16  25.510  10.702   6.322
  103   2HB   ASN  16          1HB       ASN  16  25.057  12.126   5.398
  104   1HD2  ASN  16          2HD2      ASN  16  22.026  10.059   6.385
  105   2HD2  ASN  16          1HD2      ASN  16  23.344  10.592   7.321
  106    H    THR  17           H        THR  17  26.897   9.067   2.437
  107    HA   THR  17           HA       THR  17  26.264   6.503   3.807
  108    HB   THR  17           HB       THR  17  26.221   5.624   1.376
  109    HG1  THR  17           HG1      THR  17  27.476   7.089   0.463
  110   1HG2  THR  17          1HG2      THR  17  24.483   8.126   1.791
  111   2HG2  THR  17          3HG2      THR  17  24.167   6.795   0.695
  112   3HG2  THR  17          2HG2      THR  17  24.055   6.551   2.437
  113    H    LEU  18           H        LEU  18  28.202   6.433   4.945
  114    HA   LEU  18           HA       LEU  18  30.742   6.042   3.378
  115   1HB   LEU  18          2HB       LEU  18  30.301   7.098   6.222
  116   2HB   LEU  18          1HB       LEU  18  31.867   6.821   5.512
  117    HG   LEU  18           HG       LEU  18  29.819   8.742   4.296
  118   1HD1  LEU  18          1HD1      LEU  18  32.218   9.357   6.093
  119   2HD1  LEU  18          3HD1      LEU  18  31.227  10.567   5.293
  120   3HD1  LEU  18          2HD1      LEU  18  30.537   9.553   6.545
  121   1HD2  LEU  18          3HD2      LEU  18  32.818   8.346   3.816
  122   2HD2  LEU  18          2HD2      LEU  18  31.548   7.882   2.702
  123   3HD2  LEU  18          1HD2      LEU  18  31.835   9.574   3.053
  124    H    SER  19           H        SER  19  29.793   3.908   3.122
  125    HA   SER  19           HA       SER  19  29.953   2.242   5.596
  126   1HB   SER  19          2HB       SER  19  27.947   2.213   3.913
  127   2HB   SER  19          1HB       SER  19  29.016   1.255   2.874
  128    HG   SER  19           HG       SER  19  27.741   0.487   5.163
  129    H    GLY  20           H        GLY  20  32.485   3.050   4.834
  130   1HA   GLY  20          2HA       GLY  20  33.961   0.678   4.842
  131   2HA   GLY  20          1HA       GLY  20  33.739   1.020   3.133
  132    H    ILE  21           H        ILE  21  36.217   0.872   3.534
  133    HA   ILE  21           HA       ILE  21  37.251   3.663   3.762
  134    HB   ILE  21           HB       ILE  21  38.391   1.151   5.057
  135   1HG1  ILE  21          2HG1      ILE  21  36.822   2.489   6.452
  136   2HG1  ILE  21          1HG1      ILE  21  38.431   2.432   7.140
  137   1HG2  ILE  21          1HG2      ILE  21  39.912   3.723   4.579
  138   2HG2  ILE  21          3HG2      ILE  21  40.447   2.435   5.647
  139   3HG2  ILE  21          2HG2      ILE  21  40.296   2.136   3.936
  140   1HD1  ILE  21          3HD1      ILE  21  38.910   4.702   6.136
  141   2HD1  ILE  21          2HD1      ILE  21  37.275   4.714   5.491
  142   3HD1  ILE  21          1HD1      ILE  21  37.539   4.743   7.204
  143    H    LEU  22           H        LEU  22  38.979   4.109   2.431
  144    HA   LEU  22           HA       LEU  22  39.017   2.581  -0.011
  145   1HB   LEU  22          2HB       LEU  22  40.458   4.350  -0.813
  146   2HB   LEU  22          1HB       LEU  22  39.312   5.061   0.294
  147    HG   LEU  22           HG       LEU  22  41.163   4.763   2.098
  148   1HD1  LEU  22          1HD1      LEU  22  42.822   4.729  -0.473
  149   2HD1  LEU  22          3HD1      LEU  22  43.474   4.983   1.139
  150   3HD1  LEU  22          2HD1      LEU  22  42.776   3.446   0.716
  151   1HD2  LEU  22          1HD2      LEU  22  41.392   6.798  -0.178
  152   2HD2  LEU  22          3HD2      LEU  22  40.320   6.933   1.197
  153   3HD2  LEU  22          2HD2      LEU  22  42.059   7.044   1.430
  154    H    TRP  23           H        TRP  23  40.673   1.258  -0.925
  155    HA   TRP  23           HA       TRP  23  42.737   0.459   0.984
  156   1HB   TRP  23          2HB       TRP  23  40.678  -1.290  -0.274
  157   2HB   TRP  23          1HB       TRP  23  42.273  -1.972  -0.137
  158    HD1  TRP  23           HD1      TRP  23  39.375  -1.118   2.182
  159    HE1  TRP  23           HE1      TRP  23  40.108  -1.435   4.562
  160    HE3  TRP  23           HE3      TRP  23  44.214  -1.609   1.291
  161    HZ2  TRP  23           HZ2      TRP  23  42.506  -1.750   5.929
  162    HZ3  TRP  23           HZ3      TRP  23  45.833  -1.850   3.122
  163    HH2  TRP  23           HH2      TRP  23  44.971  -1.950   5.502
  164    H    PHE  24           H        PHE  24  44.458   0.141   0.599
  165    HA   PHE  24           HA       PHE  24  45.643   0.390  -2.050
  166   1HB   PHE  24          2HB       PHE  24  46.386   0.788   0.829
  167   2HB   PHE  24          1HB       PHE  24  47.732   0.286  -0.110
  168    HD1  PHE  24           HD1      PHE  24  44.786   2.646  -0.430
  169    HD2  PHE  24           HD2      PHE  24  48.986   2.131  -0.960
  170    HE1  PHE  24           HE1      PHE  24  44.984   4.974  -1.173
  171    HE2  PHE  24           HE2      PHE  24  49.178   4.468  -1.699
  172    HZ   PHE  24           HZ       PHE  24  47.170   5.892  -1.805
  173    H    TYR  25           H        TYR  25  44.464  -2.019  -2.011
  174    HA   TYR  25           HA       TYR  25  46.736  -3.864  -1.653
  175   1HB   TYR  25          2HB       TYR  25  43.966  -4.132  -0.737
  176   2HB   TYR  25          1HB       TYR  25  44.515  -5.550  -1.592
  177    HD1  TYR  25           HD2      TYR  25  45.703  -3.123   1.034
  178    HD2  TYR  25           HD1      TYR  25  45.873  -7.070  -0.510
  179    HE1  TYR  25           HE2      TYR  25  47.074  -3.806   2.954
  180    HE2  TYR  25           HE1      TYR  25  47.236  -7.764   1.412
  181    HH   TYR  25           HH       TYR  25  48.449  -7.009   3.273
  182    HA   PRO  26           HA       PRO  26  46.422  -4.409  -6.000
  183   1HB   PRO  26          2HB       PRO  26  48.315  -6.372  -6.335
  184   2HB   PRO  26          1HB       PRO  26  48.776  -4.721  -5.890
  185   1HG   PRO  26          2HG       PRO  26  48.196  -7.069  -3.984
  186   2HG   PRO  26          1HG       PRO  26  49.665  -6.091  -4.059
  187   1HD   PRO  26          2HD       PRO  26  47.751  -5.388  -2.290
  188   2HD   PRO  26          1HD       PRO  26  48.463  -4.063  -3.232
  189    H    SER  27           H        SER  27  45.723  -6.765  -3.666
  190    HA   SER  27           HA       SER  27  44.501  -8.652  -5.568
  191   1HB   SER  27          2HB       SER  27  44.129  -9.858  -3.249
  192   2HB   SER  27          1HB       SER  27  45.799  -9.708  -3.826
  193    HG   SER  27           HG       SER  27  44.665  -8.611  -1.677
  194    H    GLY  28           H        GLY  28  43.556  -5.825  -4.406
  195   1HA   GLY  28          2HA       GLY  28  41.298  -5.014  -4.718
  196   2HA   GLY  28          1HA       GLY  28  40.673  -6.601  -4.244
  197    H    CYS  29           H        CYS  29  40.098  -6.791  -2.098
  198    HA   CYS  29           HA       CYS  29  40.891  -4.674  -0.248
  199   1HB   CYS  29          2HB       CYS  29  38.958  -6.932   0.276
  200   2HB   CYS  29          1HB       CYS  29  39.085  -5.354   0.971
  201    HA   PRO  30           HA       PRO  30  43.566  -7.599   1.786
  202   1HB   PRO  30          2HB       PRO  30  44.099  -6.403   4.134
  203   2HB   PRO  30          1HB       PRO  30  44.572  -5.626   2.613
  204   1HG   PRO  30          2HG       PRO  30  41.974  -5.273   4.106
  205   2HG   PRO  30          1HG       PRO  30  43.121  -4.020   3.774
  206   1HD   PRO  30          2HD       PRO  30  41.043  -4.409   2.094
  207   2HD   PRO  30          1HD       PRO  30  42.637  -4.112   1.374
  208    H    SER  31           H        SER  31  43.831  -8.682   3.906
  209    HA   SER  31           HA       SER  31  41.834 -10.540   4.318
  210   1HB   SER  31          2HB       SER  31  43.269 -10.965   6.477
  211   2HB   SER  31          1HB       SER  31  44.138 -11.021   4.932
  212    HG   SER  31           HG       SER  31  43.694  -8.670   6.467
  213    H    GLY  32           H        GLY  32  39.855 -10.008   4.925
  214   1HA   GLY  32          2HA       GLY  32  38.428  -9.796   6.982
  215   2HA   GLY  32          1HA       GLY  32  39.508  -8.528   7.523
  216    H    TRP  33           H        TRP  33  39.112  -7.991   4.314
  217    HA   TRP  33           HA       TRP  33  36.871  -6.118   4.821
  218   1HB   TRP  33          2HB       TRP  33  39.175  -6.035   2.847
  219   2HB   TRP  33          1HB       TRP  33  37.912  -4.829   2.912
  220    HD1  TRP  33           HD1      TRP  33  40.612  -6.316   5.342
  221    HE1  TRP  33           HE1      TRP  33  41.250  -4.553   6.987
  222    HE3  TRP  33           HE3      TRP  33  37.454  -2.796   3.760
  223    HZ2  TRP  33           HZ2      TRP  33  40.512  -1.908   7.537
  224    HZ3  TRP  33           HZ3      TRP  33  37.414  -0.618   4.825
  225    HH2  TRP  33           HH2      TRP  33  38.981  -0.145   6.761
  226    H    HIS  34           H        HIS  34  35.553  -5.703   2.773
  227    HA   HIS  34           HA       HIS  34  35.626  -8.078   0.963
  228   1HB   HIS  34          2HB       HIS  34  34.350  -8.672   2.998
  229   2HB   HIS  34          1HB       HIS  34  33.225  -7.369   2.650
  230    HD1  HIS  34           HD1      HIS  34  34.571 -10.462   0.937
  231    HD2  HIS  34           HD2      HIS  34  31.130  -8.134   1.094
  232    HE1  HIS  34           HE1      HIS  34  32.806 -11.536  -0.457
  233    H    ASN  35           H        ASN  35  36.060  -5.361   0.341
  234    HA   ASN  35           HA       ASN  35  35.666  -3.880  -1.344
  235   1HB   ASN  35          2HB       ASN  35  35.579  -5.636  -2.929
  236   2HB   ASN  35          1HB       ASN  35  34.050  -6.253  -2.346
  237   1HD2  ASN  35          2HD2      ASN  35  32.166  -3.727  -4.139
  238   2HD2  ASN  35          1HD2      ASN  35  32.157  -4.500  -2.617
  239    H    CYS  36           H        CYS  36  34.558  -2.110  -1.765
  240    HA   CYS  36           HA       CYS  36  31.745  -1.928  -0.802
  241   1HB   CYS  36          2HB       CYS  36  32.350  -0.064   0.339
  242   2HB   CYS  36          1HB       CYS  36  33.952  -0.664   0.250
  243    H    LYS  37           H        LYS  37  34.224  -0.916  -3.067
  244    HA   LYS  37           HA       LYS  37  32.139  -0.605  -5.166
  245   1HB   LYS  37          2HB       LYS  37  33.077   1.638  -4.113
  246   2HB   LYS  37          1HB       LYS  37  34.511   1.279  -5.037
  247   1HG   LYS  37          2HG       LYS  37  33.216   1.165  -7.118
  248   2HG   LYS  37          1HG       LYS  37  31.718   1.383  -6.233
  249   1HD   LYS  37          2HD       LYS  37  32.809   3.638  -5.395
  250   2HD   LYS  37          1HD       LYS  37  33.932   3.381  -6.710
  251   1HE   LYS  37          2HE       LYS  37  32.189   3.453  -8.365
  252   2HE   LYS  37          1HE       LYS  37  30.925   3.315  -7.149
  253   1HZ   LYS  37          3HZ       LYS  37  32.519   5.494  -6.490
  254   2HZ   LYS  37          2HZ       LYS  37  32.143   5.612  -8.143
  255   3HZ   LYS  37          1HZ       LYS  37  30.897   5.478  -6.983
  256    H    ALA  38           H        ALA  38  32.597  -1.914  -6.778
  257    HA   ALA  38           HA       ALA  38  35.384  -2.875  -7.204
  258   1HB   ALA  38          2HB       ALA  38  32.740  -3.881  -8.399
  259   2HB   ALA  38          1HB       ALA  38  34.318  -4.629  -8.604
  260   3HB   ALA  38          3HB       ALA  38  33.564  -4.610  -7.017
  261    H    HIS  39           H        HIS  39  34.540  -0.239  -7.765
  262    HA   HIS  39           HA       HIS  39  35.013  -0.142 -10.723
  263   1HB   HIS  39          2HB       HIS  39  33.185   1.808  -9.249
  264   2HB   HIS  39          1HB       HIS  39  33.261   1.553 -10.983
  265    HD1  HIS  39           HD1      HIS  39  33.037  -1.640 -10.573
  266    HD2  HIS  39           HD2      HIS  39  30.555   1.307  -9.023
  267    HE1  HIS  39           HE1      HIS  39  30.875  -2.640 -10.020
  268    H    GLY  40           H        GLY  40  36.959  -0.143  -8.909
  269   1HA   GLY  40          2HA       GLY  40  38.969   1.126  -8.610
  270   2HA   GLY  40          1HA       GLY  40  38.106   2.558  -9.193
  271    HA   PRO  41           HA       PRO  41  38.755   4.390  -8.341
  272   1HB   PRO  41          2HB       PRO  41  40.192   6.021  -6.727
  273   2HB   PRO  41          1HB       PRO  41  38.421   6.013  -6.625
  274   1HG   PRO  41          2HG       PRO  41  40.365   4.260  -5.007
  275   2HG   PRO  41          1HG       PRO  41  39.208   5.409  -4.333
  276   1HD   PRO  41          2HD       PRO  41  38.429   2.904  -4.531
  277   2HD   PRO  41          1HD       PRO  41  37.313   4.166  -5.074
  278    H    ASN  42           H        ASN  42  41.270   5.307  -8.407
  279    HA   ASN  42           HA       ASN  42  42.875   2.868  -8.744
  280   1HB   ASN  42          2HB       ASN  42  43.425   5.770  -9.636
  281   2HB   ASN  42          1HB       ASN  42  44.339   4.349 -10.116
  282   1HD2  ASN  42          2HD2      ASN  42  41.474   5.295 -12.542
  283   2HD2  ASN  42          1HD2      ASN  42  42.437   6.373 -11.649
  284    H    ILE  43           H        ILE  43  42.181   5.382  -6.773
  285    HA   ILE  43           HA       ILE  43  44.769   5.373  -5.680
  286    HB   ILE  43           HB       ILE  43  42.381   7.005  -4.577
  287   1HG1  ILE  43          2HG1      ILE  43  44.394   7.803  -6.776
  288   2HG1  ILE  43          1HG1      ILE  43  42.717   7.414  -7.078
  289   1HG2  ILE  43          1HG2      ILE  43  44.502   6.951  -3.176
  290   2HG2  ILE  43          3HG2      ILE  43  45.405   7.584  -4.535
  291   3HG2  ILE  43          2HG2      ILE  43  44.165   8.556  -3.763
  292   1HD1  ILE  43          1HD1      ILE  43  41.987   9.333  -5.674
  293   2HD1  ILE  43          3HD1      ILE  43  43.664   9.763  -5.388
  294   3HD1  ILE  43          2HD1      ILE  43  43.005   9.847  -7.004
  295    H    GLY  44           H        GLY  44  43.239   3.173  -5.552
  296   1HA   GLY  44          2HA       GLY  44  43.502   1.389  -3.880
  297   2HA   GLY  44          1HA       GLY  44  43.085   2.530  -2.620
  298    H    TRP  45           H        TRP  45  41.974   0.017  -4.226
  299    HA   TRP  45           HA       TRP  45  39.302   0.494  -5.077
  300   1HB   TRP  45          2HB       TRP  45  39.713  -1.880  -3.246
  301   2HB   TRP  45          1HB       TRP  45  38.759  -1.781  -4.703
  302    HD1  TRP  45           HD1      TRP  45  42.497  -1.887  -3.651
  303    HE1  TRP  45           HE1      TRP  45  43.791  -3.171  -5.339
  304    HE3  TRP  45           HE3      TRP  45  38.767  -2.649  -6.977
  305    HZ2  TRP  45           HZ2      TRP  45  43.336  -4.353  -7.802
  306    HZ3  TRP  45           HZ3      TRP  45  39.264  -3.907  -9.045
  307    HH2  TRP  45           HH2      TRP  45  41.546  -4.751  -9.457
  308    H    CYS  46           H        CYS  46  37.284   1.089  -3.797
  309    HA   CYS  46           HA       CYS  46  37.937   1.473  -0.939
  310   1HB   CYS  46          2HB       CYS  46  35.558   2.259  -2.660
  311   2HB   CYS  46          1HB       CYS  46  35.672   2.553  -0.943
  312    H    CYS  47           H        CYS  47  37.427   0.137   0.478
  313    HA   CYS  47           HA       CYS  47  35.449  -1.978  -0.092
  314   1HB   CYS  47          2HB       CYS  47  38.174  -2.108   1.093
  315   2HB   CYS  47          1HB       CYS  47  37.116  -3.411   1.298
  316    H    LYS  48           H        LYS  48  35.404  -3.322   2.232
  317    HA   LYS  48           HA       LYS  48  35.320  -1.378   4.344
  318   1HB   LYS  48          2HB       LYS  48  33.125  -1.384   4.859
  319   2HB   LYS  48          1HB       LYS  48  33.123  -1.232   3.119
  320   1HG   LYS  48          2HG       LYS  48  32.558  -3.718   4.741
  321   2HG   LYS  48          1HG       LYS  48  31.475  -2.726   3.800
  322   1HD   LYS  48          2HD       LYS  48  33.158  -3.130   1.886
  323   2HD   LYS  48          1HD       LYS  48  33.803  -4.384   2.879
  324   1HE   LYS  48          2HE       LYS  48  30.888  -4.338   1.921
  325   2HE   LYS  48          1HE       LYS  48  32.103  -5.492   1.410
  326   1HZ   LYS  48          1HZ       LYS  48  32.017  -5.538   4.187
  327   2HZ   LYS  48          3HZ       LYS  48  30.418  -5.611   3.605
  328   3HZ   LYS  48          2HZ       LYS  48  31.557  -6.767   3.105
  329    H    LYS  49           H        LYS  49  34.473  -2.429   6.294
  330    HA   LYS  49           HA       LYS  49  35.844  -5.076   6.582
  331   1HB   LYS  49          2HB       LYS  49  34.702  -3.152   8.659
  332   2HB   LYS  49          1HB       LYS  49  35.381  -4.718   9.072
  333   1HG   LYS  49          2HG       LYS  49  37.513  -4.015   7.868
  334   2HG   LYS  49          1HG       LYS  49  36.814  -2.410   7.699
  335   1HD   LYS  49          2HD       LYS  49  36.607  -2.212  10.155
  336   2HD   LYS  49          1HD       LYS  49  37.219  -3.846  10.359
  337   1HE   LYS  49          2HE       LYS  49  39.365  -3.152   9.264
  338   2HE   LYS  49          1HE       LYS  49  38.747  -1.505   9.162
  339   1HZ   LYS  49          3HZ       LYS  49  38.414  -2.405  11.783
  340   2HZ   LYS  49          2HZ       LYS  49  40.006  -2.753  11.302
  341   3HZ   LYS  49          1HZ       LYS  49  39.409  -1.160  11.195
   
  No H/Q in entry =         341
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  42.093   5.952   8.171
    2   2H    GLY   1          3H        GLY   1  42.652   4.357   7.989
    3   3H    GLY   1          2H        GLY   1  43.676   5.658   7.612
    4   1HA   GLY   1          2HA       GLY   1  42.958   5.667   5.533
    5   2HA   GLY   1          1HA       GLY   1  41.885   4.319   5.921
    6    H    VAL   2           H        VAL   2  41.201   6.305   4.104
    7    HA   VAL   2           HA       VAL   2  39.269   8.064   5.487
    8    HB   VAL   2           HB       VAL   2  39.860   7.943   2.507
    9   1HG1  VAL   2          3HG1      VAL   2  37.876   9.267   3.118
   10   2HG1  VAL   2          2HG1      VAL   2  38.841  10.229   4.231
   11   3HG1  VAL   2          1HG1      VAL   2  39.145  10.307   2.507
   12   1HG2  VAL   2          3HG2      VAL   2  41.354   9.603   4.590
   13   2HG2  VAL   2          2HG2      VAL   2  42.048   8.289   3.660
   14   3HG2  VAL   2          1HG2      VAL   2  41.554   9.756   2.853
   15    HA   PRO   3           HA       PRO   3  35.986   5.390   3.929
   16   1HB   PRO   3          2HB       PRO   3  33.801   6.678   4.818
   17   2HB   PRO   3          1HB       PRO   3  34.987   5.994   5.924
   18   1HG   PRO   3          2HG       PRO   3  34.994   8.866   4.778
   19   2HG   PRO   3          1HG       PRO   3  34.846   8.437   6.487
   20   1HD   PRO   3          2HD       PRO   3  37.275   8.938   5.456
   21   2HD   PRO   3          1HD       PRO   3  37.082   7.605   6.613
   22    H    CYS   4           H        CYS   4  35.089   5.180   1.999
   23    HA   CYS   4           HA       CYS   4  34.664   7.655   0.369
   24   1HB   CYS   4          2HB       CYS   4  35.278   5.814  -1.534
   25   2HB   CYS   4          1HB       CYS   4  36.464   6.838  -0.762
   26    H    LEU   5           H        LEU   5  33.351   7.345  -1.546
   27    HA   LEU   5           HA       LEU   5  30.752   6.249  -0.793
   28   1HB   LEU   5          2HB       LEU   5  31.157   8.446  -2.146
   29   2HB   LEU   5          1HB       LEU   5  31.564   7.411  -3.491
   30    HG   LEU   5           HG       LEU   5  29.214   6.277  -3.080
   31   1HD1  LEU   5          2HD1      LEU   5  28.788   7.381  -0.859
   32   2HD1  LEU   5          1HD1      LEU   5  28.793   8.944  -1.645
   33   3HD1  LEU   5          3HD1      LEU   5  27.540   7.774  -2.014
   34   1HD2  LEU   5          2HD2      LEU   5  29.744   7.686  -5.057
   35   2HD2  LEU   5          1HD2      LEU   5  28.109   7.972  -4.492
   36   3HD2  LEU   5          3HD2      LEU   5  29.374   9.138  -4.136
   37    H    CYS   6           H        CYS   6  30.081   4.223  -1.369
   38    HA   CYS   6           HA       CYS   6  31.715   2.797  -3.354
   39   1HB   CYS   6          2HB       CYS   6  29.929   1.357  -1.400
   40   2HB   CYS   6          1HB       CYS   6  31.274   0.834  -2.310
   41    H    ASP   7           H        ASP   7  30.377   0.814  -4.074
   42    HA   ASP   7           HA       ASP   7  28.394   2.003  -5.910
   43   1HB   ASP   7          2HB       ASP   7  30.071   0.313  -6.720
   44   2HB   ASP   7          1HB       ASP   7  29.428  -0.898  -5.640
   45    H    SER   8           H        SER   8  28.154  -1.033  -4.109
   46    HA   SER   8           HA       SER   8  25.425  -1.288  -3.895
   47   1HB   SER   8          2HB       SER   8  27.252  -1.991  -1.556
   48   2HB   SER   8          1HB       SER   8  25.969  -2.971  -2.294
   49    HG   SER   8           HG       SER   8  27.446  -3.700  -3.620
   50    H    ASP   9           H        ASP   9  27.536   0.692  -2.218
   51    HA   ASP   9           HA       ASP   9  26.419   1.569   0.125
   52   1HB   ASP   9          2HB       ASP   9  28.597   2.424  -0.730
   53   2HB   ASP   9          1HB       ASP   9  27.855   3.195  -2.063
   54    H    GLY  10           H        GLY  10  25.585   2.905  -3.070
   55   1HA   GLY  10          2HA       GLY  10  23.370   3.546  -3.721
   56   2HA   GLY  10          1HA       GLY  10  22.871   3.491  -2.035
   57    HA   PRO  11           HA       PRO  11  23.815   7.810  -3.757
   58   1HB   PRO  11          2HB       PRO  11  21.481   8.768  -4.588
   59   2HB   PRO  11          1HB       PRO  11  22.200   7.423  -5.498
   60   1HG   PRO  11          2HG       PRO  11  20.201   7.234  -3.154
   61   2HG   PRO  11          1HG       PRO  11  19.974   6.610  -4.790
   62   1HD   PRO  11          2HD       PRO  11  20.993   4.989  -2.855
   63   2HD   PRO  11          1HD       PRO  11  21.653   4.902  -4.499
   64    H    ARG  12           H        ARG  12  23.615   7.103  -1.134
   65    HA   ARG  12           HA       ARG  12  22.160   9.378   0.162
   66   1HB   ARG  12          2HB       ARG  12  22.740   6.579   1.036
   67   2HB   ARG  12          1HB       ARG  12  22.728   7.816   2.274
   68   1HG   ARG  12          2HG       ARG  12  20.510   6.885   2.082
   69   2HG   ARG  12          1HG       ARG  12  20.469   8.538   1.541
   70   1HD   ARG  12          2HD       ARG  12  20.430   7.826  -0.809
   71   2HD   ARG  12          1HD       ARG  12  20.616   6.136  -0.341
   72    HE   ARG  12           HE       ARG  12  18.254   7.843   0.368
   73   1HH1  ARG  12          1HH2      ARG  12  19.409   4.948   1.232
   74   2HH1  ARG  12          2HH2      ARG  12  18.128   3.967   0.598
   75   1HH2  ARG  12          2HH1      ARG  12  16.734   6.644  -1.205
   76   2HH2  ARG  12          1HH1      ARG  12  16.577   4.964  -0.836
   77    HA   PRO  13           HA       PRO  13  26.218  10.658   1.738
   78   1HB   PRO  13          2HB       PRO  13  25.587  12.133   3.916
   79   2HB   PRO  13          1HB       PRO  13  25.044  12.690   2.322
   80   1HG   PRO  13          2HG       PRO  13  23.484  10.864   4.267
   81   2HG   PRO  13          1HG       PRO  13  22.969  12.437   3.646
   82   1HD   PRO  13          2HD       PRO  13  22.193  10.208   2.356
   83   2HD   PRO  13          1HD       PRO  13  22.731  11.597   1.387
   84    H    ARG  14           H        ARG  14  27.706   9.864   3.251
   85    HA   ARG  14           HA       ARG  14  27.072   7.369   4.507
   86   1HB   ARG  14          2HB       ARG  14  29.493   9.142   4.987
   87   2HB   ARG  14          1HB       ARG  14  29.363   7.431   5.317
   88   1HG   ARG  14          2HG       ARG  14  29.136   6.949   2.908
   89   2HG   ARG  14          1HG       ARG  14  29.226   8.667   2.547
   90   1HD   ARG  14          2HD       ARG  14  31.482   8.759   3.693
   91   2HD   ARG  14          1HD       ARG  14  31.410   7.012   3.895
   92    HE   ARG  14           HE       ARG  14  31.651   6.730   1.546
   93   1HH1  ARG  14          2HH1      ARG  14  30.271   8.636   0.102
   94   2HH1  ARG  14          1HH1      ARG  14  31.373   9.912  -0.281
   95   1HH2  ARG  14          1HH2      ARG  14  33.686   8.943   2.148
   96   2HH2  ARG  14          2HH2      ARG  14  33.324  10.101   0.920
   97    H    GLY  15           H        GLY  15  25.438   9.478   5.658
   98   1HA   GLY  15          2HA       GLY  15  26.309  10.295   8.232
   99   2HA   GLY  15          1HA       GLY  15  24.646  10.233   7.695
  100    H    ASN  16           H        ASN  16  26.487   7.279   7.784
  101    HA   ASN  16           HA       ASN  16  25.018   6.539  10.298
  102   1HB   ASN  16          2HB       ASN  16  25.491   4.912   7.736
  103   2HB   ASN  16          1HB       ASN  16  25.171   4.107   9.264
  104   1HD2  ASN  16          2HD2      ASN  16  21.836   5.791   9.352
  105   2HD2  ASN  16          1HD2      ASN  16  23.189   5.828  10.378
  106    H    THR  17           H        THR  17  27.499   4.709   8.528
  107    HA   THR  17           HA       THR  17  29.532   5.542  10.508
  108    HB   THR  17           HB       THR  17  28.761   2.548  10.267
  109    HG1  THR  17           HG1      THR  17  27.788   4.678  11.800
  110   1HG2  THR  17          2HG2      THR  17  31.108   3.204  11.160
  111   2HG2  THR  17          1HG2      THR  17  30.304   4.129  12.420
  112   3HG2  THR  17          3HG2      THR  17  30.108   2.385  12.347
  113    H    LEU  18           H        LEU  18  29.404   6.167   7.974
  114    HA   LEU  18           HA       LEU  18  30.725   6.230   5.998
  115   1HB   LEU  18          2HB       LEU  18  32.455   4.247   7.475
  116   2HB   LEU  18          1HB       LEU  18  32.854   5.027   5.974
  117    HG   LEU  18           HG       LEU  18  33.947   6.393   7.539
  118   1HD1  LEU  18          3HD1      LEU  18  32.543   7.890   6.126
  119   2HD1  LEU  18          2HD1      LEU  18  31.266   7.820   7.325
  120   3HD1  LEU  18          1HD1      LEU  18  32.793   8.558   7.725
  121   1HD2  LEU  18          1HD2      LEU  18  33.132   5.356   9.547
  122   2HD2  LEU  18          3HD2      LEU  18  33.131   7.108   9.677
  123   3HD2  LEU  18          2HD2      LEU  18  31.623   6.260   9.430
  124    H    SER  19           H        SER  19  30.816   5.168   4.026
  125    HA   SER  19           HA       SER  19  29.174   2.734   3.912
  126   1HB   SER  19          2HB       SER  19  29.567   3.291   1.378
  127   2HB   SER  19          1HB       SER  19  28.551   4.387   2.356
  128    HG   SER  19           HG       SER  19  31.106   4.721   1.353
  129    H    GLY  20           H        GLY  20  32.407   3.436   4.135
  130   1HA   GLY  20          2HA       GLY  20  33.450   0.888   4.130
  131   2HA   GLY  20          1HA       GLY  20  33.438   1.297   2.405
  132    H    ILE  21           H        ILE  21  35.942   0.941   3.233
  133    HA   ILE  21           HA       ILE  21  37.005   3.712   3.632
  134    HB   ILE  21           HB       ILE  21  38.216   1.123   4.680
  135   1HG1  ILE  21          2HG1      ILE  21  36.195   1.724   6.047
  136   2HG1  ILE  21          1HG1      ILE  21  37.652   1.888   6.999
  137   1HG2  ILE  21          2HG2      ILE  21  39.156   3.958   5.101
  138   2HG2  ILE  21          1HG2      ILE  21  39.822   2.544   5.907
  139   3HG2  ILE  21          3HG2      ILE  21  39.962   2.708   4.167
  140   1HD1  ILE  21          1HD1      ILE  21  37.630   4.366   6.588
  141   2HD1  ILE  21          3HD1      ILE  21  36.161   4.164   5.649
  142   3HD1  ILE  21          2HD1      ILE  21  36.157   3.819   7.365
  143    H    LEU  22           H        LEU  22  38.784   4.153   2.368
  144    HA   LEU  22           HA       LEU  22  38.920   2.613  -0.068
  145   1HB   LEU  22          2HB       LEU  22  40.814   4.183  -0.686
  146   2HB   LEU  22          1HB       LEU  22  39.338   4.977  -0.221
  147    HG   LEU  22           HG       LEU  22  40.362   5.233   2.109
  148   1HD1  LEU  22          2HD1      LEU  22  42.937   4.659   0.585
  149   2HD1  LEU  22          1HD1      LEU  22  42.870   5.366   2.185
  150   3HD1  LEU  22          3HD1      LEU  22  42.350   3.732   1.941
  151   1HD2  LEU  22          2HD2      LEU  22  40.126   7.114   0.480
  152   2HD2  LEU  22          1HD2      LEU  22  41.624   7.299   1.377
  153   3HD2  LEU  22          3HD2      LEU  22  41.647   6.675  -0.263
  154    H    TRP  23           H        TRP  23  40.707   1.392  -0.895
  155    HA   TRP  23           HA       TRP  23  42.654   0.580   1.123
  156   1HB   TRP  23          2HB       TRP  23  40.661  -1.211  -0.201
  157   2HB   TRP  23          1HB       TRP  23  42.249  -1.852   0.029
  158    HD1  TRP  23           HD1      TRP  23  39.231  -1.014   2.201
  159    HE1  TRP  23           HE1      TRP  23  39.833  -1.230   4.619
  160    HE3  TRP  23           HE3      TRP  23  44.109  -1.382   1.577
  161    HZ2  TRP  23           HZ2      TRP  23  42.144  -1.419   6.121
  162    HZ3  TRP  23           HZ3      TRP  23  45.641  -1.505   3.512
  163    HH2  TRP  23           HH2      TRP  23  44.644  -1.548   5.842
  164    H    PHE  24           H        PHE  24  44.373   0.284   0.775
  165    HA   PHE  24           HA       PHE  24  45.663   0.555  -1.811
  166   1HB   PHE  24          2HB       PHE  24  46.224   1.011   1.097
  167   2HB   PHE  24          1HB       PHE  24  47.631   0.516   0.249
  168    HD1  PHE  24           HD1      PHE  24  44.747   2.918   0.178
  169    HD2  PHE  24           HD2      PHE  24  48.757   2.229  -1.092
  170    HE1  PHE  24           HE1      PHE  24  44.883   5.222  -0.646
  171    HE2  PHE  24           HE2      PHE  24  48.888   4.535  -1.916
  172    HZ   PHE  24           HZ       PHE  24  46.955   6.038  -1.694
  173    H    TYR  25           H        TYR  25  44.526  -1.826  -1.859
  174    HA   TYR  25           HA       TYR  25  46.787  -3.661  -1.413
  175   1HB   TYR  25          2HB       TYR  25  43.947  -3.923  -0.608
  176   2HB   TYR  25          1HB       TYR  25  44.569  -5.346  -1.425
  177    HD1  TYR  25           HD2      TYR  25  45.587  -2.875   1.223
  178    HD2  TYR  25           HD1      TYR  25  45.856  -6.857  -0.231
  179    HE1  TYR  25           HE2      TYR  25  46.849  -3.514   3.221
  180    HE2  TYR  25           HE1      TYR  25  47.115  -7.501   1.768
  181    HH   TYR  25           HH       TYR  25  48.288  -6.666   3.633
  182    HA   PRO  26           HA       PRO  26  46.458  -4.308  -5.763
  183   1HB   PRO  26          2HB       PRO  26  48.071  -6.514  -6.005
  184   2HB   PRO  26          1HB       PRO  26  48.761  -4.939  -5.587
  185   1HG   PRO  26          2HG       PRO  26  47.862  -7.160  -3.649
  186   2HG   PRO  26          1HG       PRO  26  49.424  -6.340  -3.708
  187   1HD   PRO  26          2HD       PRO  26  47.507  -5.435  -2.000
  188   2HD   PRO  26          1HD       PRO  26  48.437  -4.197  -2.858
  189    H    SER  27           H        SER  27  45.710  -6.635  -3.369
  190    HA   SER  27           HA       SER  27  44.106  -8.371  -5.097
  191   1HB   SER  27          2HB       SER  27  43.704  -9.447  -2.735
  192   2HB   SER  27          1HB       SER  27  45.397  -9.426  -3.278
  193    HG   SER  27           HG       SER  27  44.075  -7.846  -1.393
  194    H    GLY  28           H        GLY  28  43.364  -5.557  -4.853
  195   1HA   GLY  28          2HA       GLY  28  41.273  -4.451  -4.746
  196   2HA   GLY  28          1HA       GLY  28  40.539  -5.960  -4.219
  197    H    CYS  29           H        CYS  29  40.549  -6.518  -2.083
  198    HA   CYS  29           HA       CYS  29  41.134  -4.376  -0.169
  199   1HB   CYS  29          2HB       CYS  29  39.465  -6.838   0.296
  200   2HB   CYS  29          1HB       CYS  29  39.476  -5.290   1.067
  201    HA   PRO  30           HA       PRO  30  43.594  -7.426   2.139
  202   1HB   PRO  30          2HB       PRO  30  43.980  -6.233   4.448
  203   2HB   PRO  30          1HB       PRO  30  44.528  -5.422   2.968
  204   1HG   PRO  30          2HG       PRO  30  41.820  -5.100   4.288
  205   2HG   PRO  30          1HG       PRO  30  42.979  -3.828   4.071
  206   1HD   PRO  30          2HD       PRO  30  41.014  -4.300   2.216
  207   2HD   PRO  30          1HD       PRO  30  42.620  -3.812   1.671
  208    H    SER  31           H        SER  31  43.605  -8.624   4.071
  209    HA   SER  31           HA       SER  31  41.529 -10.335   4.435
  210   1HB   SER  31          2HB       SER  31  43.608  -9.627   6.538
  211   2HB   SER  31          1HB       SER  31  42.908 -11.222   6.210
  212    HG   SER  31           HG       SER  31  44.421 -11.409   4.737
  213    H    GLY  32           H        GLY  32  39.585  -9.852   5.072
  214   1HA   GLY  32          2HA       GLY  32  38.133  -9.584   7.110
  215   2HA   GLY  32          1HA       GLY  32  39.177  -8.250   7.589
  216    H    TRP  33           H        TRP  33  38.982  -7.834   4.418
  217    HA   TRP  33           HA       TRP  33  36.605  -6.075   4.582
  218   1HB   TRP  33          2HB       TRP  33  39.105  -5.928   2.869
  219   2HB   TRP  33          1HB       TRP  33  37.818  -4.750   2.815
  220    HD1  TRP  33           HD1      TRP  33  40.382  -6.140   5.462
  221    HE1  TRP  33           HE1      TRP  33  40.836  -4.325   7.130
  222    HE3  TRP  33           HE3      TRP  33  37.222  -2.730   3.623
  223    HZ2  TRP  33           HZ2      TRP  33  39.986  -1.741   7.607
  224    HZ3  TRP  33           HZ3      TRP  33  37.042  -0.546   4.691
  225    HH2  TRP  33           HH2      TRP  33  38.461  -0.041   6.711
  226    H    HIS  34           H        HIS  34  35.472  -5.894   2.464
  227    HA   HIS  34           HA       HIS  34  35.916  -8.270   0.704
  228   1HB   HIS  34          2HB       HIS  34  34.458  -8.807   2.683
  229   2HB   HIS  34          1HB       HIS  34  33.271  -7.663   2.092
  230    HD1  HIS  34           HD1      HIS  34  32.529  -8.298  -0.509
  231    HD2  HIS  34           HD2      HIS  34  34.101 -11.280   1.895
  232    HE1  HIS  34           HE1      HIS  34  31.844 -10.544  -1.442
  233    H    ASN  35           H        ASN  35  36.284  -5.503   0.240
  234    HA   ASN  35           HA       ASN  35  36.079  -3.929  -1.366
  235   1HB   ASN  35          2HB       ASN  35  36.324  -5.904  -2.856
  236   2HB   ASN  35          1HB       ASN  35  34.576  -6.112  -2.869
  237   1HD2  ASN  35          2HD2      ASN  35  34.010  -3.328  -4.948
  238   2HD2  ASN  35          1HD2      ASN  35  33.291  -4.355  -3.785
  239    H    CYS  36           H        CYS  36  34.814  -2.257  -2.084
  240    HA   CYS  36           HA       CYS  36  31.932  -2.351  -1.389
  241   1HB   CYS  36          2HB       CYS  36  32.227  -0.556  -0.097
  242   2HB   CYS  36          1HB       CYS  36  33.845  -1.094   0.012
  243    H    LYS  37           H        LYS  37  34.412  -0.771  -3.321
  244    HA   LYS  37           HA       LYS  37  32.313  -0.334  -5.438
  245   1HB   LYS  37          2HB       LYS  37  33.223   1.856  -4.444
  246   2HB   LYS  37          1HB       LYS  37  34.799   1.432  -5.077
  247   1HG   LYS  37          2HG       LYS  37  33.587   1.066  -7.378
  248   2HG   LYS  37          1HG       LYS  37  32.192   1.794  -6.644
  249   1HD   LYS  37          2HD       LYS  37  34.859   3.199  -6.985
  250   2HD   LYS  37          1HD       LYS  37  33.521   3.324  -8.104
  251   1HE   LYS  37          2HE       LYS  37  32.118   4.144  -6.064
  252   2HE   LYS  37          1HE       LYS  37  33.675   4.344  -5.264
  253   1HZ   LYS  37          3HZ       LYS  37  33.871   5.450  -7.818
  254   2HZ   LYS  37          2HZ       LYS  37  32.447   6.045  -7.086
  255   3HZ   LYS  37          1HZ       LYS  37  33.950   6.224  -6.306
  256    H    ALA  38           H        ALA  38  32.687  -2.101  -6.580
  257    HA   ALA  38           HA       ALA  38  35.364  -3.139  -7.177
  258   1HB   ALA  38          3HB       ALA  38  32.652  -3.841  -8.413
  259   2HB   ALA  38          2HB       ALA  38  34.142  -4.752  -8.610
  260   3HB   ALA  38          1HB       ALA  38  33.367  -4.677  -7.034
  261    H    HIS  39           H        HIS  39  34.372  -0.386  -7.938
  262    HA   HIS  39           HA       HIS  39  35.297  -0.447 -10.767
  263   1HB   HIS  39          2HB       HIS  39  33.074   1.370  -9.744
  264   2HB   HIS  39          1HB       HIS  39  33.503   1.058 -11.420
  265    HD1  HIS  39           HD1      HIS  39  33.561  -2.089 -11.099
  266    HD2  HIS  39           HD2      HIS  39  30.611   0.471  -9.634
  267    HE1  HIS  39           HE1      HIS  39  31.477  -3.347 -10.781
  268    H    GLY  40           H        GLY  40  36.418   0.355  -7.921
  269   1HA   GLY  40          2HA       GLY  40  38.380   2.069  -8.554
  270   2HA   GLY  40          1HA       GLY  40  37.026   3.197  -8.471
  271    HA   PRO  41           HA       PRO  41  38.549   4.842  -7.552
  272   1HB   PRO  41          2HB       PRO  41  40.508   5.830  -6.012
  273   2HB   PRO  41          1HB       PRO  41  38.821   6.035  -5.541
  274   1HG   PRO  41          2HG       PRO  41  40.614   3.632  -4.752
  275   2HG   PRO  41          1HG       PRO  41  39.864   4.771  -3.623
  276   1HD   PRO  41          2HD       PRO  41  38.510   2.647  -4.130
  277   2HD   PRO  41          1HD       PRO  41  37.632   4.169  -4.314
  278    H    ASN  42           H        ASN  42  41.169   5.613  -7.988
  279    HA   ASN  42           HA       ASN  42  42.282   3.232  -9.281
  280   1HB   ASN  42          2HB       ASN  42  43.609   4.879 -10.584
  281   2HB   ASN  42          1HB       ASN  42  41.964   5.504 -10.581
  282   1HD2  ASN  42          2HD2      ASN  42  44.750   7.878  -9.099
  283   2HD2  ASN  42          1HD2      ASN  42  45.067   6.619 -10.192
  284    H    ILE  43           H        ILE  43  42.391   5.056  -6.572
  285    HA   ILE  43           HA       ILE  43  45.141   4.620  -6.274
  286    HB   ILE  43           HB       ILE  43  44.752   5.697  -3.845
  287   1HG1  ILE  43          2HG1      ILE  43  42.089   6.484  -5.032
  288   2HG1  ILE  43          1HG1      ILE  43  42.217   5.027  -4.047
  289   1HG2  ILE  43          3HG2      ILE  43  43.974   7.264  -6.349
  290   2HG2  ILE  43          2HG2      ILE  43  44.474   7.986  -4.830
  291   3HG2  ILE  43          1HG2      ILE  43  45.608   7.031  -5.758
  292   1HD1  ILE  43          2HD1      ILE  43  42.935   7.870  -3.196
  293   2HD1  ILE  43          1HD1      ILE  43  41.508   6.976  -2.698
  294   3HD1  ILE  43          3HD1      ILE  43  43.104   6.441  -2.185
  295    H    GLY  44           H        GLY  44  43.386   2.530  -6.384
  296   1HA   GLY  44          2HA       GLY  44  44.256   0.306  -5.399
  297   2HA   GLY  44          1HA       GLY  44  43.739   1.017  -3.867
  298    H    TRP  45           H        TRP  45  41.717   0.513  -3.353
  299    HA   TRP  45           HA       TRP  45  39.485   0.518  -5.296
  300   1HB   TRP  45          2HB       TRP  45  39.722  -2.014  -3.627
  301   2HB   TRP  45          1HB       TRP  45  38.881  -1.785  -5.150
  302    HD1  TRP  45           HD1      TRP  45  42.492  -2.047  -3.754
  303    HE1  TRP  45           HE1      TRP  45  44.019  -2.992  -5.424
  304    HE3  TRP  45           HE3      TRP  45  39.247  -2.273  -7.663
  305    HZ2  TRP  45           HZ2      TRP  45  43.963  -3.743  -8.057
  306    HZ3  TRP  45           HZ3      TRP  45  40.101  -3.142  -9.821
  307    HH2  TRP  45           HH2      TRP  45  42.461  -3.875 -10.018
  308    H    CYS  46           H        CYS  46  37.337   0.740  -3.954
  309    HA   CYS  46           HA       CYS  46  38.015   1.413  -1.123
  310   1HB   CYS  46          2HB       CYS  46  36.776   3.106  -2.616
  311   2HB   CYS  46          1HB       CYS  46  35.489   1.932  -2.703
  312    H    CYS  47           H        CYS  47  37.438   0.118   0.359
  313    HA   CYS  47           HA       CYS  47  35.526  -2.056  -0.269
  314   1HB   CYS  47          2HB       CYS  47  38.096  -2.136   1.275
  315   2HB   CYS  47          1HB       CYS  47  37.008  -3.432   1.242
  316    H    LYS  48           H        LYS  48  35.333  -3.246   2.110
  317    HA   LYS  48           HA       LYS  48  34.892  -1.187   4.080
  318   1HB   LYS  48          2HB       LYS  48  32.661  -1.407   4.418
  319   2HB   LYS  48          1HB       LYS  48  32.787  -1.301   2.683
  320   1HG   LYS  48          2HG       LYS  48  32.371  -3.813   4.339
  321   2HG   LYS  48          1HG       LYS  48  31.258  -2.965   3.304
  322   1HD   LYS  48          2HD       LYS  48  33.068  -3.210   1.508
  323   2HD   LYS  48          1HD       LYS  48  33.838  -4.323   2.563
  324   1HE   LYS  48          2HE       LYS  48  32.483  -5.750   1.095
  325   2HE   LYS  48          1HE       LYS  48  31.948  -5.853   2.756
  326   1HZ   LYS  48          3HZ       LYS  48  30.517  -3.802   1.487
  327   2HZ   LYS  48          2HZ       LYS  48  30.498  -5.186   0.504
  328   3HZ   LYS  48          1HZ       LYS  48  29.942  -5.282   2.114
  329    H    LYS  49           H        LYS  49  33.994  -2.230   5.996
  330    HA   LYS  49           HA       LYS  49  35.522  -4.751   6.515
  331   1HB   LYS  49          2HB       LYS  49  34.167  -2.761   8.369
  332   2HB   LYS  49          1HB       LYS  49  34.697  -4.325   8.959
  333   1HG   LYS  49          2HG       LYS  49  37.019  -3.764   8.014
  334   2HG   LYS  49          1HG       LYS  49  36.422  -2.127   7.758
  335   1HD   LYS  49          2HD       LYS  49  35.918  -1.871  10.142
  336   2HD   LYS  49          1HD       LYS  49  36.288  -3.558  10.453
  337   1HE   LYS  49          2HE       LYS  49  38.669  -3.119   9.737
  338   2HE   LYS  49          1HE       LYS  49  38.268  -1.409   9.594
  339   1HZ   LYS  49          1HZ       LYS  49  37.344  -2.328  12.066
  340   2HZ   LYS  49          3HZ       LYS  49  38.953  -2.842  11.888
  341   3HZ   LYS  49          2HZ       LYS  49  38.564  -1.193  11.751
   
  No H/Q in entry =         341
  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1  41.621   6.054   7.680
    2   2H    GLY   1          1H        GLY   1  42.316   4.506   7.622
    3   3H    GLY   1          3H        GLY   1  43.219   5.861   7.127
    4   1HA   GLY   1          2HA       GLY   1  42.481   5.613   5.054
    5   2HA   GLY   1          1HA       GLY   1  41.507   4.238   5.590
    6    H    VAL   2           H        VAL   2  40.956   6.660   3.780
    7    HA   VAL   2           HA       VAL   2  38.746   7.961   5.226
    8    HB   VAL   2           HB       VAL   2  39.538   8.321   2.297
    9   1HG1  VAL   2          2HG1      VAL   2  38.180  10.249   4.213
   10   2HG1  VAL   2          1HG1      VAL   2  38.622  10.590   2.551
   11   3HG1  VAL   2          3HG1      VAL   2  37.404   9.382   2.893
   12   1HG2  VAL   2          1HG2      VAL   2  40.679   9.783   4.720
   13   2HG2  VAL   2          3HG2      VAL   2  41.582   8.679   3.708
   14   3HG2  VAL   2          2HG2      VAL   2  41.015  10.193   3.047
   15    HA   PRO   3           HA       PRO   3  35.739   5.313   3.139
   16   1HB   PRO   3          2HB       PRO   3  33.437   6.541   3.724
   17   2HB   PRO   3          1HB       PRO   3  34.406   5.860   5.049
   18   1HG   PRO   3          2HG       PRO   3  34.647   8.725   3.883
   19   2HG   PRO   3          1HG       PRO   3  34.172   8.366   5.533
   20   1HD   PRO   3          2HD       PRO   3  36.726   8.789   5.082
   21   2HD   PRO   3          1HD       PRO   3  36.347   7.352   6.038
   22    H    CYS   4           H        CYS   4  34.355   5.369   1.275
   23    HA   CYS   4           HA       CYS   4  34.536   7.926  -0.298
   24   1HB   CYS   4          2HB       CYS   4  35.329   6.775  -2.226
   25   2HB   CYS   4          1HB       CYS   4  36.199   6.005  -0.920
   26    H    LEU   5           H        LEU   5  33.017   7.775  -2.240
   27    HA   LEU   5           HA       LEU   5  30.382   6.874  -1.246
   28   1HB   LEU   5          2HB       LEU   5  30.876   9.168  -2.473
   29   2HB   LEU   5          1HB       LEU   5  30.951   8.210  -3.935
   30    HG   LEU   5           HG       LEU   5  28.603   7.279  -3.281
   31   1HD1  LEU   5          2HD1      LEU   5  28.685   8.067  -0.878
   32   2HD1  LEU   5          1HD1      LEU   5  28.690   9.723  -1.443
   33   3HD1  LEU   5          3HD1      LEU   5  27.299   8.695  -1.737
   34   1HD2  LEU   5          2HD2      LEU   5  28.862  10.258  -3.891
   35   2HD2  LEU   5          1HD2      LEU   5  28.928   8.970  -5.083
   36   3HD2  LEU   5          3HD2      LEU   5  27.449   9.263  -4.189
   37    H    CYS   6           H        CYS   6  31.013   4.646  -1.319
   38    HA   CYS   6           HA       CYS   6  31.848   3.409  -3.682
   39   1HB   CYS   6          2HB       CYS   6  30.331   1.882  -1.574
   40   2HB   CYS   6          1HB       CYS   6  31.649   1.365  -2.561
   41    H    ASP   7           H        ASP   7  30.766   1.561  -4.437
   42    HA   ASP   7           HA       ASP   7  28.605   2.229  -6.081
   43   1HB   ASP   7          2HB       ASP   7  29.948   0.212  -6.567
   44   2HB   ASP   7          1HB       ASP   7  29.457  -0.534  -5.060
   45    H    SER   8           H        SER   8  28.450   0.522  -3.006
   46    HA   SER   8           HA       SER   8  25.527   0.641  -2.946
   47   1HB   SER   8          2HB       SER   8  26.128  -0.629  -0.680
   48   2HB   SER   8          1HB       SER   8  26.462  -1.462  -2.210
   49    HG   SER   8           HG       SER   8  28.232  -0.545  -0.366
   50    H    ASP   9           H        ASP   9  28.026   2.672  -2.144
   51    HA   ASP   9           HA       ASP   9  27.026   3.627   0.411
   52   1HB   ASP   9          2HB       ASP   9  29.421   3.877  -0.479
   53   2HB   ASP   9          1HB       ASP   9  28.857   5.149  -1.519
   54    H    GLY  10           H        GLY  10  24.840   3.800  -0.155
   55   1HA   GLY  10          2HA       GLY  10  23.805   6.374  -0.437
   56   2HA   GLY  10          1HA       GLY  10  23.799   5.717  -2.070
   57    HA   PRO  11           HA       PRO  11  20.033   3.821  -1.153
   58   1HB   PRO  11          2HB       PRO  11  19.789   1.796  -2.918
   59   2HB   PRO  11          1HB       PRO  11  20.123   3.422  -3.538
   60   1HG   PRO  11          2HG       PRO  11  22.197   1.256  -2.784
   61   2HG   PRO  11          1HG       PRO  11  22.019   2.042  -4.352
   62   1HD   PRO  11          2HD       PRO  11  23.783   3.059  -2.558
   63   2HD   PRO  11          1HD       PRO  11  22.793   4.158  -3.536
   64    H    ARG  12           H        ARG  12  22.570   2.338  -0.161
   65    HA   ARG  12           HA       ARG  12  21.158   0.030   1.110
   66   1HB   ARG  12          2HB       ARG  12  23.997   0.455   0.327
   67   2HB   ARG  12          1HB       ARG  12  23.740  -0.459   1.792
   68   1HG   ARG  12          2HG       ARG  12  23.822  -2.023  -0.023
   69   2HG   ARG  12          1HG       ARG  12  22.174  -1.971   0.537
   70   1HD   ARG  12          2HD       ARG  12  21.502  -0.566  -1.368
   71   2HD   ARG  12          1HD       ARG  12  23.184  -0.410  -1.873
   72    HE   ARG  12           HE       ARG  12  22.892  -2.422  -3.012
   73   1HH1  ARG  12          1HH2      ARG  12  22.926  -4.290  -0.890
   74   2HH1  ARG  12          2HH2      ARG  12  21.356  -5.021  -0.898
   75   1HH2  ARG  12          2HH1      ARG  12  19.973  -2.401  -2.786
   76   2HH2  ARG  12          1HH1      ARG  12  19.623  -3.900  -2.004
   77    HA   PRO  13           HA       PRO  13  21.203   2.327   4.895
   78   1HB   PRO  13          2HB       PRO  13  20.544   0.388   6.694
   79   2HB   PRO  13          1HB       PRO  13  19.377   0.873   5.452
   80   1HG   PRO  13          2HG       PRO  13  21.480  -1.379   5.253
   81   2HG   PRO  13          1HG       PRO  13  19.725  -1.554   5.111
   82   1HD   PRO  13          2HD       PRO  13  21.167  -1.239   2.889
   83   2HD   PRO  13          1HD       PRO  13  19.686  -0.266   3.027
   84    H    ARG  14           H        ARG  14  22.210   2.025   7.216
   85    HA   ARG  14           HA       ARG  14  24.188   2.150   8.368
   86   1HB   ARG  14          2HB       ARG  14  24.251  -0.613   7.085
   87   2HB   ARG  14          1HB       ARG  14  25.511  -0.079   8.155
   88   1HG   ARG  14          2HG       ARG  14  23.785   0.350   9.941
   89   2HG   ARG  14          1HG       ARG  14  22.557  -0.261   8.843
   90   1HD   ARG  14          2HD       ARG  14  23.395  -2.023  10.464
   91   2HD   ARG  14          1HD       ARG  14  23.623  -2.472   8.780
   92    HE   ARG  14           HE       ARG  14  25.895  -2.627   9.306
   93   1HH1  ARG  14          2HH1      ARG  14  27.002  -0.198   9.156
   94   2HH1  ARG  14          1HH1      ARG  14  27.376   0.334  10.750
   95   1HH2  ARG  14          1HH2      ARG  14  25.161  -1.993  12.198
   96   2HH2  ARG  14          2HH2      ARG  14  26.289  -0.739  12.573
   97    H    GLY  15           H        GLY  15  24.219   2.988   5.546
   98   1HA   GLY  15          2HA       GLY  15  27.173   2.853   4.997
   99   2HA   GLY  15          1HA       GLY  15  25.950   3.295   3.797
  100    H    ASN  16           H        ASN  16  24.985   4.644   6.514
  101    HA   ASN  16           HA       ASN  16  25.591   7.347   5.767
  102   1HB   ASN  16          2HB       ASN  16  24.614   6.508   8.546
  103   2HB   ASN  16          1HB       ASN  16  24.260   7.976   7.663
  104   1HD2  ASN  16          2HD2      ASN  16  21.245   6.499   6.604
  105   2HD2  ASN  16          1HD2      ASN  16  21.995   7.880   7.250
  106    H    THR  17           H        THR  17  26.602   5.403   8.540
  107    HA   THR  17           HA       THR  17  28.684   7.384   9.250
  108    HB   THR  17           HB       THR  17  28.067   4.704  10.612
  109    HG1  THR  17           HG1      THR  17  26.600   6.996  10.187
  110   1HG2  THR  17          1HG2      THR  17  28.828   7.466  11.741
  111   2HG2  THR  17          3HG2      THR  17  28.682   5.969  12.643
  112   3HG2  THR  17          2HG2      THR  17  29.996   6.174  11.500
  113    H    LEU  18           H        LEU  18  29.301   6.724   6.977
  114    HA   LEU  18           HA       LEU  18  31.085   6.074   5.649
  115   1HB   LEU  18          2HB       LEU  18  32.163   4.759   8.223
  116   2HB   LEU  18          1HB       LEU  18  32.947   4.616   6.684
  117    HG   LEU  18           HG       LEU  18  33.124   7.073   6.518
  118   1HD1  LEU  18          3HD1      LEU  18  32.141   7.116   9.378
  119   2HD1  LEU  18          2HD1      LEU  18  32.849   8.477   8.524
  120   3HD1  LEU  18          1HD1      LEU  18  31.320   7.817   7.988
  121   1HD2  LEU  18          2HD2      LEU  18  34.368   5.811   9.003
  122   2HD2  LEU  18          1HD2      LEU  18  35.006   5.715   7.375
  123   3HD2  LEU  18          3HD2      LEU  18  34.984   7.253   8.212
  124    H    SER  19           H        SER  19  30.852   4.598   4.150
  125    HA   SER  19           HA       SER  19  29.458   2.061   4.799
  126   1HB   SER  19          2HB       SER  19  28.643   3.378   2.804
  127   2HB   SER  19          1HB       SER  19  30.255   3.217   2.076
  128    HG   SER  19           HG       SER  19  29.699   0.808   2.729
  129    H    GLY  20           H        GLY  20  32.641   3.177   4.218
  130   1HA   GLY  20          2HA       GLY  20  33.900   0.736   4.780
  131   2HA   GLY  20          1HA       GLY  20  33.783   0.871   3.010
  132    H    ILE  21           H        ILE  21  36.202   0.898   3.457
  133    HA   ILE  21           HA       ILE  21  37.136   3.740   3.550
  134    HB   ILE  21           HB       ILE  21  37.976   1.452   5.276
  135   1HG1  ILE  21          2HG1      ILE  21  38.822   3.417   6.764
  136   2HG1  ILE  21          1HG1      ILE  21  38.025   4.453   5.612
  137   1HG2  ILE  21          1HG2      ILE  21  40.148   3.251   4.154
  138   2HG2  ILE  21          3HG2      ILE  21  40.348   2.152   5.509
  139   3HG2  ILE  21          2HG2      ILE  21  40.017   1.518   3.917
  140   1HD1  ILE  21          3HD1      ILE  21  36.638   2.231   7.161
  141   2HD1  ILE  21          2HD1      ILE  21  36.559   3.947   7.536
  142   3HD1  ILE  21          1HD1      ILE  21  35.878   3.354   6.045
  143    H    LEU  22           H        LEU  22  38.984   4.120   2.297
  144    HA   LEU  22           HA       LEU  22  39.110   2.523  -0.104
  145   1HB   LEU  22          2HB       LEU  22  40.627   4.255  -0.902
  146   2HB   LEU  22          1HB       LEU  22  39.411   5.031   0.084
  147    HG   LEU  22           HG       LEU  22  41.216   4.614   2.043
  148   1HD1  LEU  22          3HD1      LEU  22  42.912   4.840  -0.481
  149   2HD1  LEU  22          2HD1      LEU  22  43.525   4.942   1.163
  150   3HD1  LEU  22          1HD1      LEU  22  42.860   3.443   0.572
  151   1HD2  LEU  22          2HD2      LEU  22  41.401   6.857  -0.020
  152   2HD2  LEU  22          1HD2      LEU  22  40.294   6.777   1.333
  153   3HD2  LEU  22          3HD2      LEU  22  42.023   6.939   1.626
  154    H    TRP  23           H        TRP  23  40.831   1.153  -0.926
  155    HA   TRP  23           HA       TRP  23  42.853   0.528   1.100
  156   1HB   TRP  23          2HB       TRP  23  40.949  -1.374  -0.207
  157   2HB   TRP  23          1HB       TRP  23  42.572  -1.948   0.057
  158    HD1  TRP  23           HD1      TRP  23  39.502  -1.110   2.182
  159    HE1  TRP  23           HE1      TRP  23  40.143  -1.250   4.613
  160    HE3  TRP  23           HE3      TRP  23  44.404  -1.466   1.545
  161    HZ2  TRP  23           HZ2      TRP  23  42.472  -1.411   6.095
  162    HZ3  TRP  23           HZ3      TRP  23  45.941  -1.551   3.454
  163    HH2  TRP  23           HH2      TRP  23  44.965  -1.551   5.795
  164    H    PHE  24           H        PHE  24  44.593   0.290   0.791
  165    HA   PHE  24           HA       PHE  24  45.834   0.572  -1.818
  166   1HB   PHE  24          2HB       PHE  24  46.432   1.147   1.054
  167   2HB   PHE  24          1HB       PHE  24  47.848   0.612   0.238
  168    HD1  PHE  24           HD1      PHE  24  44.894   2.901  -0.164
  169    HD2  PHE  24           HD2      PHE  24  49.037   2.341  -0.979
  170    HE1  PHE  24           HE1      PHE  24  45.015   5.168  -1.100
  171    HE2  PHE  24           HE2      PHE  24  49.158   4.607  -1.911
  172    HZ   PHE  24           HZ       PHE  24  47.138   6.024  -1.972
  173    H    TYR  25           H        TYR  25  44.835  -1.846  -1.839
  174    HA   TYR  25           HA       TYR  25  47.194  -3.574  -1.398
  175   1HB   TYR  25          2HB       TYR  25  44.306  -4.099  -0.835
  176   2HB   TYR  25          1HB       TYR  25  45.148  -5.380  -1.654
  177    HD1  TYR  25           HD2      TYR  25  45.981  -2.991   1.158
  178    HD2  TYR  25           HD1      TYR  25  46.069  -6.961  -0.353
  179    HE1  TYR  25           HE2      TYR  25  47.065  -3.748   3.225
  180    HE2  TYR  25           HE1      TYR  25  47.152  -7.723   1.706
  181    HH   TYR  25           HH       TYR  25  48.356  -6.940   3.593
  182    HA   PRO  26           HA       PRO  26  46.861  -4.256  -5.777
  183   1HB   PRO  26          2HB       PRO  26  48.779  -6.123  -6.092
  184   2HB   PRO  26          1HB       PRO  26  49.221  -4.503  -5.525
  185   1HG   PRO  26          2HG       PRO  26  48.586  -6.970  -3.783
  186   2HG   PRO  26          1HG       PRO  26  50.040  -5.975  -3.749
  187   1HD   PRO  26          2HD       PRO  26  47.947  -5.385  -2.033
  188   2HD   PRO  26          1HD       PRO  26  48.850  -4.046  -2.756
  189    H    SER  27           H        SER  27  46.465  -6.825  -3.435
  190    HA   SER  27           HA       SER  27  45.164  -8.598  -5.393
  191   1HB   SER  27          2HB       SER  27  44.998 -10.053  -3.244
  192   2HB   SER  27          1HB       SER  27  46.648  -9.651  -3.756
  193    HG   SER  27           HG       SER  27  45.242  -8.825  -1.578
  194    H    GLY  28           H        GLY  28  43.956  -6.059  -4.853
  195   1HA   GLY  28          2HA       GLY  28  41.705  -5.316  -4.676
  196   2HA   GLY  28          1HA       GLY  28  41.235  -6.990  -4.321
  197    H    CYS  29           H        CYS  29  39.921  -6.043  -2.491
  198    HA   CYS  29           HA       CYS  29  40.952  -4.524  -0.422
  199   1HB   CYS  29          2HB       CYS  29  39.056  -6.822   0.028
  200   2HB   CYS  29          1HB       CYS  29  39.155  -5.278   0.827
  201    HA   PRO  30           HA       PRO  30  43.514  -7.367   1.860
  202   1HB   PRO  30          2HB       PRO  30  43.850  -6.092   4.185
  203   2HB   PRO  30          1HB       PRO  30  44.423  -5.316   2.696
  204   1HG   PRO  30          2HG       PRO  30  41.664  -5.085   3.934
  205   2HG   PRO  30          1HG       PRO  30  42.781  -3.770   3.781
  206   1HD   PRO  30          2HD       PRO  30  40.918  -4.218   1.879
  207   2HD   PRO  30          1HD       PRO  30  42.559  -3.884   1.305
  208    H    SER  31           H        SER  31  43.477  -8.735   3.654
  209    HA   SER  31           HA       SER  31  41.217 -10.250   3.986
  210   1HB   SER  31          2HB       SER  31  43.603 -10.926   4.698
  211   2HB   SER  31          1HB       SER  31  43.352  -9.941   6.152
  212    HG   SER  31           HG       SER  31  42.433 -12.392   5.641
  213    H    GLY  32           H        GLY  32  39.560 -10.091   5.042
  214   1HA   GLY  32          2HA       GLY  32  38.099  -9.615   6.980
  215   2HA   GLY  32          1HA       GLY  32  39.214  -8.333   7.442
  216    H    TRP  33           H        TRP  33  38.935  -7.904   4.257
  217    HA   TRP  33           HA       TRP  33  36.652  -6.057   4.561
  218   1HB   TRP  33          2HB       TRP  33  39.076  -5.953   2.725
  219   2HB   TRP  33          1HB       TRP  33  37.812  -4.756   2.734
  220    HD1  TRP  33           HD1      TRP  33  40.387  -6.218   5.306
  221    HE1  TRP  33           HE1      TRP  33  40.971  -4.450   6.959
  222    HE3  TRP  33           HE3      TRP  33  37.339  -2.658   3.548
  223    HZ2  TRP  33           HZ2      TRP  33  40.250  -1.819   7.450
  224    HZ3  TRP  33           HZ3      TRP  33  37.306  -0.464   4.609
  225    HH2  TRP  33           HH2      TRP  33  38.786  -0.029   6.597
  226    H    HIS  34           H        HIS  34  35.456  -5.774   2.476
  227    HA   HIS  34           HA       HIS  34  35.715  -8.172   0.695
  228   1HB   HIS  34          2HB       HIS  34  34.295  -8.609   2.749
  229   2HB   HIS  34          1HB       HIS  34  33.137  -7.453   2.121
  230    HD1  HIS  34           HD1      HIS  34  32.483  -8.197  -0.537
  231    HD2  HIS  34           HD2      HIS  34  33.716 -11.094   2.158
  232    HE1  HIS  34           HE1      HIS  34  31.693 -10.461  -1.346
  233    H    ASN  35           H        ASN  35  36.181  -5.420   0.223
  234    HA   ASN  35           HA       ASN  35  35.929  -3.828  -1.433
  235   1HB   ASN  35          2HB       ASN  35  35.998  -5.810  -2.956
  236   2HB   ASN  35          1HB       ASN  35  34.249  -5.969  -2.809
  237   1HD2  ASN  35          2HD2      ASN  35  35.691  -2.757  -4.894
  238   2HD2  ASN  35          1HD2      ASN  35  36.707  -3.477  -3.735
  239    H    CYS  36           H        CYS  36  34.717  -2.138  -2.043
  240    HA   CYS  36           HA       CYS  36  31.869  -2.077  -1.223
  241   1HB   CYS  36          2HB       CYS  36  32.318  -0.180  -0.025
  242   2HB   CYS  36          1HB       CYS  36  33.874  -0.892   0.133
  243    H    LYS  37           H        LYS  37  34.276  -0.151  -2.893
  244    HA   LYS  37           HA       LYS  37  32.308   0.413  -5.050
  245   1HB   LYS  37          2HB       LYS  37  33.704   2.281  -4.110
  246   2HB   LYS  37          1HB       LYS  37  35.151   1.492  -4.690
  247   1HG   LYS  37          2HG       LYS  37  34.440   1.720  -7.015
  248   2HG   LYS  37          1HG       LYS  37  32.831   2.208  -6.544
  249   1HD   LYS  37          2HD       LYS  37  35.368   3.862  -6.101
  250   2HD   LYS  37          1HD       LYS  37  34.193   4.130  -7.373
  251   1HE   LYS  37          2HE       LYS  37  32.450   4.328  -5.466
  252   2HE   LYS  37          1HE       LYS  37  33.815   4.497  -4.374
  253   1HZ   LYS  37          2HZ       LYS  37  34.080   6.269  -6.576
  254   2HZ   LYS  37          1HZ       LYS  37  32.553   6.423  -5.831
  255   3HZ   LYS  37          3HZ       LYS  37  33.965   6.619  -4.913
  256    H    ALA  38           H        ALA  38  32.107  -1.264  -6.253
  257    HA   ALA  38           HA       ALA  38  34.303  -3.019  -7.077
  258   1HB   ALA  38          3HB       ALA  38  31.975  -3.891  -6.743
  259   2HB   ALA  38          2HB       ALA  38  31.416  -2.848  -8.048
  260   3HB   ALA  38          1HB       ALA  38  32.519  -4.168  -8.394
  261    H    HIS  39           H        HIS  39  34.231  -0.112  -7.706
  262    HA   HIS  39           HA       HIS  39  34.738  -0.251 -10.639
  263   1HB   HIS  39          2HB       HIS  39  33.551   2.204  -9.263
  264   2HB   HIS  39          1HB       HIS  39  33.523   1.837 -10.975
  265    HD1  HIS  39           HD1      HIS  39  32.432  -1.124 -10.449
  266    HD2  HIS  39           HD2      HIS  39  30.929   2.441  -8.923
  267    HE1  HIS  39           HE1      HIS  39  30.059  -1.440  -9.816
  268    H    GLY  40           H        GLY  40  36.190  -0.320  -7.962
  269   1HA   GLY  40          2HA       GLY  40  38.587   0.194  -7.881
  270   2HA   GLY  40          1HA       GLY  40  38.233   1.744  -8.625
  271    HA   PRO  41           HA       PRO  41  38.344   3.790  -8.169
  272   1HB   PRO  41          2HB       PRO  41  39.773   5.691  -6.909
  273   2HB   PRO  41          1HB       PRO  41  38.036   5.570  -6.642
  274   1HG   PRO  41          2HG       PRO  41  40.222   4.171  -4.977
  275   2HG   PRO  41          1HG       PRO  41  39.011   5.288  -4.352
  276   1HD   PRO  41          2HD       PRO  41  38.441   2.761  -4.214
  277   2HD   PRO  41          1HD       PRO  41  37.186   3.853  -4.813
  278    H    ASN  42           H        ASN  42  40.977   4.935  -8.386
  279    HA   ASN  42           HA       ASN  42  42.578   2.511  -8.823
  280   1HB   ASN  42          2HB       ASN  42  42.313   4.156 -10.763
  281   2HB   ASN  42          1HB       ASN  42  42.928   5.433  -9.724
  282   1HD2  ASN  42          2HD2      ASN  42  45.608   2.664 -11.056
  283   2HD2  ASN  42          1HD2      ASN  42  43.986   2.180 -10.955
  284    H    ILE  43           H        ILE  43  42.064   5.095  -6.885
  285    HA   ILE  43           HA       ILE  43  44.687   5.067  -5.940
  286    HB   ILE  43           HB       ILE  43  43.852   6.926  -4.289
  287   1HG1  ILE  43          2HG1      ILE  43  41.266   6.593  -5.878
  288   2HG1  ILE  43          1HG1      ILE  43  41.481   6.071  -4.216
  289   1HG2  ILE  43          2HG2      ILE  43  44.880   7.472  -6.487
  290   2HG2  ILE  43          1HG2      ILE  43  43.335   7.303  -7.292
  291   3HG2  ILE  43          3HG2      ILE  43  43.598   8.604  -6.145
  292   1HD1  ILE  43          1HD1      ILE  43  41.975   8.421  -3.563
  293   2HD1  ILE  43          3HD1      ILE  43  41.730   8.943  -5.219
  294   3HD1  ILE  43          2HD1      ILE  43  40.390   8.281  -4.307
  295    H    GLY  44           H        GLY  44  43.176   2.887  -5.661
  296   1HA   GLY  44          2HA       GLY  44  43.653   1.148  -3.962
  297   2HA   GLY  44          1HA       GLY  44  43.182   2.288  -2.715
  298    H    TRP  45           H        TRP  45  42.194  -0.358  -3.877
  299    HA   TRP  45           HA       TRP  45  39.537  -0.070  -4.937
  300   1HB   TRP  45          2HB       TRP  45  40.181  -2.224  -2.873
  301   2HB   TRP  45          1HB       TRP  45  39.078  -2.333  -4.224
  302    HD1  TRP  45           HD1      TRP  45  42.871  -2.213  -3.483
  303    HE1  TRP  45           HE1      TRP  45  44.121  -3.305  -5.318
  304    HE3  TRP  45           HE3      TRP  45  38.977  -3.018  -6.611
  305    HZ2  TRP  45           HZ2      TRP  45  43.577  -4.403  -7.800
  306    HZ3  TRP  45           HZ3      TRP  45  39.415  -4.130  -8.773
  307    HH2  TRP  45           HH2      TRP  45  41.708  -4.819  -9.363
  308    H    CYS  46           H        CYS  46  37.544   0.759  -3.823
  309    HA   CYS  46           HA       CYS  46  38.061   1.365  -0.986
  310   1HB   CYS  46          2HB       CYS  46  37.005   2.984  -2.710
  311   2HB   CYS  46          1HB       CYS  46  35.679   1.869  -2.736
  312    H    CYS  47           H        CYS  47  37.421   0.169   0.427
  313    HA   CYS  47           HA       CYS  47  35.501  -1.977  -0.178
  314   1HB   CYS  47          2HB       CYS  47  38.165  -2.082   1.157
  315   2HB   CYS  47          1HB       CYS  47  37.094  -3.402   1.209
  316    H    LYS  48           H        LYS  48  35.296  -3.272   2.072
  317    HA   LYS  48           HA       LYS  48  35.107  -1.363   4.205
  318   1HB   LYS  48          2HB       LYS  48  32.871  -1.362   4.566
  319   2HB   LYS  48          1HB       LYS  48  32.965  -1.187   2.834
  320   1HG   LYS  48          2HG       LYS  48  32.296  -3.683   4.390
  321   2HG   LYS  48          1HG       LYS  48  31.288  -2.684   3.382
  322   1HD   LYS  48          2HD       LYS  48  33.092  -3.090   1.595
  323   2HD   LYS  48          1HD       LYS  48  33.664  -4.351   2.611
  324   1HE   LYS  48          2HE       LYS  48  30.868  -4.328   1.365
  325   2HE   LYS  48          1HE       LYS  48  32.131  -5.511   1.069
  326   1HZ   LYS  48          3HZ       LYS  48  31.642  -5.439   3.813
  327   2HZ   LYS  48          2HZ       LYS  48  30.156  -5.554   3.007
  328   3HZ   LYS  48          1HZ       LYS  48  31.365  -6.718   2.721
  329    H    LYS  49           H        LYS  49  34.170  -2.424   6.009
  330    HA   LYS  49           HA       LYS  49  35.337  -5.180   6.301
  331   1HB   LYS  49          2HB       LYS  49  34.601  -3.113   8.418
  332   2HB   LYS  49          1HB       LYS  49  35.244  -4.707   8.756
  333   1HG   LYS  49          2HG       LYS  49  37.249  -4.113   7.278
  334   2HG   LYS  49          1HG       LYS  49  36.603  -2.488   7.158
  335   1HD   LYS  49          2HD       LYS  49  38.274  -2.452   8.903
  336   2HD   LYS  49          1HD       LYS  49  36.714  -2.328   9.690
  337   1HE   LYS  49          2HE       LYS  49  36.767  -4.741  10.250
  338   2HE   LYS  49          1HE       LYS  49  38.272  -4.932   9.361
  339   1HZ   LYS  49          2HZ       LYS  49  38.586  -2.840  11.193
  340   2HZ   LYS  49          1HZ       LYS  49  37.905  -4.163  12.010
  341   3HZ   LYS  49          3HZ       LYS  49  39.360  -4.354  11.153
   
  No H/Q in entry =         341
  Start of MODEL    7
    1   1H    GLY   1          3H        GLY   1  40.669   5.483   7.773
    2   2H    GLY   1          2H        GLY   1  41.507   4.034   7.469
    3   3H    GLY   1          1H        GLY   1  42.347   5.405   8.023
    4   1HA   GLY   1          2HA       GLY   1  42.692   6.079   5.942
    5   2HA   GLY   1          1HA       GLY   1  41.821   4.657   5.368
    6    H    VAL   2           H        VAL   2  41.040   6.185   3.677
    7    HA   VAL   2           HA       VAL   2  39.018   8.119   4.638
    8    HB   VAL   2           HB       VAL   2  40.035   7.633   1.814
    9   1HG1  VAL   2          2HG1      VAL   2  37.822   8.805   1.919
   10   2HG1  VAL   2          1HG1      VAL   2  38.507   9.994   3.012
   11   3HG1  VAL   2          3HG1      VAL   2  39.073   9.894   1.358
   12   1HG2  VAL   2          3HG2      VAL   2  40.916   9.720   3.882
   13   2HG2  VAL   2          2HG2      VAL   2  41.894   8.378   3.316
   14   3HG2  VAL   2          1HG2      VAL   2  41.462   9.666   2.213
   15    HA   PRO   3           HA       PRO   3  35.901   5.304   2.992
   16   1HB   PRO   3          2HB       PRO   3  33.716   6.363   4.035
   17   2HB   PRO   3          1HB       PRO   3  34.861   5.580   5.138
   18   1HG   PRO   3          2HG       PRO   3  34.704   8.566   4.412
   19   2HG   PRO   3          1HG       PRO   3  34.735   7.854   6.031
   20   1HD   PRO   3          2HD       PRO   3  37.012   8.733   4.845
   21   2HD   PRO   3          1HD       PRO   3  37.039   7.329   5.933
   22    H    CYS   4           H        CYS   4  34.830   5.373   1.145
   23    HA   CYS   4           HA       CYS   4  34.525   8.069  -0.178
   24   1HB   CYS   4          2HB       CYS   4  35.134   7.063  -2.223
   25   2HB   CYS   4          1HB       CYS   4  36.057   6.105  -1.097
   26    H    LEU   5           H        LEU   5  32.812   7.005  -2.255
   27    HA   LEU   5           HA       LEU   5  30.276   6.418  -0.756
   28   1HB   LEU   5          2HB       LEU   5  30.560   8.771  -1.929
   29   2HB   LEU   5          1HB       LEU   5  30.525   7.895  -3.438
   30    HG   LEU   5           HG       LEU   5  28.306   7.957  -1.349
   31   1HD1  LEU   5          3HD1      LEU   5  28.486   9.106  -4.174
   32   2HD1  LEU   5          2HD1      LEU   5  27.058   9.153  -3.157
   33   3HD1  LEU   5          1HD1      LEU   5  28.496  10.040  -2.683
   34   1HD2  LEU   5          3HD2      LEU   5  28.330   6.532  -4.053
   35   2HD2  LEU   5          2HD2      LEU   5  28.273   5.754  -2.477
   36   3HD2  LEU   5          1HD2      LEU   5  26.933   6.731  -3.008
   37    H    CYS   6           H        CYS   6  30.345   4.121  -1.123
   38    HA   CYS   6           HA       CYS   6  31.348   3.151  -3.614
   39   1HB   CYS   6          2HB       CYS   6  29.947   1.282  -1.670
   40   2HB   CYS   6          1HB       CYS   6  31.332   1.100  -2.647
   41    H    ASP   7           H        ASP   7  30.149   1.121  -4.305
   42    HA   ASP   7           HA       ASP   7  27.921   2.107  -5.887
   43   1HB   ASP   7          2HB       ASP   7  29.537   0.545  -6.880
   44   2HB   ASP   7          1HB       ASP   7  29.186  -0.676  -5.671
   45    H    SER   8           H        SER   8  28.165  -0.706  -3.727
   46    HA   SER   8           HA       SER   8  25.252  -0.639  -3.275
   47   1HB   SER   8          2HB       SER   8  26.102  -2.764  -1.816
   48   2HB   SER   8          1HB       SER   8  26.055  -2.885  -3.584
   49    HG   SER   8           HG       SER   8  28.226  -2.840  -1.962
   50    H    ASP   9           H        ASP   9  27.281   1.347  -2.337
   51    HA   ASP   9           HA       ASP   9  27.504   1.210   0.532
   52   1HB   ASP   9          2HB       ASP   9  28.997   2.565  -0.677
   53   2HB   ASP   9          1HB       ASP   9  27.826   3.443  -1.589
   54    H    GLY  10           H        GLY  10  25.223   2.319  -1.750
   55   1HA   GLY  10          2HA       GLY  10  22.821   2.392  -1.327
   56   2HA   GLY  10          1HA       GLY  10  23.172   2.720   0.380
   57    HA   PRO  11           HA       PRO  11  24.128   6.720  -2.095
   58   1HB   PRO  11          2HB       PRO  11  22.869   7.217  -4.409
   59   2HB   PRO  11          1HB       PRO  11  24.152   5.984  -4.406
   60   1HG   PRO  11          2HG       PRO  11  21.130   5.527  -3.991
   61   2HG   PRO  11          1HG       PRO  11  22.156   4.793  -5.225
   62   1HD   PRO  11          2HD       PRO  11  21.759   3.462  -2.903
   63   2HD   PRO  11          1HD       PRO  11  23.387   3.478  -3.607
   64    H    ARG  12           H        ARG  12  22.522   6.229  -0.146
   65    HA   ARG  12           HA       ARG  12  20.086   7.932  -0.415
   66   1HB   ARG  12          2HB       ARG  12  20.816   5.669   1.409
   67   2HB   ARG  12          1HB       ARG  12  19.616   6.820   1.947
   68   1HG   ARG  12          2HG       ARG  12  18.413   6.373  -0.314
   69   2HG   ARG  12          1HG       ARG  12  19.500   4.999  -0.487
   70   1HD   ARG  12          2HD       ARG  12  18.746   4.106   1.693
   71   2HD   ARG  12          1HD       ARG  12  17.713   5.509   1.926
   72    HE   ARG  12           HE       ARG  12  16.181   4.656   0.323
   73   1HH1  ARG  12          1HH2      ARG  12  17.902   2.273   1.629
   74   2HH1  ARG  12          2HH2      ARG  12  17.823   1.137   0.326
   75   1HH2  ARG  12          2HH1      ARG  12  16.517   3.562  -1.881
   76   2HH2  ARG  12          1HH1      ARG  12  17.001   1.910  -1.752
   77    HA   PRO  13           HA       PRO  13  21.739  10.968   2.374
   78   1HB   PRO  13          2HB       PRO  13  19.592  11.992   3.602
   79   2HB   PRO  13          1HB       PRO  13  19.748  12.052   1.833
   80   1HG   PRO  13          2HG       PRO  13  18.392   9.830   3.491
   81   2HG   PRO  13          1HG       PRO  13  17.600  10.872   2.306
   82   1HD   PRO  13          2HD       PRO  13  18.559   8.527   1.465
   83   2HD   PRO  13          1HD       PRO  13  18.878   9.954   0.464
   84    H    ARG  14           H        ARG  14  22.344   8.603   3.258
   85    HA   ARG  14           HA       ARG  14  22.726   8.969   6.054
   86   1HB   ARG  14          2HB       ARG  14  21.583   6.711   6.683
   87   2HB   ARG  14          1HB       ARG  14  20.497   8.050   6.402
   88   1HG   ARG  14          2HG       ARG  14  19.648   7.162   4.443
   89   2HG   ARG  14          1HG       ARG  14  21.165   6.455   3.942
   90   1HD   ARG  14          2HD       ARG  14  19.463   5.335   6.207
   91   2HD   ARG  14          1HD       ARG  14  19.433   4.738   4.547
   92    HE   ARG  14           HE       ARG  14  21.932   4.750   6.211
   93   1HH1  ARG  14          2HH1      ARG  14  22.473   4.179   3.508
   94   2HH1  ARG  14          1HH1      ARG  14  22.305   2.469   3.347
   95   1HH2  ARG  14          1HH2      ARG  14  20.451   2.261   6.360
   96   2HH2  ARG  14          2HH2      ARG  14  21.094   1.320   5.063
   97    H    GLY  15           H        GLY  15  24.555   8.325   6.552
   98   1HA   GLY  15          2HA       GLY  15  26.474   6.980   6.763
   99   2HA   GLY  15          1HA       GLY  15  25.633   5.714   5.876
  100    H    ASN  16           H        ASN  16  25.031   7.215   3.679
  101    HA   ASN  16           HA       ASN  16  26.110   6.803   1.525
  102   1HB   ASN  16          2HB       ASN  16  24.836   8.915   1.925
  103   2HB   ASN  16          1HB       ASN  16  26.355   9.739   2.250
  104   1HD2  ASN  16          2HD2      ASN  16  26.491  10.260  -1.270
  105   2HD2  ASN  16          1HD2      ASN  16  26.382  11.055   0.235
  106    H    THR  17           H        THR  17  28.464   8.747   3.459
  107    HA   THR  17           HA       THR  17  30.515   7.719   1.559
  108    HB   THR  17           HB       THR  17  31.755   9.893   2.121
  109    HG1  THR  17           HG1      THR  17  30.875  10.785   3.768
  110   1HG2  THR  17          3HG2      THR  17  30.200   9.758   0.044
  111   2HG2  THR  17          2HG2      THR  17  28.901  10.350   1.059
  112   3HG2  THR  17          1HG2      THR  17  30.299  11.365   0.751
  113    H    LEU  18           H        LEU  18  29.579   6.656   4.064
  114    HA   LEU  18           HA       LEU  18  32.215   6.435   5.456
  115   1HB   LEU  18          2HB       LEU  18  29.853   7.674   6.508
  116   2HB   LEU  18          1HB       LEU  18  30.078   6.184   7.379
  117    HG   LEU  18           HG       LEU  18  31.226   7.942   8.555
  118   1HD1  LEU  18          1HD1      LEU  18  32.398   5.780   8.610
  119   2HD1  LEU  18          3HD1      LEU  18  33.326   6.207   7.188
  120   3HD1  LEU  18          2HD1      LEU  18  33.536   7.111   8.673
  121   1HD2  LEU  18          2HD2      LEU  18  32.721   8.544   5.982
  122   2HD2  LEU  18          1HD2      LEU  18  31.518   9.556   6.741
  123   3HD2  LEU  18          3HD2      LEU  18  33.059   9.283   7.534
  124    H    SER  19           H        SER  19  30.476   4.757   3.571
  125    HA   SER  19           HA       SER  19  29.839   2.421   5.254
  126   1HB   SER  19          2HB       SER  19  29.600   2.626   2.232
  127   2HB   SER  19          1HB       SER  19  28.717   1.556   3.319
  128    HG   SER  19           HG       SER  19  27.499   3.538   2.786
  129    H    GLY  20           H        GLY  20  32.778   3.285   4.409
  130   1HA   GLY  20          2HA       GLY  20  34.002   0.784   4.678
  131   2HA   GLY  20          1HA       GLY  20  33.749   0.974   2.939
  132    H    ILE  21           H        ILE  21  36.271   0.813   3.428
  133    HA   ILE  21           HA       ILE  21  37.299   3.627   3.352
  134    HB   ILE  21           HB       ILE  21  38.664   1.285   4.740
  135   1HG1  ILE  21          2HG1      ILE  21  36.720   2.167   6.077
  136   2HG1  ILE  21          1HG1      ILE  21  38.249   2.419   6.876
  137   1HG2  ILE  21          3HG2      ILE  21  39.542   4.164   4.490
  138   2HG2  ILE  21          2HG2      ILE  21  40.311   2.968   5.524
  139   3HG2  ILE  21          1HG2      ILE  21  40.331   2.766   3.786
  140   1HD1  ILE  21          1HD1      ILE  21  36.810   4.532   5.244
  141   2HD1  ILE  21          3HD1      ILE  21  36.798   4.438   6.993
  142   3HD1  ILE  21          2HD1      ILE  21  38.292   4.799   6.144
  143    H    LEU  22           H        LEU  22  38.939   4.027   1.906
  144    HA   LEU  22           HA       LEU  22  39.186   2.295  -0.381
  145   1HB   LEU  22          2HB       LEU  22  40.892   3.878  -1.188
  146   2HB   LEU  22          1HB       LEU  22  39.502   4.718  -0.577
  147    HG   LEU  22           HG       LEU  22  40.842   5.155   1.595
  148   1HD1  LEU  22          1HD1      LEU  22  43.153   4.262  -0.187
  149   2HD1  LEU  22          3HD1      LEU  22  43.327   5.069   1.360
  150   3HD1  LEU  22          2HD1      LEU  22  42.685   3.461   1.296
  151   1HD2  LEU  22          3HD2      LEU  22  40.552   6.895  -0.211
  152   2HD2  LEU  22          2HD2      LEU  22  42.139   7.038   0.523
  153   3HD2  LEU  22          1HD2      LEU  22  41.963   6.261  -1.040
  154    H    TRP  23           H        TRP  23  41.089   1.087  -1.085
  155    HA   TRP  23           HA       TRP  23  42.960   0.437   1.064
  156   1HB   TRP  23          2HB       TRP  23  41.070  -1.431  -0.290
  157   2HB   TRP  23          1HB       TRP  23  42.676  -2.059  -0.006
  158    HD1  TRP  23           HD1      TRP  23  39.563  -1.232   2.028
  159    HE1  TRP  23           HE1      TRP  23  40.095  -1.369   4.457
  160    HE3  TRP  23           HE3      TRP  23  44.478  -1.523   1.549
  161    HZ2  TRP  23           HZ2      TRP  23  42.422  -1.503   6.038
  162    HZ3  TRP  23           HZ3      TRP  23  45.961  -1.586   3.489
  163    HH2  TRP  23           HH2      TRP  23  44.916  -1.606   5.809
  164    H    PHE  24           H        PHE  24  44.754   0.158   0.817
  165    HA   PHE  24           HA       PHE  24  46.031   0.470  -1.772
  166   1HB   PHE  24          2HB       PHE  24  46.639   0.876   1.134
  167   2HB   PHE  24          1HB       PHE  24  48.032   0.411   0.253
  168    HD1  PHE  24           HD1      PHE  24  45.029   2.699  -0.105
  169    HD2  PHE  24           HD2      PHE  24  49.234   2.253  -0.687
  170    HE1  PHE  24           HE1      PHE  24  45.172   5.019  -0.884
  171    HE2  PHE  24           HE2      PHE  24  49.365   4.577  -1.459
  172    HZ   PHE  24           HZ       PHE  24  47.332   5.965  -1.558
  173    H    TYR  25           H        TYR  25  44.944  -1.875  -1.906
  174    HA   TYR  25           HA       TYR  25  47.199  -3.730  -1.509
  175   1HB   TYR  25          2HB       TYR  25  44.341  -4.077  -0.784
  176   2HB   TYR  25          1HB       TYR  25  45.032  -5.440  -1.622
  177    HD1  TYR  25           HD2      TYR  25  45.954  -3.058   1.139
  178    HD2  TYR  25           HD1      TYR  25  46.213  -7.005  -0.415
  179    HE1  TYR  25           HE2      TYR  25  47.125  -3.762   3.167
  180    HE2  TYR  25           HE1      TYR  25  47.395  -7.715   1.628
  181    HH   TYR  25           HH       TYR  25  48.759  -5.627   3.819
  182    HA   PRO  26           HA       PRO  26  46.872  -4.328  -5.870
  183   1HB   PRO  26          2HB       PRO  26  48.756  -6.260  -6.188
  184   2HB   PRO  26          1HB       PRO  26  49.237  -4.656  -5.600
  185   1HG   PRO  26          2HG       PRO  26  48.454  -7.115  -3.901
  186   2HG   PRO  26          1HG       PRO  26  49.961  -6.203  -3.825
  187   1HD   PRO  26          2HD       PRO  26  47.923  -5.524  -2.135
  188   2HD   PRO  26          1HD       PRO  26  48.848  -4.211  -2.886
  189    H    SER  27           H        SER  27  46.188  -6.803  -3.585
  190    HA   SER  27           HA       SER  27  44.969  -8.564  -5.618
  191   1HB   SER  27          2HB       SER  27  44.660  -9.975  -3.414
  192   2HB   SER  27          1HB       SER  27  46.324  -9.730  -3.974
  193    HG   SER  27           HG       SER  27  45.107  -8.788  -1.764
  194    H    GLY  28           H        GLY  28  43.947  -5.891  -4.688
  195   1HA   GLY  28          2HA       GLY  28  41.680  -5.081  -4.751
  196   2HA   GLY  28          1HA       GLY  28  41.112  -6.719  -4.403
  197    H    CYS  29           H        CYS  29  39.963  -6.368  -2.454
  198    HA   CYS  29           HA       CYS  29  40.885  -4.586  -0.437
  199   1HB   CYS  29          2HB       CYS  29  39.019  -6.939  -0.070
  200   2HB   CYS  29          1HB       CYS  29  39.103  -5.449   0.820
  201    HA   PRO  30           HA       PRO  30  43.506  -7.471   1.758
  202   1HB   PRO  30          2HB       PRO  30  43.973  -6.205   4.054
  203   2HB   PRO  30          1HB       PRO  30  44.481  -5.441   2.537
  204   1HG   PRO  30          2HG       PRO  30  41.804  -5.153   3.938
  205   2HG   PRO  30          1HG       PRO  30  42.928  -3.855   3.684
  206   1HD   PRO  30          2HD       PRO  30  40.931  -4.313   1.906
  207   2HD   PRO  30          1HD       PRO  30  42.542  -3.961   1.242
  208    H    SER  31           H        SER  31  43.531  -8.835   3.545
  209    HA   SER  31           HA       SER  31  41.272 -10.325   3.984
  210   1HB   SER  31          2HB       SER  31  43.617 -11.083   4.657
  211   2HB   SER  31          1HB       SER  31  43.501  -9.998   6.056
  212    HG   SER  31           HG       SER  31  42.252 -11.462   6.961
  213    H    GLY  32           H        GLY  32  39.647 -10.116   5.067
  214   1HA   GLY  32          2HA       GLY  32  38.279  -9.602   7.067
  215   2HA   GLY  32          1HA       GLY  32  39.401  -8.299   7.446
  216    H    TRP  33           H        TRP  33  39.048  -7.916   4.280
  217    HA   TRP  33           HA       TRP  33  36.730  -6.130   4.616
  218   1HB   TRP  33          2HB       TRP  33  39.117  -6.005   2.726
  219   2HB   TRP  33          1HB       TRP  33  37.821  -4.836   2.720
  220    HD1  TRP  33           HD1      TRP  33  40.472  -6.201   5.262
  221    HE1  TRP  33           HE1      TRP  33  41.046  -4.381   6.884
  222    HE3  TRP  33           HE3      TRP  33  37.336  -2.685   3.522
  223    HZ2  TRP  33           HZ2      TRP  33  40.306  -1.777   7.362
  224    HZ3  TRP  33           HZ3      TRP  33  37.297  -0.483   4.573
  225    HH2  TRP  33           HH2      TRP  33  38.807  -0.015   6.530
  226    H    HIS  34           H        HIS  34  35.453  -5.892   2.595
  227    HA   HIS  34           HA       HIS  34  35.645  -8.285   0.807
  228   1HB   HIS  34          2HB       HIS  34  34.325  -8.875   2.796
  229   2HB   HIS  34          1HB       HIS  34  33.234  -7.538   2.502
  230    HD1  HIS  34           HD1      HIS  34  34.267 -10.816   1.010
  231    HD2  HIS  34           HD2      HIS  34  31.199  -8.019   0.744
  232    HE1  HIS  34           HE1      HIS  34  32.424 -11.758  -0.400
  233    H    ASN  35           H        ASN  35  36.026  -5.493   0.431
  234    HA   ASN  35           HA       ASN  35  35.757  -3.852  -1.169
  235   1HB   ASN  35          2HB       ASN  35  35.907  -5.727  -2.782
  236   2HB   ASN  35          1HB       ASN  35  34.166  -5.952  -2.661
  237   1HD2  ASN  35          2HD2      ASN  35  35.318  -2.395  -4.371
  238   2HD2  ASN  35          1HD2      ASN  35  36.192  -2.910  -3.016
  239    H    CYS  36           H        CYS  36  34.498  -2.218  -1.817
  240    HA   CYS  36           HA       CYS  36  31.675  -2.218  -0.896
  241   1HB   CYS  36          2HB       CYS  36  32.163  -0.265   0.213
  242   2HB   CYS  36          1HB       CYS  36  33.769  -0.865   0.189
  243    H    LYS  37           H        LYS  37  33.993  -0.873  -3.183
  244    HA   LYS  37           HA       LYS  37  31.771  -0.816  -5.221
  245   1HB   LYS  37          2HB       LYS  37  32.317   1.523  -4.361
  246   2HB   LYS  37          1HB       LYS  37  33.928   1.333  -5.012
  247   1HG   LYS  37          2HG       LYS  37  33.213   1.481  -7.213
  248   2HG   LYS  37          1HG       LYS  37  31.693   0.675  -6.920
  249   1HD   LYS  37          2HD       LYS  37  31.131   2.938  -7.450
  250   2HD   LYS  37          1HD       LYS  37  30.923   2.828  -5.727
  251   1HE   LYS  37          2HE       LYS  37  32.108   4.857  -6.040
  252   2HE   LYS  37          1HE       LYS  37  33.364   3.728  -5.554
  253   1HZ   LYS  37          3HZ       LYS  37  32.994   3.554  -8.324
  254   2HZ   LYS  37          2HZ       LYS  37  33.188   5.188  -7.908
  255   3HZ   LYS  37          1HZ       LYS  37  34.368   4.028  -7.498
  256    H    ALA  38           H        ALA  38  32.273  -1.998  -6.899
  257    HA   ALA  38           HA       ALA  38  35.035  -2.978  -7.291
  258   1HB   ALA  38          1HB       ALA  38  32.451  -3.590  -8.777
  259   2HB   ALA  38          3HB       ALA  38  33.976  -4.436  -8.984
  260   3HB   ALA  38          2HB       ALA  38  33.113  -4.553  -7.452
  261    H    HIS  39           H        HIS  39  34.071  -0.170  -7.756
  262    HA   HIS  39           HA       HIS  39  35.159   0.091 -10.535
  263   1HB   HIS  39          2HB       HIS  39  32.861   1.740  -9.394
  264   2HB   HIS  39          1HB       HIS  39  33.398   1.723 -11.071
  265    HD1  HIS  39           HD1      HIS  39  33.589  -1.351 -11.408
  266    HD2  HIS  39           HD2      HIS  39  30.506   0.638  -9.416
  267    HE1  HIS  39           HE1      HIS  39  31.597  -2.784 -11.346
  268    H    GLY  40           H        GLY  40  37.061   0.312  -9.289
  269   1HA   GLY  40          2HA       GLY  40  38.844   1.674  -8.589
  270   2HA   GLY  40          1HA       GLY  40  37.827   3.065  -8.977
  271    HA   PRO  41           HA       PRO  41  38.777   4.635  -8.009
  272   1HB   PRO  41          2HB       PRO  41  40.220   6.059  -6.203
  273   2HB   PRO  41          1HB       PRO  41  38.454   6.192  -6.214
  274   1HG   PRO  41          2HG       PRO  41  40.174   4.300  -4.561
  275   2HG   PRO  41          1HG       PRO  41  38.972   5.410  -3.930
  276   1HD   PRO  41          2HD       PRO  41  38.230   2.904  -4.346
  277   2HD   PRO  41          1HD       PRO  41  37.106   4.198  -4.812
  278    H    ASN  42           H        ASN  42  41.359   5.094  -8.280
  279    HA   ASN  42           HA       ASN  42  42.613   2.428  -8.248
  280   1HB   ASN  42          2HB       ASN  42  43.647   5.041  -9.510
  281   2HB   ASN  42          1HB       ASN  42  44.164   3.413  -9.898
  282   1HD2  ASN  42          1HD2      ASN  42  42.064   1.961 -10.626
  283   2HD2  ASN  42          2HD2      ASN  42  41.089   2.771 -11.758
  284    H    ILE  43           H        ILE  43  42.254   5.164  -6.534
  285    HA   ILE  43           HA       ILE  43  44.887   5.065  -5.583
  286    HB   ILE  43           HB       ILE  43  42.637   6.882  -4.478
  287   1HG1  ILE  43          2HG1      ILE  43  44.601   7.421  -6.800
  288   2HG1  ILE  43          1HG1      ILE  43  42.896   7.107  -7.023
  289   1HG2  ILE  43          3HG2      ILE  43  44.814   6.810  -3.162
  290   2HG2  ILE  43          2HG2      ILE  43  45.684   7.304  -4.597
  291   3HG2  ILE  43          1HG2      ILE  43  44.532   8.388  -3.843
  292   1HD1  ILE  43          1HD1      ILE  43  42.322   9.156  -5.738
  293   2HD1  ILE  43          3HD1      ILE  43  44.029   9.518  -5.540
  294   3HD1  ILE  43          2HD1      ILE  43  43.317   9.516  -7.134
  295    H    GLY  44           H        GLY  44  43.231   2.969  -5.261
  296   1HA   GLY  44          2HA       GLY  44  43.545   1.303  -3.552
  297   2HA   GLY  44          1HA       GLY  44  43.123   2.455  -2.301
  298    H    TRP  45           H        TRP  45  42.067  -0.174  -3.231
  299    HA   TRP  45           HA       TRP  45  39.463   0.147  -4.387
  300   1HB   TRP  45          2HB       TRP  45  40.169  -2.048  -2.398
  301   2HB   TRP  45          1HB       TRP  45  38.986  -2.108  -3.688
  302    HD1  TRP  45           HD1      TRP  45  42.810  -2.047  -3.151
  303    HE1  TRP  45           HE1      TRP  45  43.949  -2.941  -5.135
  304    HE3  TRP  45           HE3      TRP  45  38.761  -2.490  -6.167
  305    HZ2  TRP  45           HZ2      TRP  45  43.302  -3.751  -7.681
  306    HZ3  TRP  45           HZ3      TRP  45  39.101  -3.364  -8.458
  307    HH2  TRP  45           HH2      TRP  45  41.369  -3.997  -9.219
  308    H    CYS  46           H        CYS  46  37.480   0.894  -3.495
  309    HA   CYS  46           HA       CYS  46  37.533   1.571  -0.618
  310   1HB   CYS  46          2HB       CYS  46  36.762   3.097  -2.558
  311   2HB   CYS  46          1HB       CYS  46  35.502   1.930  -2.786
  312    H    CYS  47           H        CYS  47  37.234   0.084   0.499
  313    HA   CYS  47           HA       CYS  47  35.341  -2.084  -0.103
  314   1HB   CYS  47          2HB       CYS  47  38.070  -2.090   1.110
  315   2HB   CYS  47          1HB       CYS  47  37.093  -3.481   1.223
  316    H    LYS  48           H        LYS  48  35.252  -3.429   2.201
  317    HA   LYS  48           HA       LYS  48  35.134  -1.452   4.289
  318   1HB   LYS  48          2HB       LYS  48  32.939  -1.534   4.813
  319   2HB   LYS  48          1HB       LYS  48  32.924  -1.374   3.075
  320   1HG   LYS  48          2HG       LYS  48  32.507  -3.932   4.660
  321   2HG   LYS  48          1HG       LYS  48  31.345  -2.963   3.805
  322   1HD   LYS  48          2HD       LYS  48  32.956  -3.222   1.810
  323   2HD   LYS  48          1HD       LYS  48  33.752  -4.436   2.720
  324   1HE   LYS  48          2HE       LYS  48  32.228  -5.763   1.400
  325   2HE   LYS  48          1HE       LYS  48  31.704  -5.804   3.066
  326   1HZ   LYS  48          1HZ       LYS  48  30.468  -3.641   1.791
  327   2HZ   LYS  48          3HZ       LYS  48  30.301  -5.024   0.830
  328   3HZ   LYS  48          2HZ       LYS  48  29.755  -5.049   2.444
  329    H    LYS  49           H        LYS  49  34.418  -2.443   6.202
  330    HA   LYS  49           HA       LYS  49  35.675  -5.152   6.512
  331   1HB   LYS  49          2HB       LYS  49  34.885  -3.087   8.605
  332   2HB   LYS  49          1HB       LYS  49  35.601  -4.645   8.963
  333   1HG   LYS  49          2HG       LYS  49  37.517  -3.957   7.358
  334   2HG   LYS  49          1HG       LYS  49  36.812  -2.353   7.359
  335   1HD   LYS  49          2HD       LYS  49  38.584  -2.369   9.014
  336   2HD   LYS  49          1HD       LYS  49  37.059  -2.298   9.873
  337   1HE   LYS  49          2HE       LYS  49  37.166  -4.743  10.316
  338   2HE   LYS  49          1HE       LYS  49  38.638  -4.866   9.364
  339   1HZ   LYS  49          1HZ       LYS  49  38.993  -2.861  11.268
  340   2HZ   LYS  49          3HZ       LYS  49  38.341  -4.213  12.056
  341   3HZ   LYS  49          2HZ       LYS  49  39.774  -4.368  11.162
   
  No H/Q in entry =         341
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  42.497   5.281   7.127
    2   2H    GLY   1          3H        GLY   1  43.094   3.768   6.643
    3   3H    GLY   1          2H        GLY   1  44.143   5.106   6.730
    4   1HA   GLY   1          2HA       GLY   1  43.697   5.619   4.629
    5   2HA   GLY   1          1HA       GLY   1  42.594   4.233   4.545
    6    H    VAL   2           H        VAL   2  41.827   6.378   3.112
    7    HA   VAL   2           HA       VAL   2  39.943   7.943   4.776
    8    HB   VAL   2           HB       VAL   2  40.783   8.272   1.852
    9   1HG1  VAL   2          1HG1      VAL   2  38.539   9.269   2.285
   10   2HG1  VAL   2          3HG1      VAL   2  39.210  10.213   3.611
   11   3HG1  VAL   2          2HG1      VAL   2  39.738  10.499   1.966
   12   1HG2  VAL   2          2HG2      VAL   2  41.611   9.830   4.348
   13   2HG2  VAL   2          1HG2      VAL   2  42.643   8.717   3.467
   14   3HG2  VAL   2          3HG2      VAL   2  42.119  10.207   2.707
   15    HA   PRO   3           HA       PRO   3  36.610   5.470   3.023
   16   1HB   PRO   3          2HB       PRO   3  34.463   6.741   3.948
   17   2HB   PRO   3          1HB       PRO   3  35.563   5.979   5.107
   18   1HG   PRO   3          2HG       PRO   3  35.655   8.890   4.084
   19   2HG   PRO   3          1HG       PRO   3  35.506   8.376   5.766
   20   1HD   PRO   3          2HD       PRO   3  37.958   8.903   4.784
   21   2HD   PRO   3          1HD       PRO   3  37.755   7.482   5.823
   22    H    CYS   4           H        CYS   4  34.918   5.591   1.561
   23    HA   CYS   4           HA       CYS   4  34.558   8.008  -0.037
   24   1HB   CYS   4          2HB       CYS   4  35.076   6.172  -2.029
   25   2HB   CYS   4          1HB       CYS   4  36.233   7.359  -1.459
   26    H    LEU   5           H        LEU   5  32.789   7.571  -1.707
   27    HA   LEU   5           HA       LEU   5  30.692   5.995  -0.425
   28   1HB   LEU   5          2HB       LEU   5  30.222   8.237  -1.534
   29   2HB   LEU   5          1HB       LEU   5  30.706   7.564  -3.079
   30    HG   LEU   5           HG       LEU   5  28.495   6.095  -1.601
   31   1HD1  LEU   5          1HD1      LEU   5  28.041   8.755  -3.022
   32   2HD1  LEU   5          3HD1      LEU   5  26.796   7.672  -2.408
   33   3HD1  LEU   5          2HD1      LEU   5  27.877   8.476  -1.292
   34   1HD2  LEU   5          2HD2      LEU   5  29.320   5.430  -3.985
   35   2HD2  LEU   5          1HD2      LEU   5  27.626   5.851  -3.908
   36   3HD2  LEU   5          3HD2      LEU   5  28.792   7.000  -4.520
   37    H    CYS   6           H        CYS   6  29.514   4.417  -1.959
   38    HA   CYS   6           HA       CYS   6  31.385   3.095  -3.769
   39   1HB   CYS   6          2HB       CYS   6  30.005   1.317  -1.772
   40   2HB   CYS   6          1HB       CYS   6  31.452   1.157  -2.701
   41    H    ASP   7           H        ASP   7  30.402   0.909  -4.390
   42    HA   ASP   7           HA       ASP   7  28.124   1.600  -6.112
   43   1HB   ASP   7          2HB       ASP   7  29.917   0.086  -6.973
   44   2HB   ASP   7          1HB       ASP   7  29.571  -1.069  -5.695
   45    H    SER   8           H        SER   8  28.725  -0.211  -3.209
   46    HA   SER   8           HA       SER   8  25.827  -0.858  -2.956
   47   1HB   SER   8          2HB       SER   8  26.672  -2.601  -1.338
   48   2HB   SER   8          1HB       SER   8  27.350  -2.806  -2.971
   49    HG   SER   8           HG       SER   8  28.806  -2.520  -0.922
   50    H    ASP   9           H        ASP   9  28.282   1.048  -1.698
   51    HA   ASP   9           HA       ASP   9  28.125   1.428   0.966
   52   1HB   ASP   9          2HB       ASP   9  29.478   2.934  -0.242
   53   2HB   ASP   9          1HB       ASP   9  28.205   3.496  -1.274
   54    H    GLY  10           H        GLY  10  25.648   2.445  -1.192
   55   1HA   GLY  10          2HA       GLY  10  23.322   2.076  -0.038
   56   2HA   GLY  10          1HA       GLY  10  23.906   3.389   1.017
   57    HA   PRO  11           HA       PRO  11  22.823   4.540  -3.555
   58   1HB   PRO  11          2HB       PRO  11  20.152   4.626  -3.921
   59   2HB   PRO  11          1HB       PRO  11  20.974   3.055  -3.843
   60   1HG   PRO  11          2HG       PRO  11  19.734   4.621  -1.492
   61   2HG   PRO  11          1HG       PRO  11  19.278   3.002  -2.042
   62   1HD   PRO  11          2HD       PRO  11  21.106   3.230  -0.075
   63   2HD   PRO  11          1HD       PRO  11  21.421   2.063  -1.377
   64    H    ARG  12           H        ARG  12  23.081   6.177  -1.041
   65    HA   ARG  12           HA       ARG  12  21.550   8.603  -1.923
   66   1HB   ARG  12          2HB       ARG  12  22.578   7.757   0.775
   67   2HB   ARG  12          1HB       ARG  12  22.163   9.429   0.431
   68   1HG   ARG  12          2HG       ARG  12  19.911   8.604  -0.454
   69   2HG   ARG  12          1HG       ARG  12  20.334   7.001   0.132
   70   1HD   ARG  12          2HD       ARG  12  20.406   7.790   2.423
   71   2HD   ARG  12          1HD       ARG  12  20.240   9.473   1.896
   72    HE   ARG  12           HE       ARG  12  18.006   8.431   0.832
   73   1HH1  ARG  12          1HH2      ARG  12  17.450   6.171   2.185
   74   2HH1  ARG  12          2HH2      ARG  12  16.810   6.605   3.730
   75   1HH2  ARG  12          2HH1      ARG  12  18.112   9.864   3.525
   76   2HH2  ARG  12          1HH1      ARG  12  17.205   8.781   4.520
   77    HA   PRO  13           HA       PRO  13  25.805   9.772  -3.074
   78   1HB   PRO  13          2HB       PRO  13  25.226  11.335  -5.228
   79   2HB   PRO  13          1HB       PRO  13  25.025   9.577  -5.360
   80   1HG   PRO  13          2HG       PRO  13  22.908  11.646  -4.514
   81   2HG   PRO  13          1HG       PRO  13  22.812  10.510  -5.866
   82   1HD   PRO  13          2HD       PRO  13  21.736   9.862  -3.503
   83   2HD   PRO  13          1HD       PRO  13  22.609   8.596  -4.388
   84    H    ARG  14           H        ARG  14  26.789  12.004  -3.296
   85    HA   ARG  14           HA       ARG  14  27.296  14.040  -2.324
   86   1HB   ARG  14          2HB       ARG  14  24.242  14.411  -2.197
   87   2HB   ARG  14          1HB       ARG  14  25.489  15.638  -2.167
   88   1HG   ARG  14          2HG       ARG  14  26.172  15.192  -4.445
   89   2HG   ARG  14          1HG       ARG  14  25.138  13.779  -4.539
   90   1HD   ARG  14          2HD       ARG  14  24.103  15.727  -5.681
   91   2HD   ARG  14          1HD       ARG  14  23.123  15.206  -4.315
   92    HE   ARG  14           HE       ARG  14  24.939  17.222  -3.418
   93   1HH1  ARG  14          2HH1      ARG  14  21.817  16.826  -3.471
   94   2HH1  ARG  14          1HH1      ARG  14  21.333  18.354  -4.117
   95   1HH2  ARG  14          1HH2      ARG  14  24.611  19.144  -5.125
   96   2HH2  ARG  14          2HH2      ARG  14  22.983  19.712  -5.074
   97    H    GLY  15           H        GLY  15  26.195  15.455  -0.208
   98   1HA   GLY  15          2HA       GLY  15  25.822  15.362   2.125
   99   2HA   GLY  15          1HA       GLY  15  25.378  13.672   1.940
  100    H    ASN  16           H        ASN  16  27.630  12.552   1.000
  101    HA   ASN  16           HA       ASN  16  29.943  12.066   1.332
  102   1HB   ASN  16          2HB       ASN  16  30.237  14.370   2.576
  103   2HB   ASN  16          1HB       ASN  16  29.770  13.510   4.034
  104   1HD2  ASN  16          2HD2      ASN  16  33.459  12.871   2.530
  105   2HD2  ASN  16          1HD2      ASN  16  32.350  13.797   1.616
  106    H    THR  17           H        THR  17  29.133   9.916   1.459
  107    HA   THR  17           HA       THR  17  28.058   8.948   3.999
  108    HB   THR  17           HB       THR  17  27.746   6.805   2.509
  109    HG1  THR  17           HG1      THR  17  29.073   6.946   0.884
  110   1HG2  THR  17          2HG2      THR  17  26.786   9.422   1.190
  111   2HG2  THR  17          1HG2      THR  17  26.069   7.837   0.997
  112   3HG2  THR  17          3HG2      THR  17  25.954   8.671   2.537
  113    H    LEU  18           H        LEU  18  28.930   6.944   4.964
  114    HA   LEU  18           HA       LEU  18  31.812   6.444   4.419
  115   1HB   LEU  18          2HB       LEU  18  31.283   8.193   6.368
  116   2HB   LEU  18          1HB       LEU  18  30.872   6.768   7.302
  117    HG   LEU  18           HG       LEU  18  33.541   7.348   5.957
  118   1HD1  LEU  18          1HD1      LEU  18  32.786   7.218   8.906
  119   2HD1  LEU  18          3HD1      LEU  18  34.411   7.452   8.282
  120   3HD1  LEU  18          2HD1      LEU  18  33.182   8.671   8.003
  121   1HD2  LEU  18          2HD2      LEU  18  32.773   4.931   7.659
  122   2HD2  LEU  18          1HD2      LEU  18  33.164   4.882   5.952
  123   3HD2  LEU  18          3HD2      LEU  18  34.401   5.298   7.110
  124    H    SER  19           H        SER  19  30.511   4.585   3.456
  125    HA   SER  19           HA       SER  19  29.525   2.617   5.423
  126   1HB   SER  19          2HB       SER  19  29.673   2.408   2.386
  127   2HB   SER  19          1HB       SER  19  28.744   1.359   3.478
  128    HG   SER  19           HG       SER  19  27.234   2.870   3.132
  129    H    GLY  20           H        GLY  20  32.507   3.273   3.907
  130   1HA   GLY  20          2HA       GLY  20  33.747   0.912   5.047
  131   2HA   GLY  20          1HA       GLY  20  33.654   0.832   3.285
  132    H    ILE  21           H        ILE  21  36.061   0.826   3.444
  133    HA   ILE  21           HA       ILE  21  37.084   3.635   3.477
  134    HB   ILE  21           HB       ILE  21  38.072   1.263   5.052
  135   1HG1  ILE  21          2HG1      ILE  21  36.604   3.023   6.110
  136   2HG1  ILE  21          1HG1      ILE  21  38.114   2.748   6.947
  137   1HG2  ILE  21          1HG2      ILE  21  39.918   3.529   4.264
  138   2HG2  ILE  21          3HG2      ILE  21  40.237   2.376   5.551
  139   3HG2  ILE  21          2HG2      ILE  21  40.112   1.822   3.902
  140   1HD1  ILE  21          2HD1      ILE  21  37.579   4.999   4.973
  141   2HD1  ILE  21          1HD1      ILE  21  37.659   5.190   6.696
  142   3HD1  ILE  21          3HD1      ILE  21  39.098   4.771   5.810
  143    H    LEU  22           H        LEU  22  38.799   4.156   2.003
  144    HA   LEU  22           HA       LEU  22  39.005   2.494  -0.336
  145   1HB   LEU  22          2HB       LEU  22  40.611   4.119  -1.161
  146   2HB   LEU  22          1HB       LEU  22  39.406   4.997  -0.254
  147    HG   LEU  22           HG       LEU  22  41.057   4.993   1.719
  148   1HD1  LEU  22          3HD1      LEU  22  43.043   4.303  -0.487
  149   2HD1  LEU  22          2HD1      LEU  22  43.467   4.857   1.119
  150   3HD1  LEU  22          1HD1      LEU  22  42.730   3.299   0.913
  151   1HD2  LEU  22          2HD2      LEU  22  40.585   6.972   0.231
  152   2HD2  LEU  22          1HD2      LEU  22  42.282   6.982   0.697
  153   3HD2  LEU  22          3HD2      LEU  22  41.800   6.419  -0.896
  154    H    TRP  23           H        TRP  23  40.830   1.180  -1.013
  155    HA   TRP  23           HA       TRP  23  42.675   0.504   1.171
  156   1HB   TRP  23          2HB       TRP  23  40.680  -1.273  -0.115
  157   2HB   TRP  23          1HB       TRP  23  42.260  -2.010   0.086
  158    HD1  TRP  23           HD1      TRP  23  39.286  -0.972   2.212
  159    HE1  TRP  23           HE1      TRP  23  39.860  -1.269   4.650
  160    HE3  TRP  23           HE3      TRP  23  44.134  -1.721   1.604
  161    HZ2  TRP  23           HZ2      TRP  23  42.186  -1.699   6.157
  162    HZ3  TRP  23           HZ3      TRP  23  45.635  -2.031   3.526
  163    HH2  TRP  23           HH2      TRP  23  44.642  -2.038   5.859
  164    H    PHE  24           H        PHE  24  44.432   0.021   0.908
  165    HA   PHE  24           HA       PHE  24  45.728   0.403  -1.675
  166   1HB   PHE  24          2HB       PHE  24  46.347   0.672   1.220
  167   2HB   PHE  24          1HB       PHE  24  47.716   0.073   0.388
  168    HD1  PHE  24           HD1      PHE  24  45.052   2.731   0.197
  169    HD2  PHE  24           HD2      PHE  24  49.102   1.746  -0.697
  170    HE1  PHE  24           HE1      PHE  24  45.463   5.045  -0.495
  171    HE2  PHE  24           HE2      PHE  24  49.511   4.065  -1.388
  172    HZ   PHE  24           HZ       PHE  24  47.689   5.721  -1.289
  173    H    TYR  25           H        TYR  25  44.489  -2.153  -1.648
  174    HA   TYR  25           HA       TYR  25  46.836  -3.877  -1.504
  175   1HB   TYR  25          2HB       TYR  25  44.087  -4.363  -0.612
  176   2HB   TYR  25          1HB       TYR  25  44.655  -5.671  -1.621
  177    HD1  TYR  25           HD1      TYR  25  46.893  -3.576   0.455
  178    HD2  TYR  25           HD2      TYR  25  44.861  -7.282   0.141
  179    HE1  TYR  25           HE1      TYR  25  48.212  -4.440   2.333
  180    HE2  TYR  25           HE2      TYR  25  46.187  -8.165   2.014
  181    HH   TYR  25           HH       TYR  25  47.502  -7.348   3.940
  182    HA   PRO  26           HA       PRO  26  46.737  -4.210  -5.700
  183   1HB   PRO  26          2HB       PRO  26  48.682  -6.130  -6.102
  184   2HB   PRO  26          1HB       PRO  26  49.102  -4.535  -5.457
  185   1HG   PRO  26          2HG       PRO  26  48.381  -7.074  -3.861
  186   2HG   PRO  26          1HG       PRO  26  49.839  -6.092  -3.707
  187   1HD   PRO  26          2HD       PRO  26  47.726  -5.566  -2.048
  188   2HD   PRO  26          1HD       PRO  26  48.556  -4.164  -2.747
  189    H    SER  27           H        SER  27  46.016  -6.670  -3.575
  190    HA   SER  27           HA       SER  27  44.882  -8.561  -5.500
  191   1HB   SER  27          2HB       SER  27  44.344  -9.611  -3.024
  192   2HB   SER  27          1HB       SER  27  45.949  -9.765  -3.751
  193    HG   SER  27           HG       SER  27  46.610  -8.577  -2.153
  194    H    GLY  28           H        GLY  28  43.885  -5.745  -4.237
  195   1HA   GLY  28          2HA       GLY  28  41.631  -4.916  -4.698
  196   2HA   GLY  28          1HA       GLY  28  40.986  -6.514  -4.282
  197    H    CYS  29           H        CYS  29  40.186  -6.617  -2.176
  198    HA   CYS  29           HA       CYS  29  40.977  -4.553  -0.264
  199   1HB   CYS  29          2HB       CYS  29  38.978  -6.756   0.204
  200   2HB   CYS  29          1HB       CYS  29  39.114  -5.158   0.858
  201    HA   PRO  30           HA       PRO  30  43.508  -7.517   1.881
  202   1HB   PRO  30          2HB       PRO  30  44.007  -6.325   4.235
  203   2HB   PRO  30          1HB       PRO  30  44.446  -5.471   2.737
  204   1HG   PRO  30          2HG       PRO  30  41.815  -5.352   4.204
  205   2HG   PRO  30          1HG       PRO  30  42.898  -4.008   3.975
  206   1HD   PRO  30          2HD       PRO  30  40.908  -4.392   2.180
  207   2HD   PRO  30          1HD       PRO  30  42.528  -4.026   1.547
  208    H    SER  31           H        SER  31  43.762  -8.588   4.009
  209    HA   SER  31           HA       SER  31  41.848 -10.536   4.353
  210   1HB   SER  31          2HB       SER  31  43.160 -10.906   6.576
  211   2HB   SER  31          1HB       SER  31  44.144 -10.849   5.108
  212    HG   SER  31           HG       SER  31  43.424  -8.544   6.591
  213    H    GLY  32           H        GLY  32  39.791 -10.043   4.781
  214   1HA   GLY  32          2HA       GLY  32  38.218  -9.909   6.741
  215   2HA   GLY  32          1HA       GLY  32  39.223  -8.618   7.373
  216    H    TRP  33           H        TRP  33  39.027  -8.056   4.139
  217    HA   TRP  33           HA       TRP  33  36.693  -6.267   4.519
  218   1HB   TRP  33          2HB       TRP  33  39.139  -6.007   2.716
  219   2HB   TRP  33          1HB       TRP  33  37.806  -4.874   2.771
  220    HD1  TRP  33           HD1      TRP  33  40.361  -6.382   5.330
  221    HE1  TRP  33           HE1      TRP  33  40.866  -4.665   7.076
  222    HE3  TRP  33           HE3      TRP  33  37.328  -2.816   3.612
  223    HZ2  TRP  33           HZ2      TRP  33  40.054  -2.028   7.651
  224    HZ3  TRP  33           HZ3      TRP  33  37.185  -0.661   4.752
  225    HH2  TRP  33           HH2      TRP  33  38.574  -0.252   6.806
  226    H    HIS  34           H        HIS  34  35.477  -5.897   2.458
  227    HA   HIS  34           HA       HIS  34  35.769  -8.153   0.524
  228   1HB   HIS  34          2HB       HIS  34  34.413  -8.903   2.477
  229   2HB   HIS  34          1HB       HIS  34  33.238  -7.648   2.111
  230    HD1  HIS  34           HD1      HIS  34  34.791 -10.673   0.497
  231    HD2  HIS  34           HD2      HIS  34  31.355  -8.344   0.288
  232    HE1  HIS  34           HE1      HIS  34  33.185 -11.742  -1.085
  233    H    ASN  35           H        ASN  35  36.146  -5.435   0.146
  234    HA   ASN  35           HA       ASN  35  35.796  -3.769  -1.405
  235   1HB   ASN  35          2HB       ASN  35  35.813  -5.644  -3.032
  236   2HB   ASN  35          1HB       ASN  35  34.069  -5.808  -2.839
  237   1HD2  ASN  35          2HD2      ASN  35  35.578  -2.490  -4.731
  238   2HD2  ASN  35          1HD2      ASN  35  36.595  -3.410  -3.726
  239    H    CYS  36           H        CYS  36  34.506  -2.135  -2.056
  240    HA   CYS  36           HA       CYS  36  31.692  -2.098  -1.130
  241   1HB   CYS  36          2HB       CYS  36  32.214  -0.292   0.165
  242   2HB   CYS  36          1HB       CYS  36  33.822  -0.856   0.057
  243    H    LYS  37           H        LYS  37  34.131  -0.727  -3.251
  244    HA   LYS  37           HA       LYS  37  31.977  -0.299  -5.294
  245   1HB   LYS  37          2HB       LYS  37  32.930   1.921  -4.377
  246   2HB   LYS  37          1HB       LYS  37  34.500   1.437  -4.975
  247   1HG   LYS  37          2HG       LYS  37  33.689   1.307  -7.271
  248   2HG   LYS  37          1HG       LYS  37  32.036   1.559  -6.778
  249   1HD   LYS  37          2HD       LYS  37  34.222   3.669  -6.483
  250   2HD   LYS  37          1HD       LYS  37  33.175   3.555  -7.878
  251   1HE   LYS  37          2HE       LYS  37  31.184   3.749  -6.194
  252   2HE   LYS  37          1HE       LYS  37  32.419   4.249  -5.044
  253   1HZ   LYS  37          2HZ       LYS  37  32.837   5.710  -7.356
  254   2HZ   LYS  37          1HZ       LYS  37  31.177   5.787  -7.015
  255   3HZ   LYS  37          3HZ       LYS  37  32.306   6.266  -5.838
  256    H    ALA  38           H        ALA  38  32.272  -1.876  -6.681
  257    HA   ALA  38           HA       ALA  38  34.924  -3.072  -7.164
  258   1HB   ALA  38          3HB       ALA  38  32.206  -3.653  -8.435
  259   2HB   ALA  38          2HB       ALA  38  33.644  -4.640  -8.628
  260   3HB   ALA  38          1HB       ALA  38  32.867  -4.527  -7.053
  261    H    HIS  39           H        HIS  39  34.428  -0.293  -7.782
  262    HA   HIS  39           HA       HIS  39  35.040  -0.319 -10.708
  263   1HB   HIS  39          2HB       HIS  39  33.384   1.863  -9.349
  264   2HB   HIS  39          1HB       HIS  39  33.539   1.583 -11.074
  265    HD1  HIS  39           HD1      HIS  39  32.971  -1.552 -10.703
  266    HD2  HIS  39           HD2      HIS  39  30.711   1.623  -9.252
  267    HE1  HIS  39           HE1      HIS  39  30.680  -2.330 -10.278
  268    H    GLY  40           H        GLY  40  36.525  -0.210  -8.105
  269   1HA   GLY  40          2HA       GLY  40  38.786   0.725  -7.992
  270   2HA   GLY  40          1HA       GLY  40  38.155   2.196  -8.732
  271    HA   PRO  41           HA       PRO  41  38.628   4.103  -8.161
  272   1HB   PRO  41          2HB       PRO  41  39.836   6.013  -6.720
  273   2HB   PRO  41          1HB       PRO  41  38.072   5.874  -6.654
  274   1HG   PRO  41          2HG       PRO  41  40.085   4.486  -4.764
  275   2HG   PRO  41          1HG       PRO  41  38.805   5.592  -4.284
  276   1HD   PRO  41          2HD       PRO  41  38.253   3.036  -4.222
  277   2HD   PRO  41          1HD       PRO  41  37.051   4.140  -4.915
  278    H    ASN  42           H        ASN  42  41.142   5.118  -8.246
  279    HA   ASN  42           HA       ASN  42  42.862   2.733  -8.077
  280   1HB   ASN  42          2HB       ASN  42  42.671   4.244 -10.251
  281   2HB   ASN  42          1HB       ASN  42  43.472   5.496  -9.317
  282   1HD2  ASN  42          2HD2      ASN  42  46.581   3.464  -9.320
  283   2HD2  ASN  42          1HD2      ASN  42  45.666   4.234  -8.107
  284    H    ILE  43           H        ILE  43  41.807   5.330  -6.410
  285    HA   ILE  43           HA       ILE  43  44.348   5.751  -5.253
  286    HB   ILE  43           HB       ILE  43  41.668   7.104  -4.504
  287   1HG1  ILE  43          2HG1      ILE  43  42.793   9.144  -5.746
  288   2HG1  ILE  43          1HG1      ILE  43  43.880   7.967  -6.441
  289   1HG2  ILE  43          1HG2      ILE  43  44.521   8.014  -3.855
  290   2HG2  ILE  43          3HG2      ILE  43  43.061   8.903  -3.473
  291   3HG2  ILE  43          2HG2      ILE  43  43.379   7.381  -2.686
  292   1HD1  ILE  43          3HD1      ILE  43  40.855   7.945  -6.748
  293   2HD1  ILE  43          2HD1      ILE  43  41.997   8.534  -7.943
  294   3HD1  ILE  43          1HD1      ILE  43  41.964   6.837  -7.559
  295    H    GLY  44           H        GLY  44  43.181   3.367  -5.098
  296   1HA   GLY  44          2HA       GLY  44  43.462   1.616  -3.503
  297   2HA   GLY  44          1HA       GLY  44  42.932   2.670  -2.195
  298    H    TRP  45           H        TRP  45  41.971   0.110  -3.686
  299    HA   TRP  45           HA       TRP  45  39.390   0.568  -4.828
  300   1HB   TRP  45          2HB       TRP  45  39.851  -1.791  -2.975
  301   2HB   TRP  45          1HB       TRP  45  38.868  -1.741  -4.418
  302    HD1  TRP  45           HD1      TRP  45  42.572  -1.771  -3.333
  303    HE1  TRP  45           HE1      TRP  45  43.963  -2.851  -5.090
  304    HE3  TRP  45           HE3      TRP  45  38.987  -2.284  -6.858
  305    HZ2  TRP  45           HZ2      TRP  45  43.634  -3.776  -7.675
  306    HZ3  TRP  45           HZ3      TRP  45  39.595  -3.300  -9.030
  307    HH2  TRP  45           HH2      TRP  45  41.915  -4.046  -9.435
  308    H    CYS  46           H        CYS  46  37.254   1.106  -3.784
  309    HA   CYS  46           HA       CYS  46  37.597   1.579  -0.874
  310   1HB   CYS  46          2HB       CYS  46  35.341   2.105  -2.775
  311   2HB   CYS  46          1HB       CYS  46  35.393   2.643  -1.117
  312    H    CYS  47           H        CYS  47  37.253   0.159   0.393
  313    HA   CYS  47           HA       CYS  47  35.395  -2.053  -0.200
  314   1HB   CYS  47          2HB       CYS  47  38.100  -2.007   1.074
  315   2HB   CYS  47          1HB       CYS  47  37.118  -3.395   1.180
  316    H    LYS  48           H        LYS  48  35.326  -3.346   2.128
  317    HA   LYS  48           HA       LYS  48  35.121  -1.398   4.225
  318   1HB   LYS  48          2HB       LYS  48  32.918  -1.496   4.696
  319   2HB   LYS  48          1HB       LYS  48  32.924  -1.327   2.964
  320   1HG   LYS  48          2HG       LYS  48  32.497  -3.847   4.557
  321   2HG   LYS  48          1HG       LYS  48  31.348  -2.908   3.644
  322   1HD   LYS  48          2HD       LYS  48  33.049  -3.185   1.709
  323   2HD   LYS  48          1HD       LYS  48  33.761  -4.426   2.665
  324   1HE   LYS  48          2HE       LYS  48  30.882  -4.533   1.659
  325   2HE   LYS  48          1HE       LYS  48  32.168  -5.658   1.250
  326   1HZ   LYS  48          1HZ       LYS  48  31.942  -5.533   4.032
  327   2HZ   LYS  48          3HZ       LYS  48  30.395  -5.778   3.373
  328   3HZ   LYS  48          2HZ       LYS  48  31.654  -6.860   3.012
  329    H    LYS  49           H        LYS  49  34.347  -2.543   6.149
  330    HA   LYS  49           HA       LYS  49  35.927  -5.056   6.394
  331   1HB   LYS  49          2HB       LYS  49  34.407  -3.405   8.451
  332   2HB   LYS  49          1HB       LYS  49  35.148  -4.944   8.860
  333   1HG   LYS  49          2HG       LYS  49  37.333  -4.052   7.909
  334   2HG   LYS  49          1HG       LYS  49  36.557  -2.484   7.749
  335   1HD   LYS  49          2HD       LYS  49  36.179  -2.366  10.164
  336   2HD   LYS  49          1HD       LYS  49  36.770  -4.007  10.384
  337   1HE   LYS  49          2HE       LYS  49  39.004  -3.297   9.486
  338   2HE   LYS  49          1HE       LYS  49  38.406  -1.644   9.363
  339   1HZ   LYS  49          1HZ       LYS  49  37.864  -2.585  11.934
  340   2HZ   LYS  49          3HZ       LYS  49  39.491  -2.932  11.572
  341   3HZ   LYS  49          2HZ       LYS  49  38.909  -1.337  11.446
   
  No H/Q in entry =         341
  Start of MODEL    9
    1   1H    GLY   1          3H        GLY   1  43.377   6.683   6.983
    2   2H    GLY   1          2H        GLY   1  43.834   5.116   7.443
    3   3H    GLY   1          1H        GLY   1  44.638   5.887   6.158
    4   1HA   GLY   1          2HA       GLY   1  43.180   5.058   4.711
    5   2HA   GLY   1          1HA       GLY   1  42.329   4.280   6.047
    6    H    VAL   2           H        VAL   2  41.677   6.139   3.552
    7    HA   VAL   2           HA       VAL   2  39.927   8.076   4.944
    8    HB   VAL   2           HB       VAL   2  40.389   7.730   1.957
    9   1HG1  VAL   2          1HG1      VAL   2  38.359   9.025   2.511
   10   2HG1  VAL   2          3HG1      VAL   2  39.310  10.108   3.512
   11   3HG1  VAL   2          2HG1      VAL   2  39.580  10.049   1.780
   12   1HG2  VAL   2          1HG2      VAL   2  41.819   9.609   3.910
   13   2HG2  VAL   2          3HG2      VAL   2  42.561   8.242   3.104
   14   3HG2  VAL   2          2HG2      VAL   2  42.036   9.625   2.171
   15    HA   PRO   3           HA       PRO   3  36.364   5.542   3.782
   16   1HB   PRO   3          2HB       PRO   3  34.409   6.861   4.937
   17   2HB   PRO   3          1HB       PRO   3  35.594   6.006   5.929
   18   1HG   PRO   3          2HG       PRO   3  35.645   8.978   5.056
   19   2HG   PRO   3          1HG       PRO   3  35.716   8.361   6.708
   20   1HD   PRO   3          2HD       PRO   3  38.010   8.921   5.333
   21   2HD   PRO   3          1HD       PRO   3  37.961   7.524   6.434
   22    H    CYS   4           H        CYS   4  35.300   5.551   1.951
   23    HA   CYS   4           HA       CYS   4  34.716   8.104   0.540
   24   1HB   CYS   4          2HB       CYS   4  35.067   6.278  -1.485
   25   2HB   CYS   4          1HB       CYS   4  36.357   7.228  -0.800
   26    H    LEU   5           H        LEU   5  33.351   7.040  -1.594
   27    HA   LEU   5           HA       LEU   5  30.781   6.132  -0.406
   28   1HB   LEU   5          2HB       LEU   5  30.827   8.445  -1.425
   29   2HB   LEU   5          1HB       LEU   5  31.362   7.763  -2.943
   30    HG   LEU   5           HG       LEU   5  28.739   6.782  -1.696
   31   1HD1  LEU   5          1HD1      LEU   5  29.068   9.275  -3.427
   32   2HD1  LEU   5          3HD1      LEU   5  27.547   8.553  -2.914
   33   3HD1  LEU   5          2HD1      LEU   5  28.624   9.267  -1.726
   34   1HD2  LEU   5          3HD2      LEU   5  29.628   7.194  -4.612
   35   2HD2  LEU   5          2HD2      LEU   5  29.637   5.646  -3.815
   36   3HD2  LEU   5          1HD2      LEU   5  28.126   6.457  -4.091
   37    H    CYS   6           H        CYS   6  29.676   4.501  -1.654
   38    HA   CYS   6           HA       CYS   6  31.308   3.216  -3.731
   39   1HB   CYS   6          2HB       CYS   6  30.206   1.468  -1.517
   40   2HB   CYS   6          1HB       CYS   6  31.457   1.221  -2.679
   41    H    ASP   7           H        ASP   7  30.204   0.989  -4.116
   42    HA   ASP   7           HA       ASP   7  27.705   1.613  -5.530
   43   1HB   ASP   7          2HB       ASP   7  29.591   0.282  -6.599
   44   2HB   ASP   7          1HB       ASP   7  29.345  -0.976  -5.409
   45    H    SER   8           H        SER   8  28.790  -0.908  -3.269
   46    HA   SER   8           HA       SER   8  26.044  -1.630  -2.612
   47   1HB   SER   8          2HB       SER   8  28.705  -2.372  -1.274
   48   2HB   SER   8          1HB       SER   8  27.152  -3.215  -1.049
   49    HG   SER   8           HG       SER   8  27.414  -4.076  -2.979
   50    H    ASP   9           H        ASP   9  28.109   0.785  -1.730
   51    HA   ASP   9           HA       ASP   9  27.713   1.335   0.984
   52   1HB   ASP   9          2HB       ASP   9  29.287   2.692  -0.282
   53   2HB   ASP   9          1HB       ASP   9  28.042   3.198  -1.395
   54    H    GLY  10           H        GLY  10  25.603   1.863  -1.673
   55   1HA   GLY  10          2HA       GLY  10  23.153   1.803  -1.139
   56   2HA   GLY  10          1HA       GLY  10  23.496   2.953   0.164
   57    HA   PRO  11           HA       PRO  11  23.222   4.875  -4.263
   58   1HB   PRO  11          2HB       PRO  11  20.679   4.901  -5.094
   59   2HB   PRO  11          1HB       PRO  11  21.552   3.356  -5.087
   60   1HG   PRO  11          2HG       PRO  11  19.850   4.536  -2.798
   61   2HG   PRO  11          1HG       PRO  11  19.547   3.013  -3.640
   62   1HD   PRO  11          2HD       PRO  11  21.021   2.984  -1.371
   63   2HD   PRO  11          1HD       PRO  11  21.586   2.014  -2.745
   64    H    ARG  12           H        ARG  12  23.290   6.016  -1.714
   65    HA   ARG  12           HA       ARG  12  21.538   8.427  -1.987
   66   1HB   ARG  12          2HB       ARG  12  22.802   7.129   0.436
   67   2HB   ARG  12          1HB       ARG  12  21.986   8.682   0.490
   68   1HG   ARG  12          2HG       ARG  12  19.943   7.679   0.488
   69   2HG   ARG  12          1HG       ARG  12  20.285   6.807  -0.981
   70   1HD   ARG  12          2HD       ARG  12  19.828   5.126   0.636
   71   2HD   ARG  12          1HD       ARG  12  21.581   5.123   0.469
   72    HE   ARG  12           HE       ARG  12  20.549   6.869   2.596
   73   1HH1  ARG  12          2HH1      ARG  12  20.269   3.632   2.356
   74   2HH1  ARG  12          1HH1      ARG  12  21.361   3.195   3.619
   75   1HH2  ARG  12          1HH2      ARG  12  22.589   6.483   3.926
   76   2HH2  ARG  12          2HH2      ARG  12  22.716   4.873   4.540
   77    HA   PRO  13           HA       PRO  13  25.804   9.854  -2.988
   78   1HB   PRO  13          2HB       PRO  13  25.172  11.527  -5.058
   79   2HB   PRO  13          1HB       PRO  13  25.225   9.770  -5.302
   80   1HG   PRO  13          2HG       PRO  13  22.789  11.475  -4.512
   81   2HG   PRO  13          1HG       PRO  13  22.939  10.429  -5.930
   82   1HD   PRO  13          2HD       PRO  13  21.798   9.452  -3.736
   83   2HD   PRO  13          1HD       PRO  13  22.971   8.412  -4.558
   84    H    ARG  14           H        ARG  14  26.721  11.958  -2.557
   85    HA   ARG  14           HA       ARG  14  26.966  13.736  -1.130
   86   1HB   ARG  14          2HB       ARG  14  24.355  14.501  -2.542
   87   2HB   ARG  14          1HB       ARG  14  25.369  15.614  -1.648
   88   1HG   ARG  14          2HG       ARG  14  27.263  15.188  -3.203
   89   2HG   ARG  14          1HG       ARG  14  26.243  14.102  -4.133
   90   1HD   ARG  14          2HD       ARG  14  24.663  15.937  -4.616
   91   2HD   ARG  14          1HD       ARG  14  25.595  17.041  -3.611
   92    HE   ARG  14           HE       ARG  14  27.510  16.412  -5.337
   93   1HH1  ARG  14          1HH2      ARG  14  25.816  15.069  -7.249
   94   2HH1  ARG  14          2HH2      ARG  14  25.258  16.330  -8.291
   95   1HH2  ARG  14          2HH1      ARG  14  26.111  18.843  -5.992
   96   2HH2  ARG  14          1HH1      ARG  14  25.437  18.548  -7.555
   97    H    GLY  15           H        GLY  15  25.154  11.570  -0.215
   98   1HA   GLY  15          2HA       GLY  15  23.519  12.918   1.866
   99   2HA   GLY  15          1HA       GLY  15  23.536  11.191   1.535
  100    H    ASN  16           H        ASN  16  26.379  13.100   1.964
  101    HA   ASN  16           HA       ASN  16  28.237  12.759   3.394
  102   1HB   ASN  16          2HB       ASN  16  26.521  14.307   4.603
  103   2HB   ASN  16          1HB       ASN  16  26.083  12.886   5.537
  104   1HD2  ASN  16          2HD2      ASN  16  29.842  14.363   6.193
  105   2HD2  ASN  16          1HD2      ASN  16  29.228  14.495   4.615
  106    H    THR  17           H        THR  17  27.106  10.187   2.530
  107    HA   THR  17           HA       THR  17  27.282   8.507   4.953
  108    HB   THR  17           HB       THR  17  25.537   7.961   3.233
  109    HG1  THR  17           HG1      THR  17  25.991   5.864   3.457
  110   1HG2  THR  17          2HG2      THR  17  26.885   8.614   1.145
  111   2HG2  THR  17          1HG2      THR  17  27.903   7.214   1.430
  112   3HG2  THR  17          3HG2      THR  17  26.198   7.014   1.064
  113    H    LEU  18           H        LEU  18  28.782   6.769   5.058
  114    HA   LEU  18           HA       LEU  18  31.259   6.904   3.425
  115   1HB   LEU  18          2HB       LEU  18  31.083   7.329   6.417
  116   2HB   LEU  18          1HB       LEU  18  32.583   6.938   5.643
  117    HG   LEU  18           HG       LEU  18  30.875   9.420   5.035
  118   1HD1  LEU  18          2HD1      LEU  18  33.507   9.143   6.554
  119   2HD1  LEU  18          1HD1      LEU  18  32.711  10.662   6.187
  120   3HD1  LEU  18          3HD1      LEU  18  31.950   9.510   7.267
  121   1HD2  LEU  18          2HD2      LEU  18  33.694   8.715   4.029
  122   2HD2  LEU  18          1HD2      LEU  18  32.252   8.707   3.047
  123   3HD2  LEU  18          3HD2      LEU  18  32.831  10.206   3.725
  124    H    SER  19           H        SER  19  29.523   4.803   3.241
  125    HA   SER  19           HA       SER  19  30.485   2.701   5.111
  126   1HB   SER  19          2HB       SER  19  28.053   2.714   4.471
  127   2HB   SER  19          1HB       SER  19  28.514   2.465   2.784
  128    HG   SER  19           HG       SER  19  29.569   0.593   3.367
  129    H    GLY  20           H        GLY  20  32.647   3.505   3.918
  130   1HA   GLY  20          2HA       GLY  20  33.571   1.176   2.392
  131   2HA   GLY  20          1HA       GLY  20  33.399   2.588   1.396
  132    H    ILE  21           H        ILE  21  35.751   0.964   3.266
  133    HA   ILE  21           HA       ILE  21  37.165   3.603   3.739
  134    HB   ILE  21           HB       ILE  21  38.040   0.818   4.566
  135   1HG1  ILE  21          2HG1      ILE  21  35.880   1.229   5.746
  136   2HG1  ILE  21          1HG1      ILE  21  37.160   1.393   6.912
  137   1HG2  ILE  21          2HG2      ILE  21  38.936   3.514   5.560
  138   2HG2  ILE  21          1HG2      ILE  21  39.453   1.966   6.216
  139   3HG2  ILE  21          3HG2      ILE  21  39.840   2.388   4.559
  140   1HD1  ILE  21          1HD1      ILE  21  37.078   3.901   6.621
  141   2HD1  ILE  21          3HD1      ILE  21  35.749   3.705   5.489
  142   3HD1  ILE  21          2HD1      ILE  21  35.543   3.247   7.167
  143    H    LEU  22           H        LEU  22  38.786   4.111   2.262
  144    HA   LEU  22           HA       LEU  22  39.079   2.480  -0.088
  145   1HB   LEU  22          2HB       LEU  22  40.879   3.991  -0.770
  146   2HB   LEU  22          1HB       LEU  22  39.507   4.875  -0.183
  147    HG   LEU  22           HG       LEU  22  40.705   5.380   1.930
  148   1HD1  LEU  22          2HD1      LEU  22  43.118   4.086   0.575
  149   2HD1  LEU  22          1HD1      LEU  22  43.192   5.031   2.043
  150   3HD1  LEU  22          3HD1      LEU  22  42.377   3.498   2.045
  151   1HD2  LEU  22          3HD2      LEU  22  42.182   6.061  -0.666
  152   2HD2  LEU  22          2HD2      LEU  22  40.787   6.913  -0.035
  153   3HD2  LEU  22          1HD2      LEU  22  42.320   7.000   0.812
  154    H    TRP  23           H        TRP  23  41.038   1.320  -0.737
  155    HA   TRP  23           HA       TRP  23  42.746   0.478   1.478
  156   1HB   TRP  23          2HB       TRP  23  40.802  -1.250   0.004
  157   2HB   TRP  23          1HB       TRP  23  42.392  -1.967   0.222
  158    HD1  TRP  23           HD1      TRP  23  39.368  -1.044   2.323
  159    HE1  TRP  23           HE1      TRP  23  39.901  -1.393   4.754
  160    HE3  TRP  23           HE3      TRP  23  44.226  -1.734   1.758
  161    HZ2  TRP  23           HZ2      TRP  23  42.217  -1.838   6.284
  162    HZ3  TRP  23           HZ3      TRP  23  45.713  -2.063   3.678
  163    HH2  TRP  23           HH2      TRP  23  44.700  -2.140   6.004
  164    H    PHE  24           H        PHE  24  44.544   0.057   1.230
  165    HA   PHE  24           HA       PHE  24  45.856   0.553  -1.315
  166   1HB   PHE  24          2HB       PHE  24  46.411   0.729   1.616
  167   2HB   PHE  24          1HB       PHE  24  47.826   0.303   0.740
  168    HD1  PHE  24           HD1      PHE  24  44.847   2.522  -0.080
  169    HD2  PHE  24           HD2      PHE  24  49.066   2.364   0.521
  170    HE1  PHE  24           HE1      PHE  24  45.015   4.888  -0.663
  171    HE2  PHE  24           HE2      PHE  24  49.224   4.747  -0.058
  172    HZ   PHE  24           HZ       PHE  24  47.197   6.012  -0.649
  173    H    TYR  25           H        TYR  25  44.704  -1.990  -1.401
  174    HA   TYR  25           HA       TYR  25  47.108  -3.678  -1.361
  175   1HB   TYR  25          2HB       TYR  25  44.340  -4.308  -0.491
  176   2HB   TYR  25          1HB       TYR  25  45.015  -5.520  -1.545
  177    HD1  TYR  25           HD1      TYR  25  47.202  -3.509   0.624
  178    HD2  TYR  25           HD2      TYR  25  45.109  -7.171   0.212
  179    HE1  TYR  25           HE1      TYR  25  48.496  -4.447   2.491
  180    HE2  TYR  25           HE2      TYR  25  46.406  -8.127   2.066
  181    HH   TYR  25           HH       TYR  25  47.668  -7.267   4.085
  182    HA   PRO  26           HA       PRO  26  46.658  -3.469  -5.545
  183   1HB   PRO  26          2HB       PRO  26  48.539  -5.345  -6.376
  184   2HB   PRO  26          1HB       PRO  26  49.031  -3.815  -5.638
  185   1HG   PRO  26          2HG       PRO  26  48.516  -6.498  -4.213
  186   2HG   PRO  26          1HG       PRO  26  49.969  -5.498  -4.128
  187   1HD   PRO  26          2HD       PRO  26  48.071  -5.189  -2.210
  188   2HD   PRO  26          1HD       PRO  26  48.783  -3.705  -2.870
  189    H    SER  27           H        SER  27  46.269  -6.376  -3.765
  190    HA   SER  27           HA       SER  27  44.947  -7.911  -5.856
  191   1HB   SER  27          2HB       SER  27  44.589  -9.433  -3.723
  192   2HB   SER  27          1HB       SER  27  46.252  -9.190  -4.283
  193    HG   SER  27           HG       SER  27  45.224  -8.468  -1.959
  194    H    GLY  28           H        GLY  28  43.927  -5.320  -4.285
  195   1HA   GLY  28          2HA       GLY  28  41.623  -4.566  -4.542
  196   2HA   GLY  28          1HA       GLY  28  41.079  -6.229  -4.277
  197    H    CYS  29           H        CYS  29  40.105  -6.300  -2.283
  198    HA   CYS  29           HA       CYS  29  40.980  -4.531  -0.173
  199   1HB   CYS  29          2HB       CYS  29  38.969  -6.755   0.153
  200   2HB   CYS  29          1HB       CYS  29  39.084  -5.174   0.870
  201    HA   PRO  30           HA       PRO  30  43.577  -7.578   1.745
  202   1HB   PRO  30          2HB       PRO  30  44.120  -6.453   4.128
  203   2HB   PRO  30          1HB       PRO  30  44.559  -5.567   2.655
  204   1HG   PRO  30          2HG       PRO  30  41.935  -5.388   4.151
  205   2HG   PRO  30          1HG       PRO  30  43.054  -4.077   3.897
  206   1HD   PRO  30          2HD       PRO  30  41.030  -4.420   2.162
  207   2HD   PRO  30          1HD       PRO  30  42.637  -4.075   1.490
  208    H    SER  31           H        SER  31  43.745  -9.033   3.496
  209    HA   SER  31           HA       SER  31  41.600 -10.715   3.873
  210   1HB   SER  31          2HB       SER  31  44.014 -11.245   4.543
  211   2HB   SER  31          1HB       SER  31  43.733 -10.296   6.015
  212    HG   SER  31           HG       SER  31  42.646 -11.943   6.764
  213    H    GLY  32           H        GLY  32  39.743 -10.219   4.604
  214   1HA   GLY  32          2HA       GLY  32  38.352  -9.982   6.701
  215   2HA   GLY  32          1HA       GLY  32  39.441  -8.693   7.187
  216    H    TRP  33           H        TRP  33  39.146  -8.071   4.047
  217    HA   TRP  33           HA       TRP  33  36.756  -6.339   4.456
  218   1HB   TRP  33          2HB       TRP  33  39.195  -6.043   2.675
  219   2HB   TRP  33          1HB       TRP  33  37.856  -4.902   2.735
  220    HD1  TRP  33           HD1      TRP  33  40.491  -6.415   5.239
  221    HE1  TRP  33           HE1      TRP  33  40.972  -4.710   7.005
  222    HE3  TRP  33           HE3      TRP  33  37.288  -2.923   3.690
  223    HZ2  TRP  33           HZ2      TRP  33  40.120  -2.164   7.660
  224    HZ3  TRP  33           HZ3      TRP  33  37.101  -0.808   4.920
  225    HH2  TRP  33           HH2      TRP  33  38.565  -0.418   6.926
  226    H    HIS  34           H        HIS  34  35.458  -6.010   2.452
  227    HA   HIS  34           HA       HIS  34  35.847  -8.176   0.441
  228   1HB   HIS  34          2HB       HIS  34  34.596  -9.053   2.421
  229   2HB   HIS  34          1HB       HIS  34  33.301  -7.924   2.088
  230    HD1  HIS  34           HD1      HIS  34  32.409  -8.275  -0.564
  231    HD2  HIS  34           HD2      HIS  34  34.270 -11.423   1.377
  232    HE1  HIS  34           HE1      HIS  34  31.783 -10.422  -1.721
  233    H    ASN  35           H        ASN  35  36.176  -5.563  -0.051
  234    HA   ASN  35           HA       ASN  35  35.718  -3.911  -1.592
  235   1HB   ASN  35          2HB       ASN  35  35.349  -5.865  -3.142
  236   2HB   ASN  35          1HB       ASN  35  33.664  -5.877  -2.672
  237   1HD2  ASN  35          2HD2      ASN  35  34.833  -3.239  -5.444
  238   2HD2  ASN  35          1HD2      ASN  35  35.923  -4.416  -4.859
  239    H    CYS  36           H        CYS  36  34.485  -2.101  -1.996
  240    HA   CYS  36           HA       CYS  36  31.854  -1.983  -0.602
  241   1HB   CYS  36          2HB       CYS  36  32.467   0.053   0.221
  242   2HB   CYS  36          1HB       CYS  36  34.036  -0.631   0.160
  243    H    LYS  37           H        LYS  37  33.793  -0.887  -3.325
  244    HA   LYS  37           HA       LYS  37  31.254  -0.542  -4.880
  245   1HB   LYS  37          2HB       LYS  37  32.104   1.343  -6.086
  246   2HB   LYS  37          1HB       LYS  37  32.454   1.688  -4.421
  247   1HG   LYS  37          2HG       LYS  37  34.792   1.400  -4.677
  248   2HG   LYS  37          1HG       LYS  37  34.630   0.565  -6.207
  249   1HD   LYS  37          2HD       LYS  37  35.293   2.752  -6.841
  250   2HD   LYS  37          1HD       LYS  37  33.586   2.667  -7.183
  251   1HE   LYS  37          2HE       LYS  37  33.981   4.810  -6.216
  252   2HE   LYS  37          1HE       LYS  37  33.165   3.864  -4.984
  253   1HZ   LYS  37          1HZ       LYS  37  35.872   3.394  -4.728
  254   2HZ   LYS  37          3HZ       LYS  37  35.685   5.091  -4.859
  255   3HZ   LYS  37          2HZ       LYS  37  34.837   4.226  -3.657
  256    H    ALA  38           H        ALA  38  31.142  -1.852  -6.597
  257    HA   ALA  38           HA       ALA  38  33.386  -3.600  -7.259
  258   1HB   ALA  38          3HB       ALA  38  31.015  -4.434  -7.294
  259   2HB   ALA  38          2HB       ALA  38  30.638  -3.285  -8.574
  260   3HB   ALA  38          1HB       ALA  38  31.754  -4.603  -8.879
  261    H    HIS  39           H        HIS  39  34.079  -0.967  -7.646
  262    HA   HIS  39           HA       HIS  39  34.489  -0.840 -10.607
  263   1HB   HIS  39          2HB       HIS  39  34.020   1.674  -8.917
  264   2HB   HIS  39          1HB       HIS  39  33.900   1.520 -10.658
  265    HD1  HIS  39           HD1      HIS  39  32.035  -1.032 -10.523
  266    HD2  HIS  39           HD2      HIS  39  31.584   2.478  -8.336
  267    HE1  HIS  39           HE1      HIS  39  29.681  -0.809  -9.807
  268    H    GLY  40           H        GLY  40  35.664   1.375  -8.067
  269   1HA   GLY  40          2HA       GLY  40  38.386   0.260  -8.154
  270   2HA   GLY  40          1HA       GLY  40  38.214   1.864  -8.858
  271    HA   PRO  41           HA       PRO  41  38.911   3.751  -8.386
  272   1HB   PRO  41          2HB       PRO  41  40.098   5.753  -7.170
  273   2HB   PRO  41          1HB       PRO  41  38.366   5.554  -6.898
  274   1HG   PRO  41          2HG       PRO  41  40.579   4.294  -5.127
  275   2HG   PRO  41          1HG       PRO  41  39.339   5.439  -4.598
  276   1HD   PRO  41          2HD       PRO  41  38.805   2.854  -4.390
  277   2HD   PRO  41          1HD       PRO  41  37.564   3.973  -4.947
  278    H    ASN  42           H        ASN  42  41.559   4.745  -8.495
  279    HA   ASN  42           HA       ASN  42  43.086   2.246  -8.254
  280   1HB   ASN  42          2HB       ASN  42  43.121   3.592 -10.487
  281   2HB   ASN  42          1HB       ASN  42  43.925   4.895  -9.603
  282   1HD2  ASN  42          2HD2      ASN  42  46.972   3.170 -10.150
  283   2HD2  ASN  42          1HD2      ASN  42  46.172   4.666 -10.289
  284    H    ILE  43           H        ILE  43  42.375   5.068  -6.768
  285    HA   ILE  43           HA       ILE  43  44.930   5.237  -5.636
  286    HB   ILE  43           HB       ILE  43  43.992   7.265  -4.331
  287   1HG1  ILE  43          2HG1      ILE  43  41.427   6.571  -5.839
  288   2HG1  ILE  43          1HG1      ILE  43  41.649   6.390  -4.112
  289   1HG2  ILE  43          3HG2      ILE  43  45.013   7.532  -6.592
  290   2HG2  ILE  43          2HG2      ILE  43  43.469   7.192  -7.349
  291   3HG2  ILE  43          1HG2      ILE  43  43.690   8.654  -6.405
  292   1HD1  ILE  43          1HD1      ILE  43  42.046   8.836  -3.916
  293   2HD1  ILE  43          3HD1      ILE  43  41.774   9.023  -5.643
  294   3HD1  ILE  43          2HD1      ILE  43  40.475   8.476  -4.604
  295    H    GLY  44           H        GLY  44  43.386   3.073  -5.198
  296   1HA   GLY  44          2HA       GLY  44  43.706   1.521  -3.326
  297   2HA   GLY  44          1HA       GLY  44  43.276   2.792  -2.191
  298    H    TRP  45           H        TRP  45  42.210   0.184  -3.520
  299    HA   TRP  45           HA       TRP  45  39.633   0.527  -4.604
  300   1HB   TRP  45          2HB       TRP  45  40.243  -1.672  -2.613
  301   2HB   TRP  45          1HB       TRP  45  39.125  -1.736  -3.961
  302    HD1  TRP  45           HD1      TRP  45  42.869  -1.692  -3.166
  303    HE1  TRP  45           HE1      TRP  45  44.154  -2.644  -5.050
  304    HE3  TRP  45           HE3      TRP  45  39.057  -2.095  -6.443
  305    HZ2  TRP  45           HZ2      TRP  45  43.656  -3.440  -7.679
  306    HZ3  TRP  45           HZ3      TRP  45  39.519  -2.973  -8.712
  307    HH2  TRP  45           HH2      TRP  45  41.819  -3.646  -9.327
  308    H    CYS  46           H        CYS  46  37.558   1.114  -3.706
  309    HA   CYS  46           HA       CYS  46  37.693   1.711  -0.789
  310   1HB   CYS  46          2HB       CYS  46  36.749   3.304  -2.607
  311   2HB   CYS  46          1HB       CYS  46  35.484   2.115  -2.714
  312    H    CYS  47           H        CYS  47  37.375   0.219   0.443
  313    HA   CYS  47           HA       CYS  47  35.523  -2.002  -0.203
  314   1HB   CYS  47          2HB       CYS  47  38.236  -1.919   1.030
  315   2HB   CYS  47          1HB       CYS  47  37.243  -3.294   1.206
  316    H    LYS  48           H        LYS  48  35.393  -3.434   1.975
  317    HA   LYS  48           HA       LYS  48  35.148  -1.639   4.146
  318   1HB   LYS  48          2HB       LYS  48  33.102  -1.478   2.507
  319   2HB   LYS  48          1HB       LYS  48  32.685  -3.096   3.022
  320   1HG   LYS  48          2HG       LYS  48  31.443  -1.339   4.182
  321   2HG   LYS  48          1HG       LYS  48  32.416  -2.308   5.304
  322   1HD   LYS  48          2HD       LYS  48  34.099  -0.661   5.407
  323   2HD   LYS  48          1HD       LYS  48  33.522   0.188   4.015
  324   1HE   LYS  48          2HE       LYS  48  31.382   0.718   5.412
  325   2HE   LYS  48          1HE       LYS  48  32.254   0.094   6.802
  326   1HZ   LYS  48          1HZ       LYS  48  33.894   1.930   5.454
  327   2HZ   LYS  48          3HZ       LYS  48  32.389   2.673   5.753
  328   3HZ   LYS  48          2HZ       LYS  48  33.263   2.000   7.027
  329    H    LYS  49           H        LYS  49  34.559  -2.592   6.005
  330    HA   LYS  49           HA       LYS  49  35.815  -5.234   6.380
  331   1HB   LYS  49          2HB       LYS  49  34.793  -3.053   8.176
  332   2HB   LYS  49          1HB       LYS  49  34.860  -4.656   8.875
  333   1HG   LYS  49          2HG       LYS  49  37.212  -4.849   8.493
  334   2HG   LYS  49          1HG       LYS  49  37.226  -3.437   7.451
  335   1HD   LYS  49          2HD       LYS  49  36.878  -1.928   9.264
  336   2HD   LYS  49          1HD       LYS  49  36.320  -3.194  10.341
  337   1HE   LYS  49          2HE       LYS  49  39.154  -3.225   9.245
  338   2HE   LYS  49          1HE       LYS  49  38.747  -2.311  10.690
  339   1HZ   LYS  49          2HZ       LYS  49  37.611  -4.834  10.930
  340   2HZ   LYS  49          1HZ       LYS  49  39.215  -5.057  10.415
  341   3HZ   LYS  49          3HZ       LYS  49  38.890  -4.166  11.827
   
  No H/Q in entry =         341
  Start of MODEL   10
    1   1H    GLY   1          3H        GLY   1  43.018   6.727   6.214
    2   2H    GLY   1          2H        GLY   1  43.469   5.119   6.506
    3   3H    GLY   1          1H        GLY   1  44.053   5.925   5.125
    4   1HA   GLY   1          2HA       GLY   1  42.321   5.256   3.955
    5   2HA   GLY   1          1HA       GLY   1  41.692   4.431   5.393
    6    H    VAL   2           H        VAL   2  40.182   5.995   3.344
    7    HA   VAL   2           HA       VAL   2  38.889   7.924   5.197
    8    HB   VAL   2           HB       VAL   2  39.248   8.307   2.164
    9   1HG1  VAL   2          3HG1      VAL   2  37.247   9.457   3.071
   10   2HG1  VAL   2          2HG1      VAL   2  38.267  10.294   4.245
   11   3HG1  VAL   2          1HG1      VAL   2  38.460  10.595   2.532
   12   1HG2  VAL   2          1HG2      VAL   2  40.764   9.674   4.440
   13   2HG2  VAL   2          3HG2      VAL   2  41.459   8.524   3.315
   14   3HG2  VAL   2          2HG2      VAL   2  40.922  10.085   2.737
   15    HA   PRO   3           HA       PRO   3  35.430   5.644   3.509
   16   1HB   PRO   3          2HB       PRO   3  33.312   7.215   4.131
   17   2HB   PRO   3          1HB       PRO   3  34.244   6.351   5.389
   18   1HG   PRO   3          2HG       PRO   3  34.724   9.191   4.285
   19   2HG   PRO   3          1HG       PRO   3  34.333   8.793   5.960
   20   1HD   PRO   3          2HD       PRO   3  36.893   8.993   5.293
   21   2HD   PRO   3          1HD       PRO   3  36.421   7.600   6.271
   22    H    CYS   4           H        CYS   4  34.344   5.439   1.678
   23    HA   CYS   4           HA       CYS   4  34.141   7.850  -0.098
   24   1HB   CYS   4          2HB       CYS   4  34.800   6.579  -1.991
   25   2HB   CYS   4          1HB       CYS   4  35.911   6.058  -0.750
   26    H    LEU   5           H        LEU   5  32.481   7.729  -1.676
   27    HA   LEU   5           HA       LEU   5  29.964   6.603  -0.640
   28   1HB   LEU   5          2HB       LEU   5  30.113   8.890  -1.842
   29   2HB   LEU   5          1HB       LEU   5  30.555   8.028  -3.303
   30    HG   LEU   5           HG       LEU   5  28.288   6.690  -2.864
   31   1HD1  LEU   5          2HD1      LEU   5  27.733   9.306  -1.378
   32   2HD1  LEU   5          1HD1      LEU   5  26.543   8.091  -1.817
   33   3HD1  LEU   5          3HD1      LEU   5  27.791   7.707  -0.657
   34   1HD2  LEU   5          3HD2      LEU   5  28.334   9.545  -3.951
   35   2HD2  LEU   5          2HD2      LEU   5  28.735   8.084  -4.839
   36   3HD2  LEU   5          1HD2      LEU   5  27.097   8.345  -4.278
   37    H    CYS   6           H        CYS   6  30.742   4.371  -0.732
   38    HA   CYS   6           HA       CYS   6  31.795   3.239  -3.088
   39   1HB   CYS   6          2HB       CYS   6  30.289   1.703  -0.986
   40   2HB   CYS   6          1HB       CYS   6  31.564   1.169  -2.011
   41    H    ASP   7           H        ASP   7  30.799   1.270  -3.848
   42    HA   ASP   7           HA       ASP   7  28.730   1.921  -5.580
   43   1HB   ASP   7          2HB       ASP   7  30.204  -0.034  -5.963
   44   2HB   ASP   7          1HB       ASP   7  29.487  -0.890  -4.611
   45    H    SER   8           H        SER   8  28.210  -0.083  -2.672
   46    HA   SER   8           HA       SER   8  25.289   0.326  -3.077
   47   1HB   SER   8          2HB       SER   8  25.111  -1.183  -1.011
   48   2HB   SER   8          1HB       SER   8  25.956  -1.952  -2.365
   49    HG   SER   8           HG       SER   8  27.513  -2.138  -0.961
   50    H    ASP   9           H        ASP   9  27.584   2.223  -2.067
   51    HA   ASP   9           HA       ASP   9  26.442   3.119   0.497
   52   1HB   ASP   9          2HB       ASP   9  29.002   3.229  -0.186
   53   2HB   ASP   9          1HB       ASP   9  28.519   4.575  -1.188
   54    H    GLY  10           H        GLY  10  24.491   3.095  -1.110
   55   1HA   GLY  10          2HA       GLY  10  24.177   5.732  -2.467
   56   2HA   GLY  10          1HA       GLY  10  23.073   4.346  -2.620
   57    HA   PRO  11           HA       PRO  11  21.238   7.073   0.624
   58   1HB   PRO  11          2HB       PRO  11  18.642   6.943  -0.056
   59   2HB   PRO  11          1HB       PRO  11  19.741   7.802  -1.152
   60   1HG   PRO  11          2HG       PRO  11  18.934   4.829  -1.252
   61   2HG   PRO  11          1HG       PRO  11  18.731   6.024  -2.539
   62   1HD   PRO  11          2HD       PRO  11  20.943   4.472  -2.526
   63   2HD   PRO  11          1HD       PRO  11  21.125   6.189  -2.919
   64    H    ARG  12           H        ARG  12  22.204   4.623   1.157
   65    HA   ARG  12           HA       ARG  12  20.050   2.988   2.334
   66   1HB   ARG  12          2HB       ARG  12  22.945   2.619   1.816
   67   2HB   ARG  12          1HB       ARG  12  22.227   1.680   3.121
   68   1HG   ARG  12          2HG       ARG  12  20.416   0.911   1.594
   69   2HG   ARG  12          1HG       ARG  12  21.067   1.900   0.297
   70   1HD   ARG  12          2HD       ARG  12  21.684  -0.498   0.175
   71   2HD   ARG  12          1HD       ARG  12  23.064   0.607   0.238
   72    HE   ARG  12           HE       ARG  12  22.277  -0.313   2.876
   73   1HH1  ARG  12          2HH1      ARG  12  24.967   0.045   1.139
   74   2HH1  ARG  12          1HH1      ARG  12  25.659  -1.502   1.442
   75   1HH2  ARG  12          1HH2      ARG  12  22.659  -2.816   2.772
   76   2HH2  ARG  12          2HH2      ARG  12  24.314  -3.171   2.416
   77    HA   PRO  13           HA       PRO  13  20.255   4.730   6.367
   78   1HB   PRO  13          2HB       PRO  13  19.546   2.655   7.989
   79   2HB   PRO  13          1HB       PRO  13  18.373   3.363   6.864
   80   1HG   PRO  13          2HG       PRO  13  20.277   1.003   6.351
   81   2HG   PRO  13          1HG       PRO  13  18.511   0.989   6.230
   82   1HD   PRO  13          2HD       PRO  13  19.896   1.419   3.999
   83   2HD   PRO  13          1HD       PRO  13  18.547   2.529   4.328
   84    H    ARG  14           H        ARG  14  22.127   5.316   7.010
   85    HA   ARG  14           HA       ARG  14  24.146   5.443   8.096
   86   1HB   ARG  14          2HB       ARG  14  23.944   2.446   8.725
   87   2HB   ARG  14          1HB       ARG  14  24.832   3.712   9.536
   88   1HG   ARG  14          2HG       ARG  14  22.723   4.822  10.249
   89   2HG   ARG  14          1HG       ARG  14  21.784   3.575   9.460
   90   1HD   ARG  14          2HD       ARG  14  21.751   2.671  11.570
   91   2HD   ARG  14          1HD       ARG  14  23.282   1.976  11.070
   92    HE   ARG  14           HE       ARG  14  22.929   4.304  12.881
   93   1HH1  ARG  14          1HH2      ARG  14  25.291   4.619  11.100
   94   2HH1  ARG  14          2HH2      ARG  14  26.566   3.917  12.032
   95   1HH2  ARG  14          2HH1      ARG  14  24.300   2.272  14.162
   96   2HH2  ARG  14          1HH1      ARG  14  25.978   2.536  13.852
   97    H    GLY  15           H        GLY  15  26.139   5.425   7.172
   98   1HA   GLY  15          2HA       GLY  15  27.960   4.147   6.022
   99   2HA   GLY  15          1HA       GLY  15  26.713   3.367   5.054
  100    H    ASN  16           H        ASN  16  25.297   5.980   4.870
  101    HA   ASN  16           HA       ASN  16  25.823   6.897   2.341
  102   1HB   ASN  16          2HB       ASN  16  25.084   8.794   4.618
  103   2HB   ASN  16          1HB       ASN  16  24.878   9.066   2.896
  104   1HD2  ASN  16          2HD2      ASN  16  22.358   6.515   4.753
  105   2HD2  ASN  16          1HD2      ASN  16  23.708   7.104   5.610
  106    H    THR  17           H        THR  17  27.681   7.732   5.140
  107    HA   THR  17           HA       THR  17  29.664   9.100   3.388
  108    HB   THR  17           HB       THR  17  29.289  10.132   6.260
  109    HG1  THR  17           HG1      THR  17  27.662  11.571   4.862
  110   1HG2  THR  17          1HG2      THR  17  29.581  11.578   3.553
  111   2HG2  THR  17          3HG2      THR  17  29.742  12.327   5.138
  112   3HG2  THR  17          2HG2      THR  17  30.944  11.182   4.581
  113    H    LEU  18           H        LEU  18  29.487   6.432   4.470
  114    HA   LEU  18           HA       LEU  18  32.190   5.960   5.162
  115   1HB   LEU  18          2HB       LEU  18  30.569   6.847   7.420
  116   2HB   LEU  18          1HB       LEU  18  31.051   5.203   7.732
  117    HG   LEU  18           HG       LEU  18  33.053   7.295   6.791
  118   1HD1  LEU  18          3HD1      LEU  18  32.404   6.616   9.668
  119   2HD1  LEU  18          2HD1      LEU  18  33.732   7.627   9.114
  120   3HD1  LEU  18          1HD1      LEU  18  32.081   8.141   8.849
  121   1HD2  LEU  18          3HD2      LEU  18  33.702   4.811   6.680
  122   2HD2  LEU  18          2HD2      LEU  18  34.686   5.692   7.838
  123   3HD2  LEU  18          1HD2      LEU  18  33.356   4.690   8.389
  124    H    SER  19           H        SER  19  30.363   4.640   3.461
  125    HA   SER  19           HA       SER  19  29.819   2.058   4.815
  126   1HB   SER  19          2HB       SER  19  28.201   3.095   3.071
  127   2HB   SER  19          1HB       SER  19  29.441   2.675   1.872
  128    HG   SER  19           HG       SER  19  29.331   0.516   3.048
  129    H    GLY  20           H        GLY  20  32.581   3.318   3.407
  130   1HA   GLY  20          2HA       GLY  20  33.765   0.658   3.133
  131   2HA   GLY  20          1HA       GLY  20  33.620   1.530   1.650
  132    H    ILE  21           H        ILE  21  36.036   0.817   3.528
  133    HA   ILE  21           HA       ILE  21  37.045   3.660   3.722
  134    HB   ILE  21           HB       ILE  21  38.243   1.072   4.792
  135   1HG1  ILE  21          2HG1      ILE  21  36.186   1.835   6.069
  136   2HG1  ILE  21          1HG1      ILE  21  37.626   1.819   7.056
  137   1HG2  ILE  21          3HG2      ILE  21  39.241   3.901   5.149
  138   2HG2  ILE  21          2HG2      ILE  21  39.856   2.496   6.002
  139   3HG2  ILE  21          1HG2      ILE  21  40.025   2.599   4.263
  140   1HD1  ILE  21          3HD1      ILE  21  36.455   4.301   5.732
  141   2HD1  ILE  21          2HD1      ILE  21  36.312   3.887   7.431
  142   3HD1  ILE  21          1HD1      ILE  21  37.879   4.294   6.760
  143    H    LEU  22           H        LEU  22  38.746   4.234   2.403
  144    HA   LEU  22           HA       LEU  22  39.094   2.655   0.021
  145   1HB   LEU  22          2HB       LEU  22  40.705   4.292  -0.715
  146   2HB   LEU  22          1HB       LEU  22  39.466   5.134   0.170
  147    HG   LEU  22           HG       LEU  22  41.136   4.805   2.218
  148   1HD1  LEU  22          2HD1      LEU  22  43.036   4.701  -0.163
  149   2HD1  LEU  22          1HD1      LEU  22  43.526   4.959   1.501
  150   3HD1  LEU  22          3HD1      LEU  22  42.847   3.432   1.022
  151   1HD2  LEU  22          1HD2      LEU  22  40.448   7.004   1.213
  152   2HD2  LEU  22          3HD2      LEU  22  42.156   7.058   1.612
  153   3HD2  LEU  22          2HD2      LEU  22  41.642   6.810  -0.051
  154    H    TRP  23           H        TRP  23  40.764   1.342  -0.755
  155    HA   TRP  23           HA       TRP  23  42.764   0.542   1.221
  156   1HB   TRP  23          2HB       TRP  23  40.770  -1.248  -0.137
  157   2HB   TRP  23          1HB       TRP  23  42.370  -1.874   0.087
  158    HD1  TRP  23           HD1      TRP  23  39.338  -1.016   2.230
  159    HE1  TRP  23           HE1      TRP  23  39.928  -1.300   4.653
  160    HE3  TRP  23           HE3      TRP  23  44.214  -1.546   1.627
  161    HZ2  TRP  23           HZ2      TRP  23  42.234  -1.622   6.158
  162    HZ3  TRP  23           HZ3      TRP  23  45.725  -1.789   3.558
  163    HH2  TRP  23           HH2      TRP  23  44.722  -1.849   5.881
  164    H    PHE  24           H        PHE  24  44.488   0.212   0.869
  165    HA   PHE  24           HA       PHE  24  45.812   0.532  -1.710
  166   1HB   PHE  24          2HB       PHE  24  46.357   0.907   1.205
  167   2HB   PHE  24          1HB       PHE  24  47.751   0.326   0.391
  168    HD1  PHE  24           HD1      PHE  24  45.016   2.649  -0.786
  169    HD2  PHE  24           HD2      PHE  24  49.135   2.294   0.248
  170    HE1  PHE  24           HE1      PHE  24  45.391   4.951  -1.479
  171    HE2  PHE  24           HE2      PHE  24  49.512   4.616  -0.449
  172    HZ   PHE  24           HZ       PHE  24  47.636   5.955  -1.320
  173    H    TYR  25           H        TYR  25  44.609  -1.818  -1.825
  174    HA   TYR  25           HA       TYR  25  46.816  -3.735  -1.424
  175   1HB   TYR  25          2HB       TYR  25  44.004  -3.935  -0.589
  176   2HB   TYR  25          1HB       TYR  25  44.549  -5.352  -1.461
  177    HD1  TYR  25           HD2      TYR  25  45.672  -3.046   1.315
  178    HD2  TYR  25           HD1      TYR  25  45.811  -6.926  -0.403
  179    HE1  TYR  25           HE2      TYR  25  46.900  -3.867   3.280
  180    HE2  TYR  25           HE1      TYR  25  47.029  -7.751   1.563
  181    HH   TYR  25           HH       TYR  25  48.549  -6.716   3.419
  182    HA   PRO  26           HA       PRO  26  46.500  -4.081  -5.794
  183   1HB   PRO  26          2HB       PRO  26  48.279  -6.133  -6.218
  184   2HB   PRO  26          1HB       PRO  26  48.843  -4.532  -5.721
  185   1HG   PRO  26          2HG       PRO  26  48.148  -6.918  -3.902
  186   2HG   PRO  26          1HG       PRO  26  49.659  -6.005  -3.942
  187   1HD   PRO  26          2HD       PRO  26  47.771  -5.294  -2.137
  188   2HD   PRO  26          1HD       PRO  26  48.558  -3.967  -3.012
  189    H    SER  27           H        SER  27  45.685  -6.441  -3.545
  190    HA   SER  27           HA       SER  27  44.408  -8.301  -5.414
  191   1HB   SER  27          2HB       SER  27  43.759  -9.358  -3.108
  192   2HB   SER  27          1HB       SER  27  45.501  -9.276  -3.453
  193    HG   SER  27           HG       SER  27  43.993  -7.810  -1.641
  194    H    GLY  28           H        GLY  28  43.618  -5.401  -4.024
  195   1HA   GLY  28          2HA       GLY  28  41.428  -4.416  -4.625
  196   2HA   GLY  28          1HA       GLY  28  40.674  -5.942  -4.160
  197    H    CYS  29           H        CYS  29  40.532  -6.503  -2.031
  198    HA   CYS  29           HA       CYS  29  41.116  -4.403  -0.079
  199   1HB   CYS  29          2HB       CYS  29  39.474  -6.883   0.421
  200   2HB   CYS  29          1HB       CYS  29  39.453  -5.311   1.126
  201    HA   PRO  30           HA       PRO  30  43.618  -7.492   2.132
  202   1HB   PRO  30          2HB       PRO  30  43.934  -6.364   4.499
  203   2HB   PRO  30          1HB       PRO  30  44.540  -5.523   3.063
  204   1HG   PRO  30          2HG       PRO  30  41.810  -5.208   4.320
  205   2HG   PRO  30          1HG       PRO  30  42.982  -3.949   4.142
  206   1HD   PRO  30          2HD       PRO  30  41.037  -4.355   2.274
  207   2HD   PRO  30          1HD       PRO  30  42.655  -3.884   1.747
  208    H    SER  31           H        SER  31  43.528  -8.791   4.049
  209    HA   SER  31           HA       SER  31  41.228 -10.350   4.216
  210   1HB   SER  31          2HB       SER  31  43.526 -11.152   4.917
  211   2HB   SER  31          1HB       SER  31  43.418 -10.121   6.355
  212    HG   SER  31           HG       SER  31  42.161 -11.590   7.197
  213    H    GLY  32           H        GLY  32  39.523 -10.121   5.169
  214   1HA   GLY  32          2HA       GLY  32  38.071  -9.696   7.139
  215   2HA   GLY  32          1HA       GLY  32  39.150  -8.386   7.593
  216    H    TRP  33           H        TRP  33  38.939  -7.997   4.426
  217    HA   TRP  33           HA       TRP  33  36.576  -6.211   4.565
  218   1HB   TRP  33          2HB       TRP  33  39.094  -6.084   2.902
  219   2HB   TRP  33          1HB       TRP  33  37.834  -4.895   2.814
  220    HD1  TRP  33           HD1      TRP  33  40.367  -6.282   5.455
  221    HE1  TRP  33           HE1      TRP  33  40.886  -4.460   7.091
  222    HE3  TRP  33           HE3      TRP  33  37.216  -2.807   3.688
  223    HZ2  TRP  33           HZ2      TRP  33  40.114  -1.873   7.566
  224    HZ3  TRP  33           HZ3      TRP  33  37.106  -0.601   4.770
  225    HH2  TRP  33           HH2      TRP  33  38.608  -0.133   6.741
  226    H    HIS  34           H        HIS  34  35.300  -6.172   2.659
  227    HA   HIS  34           HA       HIS  34  35.812  -8.368   0.696
  228   1HB   HIS  34          2HB       HIS  34  34.430  -9.198   2.627
  229   2HB   HIS  34          1HB       HIS  34  33.224  -7.981   2.253
  230    HD1  HIS  34           HD1      HIS  34  34.717 -11.117   0.827
  231    HD2  HIS  34           HD2      HIS  34  31.548  -8.516   0.171
  232    HE1  HIS  34           HE1      HIS  34  33.175 -12.125  -0.858
  233    H    ASN  35           H        ASN  35  36.254  -5.791   0.350
  234    HA   ASN  35           HA       ASN  35  35.961  -3.985  -1.040
  235   1HB   ASN  35          2HB       ASN  35  35.995  -5.842  -2.702
  236   2HB   ASN  35          1HB       ASN  35  34.235  -5.891  -2.632
  237   1HD2  ASN  35          2HD2      ASN  35  35.999  -2.892  -4.708
  238   2HD2  ASN  35          1HD2      ASN  35  36.985  -3.974  -3.837
  239    H    CYS  36           H        CYS  36  34.744  -2.228  -1.553
  240    HA   CYS  36           HA       CYS  36  31.924  -2.189  -0.598
  241   1HB   CYS  36          2HB       CYS  36  32.334  -0.271   0.434
  242   2HB   CYS  36          1HB       CYS  36  33.886  -0.971   0.629
  243    H    LYS  37           H        LYS  37  34.368  -1.136  -2.881
  244    HA   LYS  37           HA       LYS  37  32.254  -0.629  -4.909
  245   1HB   LYS  37          2HB       LYS  37  32.917   1.559  -3.920
  246   2HB   LYS  37          1HB       LYS  37  34.580   1.262  -4.386
  247   1HG   LYS  37          2HG       LYS  37  34.191   1.655  -6.624
  248   2HG   LYS  37          1HG       LYS  37  32.612   0.900  -6.612
  249   1HD   LYS  37          2HD       LYS  37  32.346   3.261  -7.064
  250   2HD   LYS  37          1HD       LYS  37  31.665   2.910  -5.493
  251   1HE   LYS  37          2HE       LYS  37  33.844   3.725  -4.453
  252   2HE   LYS  37          1HE       LYS  37  34.359   4.212  -6.064
  253   1HZ   LYS  37          3HZ       LYS  37  31.756   5.157  -5.619
  254   2HZ   LYS  37          2HZ       LYS  37  32.667   5.536  -4.279
  255   3HZ   LYS  37          1HZ       LYS  37  33.183   6.067  -5.823
  256    H    ALA  38           H        ALA  38  32.604  -1.737  -6.545
  257    HA   ALA  38           HA       ALA  38  35.260  -2.879  -7.229
  258   1HB   ALA  38          1HB       ALA  38  33.253  -4.424  -7.095
  259   2HB   ALA  38          3HB       ALA  38  32.468  -3.467  -8.345
  260   3HB   ALA  38          2HB       ALA  38  33.930  -4.367  -8.720
  261    H    HIS  39           H        HIS  39  34.224  -0.053  -7.549
  262    HA   HIS  39           HA       HIS  39  34.959   0.215 -10.440
  263   1HB   HIS  39          2HB       HIS  39  32.731   1.820  -9.111
  264   2HB   HIS  39          1HB       HIS  39  33.068   1.728 -10.831
  265    HD1  HIS  39           HD1      HIS  39  33.226  -1.398 -10.994
  266    HD2  HIS  39           HD2      HIS  39  30.367   0.774  -8.872
  267    HE1  HIS  39           HE1      HIS  39  31.224  -2.780 -10.675
  268    H    GLY  40           H        GLY  40  37.012   0.587  -9.136
  269   1HA   GLY  40          2HA       GLY  40  38.684   2.239  -8.798
  270   2HA   GLY  40          1HA       GLY  40  37.432   3.499  -8.881
  271    HA   PRO  41           HA       PRO  41  38.994   5.016  -7.357
  272   1HB   PRO  41          2HB       PRO  41  41.046   5.270  -5.521
  273   2HB   PRO  41          1HB       PRO  41  39.398   5.790  -5.135
  274   1HG   PRO  41          2HG       PRO  41  40.562   2.952  -4.727
  275   2HG   PRO  41          1HG       PRO  41  39.983   4.017  -3.443
  276   1HD   PRO  41          2HD       PRO  41  38.165   2.397  -4.385
  277   2HD   PRO  41          1HD       PRO  41  37.731   4.107  -4.429
  278    H    ASN  42           H        ASN  42  41.337   5.435  -8.031
  279    HA   ASN  42           HA       ASN  42  42.393   3.015  -9.313
  280   1HB   ASN  42          2HB       ASN  42  41.988   5.008 -10.818
  281   2HB   ASN  42          1HB       ASN  42  42.879   6.037  -9.707
  282   1HD2  ASN  42          2HD2      ASN  42  45.064   3.488 -12.028
  283   2HD2  ASN  42          1HD2      ASN  42  43.460   3.041 -11.693
  284    H    ILE  43           H        ILE  43  42.593   4.846  -6.637
  285    HA   ILE  43           HA       ILE  43  45.378   4.469  -6.454
  286    HB   ILE  43           HB       ILE  43  43.600   5.701  -4.233
  287   1HG1  ILE  43          2HG1      ILE  43  45.015   7.221  -6.504
  288   2HG1  ILE  43          1HG1      ILE  43  43.300   6.898  -6.507
  289   1HG2  ILE  43          2HG2      ILE  43  45.994   5.195  -3.591
  290   2HG2  ILE  43          1HG2      ILE  43  46.557   6.206  -4.899
  291   3HG2  ILE  43          3HG2      ILE  43  45.686   6.908  -3.546
  292   1HD1  ILE  43          3HD1      ILE  43  43.049   8.188  -4.369
  293   2HD1  ILE  43          2HD1      ILE  43  44.765   8.571  -4.410
  294   3HD1  ILE  43          1HD1      ILE  43  43.709   9.171  -5.665
  295    H    GLY  44           H        GLY  44  43.686   2.354  -6.500
  296   1HA   GLY  44          2HA       GLY  44  44.417   0.181  -5.319
  297   2HA   GLY  44          1HA       GLY  44  43.883   1.015  -3.855
  298    H    TRP  45           H        TRP  45  41.905   0.622  -3.340
  299    HA   TRP  45           HA       TRP  45  39.633   0.596  -5.235
  300   1HB   TRP  45          2HB       TRP  45  39.859  -1.807  -3.357
  301   2HB   TRP  45          1HB       TRP  45  38.918  -1.667  -4.838
  302    HD1  TRP  45           HD1      TRP  45  42.603  -1.971  -3.680
  303    HE1  TRP  45           HE1      TRP  45  43.981  -3.078  -5.388
  304    HE3  TRP  45           HE3      TRP  45  39.076  -2.362  -7.325
  305    HZ2  TRP  45           HZ2      TRP  45  43.708  -3.999  -7.953
  306    HZ3  TRP  45           HZ3      TRP  45  39.745  -3.419  -9.470
  307    HH2  TRP  45           HH2      TRP  45  42.064  -4.232  -9.777
  308    H    CYS  46           H        CYS  46  37.589  -0.097  -3.386
  309    HA   CYS  46           HA       CYS  46  38.189   1.270  -0.809
  310   1HB   CYS  46          2HB       CYS  46  37.082   2.860  -2.604
  311   2HB   CYS  46          1HB       CYS  46  35.707   1.786  -2.538
  312    H    CYS  47           H        CYS  47  37.569   0.014   0.673
  313    HA   CYS  47           HA       CYS  47  35.586  -2.102   0.094
  314   1HB   CYS  47          2HB       CYS  47  38.276  -2.328   1.387
  315   2HB   CYS  47          1HB       CYS  47  37.109  -3.560   1.416
  316    H    LYS  48           H        LYS  48  35.254  -3.543   2.113
  317    HA   LYS  48           HA       LYS  48  35.119  -1.853   4.374
  318   1HB   LYS  48          2HB       LYS  48  33.155  -1.309   2.869
  319   2HB   LYS  48          1HB       LYS  48  32.632  -2.974   2.998
  320   1HG   LYS  48          2HG       LYS  48  31.457  -1.430   4.552
  321   2HG   LYS  48          1HG       LYS  48  32.313  -2.726   5.384
  322   1HD   LYS  48          2HD       LYS  48  34.125  -1.319   5.948
  323   2HD   LYS  48          1HD       LYS  48  33.719  -0.145   4.779
  324   1HE   LYS  48          2HE       LYS  48  31.749   0.536   6.198
  325   2HE   LYS  48          1HE       LYS  48  32.162  -0.733   7.347
  326   1HZ   LYS  48          1HZ       LYS  48  34.464   0.788   6.893
  327   2HZ   LYS  48          3HZ       LYS  48  33.172   1.858   7.175
  328   3HZ   LYS  48          2HZ       LYS  48  33.542   0.655   8.312
  329    H    LYS  49           H        LYS  49  34.693  -2.832   6.164
  330    HA   LYS  49           HA       LYS  49  35.455  -5.683   6.262
  331   1HB   LYS  49          2HB       LYS  49  34.688  -3.765   8.505
  332   2HB   LYS  49          1HB       LYS  49  35.193  -5.423   8.775
  333   1HG   LYS  49          2HG       LYS  49  37.348  -4.866   7.521
  334   2HG   LYS  49          1HG       LYS  49  36.837  -3.184   7.534
  335   1HD   LYS  49          2HD       LYS  49  36.691  -3.264  10.038
  336   2HD   LYS  49          1HD       LYS  49  37.221  -4.941  10.008
  337   1HE   LYS  49          2HE       LYS  49  39.344  -4.181   8.842
  338   2HE   LYS  49          1HE       LYS  49  38.784  -2.522   9.091
  339   1HZ   LYS  49          3HZ       LYS  49  38.599  -3.816  11.529
  340   2HZ   LYS  49          2HZ       LYS  49  40.131  -4.168  10.886
  341   3HZ   LYS  49          1HZ       LYS  49  39.631  -2.555  11.064
   
  No H/Q in entry =         341
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  42.699   5.615   7.914
    2   2H    GLY   1          3H        GLY   1  43.129   3.975   7.864
    3   3H    GLY   1          2H        GLY   1  44.189   5.151   7.243
    4   1HA   GLY   1          2HA       GLY   1  43.247   4.994   5.251
    5   2HA   GLY   1          1HA       GLY   1  42.131   3.783   5.898
    6    H    VAL   2           H        VAL   2  41.490   5.886   3.973
    7    HA   VAL   2           HA       VAL   2  39.774   7.731   5.546
    8    HB   VAL   2           HB       VAL   2  40.238   7.617   2.538
    9   1HG1  VAL   2          2HG1      VAL   2  38.295   8.993   3.159
   10   2HG1  VAL   2          1HG1      VAL   2  39.288   9.943   4.261
   11   3HG1  VAL   2          3HG1      VAL   2  39.585   9.994   2.530
   12   1HG2  VAL   2          1HG2      VAL   2  41.774   9.271   4.605
   13   2HG2  VAL   2          3HG2      VAL   2  42.443   7.937   3.686
   14   3HG2  VAL   2          2HG2      VAL   2  41.966   9.403   2.864
   15    HA   PRO   3           HA       PRO   3  36.314   5.197   4.180
   16   1HB   PRO   3          2HB       PRO   3  34.196   6.596   4.888
   17   2HB   PRO   3          1HB       PRO   3  35.271   6.019   6.171
   18   1HG   PRO   3          2HG       PRO   3  35.392   8.748   4.748
   19   2HG   PRO   3          1HG       PRO   3  35.237   8.459   6.484
   20   1HD   PRO   3          2HD       PRO   3  37.660   8.847   5.355
   21   2HD   PRO   3          1HD       PRO   3  37.520   7.649   6.663
   22    H    CYS   4           H        CYS   4  34.908   5.097   2.391
   23    HA   CYS   4           HA       CYS   4  34.846   7.495   0.641
   24   1HB   CYS   4          2HB       CYS   4  35.321   5.593  -1.242
   25   2HB   CYS   4          1HB       CYS   4  36.612   6.481  -0.474
   26    H    LEU   5           H        LEU   5  33.452   7.121  -1.219
   27    HA   LEU   5           HA       LEU   5  30.893   5.942  -0.332
   28   1HB   LEU   5          2HB       LEU   5  30.955   8.299  -1.216
   29   2HB   LEU   5          1HB       LEU   5  31.639   7.732  -2.724
   30    HG   LEU   5           HG       LEU   5  28.939   6.638  -1.796
   31   1HD1  LEU   5          1HD1      LEU   5  28.810   9.111  -1.667
   32   2HD1  LEU   5          3HD1      LEU   5  29.398   9.246  -3.316
   33   3HD1  LEU   5          2HD1      LEU   5  27.838   8.504  -2.992
   34   1HD2  LEU   5          3HD2      LEU   5  30.071   7.238  -4.603
   35   2HD2  LEU   5          2HD2      LEU   5  30.036   5.642  -3.893
   36   3HD2  LEU   5          1HD2      LEU   5  28.542   6.455  -4.250
   37    H    CYS   6           H        CYS   6  29.923   4.333  -1.743
   38    HA   CYS   6           HA       CYS   6  31.738   3.169  -3.777
   39   1HB   CYS   6          2HB       CYS   6  30.431   1.193  -1.983
   40   2HB   CYS   6          1HB       CYS   6  31.879   1.142  -2.897
   41    H    ASP   7           H        ASP   7  30.553   0.914  -4.296
   42    HA   ASP   7           HA       ASP   7  28.230   1.661  -5.934
   43   1HB   ASP   7          2HB       ASP   7  30.039   0.183  -6.848
   44   2HB   ASP   7          1HB       ASP   7  29.730  -0.990  -5.589
   45    H    SER   8           H        SER   8  28.928  -0.933  -3.623
   46    HA   SER   8           HA       SER   8  26.094  -1.434  -3.147
   47   1HB   SER   8          2HB       SER   8  28.520  -2.397  -1.541
   48   2HB   SER   8          1HB       SER   8  26.906  -3.135  -1.600
   49    HG   SER   8           HG       SER   8  27.584  -4.068  -3.349
   50    H    ASP   9           H        ASP   9  28.321   0.723  -2.095
   51    HA   ASP   9           HA       ASP   9  27.633   1.247   0.618
   52   1HB   ASP   9          2HB       ASP   9  29.755   2.043  -0.397
   53   2HB   ASP   9          1HB       ASP   9  28.799   2.970  -1.522
   54    H    GLY  10           H        GLY  10  25.851   2.076  -2.199
   55   1HA   GLY  10          2HA       GLY  10  23.914   3.504  -0.509
   56   2HA   GLY  10          1HA       GLY  10  24.741   4.559  -1.635
   57    HA   PRO  11           HA       PRO  11  21.969   1.755  -4.341
   58   1HB   PRO  11          2HB       PRO  11  20.415  -0.168  -3.267
   59   2HB   PRO  11          1HB       PRO  11  22.147  -0.474  -3.492
   60   1HG   PRO  11          2HG       PRO  11  20.776   0.662  -0.970
   61   2HG   PRO  11          1HG       PRO  11  21.762  -0.801  -1.074
   62   1HD   PRO  11          2HD       PRO  11  22.954   1.498  -0.371
   63   2HD   PRO  11          1HD       PRO  11  23.785   0.444  -1.527
   64    H    ARG  12           H        ARG  12  21.464   4.028  -2.541
   65    HA   ARG  12           HA       ARG  12  18.596   4.403  -3.070
   66   1HB   ARG  12          2HB       ARG  12  19.896   4.390  -0.368
   67   2HB   ARG  12          1HB       ARG  12  18.638   5.579  -0.655
   68   1HG   ARG  12          2HG       ARG  12  16.980   3.991  -1.014
   69   2HG   ARG  12          1HG       ARG  12  18.080   2.743  -1.541
   70   1HD   ARG  12          2HD       ARG  12  17.269   2.095   0.535
   71   2HD   ARG  12          1HD       ARG  12  18.946   2.593   0.788
   72    HE   ARG  12           HE       ARG  12  17.486   4.882   1.355
   73   1HH1  ARG  12          1HH2      ARG  12  16.868   1.624   2.257
   74   2HH1  ARG  12          2HH2      ARG  12  16.530   1.992   3.908
   75   1HH2  ARG  12          2HH1      ARG  12  17.326   5.362   3.593
   76   2HH2  ARG  12          1HH1      ARG  12  16.788   4.122   4.668
   77    HA   PRO  13           HA       PRO  13  20.553   8.193  -4.393
   78   1HB   PRO  13          2HB       PRO  13  18.429   9.654  -5.211
   79   2HB   PRO  13          1HB       PRO  13  18.810   8.133  -6.040
   80   1HG   PRO  13          2HG       PRO  13  16.901   8.514  -3.645
   81   2HG   PRO  13          1HG       PRO  13  16.493   7.841  -5.228
   82   1HD   PRO  13          2HD       PRO  13  17.190   6.177  -3.233
   83   2HD   PRO  13          1HD       PRO  13  17.837   5.861  -4.860
   84    H    ARG  14           H        ARG  14  21.045  10.229  -3.559
   85    HA   ARG  14           HA       ARG  14  21.381  11.754  -1.858
   86   1HB   ARG  14          2HB       ARG  14  18.327  11.477  -1.639
   87   2HB   ARG  14          1HB       ARG  14  19.292  12.807  -1.035
   88   1HG   ARG  14          2HG       ARG  14  19.885  13.582  -3.193
   89   2HG   ARG  14          1HG       ARG  14  19.410  12.087  -3.974
   90   1HD   ARG  14          2HD       ARG  14  17.733  13.876  -4.370
   91   2HD   ARG  14          1HD       ARG  14  17.032  12.540  -3.463
   92    HE   ARG  14           HE       ARG  14  18.069  14.615  -1.709
   93   1HH1  ARG  14          2HH1      ARG  14  15.764  13.365  -0.763
   94   2HH1  ARG  14          1HH1      ARG  14  14.432  14.367  -1.226
   95   1HH2  ARG  14          1HH2      ARG  14  16.332  16.040  -3.664
   96   2HH2  ARG  14          2HH2      ARG  14  14.771  15.949  -2.927
   97    H    GLY  15           H        GLY  15  21.224   8.886  -1.271
   98   1HA   GLY  15          2HA       GLY  15  20.281   8.512   1.433
   99   2HA   GLY  15          1HA       GLY  15  21.348   7.410   0.567
  100    H    ASN  16           H        ASN  16  23.228   9.717   0.122
  101    HA   ASN  16           HA       ASN  16  25.251  10.410   1.122
  102   1HB   ASN  16          2HB       ASN  16  23.246  10.982   3.371
  103   2HB   ASN  16          1HB       ASN  16  24.901  11.577   3.370
  104   1HD2  ASN  16          2HD2      ASN  16  22.195  13.317   0.903
  105   2HD2  ASN  16          1HD2      ASN  16  21.761  11.870   1.682
  106    H    THR  17           H        THR  17  24.887   7.630   1.213
  107    HA   THR  17           HA       THR  17  25.629   6.752   3.905
  108    HB   THR  17           HB       THR  17  25.565   4.466   2.505
  109    HG1  THR  17           HG1      THR  17  25.457   4.953   0.489
  110   1HG2  THR  17          1HG2      THR  17  23.080   6.276   2.468
  111   2HG2  THR  17          3HG2      THR  17  23.072   4.521   2.400
  112   3HG2  THR  17          2HG2      THR  17  23.566   5.341   3.873
  113    H    LEU  18           H        LEU  18  27.595   5.806   4.376
  114    HA   LEU  18           HA       LEU  18  29.815   5.645   2.497
  115   1HB   LEU  18          2HB       LEU  18  29.770   8.050   2.827
  116   2HB   LEU  18          1HB       LEU  18  29.541   7.886   4.542
  117    HG   LEU  18           HG       LEU  18  32.106   6.669   3.630
  118   1HD1  LEU  18          3HD1      LEU  18  31.712   9.700   3.336
  119   2HD1  LEU  18          2HD1      LEU  18  33.232   8.837   3.209
  120   3HD1  LEU  18          1HD1      LEU  18  31.993   8.581   2.006
  121   1HD2  LEU  18          3HD2      LEU  18  31.357   8.858   5.649
  122   2HD2  LEU  18          2HD2      LEU  18  31.520   7.159   6.039
  123   3HD2  LEU  18          1HD2      LEU  18  32.921   8.085   5.566
  124    H    SER  19           H        SER  19  29.873   3.434   3.308
  125    HA   SER  19           HA       SER  19  30.807   3.185   6.130
  126   1HB   SER  19          2HB       SER  19  29.543   0.989   6.170
  127   2HB   SER  19          1HB       SER  19  28.464   2.379   5.955
  128    HG   SER  19           HG       SER  19  29.083   0.374   4.213
  129    H    GLY  20           H        GLY  20  32.447   3.321   3.659
  130   1HA   GLY  20          2HA       GLY  20  33.805   0.689   3.997
  131   2HA   GLY  20          1HA       GLY  20  33.522   1.338   2.376
  132    H    ILE  21           H        ILE  21  36.076   0.789   3.546
  133    HA   ILE  21           HA       ILE  21  37.211   3.569   3.725
  134    HB   ILE  21           HB       ILE  21  38.399   0.964   4.732
  135   1HG1  ILE  21          2HG1      ILE  21  36.472   1.474   6.185
  136   2HG1  ILE  21          1HG1      ILE  21  37.928   1.834   7.086
  137   1HG2  ILE  21          2HG2      ILE  21  39.388   3.777   5.213
  138   2HG2  ILE  21          1HG2      ILE  21  40.044   2.333   5.960
  139   3HG2  ILE  21          3HG2      ILE  21  40.167   2.551   4.224
  140   1HD1  ILE  21          1HD1      ILE  21  37.661   4.263   6.548
  141   2HD1  ILE  21          3HD1      ILE  21  36.172   3.869   5.697
  142   3HD1  ILE  21          2HD1      ILE  21  36.284   3.608   7.419
  143    H    LEU  22           H        LEU  22  38.936   4.012   2.360
  144    HA   LEU  22           HA       LEU  22  38.995   2.406  -0.052
  145   1HB   LEU  22          2HB       LEU  22  40.727   3.997  -0.843
  146   2HB   LEU  22          1HB       LEU  22  39.267   4.771  -0.297
  147    HG   LEU  22           HG       LEU  22  40.485   5.189   1.936
  148   1HD1  LEU  22          3HD1      LEU  22  42.925   4.638   0.178
  149   2HD1  LEU  22          2HD1      LEU  22  42.975   5.404   1.755
  150   3HD1  LEU  22          1HD1      LEU  22  42.506   3.736   1.617
  151   1HD2  LEU  22          1HD2      LEU  22  41.415   6.524  -0.651
  152   2HD2  LEU  22          3HD2      LEU  22  39.974   6.947   0.253
  153   3HD2  LEU  22          2HD2      LEU  22  41.562   7.252   0.939
  154    H    TRP  23           H        TRP  23  40.762   1.202  -0.868
  155    HA   TRP  23           HA       TRP  23  42.795   0.528   1.126
  156   1HB   TRP  23          2HB       TRP  23  40.850  -1.342  -0.189
  157   2HB   TRP  23          1HB       TRP  23  42.465  -1.933   0.097
  158    HD1  TRP  23           HD1      TRP  23  39.329  -1.262   2.109
  159    HE1  TRP  23           HE1      TRP  23  39.792  -1.370   4.562
  160    HE3  TRP  23           HE3      TRP  23  44.227  -1.288   1.723
  161    HZ2  TRP  23           HZ2      TRP  23  42.163  -1.388   6.197
  162    HZ3  TRP  23           HZ3      TRP  23  45.692  -1.275   3.688
  163    HH2  TRP  23           HH2      TRP  23  44.629  -1.349   5.981
  164    H    PHE  24           H        PHE  24  44.518   0.222   0.751
  165    HA   PHE  24           HA       PHE  24  45.796   0.628  -1.833
  166   1HB   PHE  24          2HB       PHE  24  46.322   1.025   1.065
  167   2HB   PHE  24          1HB       PHE  24  47.735   0.425   0.293
  168    HD1  PHE  24           HD1      PHE  24  45.003   2.991  -0.037
  169    HD2  PHE  24           HD2      PHE  24  49.078   2.065  -0.876
  170    HE1  PHE  24           HE1      PHE  24  45.358   5.274  -0.842
  171    HE2  PHE  24           HE2      PHE  24  49.434   4.355  -1.682
  172    HZ   PHE  24           HZ       PHE  24  47.575   5.967  -1.666
  173    H    TYR  25           H        TYR  25  44.622  -1.721  -2.010
  174    HA   TYR  25           HA       TYR  25  46.804  -3.636  -1.616
  175   1HB   TYR  25          2HB       TYR  25  43.968  -3.818  -0.774
  176   2HB   TYR  25          1HB       TYR  25  44.513  -5.245  -1.631
  177    HD1  TYR  25           HD2      TYR  25  45.749  -2.853   1.005
  178    HD2  TYR  25           HD1      TYR  25  45.694  -6.853  -0.440
  179    HE1  TYR  25           HE2      TYR  25  47.027  -3.574   2.957
  180    HE2  TYR  25           HE1      TYR  25  46.970  -7.572   1.516
  181    HH   TYR  25           HH       TYR  25  48.600  -5.503   3.528
  182    HA   PRO  26           HA       PRO  26  46.480  -4.368  -5.967
  183   1HB   PRO  26          2HB       PRO  26  48.054  -6.573  -6.151
  184   2HB   PRO  26          1HB       PRO  26  48.758  -5.013  -5.693
  185   1HG   PRO  26          2HG       PRO  26  47.705  -7.210  -3.800
  186   2HG   PRO  26          1HG       PRO  26  49.311  -6.482  -3.803
  187   1HD   PRO  26          2HD       PRO  26  47.396  -5.491  -2.162
  188   2HD   PRO  26          1HD       PRO  26  48.411  -4.297  -2.984
  189    H    SER  27           H        SER  27  45.360  -6.352  -3.534
  190    HA   SER  27           HA       SER  27  43.832  -8.186  -5.279
  191   1HB   SER  27          2HB       SER  27  43.389  -9.224  -2.908
  192   2HB   SER  27          1HB       SER  27  45.077  -9.284  -3.474
  193    HG   SER  27           HG       SER  27  43.900  -7.713  -1.522
  194    H    GLY  28           H        GLY  28  43.243  -5.263  -4.748
  195   1HA   GLY  28          2HA       GLY  28  41.136  -4.129  -4.708
  196   2HA   GLY  28          1HA       GLY  28  40.352  -5.649  -4.301
  197    H    CYS  29           H        CYS  29  40.405  -6.412  -2.211
  198    HA   CYS  29           HA       CYS  29  40.870  -4.399  -0.150
  199   1HB   CYS  29          2HB       CYS  29  39.467  -7.060   0.092
  200   2HB   CYS  29          1HB       CYS  29  39.395  -5.690   1.115
  201    HA   PRO  30           HA       PRO  30  43.591  -7.352   2.027
  202   1HB   PRO  30          2HB       PRO  30  44.024  -6.098   4.279
  203   2HB   PRO  30          1HB       PRO  30  44.467  -5.259   2.775
  204   1HG   PRO  30          2HG       PRO  30  41.812  -5.087   4.216
  205   2HG   PRO  30          1HG       PRO  30  42.878  -3.756   3.938
  206   1HD   PRO  30          2HD       PRO  30  40.851  -4.397   2.184
  207   2HD   PRO  30          1HD       PRO  30  42.384  -3.766   1.564
  208    H    SER  31           H        SER  31  43.625  -8.608   3.907
  209    HA   SER  31           HA       SER  31  41.519 -10.266   4.334
  210   1HB   SER  31          2HB       SER  31  43.772  -9.725   6.317
  211   2HB   SER  31          1HB       SER  31  42.966 -11.267   5.992
  212    HG   SER  31           HG       SER  31  44.395 -11.475   4.419
  213    H    GLY  32           H        GLY  32  39.664  -9.853   5.149
  214   1HA   GLY  32          2HA       GLY  32  38.357  -9.670   7.297
  215   2HA   GLY  32          1HA       GLY  32  39.402  -8.334   7.743
  216    H    TRP  33           H        TRP  33  38.971  -7.865   4.644
  217    HA   TRP  33           HA       TRP  33  36.641  -6.082   4.997
  218   1HB   TRP  33          2HB       TRP  33  38.975  -6.040   3.040
  219   2HB   TRP  33          1HB       TRP  33  37.713  -4.834   3.065
  220    HD1  TRP  33           HD1      TRP  33  40.496  -6.192   5.516
  221    HE1  TRP  33           HE1      TRP  33  41.061  -4.352   7.129
  222    HE3  TRP  33           HE3      TRP  33  37.157  -2.874   3.884
  223    HZ2  TRP  33           HZ2      TRP  33  40.176  -1.730   7.633
  224    HZ3  TRP  33           HZ3      TRP  33  37.009  -0.672   4.910
  225    HH2  TRP  33           HH2      TRP  33  38.531  -0.086   6.816
  226    H    HIS  34           H        HIS  34  35.377  -5.855   2.894
  227    HA   HIS  34           HA       HIS  34  35.584  -8.323   1.238
  228   1HB   HIS  34          2HB       HIS  34  34.257  -8.825   3.281
  229   2HB   HIS  34          1HB       HIS  34  33.097  -7.595   2.809
  230    HD1  HIS  34           HD1      HIS  34  34.499 -10.869   1.632
  231    HD2  HIS  34           HD2      HIS  34  31.235  -8.396   0.928
  232    HE1  HIS  34           HE1      HIS  34  32.892 -12.057   0.138
  233    H    ASN  35           H        ASN  35  36.045  -5.700   0.597
  234    HA   ASN  35           HA       ASN  35  35.734  -4.148  -1.053
  235   1HB   ASN  35          2HB       ASN  35  35.902  -6.207  -2.408
  236   2HB   ASN  35          1HB       ASN  35  34.150  -6.381  -2.339
  237   1HD2  ASN  35          2HD2      ASN  35  35.519  -3.162  -4.410
  238   2HD2  ASN  35          1HD2      ASN  35  36.359  -3.571  -2.993
  239    H    CYS  36           H        CYS  36  34.513  -2.441  -1.754
  240    HA   CYS  36           HA       CYS  36  31.629  -2.504  -1.028
  241   1HB   CYS  36          2HB       CYS  36  31.933  -0.442  -0.074
  242   2HB   CYS  36          1HB       CYS  36  33.398  -1.251   0.355
  243    H    LYS  37           H        LYS  37  34.029  -1.596  -3.391
  244    HA   LYS  37           HA       LYS  37  31.918  -1.305  -5.424
  245   1HB   LYS  37          2HB       LYS  37  33.012   0.753  -6.376
  246   2HB   LYS  37          1HB       LYS  37  32.136   1.064  -4.911
  247   1HG   LYS  37          2HG       LYS  37  33.967   1.570  -3.729
  248   2HG   LYS  37          1HG       LYS  37  35.005   0.376  -4.490
  249   1HD   LYS  37          2HD       LYS  37  35.786   2.564  -5.129
  250   2HD   LYS  37          1HD       LYS  37  35.052   1.837  -6.544
  251   1HE   LYS  37          2HE       LYS  37  32.960   3.170  -6.101
  252   2HE   LYS  37          1HE       LYS  37  33.759   3.893  -4.711
  253   1HZ   LYS  37          3HZ       LYS  37  35.455   4.095  -6.930
  254   2HZ   LYS  37          2HZ       LYS  37  33.932   4.653  -7.387
  255   3HZ   LYS  37          1HZ       LYS  37  34.702   5.335  -6.025
  256    H    ALA  38           H        ALA  38  32.642  -1.554  -7.450
  257    HA   ALA  38           HA       ALA  38  35.402  -2.639  -7.863
  258   1HB   ALA  38          1HB       ALA  38  33.525  -4.379  -8.096
  259   2HB   ALA  38          3HB       ALA  38  32.794  -3.354  -9.328
  260   3HB   ALA  38          2HB       ALA  38  34.366  -4.081  -9.613
  261    H    HIS  39           H        HIS  39  34.522   0.042  -7.802
  262    HA   HIS  39           HA       HIS  39  34.879   0.840 -10.678
  263   1HB   HIS  39          2HB       HIS  39  33.185   2.318  -8.614
  264   2HB   HIS  39          1HB       HIS  39  33.191   2.600 -10.351
  265    HD1  HIS  39           HD1      HIS  39  33.041  -0.625 -10.810
  266    HD2  HIS  39           HD2      HIS  39  30.526   1.781  -8.543
  267    HE1  HIS  39           HE1      HIS  39  30.886  -1.766 -10.535
  268    H    GLY  40           H        GLY  40  37.041   0.452  -9.456
  269   1HA   GLY  40          2HA       GLY  40  39.081   1.533  -8.906
  270   2HA   GLY  40          1HA       GLY  40  38.225   3.090  -9.029
  271    HA   PRO  41           HA       PRO  41  38.774   4.923  -7.442
  272   1HB   PRO  41          2HB       PRO  41  40.847   5.326  -5.551
  273   2HB   PRO  41          1HB       PRO  41  39.159   5.789  -5.294
  274   1HG   PRO  41          2HG       PRO  41  40.459   3.055  -4.687
  275   2HG   PRO  41          1HG       PRO  41  39.660   4.095  -3.504
  276   1HD   PRO  41          2HD       PRO  41  38.055   2.329  -4.521
  277   2HD   PRO  41          1HD       PRO  41  37.546   3.987  -4.794
  278    H    ASN  42           H        ASN  42  41.156   5.816  -7.962
  279    HA   ASN  42           HA       ASN  42  42.417   3.686  -9.544
  280   1HB   ASN  42          2HB       ASN  42  42.836   6.746  -9.516
  281   2HB   ASN  42          1HB       ASN  42  43.591   5.628 -10.637
  282   1HD2  ASN  42          2HD2      ASN  42  40.918   6.540 -12.795
  283   2HD2  ASN  42          1HD2      ASN  42  42.581   6.726 -12.498
  284    H    ILE  43           H        ILE  43  42.425   5.124  -6.631
  285    HA   ILE  43           HA       ILE  43  45.221   4.843  -6.407
  286    HB   ILE  43           HB       ILE  43  43.362   5.979  -4.215
  287   1HG1  ILE  43          2HG1      ILE  43  44.834   7.650  -6.340
  288   2HG1  ILE  43          1HG1      ILE  43  43.148   7.222  -6.496
  289   1HG2  ILE  43          3HG2      ILE  43  45.715   5.542  -3.463
  290   2HG2  ILE  43          2HG2      ILE  43  46.335   6.554  -4.749
  291   3HG2  ILE  43          1HG2      ILE  43  45.397   7.252  -3.441
  292   1HD1  ILE  43          1HD1      ILE  43  42.631   8.368  -4.345
  293   2HD1  ILE  43          3HD1      ILE  43  44.317   8.858  -4.202
  294   3HD1  ILE  43          2HD1      ILE  43  43.341   9.470  -5.517
  295    H    GLY  44           H        GLY  44  43.415   2.753  -6.445
  296   1HA   GLY  44          2HA       GLY  44  44.247   0.546  -5.379
  297   2HA   GLY  44          1HA       GLY  44  43.788   1.329  -3.855
  298    H    TRP  45           H        TRP  45  41.822   0.806  -3.270
  299    HA   TRP  45           HA       TRP  45  39.531   0.805  -5.173
  300   1HB   TRP  45          2HB       TRP  45  39.803  -1.646  -3.388
  301   2HB   TRP  45          1HB       TRP  45  38.844  -1.456  -4.856
  302    HD1  TRP  45           HD1      TRP  45  42.493  -1.835  -3.685
  303    HE1  TRP  45           HE1      TRP  45  43.909  -2.779  -5.482
  304    HE3  TRP  45           HE3      TRP  45  39.035  -1.848  -7.407
  305    HZ2  TRP  45           HZ2      TRP  45  43.666  -3.466  -8.110
  306    HZ3  TRP  45           HZ3      TRP  45  39.735  -2.698  -9.633
  307    HH2  TRP  45           HH2      TRP  45  42.052  -3.503  -9.981
  308    H    CYS  46           H        CYS  46  37.468  -0.135  -3.415
  309    HA   CYS  46           HA       CYS  46  37.954   1.148  -0.832
  310   1HB   CYS  46          2HB       CYS  46  36.807   2.845  -2.430
  311   2HB   CYS  46          1HB       CYS  46  35.550   1.661  -2.607
  312    H    CYS  47           H        CYS  47  37.278  -0.051   0.599
  313    HA   CYS  47           HA       CYS  47  35.345  -2.228   0.033
  314   1HB   CYS  47          2HB       CYS  47  37.987  -2.319   1.385
  315   2HB   CYS  47          1HB       CYS  47  36.893  -3.606   1.484
  316    H    LYS  48           H        LYS  48  35.184  -3.380   2.419
  317    HA   LYS  48           HA       LYS  48  34.987  -1.293   4.392
  318   1HB   LYS  48          2HB       LYS  48  32.789  -1.397   4.874
  319   2HB   LYS  48          1HB       LYS  48  32.824  -1.226   3.132
  320   1HG   LYS  48          2HG       LYS  48  32.291  -3.688   4.775
  321   2HG   LYS  48          1HG       LYS  48  31.213  -2.777   3.761
  322   1HD   LYS  48          2HD       LYS  48  32.966  -3.200   1.920
  323   2HD   LYS  48          1HD       LYS  48  33.627  -4.390   2.978
  324   1HE   LYS  48          2HE       LYS  48  30.753  -4.499   1.970
  325   2HE   LYS  48          1HE       LYS  48  32.025  -5.649   1.572
  326   1HZ   LYS  48          1HZ       LYS  48  31.859  -5.437   4.356
  327   2HZ   LYS  48          3HZ       LYS  48  30.289  -5.682   3.731
  328   3HZ   LYS  48          2HZ       LYS  48  31.527  -6.788   3.385
  329    H    LYS  49           H        LYS  49  34.101  -2.301   6.362
  330    HA   LYS  49           HA       LYS  49  35.543  -4.880   6.848
  331   1HB   LYS  49          2HB       LYS  49  34.135  -2.915   8.729
  332   2HB   LYS  49          1HB       LYS  49  34.906  -4.371   9.305
  333   1HG   LYS  49          2HG       LYS  49  36.674  -2.787   7.533
  334   2HG   LYS  49          1HG       LYS  49  36.124  -1.857   8.900
  335   1HD   LYS  49          2HD       LYS  49  38.253  -2.897   9.448
  336   2HD   LYS  49          1HD       LYS  49  37.014  -3.610  10.451
  337   1HE   LYS  49          2HE       LYS  49  37.893  -4.955   7.867
  338   2HE   LYS  49          1HE       LYS  49  38.788  -5.181   9.357
  339   1HZ   LYS  49          1HZ       LYS  49  36.086  -5.620   9.929
  340   2HZ   LYS  49          3HZ       LYS  49  36.490  -6.476   8.497
  341   3HZ   LYS  49          2HZ       LYS  49  37.377  -6.726   9.924
   
  No H/Q in entry =         341
  Start of MODEL   12
    1   1H    GLY   1          2H        GLY   1  41.810   4.695   7.407
    2   2H    GLY   1          1H        GLY   1  42.494   3.295   6.731
    3   3H    GLY   1          3H        GLY   1  43.495   4.583   7.217
    4   1HA   GLY   1          2HA       GLY   1  43.323   5.509   5.215
    5   2HA   GLY   1          1HA       GLY   1  42.291   4.162   4.707
    6    H    VAL   2           H        VAL   2  41.541   6.430   3.556
    7    HA   VAL   2           HA       VAL   2  39.555   7.776   5.299
    8    HB   VAL   2           HB       VAL   2  40.261   8.365   2.373
    9   1HG1  VAL   2          3HG1      VAL   2  38.119   9.373   3.121
   10   2HG1  VAL   2          2HG1      VAL   2  38.949  10.145   4.468
   11   3HG1  VAL   2          1HG1      VAL   2  39.333  10.594   2.818
   12   1HG2  VAL   2          1HG2      VAL   2  41.426   9.617   4.896
   13   2HG2  VAL   2          3HG2      VAL   2  42.302   8.572   3.795
   14   3HG2  VAL   2          2HG2      VAL   2  41.762  10.146   3.254
   15    HA   PRO   3           HA       PRO   3  36.307   5.394   3.244
   16   1HB   PRO   3          2HB       PRO   3  34.089   6.721   4.009
   17   2HB   PRO   3          1HB       PRO   3  35.064   5.858   5.214
   18   1HG   PRO   3          2HG       PRO   3  35.387   8.797   4.321
   19   2HG   PRO   3          1HG       PRO   3  34.998   8.265   5.955
   20   1HD   PRO   3          2HD       PRO   3  37.558   8.660   5.372
   21   2HD   PRO   3          1HD       PRO   3  37.169   7.151   6.214
   22    H    CYS   4           H        CYS   4  35.033   5.508   1.426
   23    HA   CYS   4           HA       CYS   4  34.975   8.101  -0.040
   24   1HB   CYS   4          2HB       CYS   4  35.498   6.312  -2.086
   25   2HB   CYS   4          1HB       CYS   4  36.665   7.359  -1.343
   26    H    LEU   5           H        LEU   5  33.754   7.569  -2.281
   27    HA   LEU   5           HA       LEU   5  31.117   6.619  -1.374
   28   1HB   LEU   5          2HB       LEU   5  31.332   8.810  -2.569
   29   2HB   LEU   5          1HB       LEU   5  31.945   7.971  -3.977
   30    HG   LEU   5           HG       LEU   5  29.328   6.869  -3.017
   31   1HD1  LEU   5          2HD1      LEU   5  29.460   9.695  -4.162
   32   2HD1  LEU   5          1HD1      LEU   5  27.997   8.767  -3.876
   33   3HD1  LEU   5          3HD1      LEU   5  28.983   9.279  -2.524
   34   1HD2  LEU   5          3HD2      LEU   5  30.287   7.839  -5.724
   35   2HD2  LEU   5          2HD2      LEU   5  30.390   6.193  -5.135
   36   3HD2  LEU   5          1HD2      LEU   5  28.823   6.923  -5.404
   37    H    CYS   6           H        CYS   6  30.781   4.517  -1.537
   38    HA   CYS   6           HA       CYS   6  32.087   3.002  -3.600
   39   1HB   CYS   6          2HB       CYS   6  30.132   1.806  -1.614
   40   2HB   CYS   6          1HB       CYS   6  31.513   1.094  -2.361
   41    H    ASP   7           H        ASP   7  30.808   1.107  -4.268
   42    HA   ASP   7           HA       ASP   7  29.079   1.968  -6.327
   43   1HB   ASP   7          2HB       ASP   7  30.194  -0.188  -6.544
   44   2HB   ASP   7          1HB       ASP   7  29.489  -0.782  -5.057
   45    H    SER   8           H        SER   8  28.053   0.000  -3.559
   46    HA   SER   8           HA       SER   8  25.282   0.906  -3.948
   47   1HB   SER   8          2HB       SER   8  26.522  -0.781  -1.707
   48   2HB   SER   8          1HB       SER   8  24.787  -0.533  -1.966
   49    HG   SER   8           HG       SER   8  26.274  -2.331  -3.196
   50    H    ASP   9           H        ASP   9  27.450   2.912  -3.246
   51    HA   ASP   9           HA       ASP   9  26.565   3.741  -0.536
   52   1HB   ASP   9          2HB       ASP   9  29.005   3.718  -1.089
   53   2HB   ASP   9          1HB       ASP   9  28.747   4.912  -2.325
   54    H    GLY  10           H        GLY  10  25.514   4.286  -3.598
   55   1HA   GLY  10          2HA       GLY  10  25.079   6.952  -4.055
   56   2HA   GLY  10          1HA       GLY  10  23.813   5.779  -4.341
   57    HA   PRO  11           HA       PRO  11  21.455   7.544  -1.058
   58   1HB   PRO  11          2HB       PRO  11  20.460   5.617   0.541
   59   2HB   PRO  11          1HB       PRO  11  20.144   5.514  -1.206
   60   1HG   PRO  11          2HG       PRO  11  22.504   4.255   0.327
   61   2HG   PRO  11          1HG       PRO  11  21.289   3.407  -0.639
   62   1HD   PRO  11          2HD       PRO  11  23.605   4.136  -1.794
   63   2HD   PRO  11          1HD       PRO  11  22.104   4.358  -2.712
   64    H    ARG  12           H        ARG  12  24.356   6.878  -0.395
   65    HA   ARG  12           HA       ARG  12  24.335   7.943   2.382
   66   1HB   ARG  12          2HB       ARG  12  25.620   5.476   1.309
   67   2HB   ARG  12          1HB       ARG  12  26.430   6.302   2.618
   68   1HG   ARG  12          2HG       ARG  12  24.209   6.276   3.862
   69   2HG   ARG  12          1HG       ARG  12  23.564   5.302   2.550
   70   1HD   ARG  12          2HD       ARG  12  25.264   3.585   2.953
   71   2HD   ARG  12          1HD       ARG  12  25.984   4.578   4.226
   72    HE   ARG  12           HE       ARG  12  24.293   3.797   5.661
   73   1HH1  ARG  12          2HH1      ARG  12  22.000   5.020   4.693
   74   2HH1  ARG  12          1HH1      ARG  12  21.014   3.774   4.008
   75   1HH2  ARG  12          1HH2      ARG  12  23.743   1.554   3.775
   76   2HH2  ARG  12          2HH2      ARG  12  22.049   1.721   3.461
   77    HA   PRO  13           HA       PRO  13  27.199  10.377  -0.320
   78   1HB   PRO  13          2HB       PRO  13  25.935  12.789  -0.311
   79   2HB   PRO  13          1HB       PRO  13  25.221  11.447  -1.202
   80   1HG   PRO  13          2HG       PRO  13  24.666  12.154   1.740
   81   2HG   PRO  13          1HG       PRO  13  23.503  12.175   0.409
   82   1HD   PRO  13          2HD       PRO  13  23.753   9.935   1.864
   83   2HD   PRO  13          1HD       PRO  13  23.635   9.772   0.098
   84    H    ARG  14           H        ARG  14  27.316  13.110   0.787
   85    HA   ARG  14           HA       ARG  14  29.386  12.729   2.713
   86   1HB   ARG  14          2HB       ARG  14  29.413  15.172   2.836
   87   2HB   ARG  14          1HB       ARG  14  29.116  14.705   1.175
   88   1HG   ARG  14          2HG       ARG  14  26.603  14.986   1.642
   89   2HG   ARG  14          1HG       ARG  14  27.038  15.660   3.201
   90   1HD   ARG  14          2HD       ARG  14  26.738  17.519   1.709
   91   2HD   ARG  14          1HD       ARG  14  28.476  17.363   1.948
   92    HE   ARG  14           HE       ARG  14  28.310  15.909  -0.251
   93   1HH1  ARG  14          1HH2      ARG  14  25.412  16.921  -0.332
   94   2HH1  ARG  14          2HH2      ARG  14  25.526  18.183  -1.513
   95   1HH2  ARG  14          2HH1      ARG  14  29.042  18.241  -1.320
   96   2HH2  ARG  14          1HH1      ARG  14  27.673  18.952  -2.095
   97    H    GLY  15           H        GLY  15  28.860  14.688   4.669
   98   1HA   GLY  15          2HA       GLY  15  27.593  15.070   6.676
   99   2HA   GLY  15          1HA       GLY  15  26.458  13.828   6.159
  100    H    ASN  16           H        ASN  16  29.864  13.359   6.241
  101    HA   ASN  16           HA       ASN  16  31.276  11.913   7.448
  102   1HB   ASN  16          2HB       ASN  16  30.395  13.419   9.390
  103   2HB   ASN  16          1HB       ASN  16  29.247  12.131   9.724
  104   1HD2  ASN  16          2HD2      ASN  16  31.763   9.918  10.986
  105   2HD2  ASN  16          1HD2      ASN  16  30.226   9.944  10.249
  106    H    THR  17           H        THR  17  29.796  10.687   5.685
  107    HA   THR  17           HA       THR  17  28.450   8.367   6.926
  108    HB   THR  17           HB       THR  17  28.642   9.089   3.950
  109    HG1  THR  17           HG1      THR  17  27.165  10.547   4.432
  110   1HG2  THR  17          2HG2      THR  17  26.556   7.562   5.597
  111   2HG2  THR  17          1HG2      THR  17  26.524   7.863   3.870
  112   3HG2  THR  17          3HG2      THR  17  27.735   6.775   4.547
  113    H    LEU  18           H        LEU  18  29.610   6.512   7.205
  114    HA   LEU  18           HA       LEU  18  31.979   6.022   5.431
  115   1HB   LEU  18          2HB       LEU  18  31.579   5.431   8.383
  116   2HB   LEU  18          1HB       LEU  18  32.733   4.542   7.423
  117    HG   LEU  18           HG       LEU  18  33.664   6.842   6.680
  118   1HD1  LEU  18          2HD1      LEU  18  32.155   7.767   9.136
  119   2HD1  LEU  18          1HD1      LEU  18  33.361   8.705   8.272
  120   3HD1  LEU  18          3HD1      LEU  18  31.856   8.298   7.492
  121   1HD2  LEU  18          1HD2      LEU  18  34.014   5.925   9.551
  122   2HD2  LEU  18          3HD2      LEU  18  34.885   5.334   8.149
  123   3HD2  LEU  18          2HD2      LEU  18  35.121   6.982   8.687
  124    H    SER  19           H        SER  19  30.726   4.971   3.965
  125    HA   SER  19           HA       SER  19  29.372   2.437   4.684
  126   1HB   SER  19          2HB       SER  19  28.432   4.215   3.045
  127   2HB   SER  19          1HB       SER  19  29.691   3.713   1.913
  128    HG   SER  19           HG       SER  19  27.360   2.502   2.500
  129    H    GLY  20           H        GLY  20  32.336   3.505   3.177
  130   1HA   GLY  20          2HA       GLY  20  33.369   0.755   3.238
  131   2HA   GLY  20          1HA       GLY  20  33.287   1.522   1.662
  132    H    ILE  21           H        ILE  21  35.667   0.751   3.554
  133    HA   ILE  21           HA       ILE  21  36.846   3.526   3.754
  134    HB   ILE  21           HB       ILE  21  38.039   0.904   4.688
  135   1HG1  ILE  21          2HG1      ILE  21  35.960   1.219   5.983
  136   2HG1  ILE  21          1HG1      ILE  21  37.317   1.571   7.021
  137   1HG2  ILE  21          1HG2      ILE  21  38.812   3.745   5.385
  138   2HG2  ILE  21          3HG2      ILE  21  39.482   2.300   6.123
  139   3HG2  ILE  21          2HG2      ILE  21  39.728   2.603   4.417
  140   1HD1  ILE  21          1HD1      ILE  21  36.986   4.020   6.626
  141   2HD1  ILE  21          3HD1      ILE  21  35.595   3.648   5.620
  142   3HD1  ILE  21          2HD1      ILE  21  35.572   3.253   7.326
  143    H    LEU  22           H        LEU  22  38.586   4.115   2.358
  144    HA   LEU  22           HA       LEU  22  38.930   2.485   0.000
  145   1HB   LEU  22          2HB       LEU  22  40.184   4.280  -0.842
  146   2HB   LEU  22          1HB       LEU  22  39.147   5.057   0.320
  147    HG   LEU  22           HG       LEU  22  41.141   4.787   1.992
  148   1HD1  LEU  22          2HD1      LEU  22  42.561   4.651  -0.731
  149   2HD1  LEU  22          1HD1      LEU  22  43.355   4.892   0.814
  150   3HD1  LEU  22          3HD1      LEU  22  42.592   3.365   0.454
  151   1HD2  LEU  22          2HD2      LEU  22  40.219   6.903   1.032
  152   2HD2  LEU  22          1HD2      LEU  22  41.970   7.029   1.182
  153   3HD2  LEU  22          3HD2      LEU  22  41.228   6.721  -0.382
  154    H    TRP  23           H        TRP  23  40.652   1.274  -0.665
  155    HA   TRP  23           HA       TRP  23  42.608   0.604   1.413
  156   1HB   TRP  23          2HB       TRP  23  40.733  -1.242   0.015
  157   2HB   TRP  23          1HB       TRP  23  42.362  -1.847   0.215
  158    HD1  TRP  23           HD1      TRP  23  39.287  -1.117   2.328
  159    HE1  TRP  23           HE1      TRP  23  39.853  -1.486   4.754
  160    HE3  TRP  23           HE3      TRP  23  44.192  -1.528   1.775
  161    HZ2  TRP  23           HZ2      TRP  23  42.142  -1.833   6.277
  162    HZ3  TRP  23           HZ3      TRP  23  45.673  -1.833   3.733
  163    HH2  TRP  23           HH2      TRP  23  44.635  -2.010   6.028
  164    H    PHE  24           H        PHE  24  44.356   0.283   1.126
  165    HA   PHE  24           HA       PHE  24  45.651   0.740  -1.431
  166   1HB   PHE  24          2HB       PHE  24  46.217   1.107   1.478
  167   2HB   PHE  24          1HB       PHE  24  47.629   0.516   0.697
  168    HD1  PHE  24           HD1      PHE  24  45.037   3.184   0.721
  169    HD2  PHE  24           HD2      PHE  24  48.865   2.066  -0.776
  170    HE1  PHE  24           HE1      PHE  24  45.401   5.478  -0.062
  171    HE2  PHE  24           HE2      PHE  24  49.227   4.365  -1.562
  172    HZ   PHE  24           HZ       PHE  24  47.493   6.078  -1.202
  173    H    TYR  25           H        TYR  25  44.590  -1.666  -1.616
  174    HA   TYR  25           HA       TYR  25  46.882  -3.487  -1.358
  175   1HB   TYR  25          2HB       TYR  25  44.036  -3.880  -0.638
  176   2HB   TYR  25          1HB       TYR  25  44.683  -5.174  -1.611
  177    HD1  TYR  25           HD2      TYR  25  45.972  -3.007   1.245
  178    HD2  TYR  25           HD1      TYR  25  45.584  -6.872  -0.485
  179    HE1  TYR  25           HE2      TYR  25  47.193  -3.981   3.145
  180    HE2  TYR  25           HE1      TYR  25  46.792  -7.847   1.414
  181    HH   TYR  25           HH       TYR  25  47.555  -7.419   3.576
  182    HA   PRO  26           HA       PRO  26  46.402  -3.847  -5.750
  183   1HB   PRO  26          2HB       PRO  26  48.320  -5.676  -6.268
  184   2HB   PRO  26          1HB       PRO  26  48.782  -4.103  -5.593
  185   1HG   PRO  26          2HG       PRO  26  48.171  -6.696  -4.030
  186   2HG   PRO  26          1HG       PRO  26  49.643  -5.729  -3.960
  187   1HD   PRO  26          2HD       PRO  26  47.623  -5.241  -2.140
  188   2HD   PRO  26          1HD       PRO  26  48.519  -3.868  -2.807
  189    H    SER  27           H        SER  27  45.941  -6.439  -3.550
  190    HA   SER  27           HA       SER  27  44.724  -8.228  -5.526
  191   1HB   SER  27          2HB       SER  27  44.373  -9.469  -3.115
  192   2HB   SER  27          1HB       SER  27  45.920  -9.516  -3.969
  193    HG   SER  27           HG       SER  27  46.645  -8.490  -2.281
  194    H    GLY  28           H        GLY  28  43.570  -5.566  -4.379
  195   1HA   GLY  28          2HA       GLY  28  41.267  -4.897  -4.559
  196   2HA   GLY  28          1HA       GLY  28  40.771  -6.568  -4.207
  197    H    CYS  29           H        CYS  29  39.879  -6.598  -2.130
  198    HA   CYS  29           HA       CYS  29  40.804  -4.673  -0.176
  199   1HB   CYS  29          2HB       CYS  29  38.856  -6.911   0.364
  200   2HB   CYS  29          1HB       CYS  29  39.010  -5.311   1.017
  201    HA   PRO  30           HA       PRO  30  43.536  -7.510   1.830
  202   1HB   PRO  30          2HB       PRO  30  44.058  -6.278   4.152
  203   2HB   PRO  30          1HB       PRO  30  44.464  -5.472   2.624
  204   1HG   PRO  30          2HG       PRO  30  41.854  -5.277   4.140
  205   2HG   PRO  30          1HG       PRO  30  42.931  -3.947   3.840
  206   1HD   PRO  30          2HD       PRO  30  40.909  -4.400   2.125
  207   2HD   PRO  30          1HD       PRO  30  42.503  -4.066   1.421
  208    H    SER  31           H        SER  31  43.834  -8.722   3.804
  209    HA   SER  31           HA       SER  31  41.904 -10.553   4.301
  210   1HB   SER  31          2HB       SER  31  43.976  -9.658   6.352
  211   2HB   SER  31          1HB       SER  31  43.416 -11.309   6.034
  212    HG   SER  31           HG       SER  31  44.911 -11.359   4.519
  213    H    GLY  32           H        GLY  32  39.879 -10.015   4.831
  214   1HA   GLY  32          2HA       GLY  32  38.420  -9.920   6.891
  215   2HA   GLY  32          1HA       GLY  32  39.424  -8.596   7.446
  216    H    TRP  33           H        TRP  33  39.069  -8.072   4.249
  217    HA   TRP  33           HA       TRP  33  36.705  -6.318   4.670
  218   1HB   TRP  33          2HB       TRP  33  39.096  -6.121   2.819
  219   2HB   TRP  33          1HB       TRP  33  37.771  -4.963   2.826
  220    HD1  TRP  33           HD1      TRP  33  40.477  -6.342   5.310
  221    HE1  TRP  33           HE1      TRP  33  40.990  -4.582   6.999
  222    HE3  TRP  33           HE3      TRP  33  37.150  -2.934   3.764
  223    HZ2  TRP  33           HZ2      TRP  33  40.118  -2.034   7.607
  224    HZ3  TRP  33           HZ3      TRP  33  36.986  -0.786   4.933
  225    HH2  TRP  33           HH2      TRP  33  38.505  -0.332   6.872
  226    H    HIS  34           H        HIS  34  35.290  -6.160   2.762
  227    HA   HIS  34           HA       HIS  34  35.658  -8.458   0.884
  228   1HB   HIS  34          2HB       HIS  34  34.375  -9.051   2.953
  229   2HB   HIS  34          1HB       HIS  34  33.131  -7.906   2.499
  230    HD1  HIS  34           HD1      HIS  34  33.225  -8.898  -0.610
  231    HD2  HIS  34           HD2      HIS  34  32.723 -11.220   2.788
  232    HE1  HIS  34           HE1      HIS  34  32.104 -11.045  -1.244
  233    H    ASN  35           H        ASN  35  35.974  -5.665   0.470
  234    HA   ASN  35           HA       ASN  35  35.632  -4.117  -1.213
  235   1HB   ASN  35          2HB       ASN  35  35.667  -5.800  -2.849
  236   2HB   ASN  35          1HB       ASN  35  34.129  -6.485  -2.381
  237   1HD2  ASN  35          2HD2      ASN  35  32.265  -3.912  -4.122
  238   2HD2  ASN  35          1HD2      ASN  35  32.208  -4.697  -2.616
  239    H    CYS  36           H        CYS  36  34.484  -2.330  -1.540
  240    HA   CYS  36           HA       CYS  36  31.671  -2.273  -0.588
  241   1HB   CYS  36          2HB       CYS  36  32.132  -0.265   0.394
  242   2HB   CYS  36          1HB       CYS  36  33.694  -0.959   0.548
  243    H    LYS  37           H        LYS  37  34.081  -1.452  -2.999
  244    HA   LYS  37           HA       LYS  37  31.957  -1.142  -5.037
  245   1HB   LYS  37          2HB       LYS  37  32.768   0.940  -5.859
  246   2HB   LYS  37          1HB       LYS  37  32.576   1.131  -4.129
  247   1HG   LYS  37          2HG       LYS  37  35.041   0.597  -3.852
  248   2HG   LYS  37          1HG       LYS  37  35.183   0.696  -5.593
  249   1HD   LYS  37          2HD       LYS  37  34.193   2.949  -3.828
  250   2HD   LYS  37          1HD       LYS  37  35.787   2.816  -4.523
  251   1HE   LYS  37          2HE       LYS  37  34.765   2.858  -6.811
  252   2HE   LYS  37          1HE       LYS  37  33.174   3.049  -6.084
  253   1HZ   LYS  37          3HZ       LYS  37  34.904   4.921  -4.960
  254   2HZ   LYS  37          2HZ       LYS  37  35.019   5.021  -6.656
  255   3HZ   LYS  37          1HZ       LYS  37  33.503   5.166  -5.864
  256    H    ALA  38           H        ALA  38  32.525  -1.858  -6.976
  257    HA   ALA  38           HA       ALA  38  35.289  -2.933  -7.354
  258   1HB   ALA  38          2HB       ALA  38  33.452  -4.675  -7.297
  259   2HB   ALA  38          1HB       ALA  38  32.643  -3.839  -8.622
  260   3HB   ALA  38          3HB       ALA  38  34.209  -4.586  -8.886
  261    H    HIS  39           H        HIS  39  34.414  -0.280  -7.645
  262    HA   HIS  39           HA       HIS  39  34.756   0.121 -10.604
  263   1HB   HIS  39          2HB       HIS  39  33.081   1.912  -8.779
  264   2HB   HIS  39          1HB       HIS  39  33.070   1.903 -10.535
  265    HD1  HIS  39           HD1      HIS  39  32.891  -1.333 -10.511
  266    HD2  HIS  39           HD2      HIS  39  30.423   1.384  -8.561
  267    HE1  HIS  39           HE1      HIS  39  30.737  -2.408 -10.036
  268    H    GLY  40           H        GLY  40  36.916  -0.093  -9.273
  269   1HA   GLY  40          2HA       GLY  40  38.960   1.050  -8.862
  270   2HA   GLY  40          1HA       GLY  40  38.136   2.543  -9.336
  271    HA   PRO  41           HA       PRO  41  38.423   4.490  -8.471
  272   1HB   PRO  41          2HB       PRO  41  39.939   6.105  -6.818
  273   2HB   PRO  41          1HB       PRO  41  38.174   6.069  -6.762
  274   1HG   PRO  41          2HG       PRO  41  40.111   4.434  -5.052
  275   2HG   PRO  41          1HG       PRO  41  38.785   5.425  -4.475
  276   1HD   PRO  41          2HD       PRO  41  38.290   2.898  -4.720
  277   2HD   PRO  41          1HD       PRO  41  37.115   4.078  -5.334
  278    H    ASN  42           H        ASN  42  41.035   5.614  -8.663
  279    HA   ASN  42           HA       ASN  42  42.565   3.252  -9.458
  280   1HB   ASN  42          2HB       ASN  42  42.140   5.158 -11.130
  281   2HB   ASN  42          1HB       ASN  42  43.047   6.228 -10.060
  282   1HD2  ASN  42          2HD2      ASN  42  46.060   5.102 -11.517
  283   2HD2  ASN  42          1HD2      ASN  42  45.219   6.405 -10.825
  284    H    ILE  43           H        ILE  43  41.981   5.048  -6.830
  285    HA   ILE  43           HA       ILE  43  44.749   4.917  -6.163
  286    HB   ILE  43           HB       ILE  43  42.942   6.904  -4.711
  287   1HG1  ILE  43          2HG1      ILE  43  44.048   8.646  -6.385
  288   2HG1  ILE  43          1HG1      ILE  43  44.264   7.267  -7.438
  289   1HG2  ILE  43          3HG2      ILE  43  45.221   6.492  -3.791
  290   2HG2  ILE  43          2HG2      ILE  43  45.944   6.935  -5.332
  291   3HG2  ILE  43          1HG2      ILE  43  45.081   8.134  -4.381
  292   1HD1  ILE  43          1HD1      ILE  43  41.595   8.215  -6.299
  293   2HD1  ILE  43          3HD1      ILE  43  42.161   8.504  -7.934
  294   3HD1  ILE  43          2HD1      ILE  43  41.791   6.880  -7.418
  295    H    GLY  44           H        GLY  44  43.105   2.829  -5.725
  296   1HA   GLY  44          2HA       GLY  44  43.486   1.293  -3.809
  297   2HA   GLY  44          1HA       GLY  44  42.926   2.589  -2.741
  298    H    TRP  45           H        TRP  45  41.824   0.006  -3.156
  299    HA   TRP  45           HA       TRP  45  39.246   0.476  -4.619
  300   1HB   TRP  45          2HB       TRP  45  39.709  -1.946  -2.869
  301   2HB   TRP  45          1HB       TRP  45  38.708  -1.804  -4.301
  302    HD1  TRP  45           HD1      TRP  45  42.483  -1.919  -3.328
  303    HE1  TRP  45           HE1      TRP  45  43.761  -2.949  -5.161
  304    HE3  TRP  45           HE3      TRP  45  38.729  -2.359  -6.726
  305    HZ2  TRP  45           HZ2      TRP  45  43.344  -3.849  -7.708
  306    HZ3  TRP  45           HZ3      TRP  45  39.269  -3.350  -8.935
  307    HH2  TRP  45           HH2      TRP  45  41.582  -4.092  -9.420
  308    H    CYS  46           H        CYS  46  37.204   1.025  -3.445
  309    HA   CYS  46           HA       CYS  46  37.650   1.380  -0.550
  310   1HB   CYS  46          2HB       CYS  46  35.250   1.979  -2.284
  311   2HB   CYS  46          1HB       CYS  46  35.538   2.613  -0.688
  312    H    CYS  47           H        CYS  47  37.148   0.010   0.749
  313    HA   CYS  47           HA       CYS  47  35.276  -2.160   0.111
  314   1HB   CYS  47          2HB       CYS  47  37.995  -2.220   1.380
  315   2HB   CYS  47          1HB       CYS  47  36.948  -3.559   1.425
  316    H    LYS  48           H        LYS  48  35.169  -3.661   2.287
  317    HA   LYS  48           HA       LYS  48  34.918  -1.881   4.469
  318   1HB   LYS  48          2HB       LYS  48  32.909  -1.573   2.992
  319   2HB   LYS  48          1HB       LYS  48  32.566  -3.289   3.091
  320   1HG   LYS  48          2HG       LYS  48  31.194  -1.944   4.613
  321   2HG   LYS  48          1HG       LYS  48  32.212  -3.083   5.482
  322   1HD   LYS  48          2HD       LYS  48  33.785  -1.410   6.030
  323   2HD   LYS  48          1HD       LYS  48  33.210  -0.349   4.805
  324   1HE   LYS  48          2HE       LYS  48  32.522   0.319   7.212
  325   2HE   LYS  48          1HE       LYS  48  31.138   0.097   6.148
  326   1HZ   LYS  48          2HZ       LYS  48  31.779  -2.396   7.261
  327   2HZ   LYS  48          1HZ       LYS  48  31.752  -1.258   8.513
  328   3HZ   LYS  48          3HZ       LYS  48  30.398  -1.449   7.501
  329    H    LYS  49           H        LYS  49  34.589  -2.847   6.330
  330    HA   LYS  49           HA       LYS  49  35.634  -5.630   6.494
  331   1HB   LYS  49          2HB       LYS  49  34.900  -3.668   8.711
  332   2HB   LYS  49          1HB       LYS  49  35.610  -5.240   8.989
  333   1HG   LYS  49          2HG       LYS  49  37.258  -4.017   7.046
  334   2HG   LYS  49          1HG       LYS  49  36.878  -2.725   8.160
  335   1HD   LYS  49          2HD       LYS  49  38.905  -3.753   8.985
  336   2HD   LYS  49          1HD       LYS  49  37.621  -4.273  10.056
  337   1HE   LYS  49          2HE       LYS  49  37.465  -6.445   8.877
  338   2HE   LYS  49          1HE       LYS  49  38.660  -5.919   7.701
  339   1HZ   LYS  49          3HZ       LYS  49  39.715  -5.547  10.254
  340   2HZ   LYS  49          2HZ       LYS  49  39.073  -7.116  10.175
  341   3HZ   LYS  49          1HZ       LYS  49  40.238  -6.626   9.042
   
  No H/Q in entry =         341
  Start of MODEL   13
    1   1H    GLY   1          2H        GLY   1  42.311   4.951   7.439
    2   2H    GLY   1          1H        GLY   1  42.819   3.437   6.856
    3   3H    GLY   1          3H        GLY   1  43.955   4.684   7.090
    4   1HA   GLY   1          2HA       GLY   1  43.627   5.407   5.026
    5   2HA   GLY   1          1HA       GLY   1  42.455   4.098   4.784
    6    H    VAL   2           H        VAL   2  41.806   6.356   3.480
    7    HA   VAL   2           HA       VAL   2  40.015   7.922   5.259
    8    HB   VAL   2           HB       VAL   2  40.712   8.370   2.312
    9   1HG1  VAL   2          1HG1      VAL   2  39.461  10.279   4.326
   10   2HG1  VAL   2          3HG1      VAL   2  39.894  10.659   2.669
   11   3HG1  VAL   2          2HG1      VAL   2  38.621   9.506   2.988
   12   1HG2  VAL   2          1HG2      VAL   2  41.927   9.656   4.793
   13   2HG2  VAL   2          3HG2      VAL   2  42.750   8.529   3.732
   14   3HG2  VAL   2          2HG2      VAL   2  42.293  10.112   3.136
   15    HA   PRO   3           HA       PRO   3  36.588   5.553   3.564
   16   1HB   PRO   3          2HB       PRO   3  34.486   6.991   4.386
   17   2HB   PRO   3          1HB       PRO   3  35.495   6.167   5.586
   18   1HG   PRO   3          2HG       PRO   3  35.821   9.051   4.542
   19   2HG   PRO   3          1HG       PRO   3  35.543   8.557   6.219
   20   1HD   PRO   3          2HD       PRO   3  38.072   8.892   5.422
   21   2HD   PRO   3          1HD       PRO   3  37.666   7.432   6.359
   22    H    CYS   4           H        CYS   4  35.218   5.598   1.804
   23    HA   CYS   4           HA       CYS   4  34.924   8.096   0.273
   24   1HB   CYS   4          2HB       CYS   4  35.670   6.550  -1.785
   25   2HB   CYS   4          1HB       CYS   4  36.818   7.498  -0.885
   26    H    LEU   5           H        LEU   5  33.435   7.797  -1.556
   27    HA   LEU   5           HA       LEU   5  31.158   6.243  -0.743
   28   1HB   LEU   5          2HB       LEU   5  30.958   8.568  -1.629
   29   2HB   LEU   5          1HB       LEU   5  31.648   8.069  -3.156
   30    HG   LEU   5           HG       LEU   5  29.091   6.719  -2.185
   31   1HD1  LEU   5          3HD1      LEU   5  29.280   9.375  -3.700
   32   2HD1  LEU   5          2HD1      LEU   5  27.802   8.493  -3.364
   33   3HD1  LEU   5          1HD1      LEU   5  28.714   9.204  -2.049
   34   1HD2  LEU   5          2HD2      LEU   5  30.276   5.874  -4.307
   35   2HD2  LEU   5          1HD2      LEU   5  28.693   6.521  -4.624
   36   3HD2  LEU   5          3HD2      LEU   5  30.121   7.474  -4.986
   37    H    CYS   6           H        CYS   6  30.176   4.648  -2.013
   38    HA   CYS   6           HA       CYS   6  31.866   3.449  -4.140
   39   1HB   CYS   6          2HB       CYS   6  30.676   1.601  -2.151
   40   2HB   CYS   6          1HB       CYS   6  32.079   1.471  -3.141
   41    H    ASP   7           H        ASP   7  30.334   0.973  -3.980
   42    HA   ASP   7           HA       ASP   7  27.982   1.775  -5.629
   43   1HB   ASP   7          2HB       ASP   7  29.810   0.293  -6.677
   44   2HB   ASP   7          1HB       ASP   7  29.405  -0.936  -5.497
   45    H    SER   8           H        SER   8  29.071  -0.785  -3.441
   46    HA   SER   8           HA       SER   8  26.334  -1.187  -2.397
   47   1HB   SER   8          2HB       SER   8  28.870  -2.611  -1.461
   48   2HB   SER   8          1HB       SER   8  27.206  -3.220  -1.461
   49    HG   SER   8           HG       SER   8  27.360  -3.622  -3.548
   50    H    ASP   9           H        ASP   9  28.367   1.075  -1.943
   51    HA   ASP   9           HA       ASP   9  29.025   1.123   0.830
   52   1HB   ASP   9          2HB       ASP   9  30.289   2.554  -0.525
   53   2HB   ASP   9          1HB       ASP   9  28.924   3.203  -1.394
   54    H    GLY  10           H        GLY  10  26.877   0.332   1.523
   55   1HA   GLY  10          2HA       GLY  10  25.382   1.486   3.256
   56   2HA   GLY  10          1HA       GLY  10  25.018   2.626   1.982
   57    HA   PRO  11           HA       PRO  11  22.617  -1.433   0.900
   58   1HB   PRO  11          2HB       PRO  11  22.523  -3.481   2.619
   59   2HB   PRO  11          1HB       PRO  11  24.018  -3.213   1.698
   60   1HG   PRO  11          2HG       PRO  11  23.323  -2.071   4.477
   61   2HG   PRO  11          1HG       PRO  11  24.686  -3.124   4.082
   62   1HD   PRO  11          2HD       PRO  11  25.081  -0.471   4.036
   63   2HD   PRO  11          1HD       PRO  11  25.749  -1.429   2.699
   64    H    ARG  12           H        ARG  12  21.935   0.863   2.364
   65    HA   ARG  12           HA       ARG  12  19.262   0.124   3.380
   66   1HB   ARG  12          2HB       ARG  12  21.357   1.745   4.844
   67   2HB   ARG  12          1HB       ARG  12  19.663   1.841   5.267
   68   1HG   ARG  12          2HG       ARG  12  19.677  -0.695   5.551
   69   2HG   ARG  12          1HG       ARG  12  21.419  -0.646   5.300
   70   1HD   ARG  12          2HD       ARG  12  21.679   0.900   7.154
   71   2HD   ARG  12          1HD       ARG  12  19.927   0.905   7.411
   72    HE   ARG  12           HE       ARG  12  20.149  -1.190   8.517
   73   1HH1  ARG  12          2HH1      ARG  12  21.357  -2.637   6.287
   74   2HH1  ARG  12          1HH1      ARG  12  22.925  -3.069   6.874
   75   1HH2  ARG  12          1HH2      ARG  12  22.765  -0.685   9.464
   76   2HH2  ARG  12          2HH2      ARG  12  23.759  -1.904   8.752
   77    HA   PRO  13           HA       PRO  13  18.339   3.991   1.254
   78   1HB   PRO  13          2HB       PRO  13  16.152   4.983   2.535
   79   2HB   PRO  13          1HB       PRO  13  16.060   3.418   1.718
   80   1HG   PRO  13          2HG       PRO  13  16.826   3.926   4.662
   81   2HG   PRO  13          1HG       PRO  13  15.456   2.975   4.076
   82   1HD   PRO  13          2HD       PRO  13  17.750   1.695   4.598
   83   2HD   PRO  13          1HD       PRO  13  16.895   1.285   3.103
   84    H    ARG  14           H        ARG  14  17.559   6.326   2.054
   85    HA   ARG  14           HA       ARG  14  19.379   8.088   2.399
   86   1HB   ARG  14          2HB       ARG  14  17.870   9.419   3.980
   87   2HB   ARG  14          1HB       ARG  14  17.140   8.813   2.510
   88   1HG   ARG  14          2HG       ARG  14  16.238   6.836   3.838
   89   2HG   ARG  14          1HG       ARG  14  16.869   7.581   5.294
   90   1HD   ARG  14          2HD       ARG  14  15.427   9.554   4.946
   91   2HD   ARG  14          1HD       ARG  14  14.864   8.898   3.412
   92    HE   ARG  14           HE       ARG  14  13.836   7.022   4.707
   93   1HH1  ARG  14          1HH2      ARG  14  15.220   7.489   7.275
   94   2HH1  ARG  14          2HH2      ARG  14  14.017   8.296   8.222
   95   1HH2  ARG  14          2HH1      ARG  14  12.100   9.114   5.394
   96   2HH2  ARG  14          1HH1      ARG  14  12.193   9.258   7.113
   97    H    GLY  15           H        GLY  15  21.263   8.124   3.318
   98   1HA   GLY  15          2HA       GLY  15  22.437   8.898   5.416
   99   2HA   GLY  15          1HA       GLY  15  21.538   7.644   6.276
  100    H    ASN  16           H        ASN  16  21.826   6.012   3.828
  101    HA   ASN  16           HA       ASN  16  23.949   4.309   4.550
  102   1HB   ASN  16          2HB       ASN  16  23.180   3.068   2.552
  103   2HB   ASN  16          1HB       ASN  16  21.794   3.768   3.339
  104   1HD2  ASN  16          2HD2      ASN  16  22.290   4.645  -0.438
  105   2HD2  ASN  16          1HD2      ASN  16  22.865   3.241   0.345
  106    H    THR  17           H        THR  17  25.535   5.999   4.675
  107    HA   THR  17           HA       THR  17  27.230   6.129   2.257
  108    HB   THR  17           HB       THR  17  27.791   8.572   3.102
  109    HG1  THR  17           HG1      THR  17  25.724   7.809   4.766
  110   1HG2  THR  17          1HG2      THR  17  26.229   8.168   1.084
  111   2HG2  THR  17          3HG2      THR  17  24.884   8.162   2.203
  112   3HG2  THR  17          2HG2      THR  17  25.845   9.620   1.992
  113    H    LEU  18           H        LEU  18  29.534   6.766   3.061
  114    HA   LEU  18           HA       LEU  18  31.384   6.046   4.317
  115   1HB   LEU  18          2HB       LEU  18  30.569   7.995   5.686
  116   2HB   LEU  18          1HB       LEU  18  29.495   6.923   6.561
  117    HG   LEU  18           HG       LEU  18  31.325   5.816   7.714
  118   1HD1  LEU  18          1HD1      LEU  18  33.172   7.378   5.883
  119   2HD1  LEU  18          3HD1      LEU  18  33.705   6.319   7.182
  120   3HD1  LEU  18          2HD1      LEU  18  32.914   5.639   5.778
  121   1HD2  LEU  18          1HD2      LEU  18  30.824   8.115   8.563
  122   2HD2  LEU  18          3HD2      LEU  18  32.515   7.688   8.789
  123   3HD2  LEU  18          2HD2      LEU  18  32.059   8.764   7.485
  124    H    SER  19           H        SER  19  30.274   3.961   3.453
  125    HA   SER  19           HA       SER  19  30.037   2.000   5.710
  126   1HB   SER  19          2HB       SER  19  27.906   2.483   4.193
  127   2HB   SER  19          1HB       SER  19  28.807   1.624   2.944
  128    HG   SER  19           HG       SER  19  27.548   0.602   5.124
  129    H    GLY  20           H        GLY  20  32.462   2.869   4.733
  130   1HA   GLY  20          2HA       GLY  20  33.860   0.527   4.181
  131   2HA   GLY  20          1HA       GLY  20  33.515   1.240   2.613
  132    H    ILE  21           H        ILE  21  36.109   0.805   3.763
  133    HA   ILE  21           HA       ILE  21  37.099   3.646   4.045
  134    HB   ILE  21           HB       ILE  21  38.482   1.099   4.991
  135   1HG1  ILE  21          2HG1      ILE  21  36.501   1.617   6.453
  136   2HG1  ILE  21          1HG1      ILE  21  38.016   1.775   7.306
  137   1HG2  ILE  21          2HG2      ILE  21  39.285   4.005   5.355
  138   2HG2  ILE  21          1HG2      ILE  21  40.077   2.644   6.131
  139   3HG2  ILE  21          3HG2      ILE  21  40.112   2.799   4.390
  140   1HD1  ILE  21          1HD1      ILE  21  36.479   4.102   6.106
  141   2HD1  ILE  21          3HD1      ILE  21  36.494   3.678   7.808
  142   3HD1  ILE  21          2HD1      ILE  21  37.964   4.242   7.034
  143    H    LEU  22           H        LEU  22  38.886   4.235   2.599
  144    HA   LEU  22           HA       LEU  22  39.025   2.621   0.211
  145   1HB   LEU  22          2HB       LEU  22  40.630   4.214  -0.645
  146   2HB   LEU  22          1HB       LEU  22  39.450   5.104   0.268
  147    HG   LEU  22           HG       LEU  22  41.077   5.047   2.226
  148   1HD1  LEU  22          3HD1      LEU  22  43.081   4.442  -0.003
  149   2HD1  LEU  22          2HD1      LEU  22  43.506   4.971   1.612
  150   3HD1  LEU  22          1HD1      LEU  22  42.791   3.405   1.378
  151   1HD2  LEU  22          1HD2      LEU  22  40.556   7.041   0.795
  152   2HD2  LEU  22          3HD2      LEU  22  42.262   7.097   1.229
  153   3HD2  LEU  22          2HD2      LEU  22  41.764   6.545  -0.364
  154    H    TRP  23           H        TRP  23  40.831   1.345  -0.527
  155    HA   TRP  23           HA       TRP  23  42.718   0.590   1.582
  156   1HB   TRP  23          2HB       TRP  23  40.747  -1.183   0.220
  157   2HB   TRP  23          1HB       TRP  23  42.356  -1.875   0.349
  158    HD1  TRP  23           HD1      TRP  23  39.389  -0.946   2.558
  159    HE1  TRP  23           HE1      TRP  23  39.991  -1.326   4.974
  160    HE3  TRP  23           HE3      TRP  23  44.228  -1.757   1.901
  161    HZ2  TRP  23           HZ2      TRP  23  42.236  -1.836   6.439
  162    HZ3  TRP  23           HZ3      TRP  23  45.714  -2.182   3.853
  163    HH2  TRP  23           HH2      TRP  23  44.704  -2.236   6.158
  164    H    PHE  24           H        PHE  24  44.437   0.032   1.280
  165    HA   PHE  24           HA       PHE  24  45.857   0.580  -1.186
  166   1HB   PHE  24          2HB       PHE  24  46.405   0.498   1.776
  167   2HB   PHE  24          1HB       PHE  24  47.788   0.064   0.853
  168    HD1  PHE  24           HD1      PHE  24  45.221   2.606  -0.203
  169    HD2  PHE  24           HD2      PHE  24  49.116   1.965   1.424
  170    HE1  PHE  24           HE1      PHE  24  45.722   4.979  -0.454
  171    HE2  PHE  24           HE2      PHE  24  49.614   4.355   1.171
  172    HZ   PHE  24           HZ       PHE  24  47.914   5.871   0.228
  173    H    TYR  25           H        TYR  25  44.546  -1.988  -1.232
  174    HA   TYR  25           HA       TYR  25  46.913  -3.770  -1.215
  175   1HB   TYR  25          2HB       TYR  25  44.071  -4.215  -0.514
  176   2HB   TYR  25          1HB       TYR  25  44.732  -5.469  -1.542
  177    HD1  TYR  25           HD1      TYR  25  46.747  -3.464   0.788
  178    HD2  TYR  25           HD2      TYR  25  44.789  -7.176   0.167
  179    HE1  TYR  25           HE1      TYR  25  47.891  -4.377   2.764
  180    HE2  TYR  25           HE2      TYR  25  45.944  -8.109   2.127
  181    HH   TYR  25           HH       TYR  25  48.441  -6.398   3.826
  182    HA   PRO  26           HA       PRO  26  46.483  -2.921  -5.382
  183   1HB   PRO  26          2HB       PRO  26  48.521  -4.515  -6.455
  184   2HB   PRO  26          1HB       PRO  26  48.847  -3.007  -5.581
  185   1HG   PRO  26          2HG       PRO  26  48.648  -5.842  -4.393
  186   2HG   PRO  26          1HG       PRO  26  50.018  -4.731  -4.268
  187   1HD   PRO  26          2HD       PRO  26  48.228  -4.745  -2.264
  188   2HD   PRO  26          1HD       PRO  26  48.693  -3.142  -2.872
  189    H    SER  27           H        SER  27  46.150  -5.925  -3.884
  190    HA   SER  27           HA       SER  27  45.004  -7.338  -6.185
  191   1HB   SER  27          2HB       SER  27  44.765  -9.083  -4.136
  192   2HB   SER  27          1HB       SER  27  46.338  -8.802  -4.904
  193    HG   SER  27           HG       SER  27  46.865  -8.170  -2.935
  194    H    GLY  28           H        GLY  28  43.779  -5.082  -4.134
  195   1HA   GLY  28          2HA       GLY  28  41.323  -4.655  -4.479
  196   2HA   GLY  28          1HA       GLY  28  41.064  -6.358  -4.107
  197    H    CYS  29           H        CYS  29  40.128  -6.414  -2.072
  198    HA   CYS  29           HA       CYS  29  40.967  -4.474  -0.057
  199   1HB   CYS  29          2HB       CYS  29  38.887  -6.624   0.279
  200   2HB   CYS  29          1HB       CYS  29  39.063  -5.062   1.003
  201    HA   PRO  30           HA       PRO  30  43.380  -7.562   1.994
  202   1HB   PRO  30          2HB       PRO  30  43.851  -6.488   4.397
  203   2HB   PRO  30          1HB       PRO  30  44.349  -5.567   2.964
  204   1HG   PRO  30          2HG       PRO  30  41.661  -5.443   4.343
  205   2HG   PRO  30          1HG       PRO  30  42.786  -4.118   4.230
  206   1HD   PRO  30          2HD       PRO  30  40.870  -4.365   2.345
  207   2HD   PRO  30          1HD       PRO  30  42.523  -4.031   1.775
  208    H    SER  31           H        SER  31  43.434  -9.005   3.699
  209    HA   SER  31           HA       SER  31  41.264 -10.672   3.982
  210   1HB   SER  31          2HB       SER  31  43.631 -11.278   4.642
  211   2HB   SER  31          1HB       SER  31  43.433 -10.297   6.104
  212    HG   SER  31           HG       SER  31  42.306 -11.870   6.923
  213    H    GLY  32           H        GLY  32  39.388 -10.156   4.664
  214   1HA   GLY  32          2HA       GLY  32  37.914  -9.985   6.700
  215   2HA   GLY  32          1HA       GLY  32  39.006  -8.735   7.290
  216    H    TRP  33           H        TRP  33  38.866  -8.108   4.142
  217    HA   TRP  33           HA       TRP  33  36.518  -6.327   4.363
  218   1HB   TRP  33          2HB       TRP  33  39.104  -5.998   2.810
  219   2HB   TRP  33          1HB       TRP  33  37.789  -4.838   2.838
  220    HD1  TRP  33           HD1      TRP  33  40.186  -6.509   5.446
  221    HE1  TRP  33           HE1      TRP  33  40.674  -4.861   7.253
  222    HE3  TRP  33           HE3      TRP  33  37.338  -2.756   3.738
  223    HZ2  TRP  33           HZ2      TRP  33  39.976  -2.250   7.879
  224    HZ3  TRP  33           HZ3      TRP  33  37.266  -0.640   4.952
  225    HH2  TRP  33           HH2      TRP  33  38.607  -0.375   7.049
  226    H    HIS  34           H        HIS  34  35.315  -6.081   2.371
  227    HA   HIS  34           HA       HIS  34  36.087  -8.023   0.239
  228   1HB   HIS  34          2HB       HIS  34  34.581  -9.135   1.995
  229   2HB   HIS  34          1HB       HIS  34  33.295  -8.059   1.444
  230    HD1  HIS  34           HD1      HIS  34  35.627 -10.627   0.019
  231    HD2  HIS  34           HD2      HIS  34  31.975  -8.817  -0.754
  232    HE1  HIS  34           HE1      HIS  34  34.557 -11.762  -1.940
  233    H    ASN  35           H        ASN  35  36.239  -5.334   0.137
  234    HA   ASN  35           HA       ASN  35  35.837  -3.547  -1.249
  235   1HB   ASN  35          2HB       ASN  35  36.070  -5.248  -3.015
  236   2HB   ASN  35          1HB       ASN  35  34.351  -5.610  -2.902
  237   1HD2  ASN  35          2HD2      ASN  35  35.487  -2.235  -4.802
  238   2HD2  ASN  35          1HD2      ASN  35  36.673  -3.089  -3.917
  239    H    CYS  36           H        CYS  36  34.501  -1.885  -1.847
  240    HA   CYS  36           HA       CYS  36  31.701  -2.028  -0.852
  241   1HB   CYS  36          2HB       CYS  36  32.068   0.175  -0.036
  242   2HB   CYS  36          1HB       CYS  36  33.519  -0.710   0.370
  243    H    LYS  37           H        LYS  37  33.687  -1.499  -3.572
  244    HA   LYS  37           HA       LYS  37  31.351  -0.771  -5.210
  245   1HB   LYS  37          2HB       LYS  37  32.873   0.864  -6.514
  246   2HB   LYS  37          1HB       LYS  37  32.187   1.469  -5.053
  247   1HG   LYS  37          2HG       LYS  37  34.459   0.645  -3.946
  248   2HG   LYS  37          1HG       LYS  37  35.022   0.468  -5.594
  249   1HD   LYS  37          2HD       LYS  37  33.986   3.063  -4.369
  250   2HD   LYS  37          1HD       LYS  37  35.668   2.648  -4.580
  251   1HE   LYS  37          2HE       LYS  37  35.420   2.617  -7.022
  252   2HE   LYS  37          1HE       LYS  37  33.699   2.957  -6.870
  253   1HZ   LYS  37          2HZ       LYS  37  35.053   4.854  -5.375
  254   2HZ   LYS  37          1HZ       LYS  37  35.836   4.776  -6.885
  255   3HZ   LYS  37          3HZ       LYS  37  34.155   5.072  -6.792
  256    H    ALA  38           H        ALA  38  31.259  -1.964  -6.996
  257    HA   ALA  38           HA       ALA  38  33.546  -3.651  -7.702
  258   1HB   ALA  38          2HB       ALA  38  31.171  -4.532  -7.812
  259   2HB   ALA  38          1HB       ALA  38  30.804  -3.314  -9.029
  260   3HB   ALA  38          3HB       ALA  38  31.944  -4.596  -9.388
  261    H    HIS  39           H        HIS  39  34.166  -1.034  -7.832
  262    HA   HIS  39           HA       HIS  39  34.661  -0.498 -10.713
  263   1HB   HIS  39          2HB       HIS  39  34.138   1.693  -8.595
  264   2HB   HIS  39          1HB       HIS  39  34.092   1.894 -10.345
  265    HD1  HIS  39           HD1      HIS  39  32.225  -0.760 -10.538
  266    HD2  HIS  39           HD2      HIS  39  31.641   2.654  -8.243
  267    HE1  HIS  39           HE1      HIS  39  29.837  -0.580  -9.970
  268    H    GLY  40           H        GLY  40  35.970   1.805  -8.613
  269   1HA   GLY  40          2HA       GLY  40  38.394   0.132  -8.069
  270   2HA   GLY  40          1HA       GLY  40  38.539   1.747  -8.721
  271    HA   PRO  41           HA       PRO  41  38.514   3.905  -8.204
  272   1HB   PRO  41          2HB       PRO  41  40.134   5.684  -6.894
  273   2HB   PRO  41          1HB       PRO  41  38.384   5.699  -6.711
  274   1HG   PRO  41          2HG       PRO  41  40.430   4.300  -4.916
  275   2HG   PRO  41          1HG       PRO  41  39.133   5.378  -4.432
  276   1HD   PRO  41          2HD       PRO  41  38.672   2.792  -4.283
  277   2HD   PRO  41          1HD       PRO  41  37.409   3.879  -4.872
  278    H    ASN  42           H        ASN  42  41.087   5.062  -8.540
  279    HA   ASN  42           HA       ASN  42  42.628   2.709  -9.336
  280   1HB   ASN  42          2HB       ASN  42  41.956   4.730 -10.915
  281   2HB   ASN  42          1HB       ASN  42  43.151   5.650 -10.022
  282   1HD2  ASN  42          1HD2      ASN  42  45.220   3.467  -9.864
  283   2HD2  ASN  42          2HD2      ASN  42  45.715   3.258 -11.473
  284    H    ILE  43           H        ILE  43  42.244   4.985  -7.023
  285    HA   ILE  43           HA       ILE  43  44.977   4.794  -6.319
  286    HB   ILE  43           HB       ILE  43  44.434   6.814  -4.694
  287   1HG1  ILE  43          2HG1      ILE  43  41.869   6.870  -6.359
  288   2HG1  ILE  43          1HG1      ILE  43  41.931   6.285  -4.701
  289   1HG2  ILE  43          1HG2      ILE  43  45.544   7.106  -6.911
  290   2HG2  ILE  43          3HG2      ILE  43  43.980   7.140  -7.702
  291   3HG2  ILE  43          2HG2      ILE  43  44.447   8.430  -6.608
  292   1HD1  ILE  43          2HD1      ILE  43  42.754   8.518  -3.969
  293   2HD1  ILE  43          1HD1      ILE  43  42.657   9.107  -5.618
  294   3HD1  ILE  43          3HD1      ILE  43  41.197   8.634  -4.768
  295    H    GLY  44           H        GLY  44  43.239   2.778  -5.783
  296   1HA   GLY  44          2HA       GLY  44  43.821   1.229  -3.877
  297   2HA   GLY  44          1HA       GLY  44  43.156   2.516  -2.834
  298    H    TRP  45           H        TRP  45  41.973   0.193  -2.899
  299    HA   TRP  45           HA       TRP  45  39.532   0.431  -4.673
  300   1HB   TRP  45          2HB       TRP  45  40.119  -1.870  -2.772
  301   2HB   TRP  45          1HB       TRP  45  39.031  -1.877  -4.140
  302    HD1  TRP  45           HD1      TRP  45  42.802  -1.992  -3.321
  303    HE1  TRP  45           HE1      TRP  45  44.057  -2.972  -5.192
  304    HE3  TRP  45           HE3      TRP  45  38.998  -2.213  -6.652
  305    HZ2  TRP  45           HZ2      TRP  45  43.563  -3.745  -7.810
  306    HZ3  TRP  45           HZ3      TRP  45  39.461  -3.116  -8.905
  307    HH2  TRP  45           HH2      TRP  45  41.742  -3.881  -9.482
  308    H    CYS  46           H        CYS  46  37.396   1.032  -3.520
  309    HA   CYS  46           HA       CYS  46  37.896   1.577  -0.657
  310   1HB   CYS  46          2HB       CYS  46  35.582   2.153  -2.509
  311   2HB   CYS  46          1HB       CYS  46  35.646   2.685  -0.857
  312    H    CYS  47           H        CYS  47  37.307   0.272   0.752
  313    HA   CYS  47           HA       CYS  47  35.480  -1.945   0.038
  314   1HB   CYS  47          2HB       CYS  47  38.103  -1.991   1.469
  315   2HB   CYS  47          1HB       CYS  47  37.077  -3.358   1.376
  316    H    LYS  48           H        LYS  48  35.389  -3.249   2.334
  317    HA   LYS  48           HA       LYS  48  34.979  -1.321   4.437
  318   1HB   LYS  48          2HB       LYS  48  32.738  -1.607   4.797
  319   2HB   LYS  48          1HB       LYS  48  32.851  -1.426   3.065
  320   1HG   LYS  48          2HG       LYS  48  32.536  -4.019   4.609
  321   2HG   LYS  48          1HG       LYS  48  31.402  -3.183   3.585
  322   1HD   LYS  48          2HD       LYS  48  33.193  -3.286   1.777
  323   2HD   LYS  48          1HD       LYS  48  34.062  -4.379   2.765
  324   1HE   LYS  48          2HE       LYS  48  31.297  -5.222   2.076
  325   2HE   LYS  48          1HE       LYS  48  32.743  -5.801   1.262
  326   1HZ   LYS  48          3HZ       LYS  48  33.161  -5.863   4.038
  327   2HZ   LYS  48          2HZ       LYS  48  31.693  -6.642   3.689
  328   3HZ   LYS  48          1HZ       LYS  48  33.141  -7.163   2.968
  329    H    LYS  49           H        LYS  49  34.099  -2.506   6.327
  330    HA   LYS  49           HA       LYS  49  35.642  -5.075   6.613
  331   1HB   LYS  49          2HB       LYS  49  34.435  -3.199   8.702
  332   2HB   LYS  49          1HB       LYS  49  35.205  -4.721   9.103
  333   1HG   LYS  49          2HG       LYS  49  37.172  -3.703   7.570
  334   2HG   LYS  49          1HG       LYS  49  36.396  -2.182   7.959
  335   1HD   LYS  49          2HD       LYS  49  38.134  -2.531   9.602
  336   2HD   LYS  49          1HD       LYS  49  36.608  -2.805  10.424
  337   1HE   LYS  49          2HE       LYS  49  36.883  -5.275  10.152
  338   2HE   LYS  49          1HE       LYS  49  38.366  -5.013   9.245
  339   1HZ   LYS  49          1HZ       LYS  49  38.566  -3.624  11.650
  340   2HZ   LYS  49          3HZ       LYS  49  38.009  -5.184  12.006
  341   3HZ   LYS  49          2HZ       LYS  49  39.453  -4.976  11.137
   
  No H/Q in entry =         341
  Start of MODEL   14
    1   1H    GLY   1          3H        GLY   1  43.665   5.326   7.854
    2   2H    GLY   1          2H        GLY   1  42.005   5.517   8.169
    3   3H    GLY   1          1H        GLY   1  42.641   3.969   7.868
    4   1HA   GLY   1          2HA       GLY   1  43.302   5.629   5.701
    5   2HA   GLY   1          1HA       GLY   1  42.230   4.222   5.707
    6    H    VAL   2           H        VAL   2  41.557   6.297   4.039
    7    HA   VAL   2           HA       VAL   2  39.511   7.868   5.503
    8    HB   VAL   2           HB       VAL   2  40.399   8.122   2.587
    9   1HG1  VAL   2          3HG1      VAL   2  38.190   9.165   3.093
   10   2HG1  VAL   2          2HG1      VAL   2  38.918  10.104   4.382
   11   3HG1  VAL   2          1HG1      VAL   2  39.392  10.373   2.715
   12   1HG2  VAL   2          2HG2      VAL   2  41.351   9.711   5.030
   13   2HG2  VAL   2          1HG2      VAL   2  42.324   8.561   4.134
   14   3HG2  VAL   2          3HG2      VAL   2  41.800  10.042   3.364
   15    HA   PRO   3           HA       PRO   3  36.390   5.235   3.553
   16   1HB   PRO   3          2HB       PRO   3  34.170   6.595   4.188
   17   2HB   PRO   3          1HB       PRO   3  35.069   5.732   5.445
   18   1HG   PRO   3          2HG       PRO   3  35.397   8.679   4.582
   19   2HG   PRO   3          1HG       PRO   3  35.017   8.087   6.207
   20   1HD   PRO   3          2HD       PRO   3  37.571   8.581   5.575
   21   2HD   PRO   3          1HD       PRO   3  37.220   7.092   6.476
   22    H    CYS   4           H        CYS   4  34.727   5.485   1.910
   23    HA   CYS   4           HA       CYS   4  34.823   7.944   0.295
   24   1HB   CYS   4          2HB       CYS   4  35.210   5.985  -1.661
   25   2HB   CYS   4          1HB       CYS   4  36.437   7.086  -1.097
   26    H    LEU   5           H        LEU   5  33.464   7.077  -1.883
   27    HA   LEU   5           HA       LEU   5  30.922   6.052  -0.713
   28   1HB   LEU   5          2HB       LEU   5  30.709   8.309  -1.695
   29   2HB   LEU   5          1HB       LEU   5  31.553   7.817  -3.150
   30    HG   LEU   5           HG       LEU   5  28.981   6.344  -2.477
   31   1HD1  LEU   5          3HD1      LEU   5  29.116   9.132  -3.743
   32   2HD1  LEU   5          2HD1      LEU   5  27.681   8.125  -3.618
   33   3HD1  LEU   5          1HD1      LEU   5  28.427   8.766  -2.171
   34   1HD2  LEU   5          1HD2      LEU   5  30.398   5.727  -4.511
   35   2HD2  LEU   5          3HD2      LEU   5  28.806   6.299  -4.936
   36   3HD2  LEU   5          2HD2      LEU   5  30.190   7.369  -5.097
   37    H    CYS   6           H        CYS   6  29.962   4.238  -1.886
   38    HA   CYS   6           HA       CYS   6  31.845   2.997  -3.801
   39   1HB   CYS   6          2HB       CYS   6  30.185   1.217  -2.014
   40   2HB   CYS   6          1HB       CYS   6  31.691   0.974  -2.822
   41    H    ASP   7           H        ASP   7  30.708   0.887  -4.551
   42    HA   ASP   7           HA       ASP   7  28.832   1.774  -6.570
   43   1HB   ASP   7          2HB       ASP   7  30.301  -0.101  -7.113
   44   2HB   ASP   7          1HB       ASP   7  29.817  -0.980  -5.682
   45    H    SER   8           H        SER   8  28.312  -0.913  -4.369
   46    HA   SER   8           HA       SER   8  25.436  -0.264  -4.237
   47   1HB   SER   8          2HB       SER   8  27.057  -2.541  -2.963
   48   2HB   SER   8          1HB       SER   8  25.289  -2.448  -3.051
   49    HG   SER   8           HG       SER   8  27.038  -3.097  -5.059
   50    H    ASP   9           H        ASP   9  26.795   1.790  -3.263
   51    HA   ASP   9           HA       ASP   9  26.867   1.517  -0.315
   52   1HB   ASP   9          2HB       ASP   9  28.884   2.412  -1.142
   53   2HB   ASP   9          1HB       ASP   9  28.137   3.545  -2.219
   54    H    GLY  10           H        GLY  10  25.414   2.226   0.817
   55   1HA   GLY  10          2HA       GLY  10  23.328   4.181  -0.065
   56   2HA   GLY  10          1HA       GLY  10  23.036   2.911   1.110
   57    HA   PRO  11           HA       PRO  11  24.557   5.800   4.278
   58   1HB   PRO  11          2HB       PRO  11  26.117   4.453   5.982
   59   2HB   PRO  11          1HB       PRO  11  24.479   3.835   5.725
   60   1HG   PRO  11          2HG       PRO  11  27.064   2.974   4.320
   61   2HG   PRO  11          1HG       PRO  11  25.871   1.936   5.104
   62   1HD   PRO  11          2HD       PRO  11  25.826   2.428   2.429
   63   2HD   PRO  11          1HD       PRO  11  24.275   2.237   3.274
   64    H    ARG  12           H        ARG  12  25.353   6.593   2.384
   65    HA   ARG  12           HA       ARG  12  28.237   6.505   1.791
   66   1HB   ARG  12          2HB       ARG  12  26.606   8.627   0.518
   67   2HB   ARG  12          1HB       ARG  12  27.859   7.614  -0.155
   68   1HG   ARG  12          2HG       ARG  12  26.132   5.669   0.018
   69   2HG   ARG  12          1HG       ARG  12  25.007   6.956   0.391
   70   1HD   ARG  12          2HD       ARG  12  25.753   8.135  -1.695
   71   2HD   ARG  12          1HD       ARG  12  26.727   6.700  -2.051
   72    HE   ARG  12           HE       ARG  12  24.773   5.476  -2.556
   73   1HH1  ARG  12          2HH1      ARG  12  24.263   8.670  -2.991
   74   2HH1  ARG  12          1HH1      ARG  12  22.544   8.692  -2.782
   75   1HH2  ARG  12          1HH2      ARG  12  22.524   5.365  -1.619
   76   2HH2  ARG  12          2HH2      ARG  12  21.525   6.726  -1.990
   77    HA   PRO  13           HA       PRO  13  29.525  10.095   4.059
   78   1HB   PRO  13          2HB       PRO  13  31.458  11.185   2.435
   79   2HB   PRO  13          1HB       PRO  13  31.728   9.650   3.280
   80   1HG   PRO  13          2HG       PRO  13  30.546  10.043   0.461
   81   2HG   PRO  13          1HG       PRO  13  31.987   9.104   0.885
   82   1HD   PRO  13          2HD       PRO  13  29.700   7.784   0.709
   83   2HD   PRO  13          1HD       PRO  13  30.643   7.491   2.178
   84    H    ARG  14           H        ARG  14  28.833  12.057   4.284
   85    HA   ARG  14           HA       ARG  14  28.047  14.177   3.959
   86   1HB   ARG  14          2HB       ARG  14  27.462  13.506   1.027
   87   2HB   ARG  14          1HB       ARG  14  27.517  15.035   1.866
   88   1HG   ARG  14          2HG       ARG  14  29.841  15.124   2.066
   89   2HG   ARG  14          1HG       ARG  14  30.063  13.426   1.728
   90   1HD   ARG  14          2HD       ARG  14  29.035  15.453  -0.306
   91   2HD   ARG  14          1HD       ARG  14  30.661  14.767  -0.269
   92    HE   ARG  14           HE       ARG  14  28.982  12.548  -0.272
   93   1HH1  ARG  14          2HH1      ARG  14  26.950  13.654  -1.798
   94   2HH1  ARG  14          1HH1      ARG  14  27.486  13.641  -3.442
   95   1HH2  ARG  14          1HH2      ARG  14  30.849  13.265  -2.501
   96   2HH2  ARG  14          2HH2      ARG  14  29.789  13.405  -3.857
   97    H    GLY  15           H        GLY  15  26.225  14.116   5.081
   98   1HA   GLY  15          2HA       GLY  15  23.825  14.146   5.207
   99   2HA   GLY  15          1HA       GLY  15  23.748  13.125   3.776
  100    H    ASN  16           H        ASN  16  25.961  11.457   5.237
  101    HA   ASN  16           HA       ASN  16  24.305  10.266   7.375
  102   1HB   ASN  16          2HB       ASN  16  23.518   9.285   5.163
  103   2HB   ASN  16          1HB       ASN  16  25.106   8.582   4.934
  104   1HD2  ASN  16          2HD2      ASN  16  22.470   6.816   7.459
  105   2HD2  ASN  16          1HD2      ASN  16  22.052   8.217   6.593
  106    H    THR  17           H        THR  17  26.316   7.878   6.283
  107    HA   THR  17           HA       THR  17  28.592   8.654   8.057
  108    HB   THR  17           HB       THR  17  27.444   5.799   7.915
  109    HG1  THR  17           HG1      THR  17  25.736   6.971   8.507
  110   1HG2  THR  17          2HG2      THR  17  29.626   6.336   9.310
  111   2HG2  THR  17          1HG2      THR  17  28.632   7.452  10.226
  112   3HG2  THR  17          3HG2      THR  17  28.273   5.738  10.252
  113    H    LEU  18           H        LEU  18  29.629   5.994   7.458
  114    HA   LEU  18           HA       LEU  18  30.497   6.214   4.617
  115   1HB   LEU  18          2HB       LEU  18  32.782   5.427   5.451
  116   2HB   LEU  18          1HB       LEU  18  32.395   7.101   5.776
  117    HG   LEU  18           HG       LEU  18  31.582   5.112   7.860
  118   1HD1  LEU  18          1HD1      LEU  18  33.888   4.313   7.233
  119   2HD1  LEU  18          3HD1      LEU  18  34.510   5.939   7.467
  120   3HD1  LEU  18          2HD1      LEU  18  33.885   5.035   8.830
  121   1HD2  LEU  18          2HD2      LEU  18  31.292   7.623   8.142
  122   2HD2  LEU  18          1HD2      LEU  18  32.363   6.975   9.369
  123   3HD2  LEU  18          3HD2      LEU  18  33.019   7.829   7.986
  124    H    SER  19           H        SER  19  30.552   4.340   3.591
  125    HA   SER  19           HA       SER  19  29.457   1.990   5.001
  126   1HB   SER  19          2HB       SER  19  28.498   2.722   2.808
  127   2HB   SER  19          1HB       SER  19  30.041   2.406   2.016
  128    HG   SER  19           HG       SER  19  29.683   0.219   3.256
  129    H    GLY  20           H        GLY  20  32.533   3.103   4.078
  130   1HA   GLY  20          2HA       GLY  20  33.819   0.756   5.133
  131   2HA   GLY  20          1HA       GLY  20  33.841   0.702   3.368
  132    H    ILE  21           H        ILE  21  36.182   0.742   3.633
  133    HA   ILE  21           HA       ILE  21  37.217   3.536   3.843
  134    HB   ILE  21           HB       ILE  21  38.594   1.043   4.910
  135   1HG1  ILE  21          2HG1      ILE  21  36.753   1.831   6.440
  136   2HG1  ILE  21          1HG1      ILE  21  38.330   1.972   7.178
  137   1HG2  ILE  21          1HG2      ILE  21  39.569   3.911   4.913
  138   2HG2  ILE  21          3HG2      ILE  21  40.326   2.596   5.798
  139   3HG2  ILE  21          2HG2      ILE  21  40.274   2.560   4.048
  140   1HD1  ILE  21          1HD1      ILE  21  36.809   4.262   5.876
  141   2HD1  ILE  21          3HD1      ILE  21  36.966   3.992   7.599
  142   3HD1  ILE  21          2HD1      ILE  21  38.379   4.413   6.655
  143    H    LEU  22           H        LEU  22  38.881   3.990   2.420
  144    HA   LEU  22           HA       LEU  22  38.891   2.451  -0.020
  145   1HB   LEU  22          2HB       LEU  22  40.249   4.244  -0.909
  146   2HB   LEU  22          1HB       LEU  22  39.207   5.004   0.263
  147    HG   LEU  22           HG       LEU  22  41.172   4.607   1.944
  148   1HD1  LEU  22          3HD1      LEU  22  42.646   3.291   0.347
  149   2HD1  LEU  22          2HD1      LEU  22  42.657   4.657  -0.746
  150   3HD1  LEU  22          1HD1      LEU  22  43.410   4.777   0.830
  151   1HD2  LEU  22          2HD2      LEU  22  40.278   6.783   1.148
  152   2HD2  LEU  22          1HD2      LEU  22  42.029   6.880   1.293
  153   3HD2  LEU  22          3HD2      LEU  22  41.275   6.702  -0.288
  154    H    TRP  23           H        TRP  23  40.543   1.097  -0.836
  155    HA   TRP  23           HA       TRP  23  42.663   0.499   1.101
  156   1HB   TRP  23          2HB       TRP  23  40.710  -1.399  -0.140
  157   2HB   TRP  23          1HB       TRP  23  42.335  -1.986   0.088
  158    HD1  TRP  23           HD1      TRP  23  39.300  -1.152   2.263
  159    HE1  TRP  23           HE1      TRP  23  39.929  -1.248   4.688
  160    HE3  TRP  23           HE3      TRP  23  44.176  -1.488   1.599
  161    HZ2  TRP  23           HZ2      TRP  23  42.323  -1.382   6.177
  162    HZ3  TRP  23           HZ3      TRP  23  45.731  -1.537   3.503
  163    HH2  TRP  23           HH2      TRP  23  44.781  -1.507   5.846
  164    H    PHE  24           H        PHE  24  44.370   0.202   0.729
  165    HA   PHE  24           HA       PHE  24  45.656   0.566  -1.864
  166   1HB   PHE  24          2HB       PHE  24  46.236   0.993   1.021
  167   2HB   PHE  24          1HB       PHE  24  47.632   0.439   0.184
  168    HD1  PHE  24           HD1      PHE  24  44.758   2.811  -0.391
  169    HD2  PHE  24           HD2      PHE  24  48.970   2.238  -0.662
  170    HE1  PHE  24           HE1      PHE  24  45.014   5.107  -1.197
  171    HE2  PHE  24           HE2      PHE  24  49.229   4.547  -1.469
  172    HZ   PHE  24           HZ       PHE  24  47.248   5.985  -1.737
  173    H    TYR  25           H        TYR  25  44.508  -1.828  -1.960
  174    HA   TYR  25           HA       TYR  25  46.752  -3.661  -1.573
  175   1HB   TYR  25          2HB       TYR  25  43.923  -3.902  -0.723
  176   2HB   TYR  25          1HB       TYR  25  44.488  -5.316  -1.587
  177    HD1  TYR  25           HD2      TYR  25  45.770  -2.921   1.048
  178    HD2  TYR  25           HD1      TYR  25  45.583  -6.921  -0.369
  179    HE1  TYR  25           HE2      TYR  25  47.028  -3.664   3.008
  180    HE2  TYR  25           HE1      TYR  25  46.844  -7.675   1.599
  181    HH   TYR  25           HH       TYR  25  48.364  -5.502   3.800
  182    HA   PRO  26           HA       PRO  26  46.487  -4.413  -5.880
  183   1HB   PRO  26          2HB       PRO  26  47.949  -6.725  -6.018
  184   2HB   PRO  26          1HB       PRO  26  48.731  -5.203  -5.565
  185   1HG   PRO  26          2HG       PRO  26  47.545  -7.334  -3.689
  186   2HG   PRO  26          1HG       PRO  26  49.172  -6.651  -3.658
  187   1HD   PRO  26          2HD       PRO  26  47.241  -5.602  -2.065
  188   2HD   PRO  26          1HD       PRO  26  48.316  -4.438  -2.850
  189    H    SER  27           H        SER  27  45.474  -6.624  -3.476
  190    HA   SER  27           HA       SER  27  43.777  -8.202  -5.273
  191   1HB   SER  27          2HB       SER  27  43.284  -9.289  -2.880
  192   2HB   SER  27          1HB       SER  27  44.936  -9.471  -3.512
  193    HG   SER  27           HG       SER  27  43.943  -7.772  -1.526
  194    H    GLY  28           H        GLY  28  43.363  -5.302  -4.708
  195   1HA   GLY  28          2HA       GLY  28  41.360  -4.035  -4.666
  196   2HA   GLY  28          1HA       GLY  28  40.466  -5.482  -4.232
  197    H    CYS  29           H        CYS  29  40.608  -6.287  -2.150
  198    HA   CYS  29           HA       CYS  29  41.050  -4.274  -0.077
  199   1HB   CYS  29          2HB       CYS  29  39.660  -6.927   0.202
  200   2HB   CYS  29          1HB       CYS  29  39.511  -5.504   1.142
  201    HA   PRO  30           HA       PRO  30  43.667  -7.346   2.071
  202   1HB   PRO  30          2HB       PRO  30  44.023  -6.209   4.418
  203   2HB   PRO  30          1HB       PRO  30  44.531  -5.295   2.984
  204   1HG   PRO  30          2HG       PRO  30  41.857  -5.170   4.357
  205   2HG   PRO  30          1HG       PRO  30  42.923  -3.830   4.143
  206   1HD   PRO  30          2HD       PRO  30  40.912  -4.427   2.352
  207   2HD   PRO  30          1HD       PRO  30  42.422  -3.721   1.771
  208    H    SER  31           H        SER  31  43.504  -8.683   4.011
  209    HA   SER  31           HA       SER  31  41.081 -10.084   4.079
  210   1HB   SER  31          2HB       SER  31  43.384 -11.054   4.723
  211   2HB   SER  31          1HB       SER  31  43.246 -10.163   6.252
  212    HG   SER  31           HG       SER  31  42.096 -12.470   5.639
  213    H    GLY  32           H        GLY  32  39.605 -10.138   5.386
  214   1HA   GLY  32          2HA       GLY  32  38.197  -9.666   7.336
  215   2HA   GLY  32          1HA       GLY  32  39.308  -8.377   7.784
  216    H    TRP  33           H        TRP  33  38.813  -8.018   4.598
  217    HA   TRP  33           HA       TRP  33  36.592  -6.122   4.970
  218   1HB   TRP  33          2HB       TRP  33  38.916  -6.151   2.992
  219   2HB   TRP  33          1HB       TRP  33  37.686  -4.928   2.982
  220    HD1  TRP  33           HD1      TRP  33  40.397  -6.285   5.436
  221    HE1  TRP  33           HE1      TRP  33  41.021  -4.476   7.044
  222    HE3  TRP  33           HE3      TRP  33  37.152  -2.861   3.833
  223    HZ2  TRP  33           HZ2      TRP  33  40.226  -1.864   7.568
  224    HZ3  TRP  33           HZ3      TRP  33  37.078  -0.661   4.891
  225    HH2  TRP  33           HH2      TRP  33  38.643  -0.149   6.801
  226    H    HIS  34           H        HIS  34  35.327  -5.884   2.898
  227    HA   HIS  34           HA       HIS  34  35.328  -8.416   1.314
  228   1HB   HIS  34          2HB       HIS  34  33.933  -8.660   3.316
  229   2HB   HIS  34          1HB       HIS  34  33.000  -7.244   2.883
  230    HD1  HIS  34           HD1      HIS  34  31.772  -7.690   0.339
  231    HD2  HIS  34           HD2      HIS  34  32.822 -10.954   2.686
  232    HE1  HIS  34           HE1      HIS  34  30.444  -9.699  -0.403
  233    H    ASN  35           H        ASN  35  36.064  -5.746   0.623
  234    HA   ASN  35           HA       ASN  35  35.890  -4.260  -1.168
  235   1HB   ASN  35          2HB       ASN  35  35.959  -6.372  -2.453
  236   2HB   ASN  35          1HB       ASN  35  34.204  -6.503  -2.332
  237   1HD2  ASN  35          2HD2      ASN  35  35.561  -3.487  -4.696
  238   2HD2  ASN  35          1HD2      ASN  35  36.520  -3.850  -3.340
  239    H    CYS  36           H        CYS  36  34.701  -2.461  -1.786
  240    HA   CYS  36           HA       CYS  36  31.817  -2.421  -1.053
  241   1HB   CYS  36          2HB       CYS  36  32.189  -0.511   0.075
  242   2HB   CYS  36          1HB       CYS  36  33.791  -1.108   0.226
  243    H    LYS  37           H        LYS  37  34.298  -1.203  -3.210
  244    HA   LYS  37           HA       LYS  37  32.192  -0.841  -5.304
  245   1HB   LYS  37          2HB       LYS  37  33.146   1.432  -4.363
  246   2HB   LYS  37          1HB       LYS  37  34.660   0.973  -5.114
  247   1HG   LYS  37          2HG       LYS  37  33.367   0.625  -7.309
  248   2HG   LYS  37          1HG       LYS  37  31.964   1.278  -6.524
  249   1HD   LYS  37          2HD       LYS  37  34.558   2.823  -6.840
  250   2HD   LYS  37          1HD       LYS  37  33.221   2.932  -7.963
  251   1HE   LYS  37          2HE       LYS  37  31.740   3.644  -6.029
  252   2HE   LYS  37          1HE       LYS  37  33.228   3.742  -5.080
  253   1HZ   LYS  37          1HZ       LYS  37  33.712   5.033  -7.465
  254   2HZ   LYS  37          3HZ       LYS  37  32.220   5.621  -6.910
  255   3HZ   LYS  37          2HZ       LYS  37  33.590   5.700  -5.905
  256    H    ALA  38           H        ALA  38  32.782  -1.690  -7.203
  257    HA   ALA  38           HA       ALA  38  35.485  -2.943  -7.478
  258   1HB   ALA  38          3HB       ALA  38  33.592  -4.642  -7.231
  259   2HB   ALA  38          2HB       ALA  38  32.790  -3.913  -8.621
  260   3HB   ALA  38          1HB       ALA  38  34.334  -4.721  -8.824
  261    H    HIS  39           H        HIS  39  34.704  -0.300  -7.973
  262    HA   HIS  39           HA       HIS  39  35.144  -0.137 -10.918
  263   1HB   HIS  39          2HB       HIS  39  33.183   1.758  -9.548
  264   2HB   HIS  39          1HB       HIS  39  33.304   1.414 -11.250
  265    HD1  HIS  39           HD1      HIS  39  33.058  -1.735 -10.831
  266    HD2  HIS  39           HD2      HIS  39  30.661   1.202  -9.129
  267    HE1  HIS  39           HE1      HIS  39  30.912  -2.733 -10.194
  268    H    GLY  40           H        GLY  40  37.192   0.052  -9.303
  269   1HA   GLY  40          2HA       GLY  40  39.038   1.559  -9.064
  270   2HA   GLY  40          1HA       GLY  40  37.948   2.903  -9.419
  271    HA   PRO  41           HA       PRO  41  38.715   4.761  -8.413
  272   1HB   PRO  41          2HB       PRO  41  40.357   6.108  -6.668
  273   2HB   PRO  41          1HB       PRO  41  38.599   6.197  -6.539
  274   1HG   PRO  41          2HG       PRO  41  40.456   4.220  -5.117
  275   2HG   PRO  41          1HG       PRO  41  39.303   5.293  -4.343
  276   1HD   PRO  41          2HD       PRO  41  38.494   2.851  -4.814
  277   2HD   PRO  41          1HD       PRO  41  37.403   4.172  -5.248
  278    H    ASN  42           H        ASN  42  41.310   5.727  -8.585
  279    HA   ASN  42           HA       ASN  42  42.785   3.370  -9.524
  280   1HB   ASN  42          2HB       ASN  42  43.371   6.371  -9.885
  281   2HB   ASN  42          1HB       ASN  42  44.216   5.067 -10.683
  282   1HD2  ASN  42          2HD2      ASN  42  41.663   4.679 -13.154
  283   2HD2  ASN  42          1HD2      ASN  42  42.990   3.890 -12.445
  284    H    ILE  43           H        ILE  43  42.296   5.295  -6.943
  285    HA   ILE  43           HA       ILE  43  45.015   5.018  -6.172
  286    HB   ILE  43           HB       ILE  43  42.979   6.792  -4.715
  287   1HG1  ILE  43          2HG1      ILE  43  42.996   7.512  -7.101
  288   2HG1  ILE  43          1HG1      ILE  43  43.734   8.721  -6.093
  289   1HG2  ILE  43          2HG2      ILE  43  46.030   7.013  -4.860
  290   2HG2  ILE  43          1HG2      ILE  43  44.966   8.130  -4.021
  291   3HG2  ILE  43          3HG2      ILE  43  45.094   6.471  -3.485
  292   1HD1  ILE  43          1HD1      ILE  43  45.290   6.686  -7.763
  293   2HD1  ILE  43          3HD1      ILE  43  45.052   8.374  -8.164
  294   3HD1  ILE  43          2HD1      ILE  43  46.010   7.939  -6.770
  295    H    GLY  44           H        GLY  44  43.284   2.918  -6.034
  296   1HA   GLY  44          2HA       GLY  44  43.694   1.136  -4.353
  297   2HA   GLY  44          1HA       GLY  44  43.037   2.290  -3.163
  298    H    TRP  45           H        TRP  45  41.682   0.292  -3.287
  299    HA   TRP  45           HA       TRP  45  39.266   0.770  -5.067
  300   1HB   TRP  45          2HB       TRP  45  39.626  -1.873  -3.669
  301   2HB   TRP  45          1HB       TRP  45  38.832  -1.536  -5.196
  302    HD1  TRP  45           HD1      TRP  45  42.464  -1.578  -3.779
  303    HE1  TRP  45           HE1      TRP  45  44.020  -2.528  -5.446
  304    HE3  TRP  45           HE3      TRP  45  39.150  -2.174  -7.573
  305    HZ2  TRP  45           HZ2      TRP  45  43.917  -3.429  -8.031
  306    HZ3  TRP  45           HZ3      TRP  45  39.980  -3.128  -9.704
  307    HH2  TRP  45           HH2      TRP  45  42.363  -3.755  -9.935
  308    H    CYS  46           H        CYS  46  37.195   1.054  -3.739
  309    HA   CYS  46           HA       CYS  46  37.825   1.251  -0.874
  310   1HB   CYS  46          2HB       CYS  46  35.409   2.021  -2.566
  311   2HB   CYS  46          1HB       CYS  46  35.546   2.339  -0.847
  312    H    CYS  47           H        CYS  47  37.251   0.002   0.548
  313    HA   CYS  47           HA       CYS  47  35.419  -2.234  -0.006
  314   1HB   CYS  47          2HB       CYS  47  38.116  -2.214   1.246
  315   2HB   CYS  47          1HB       CYS  47  37.107  -3.555   1.430
  316    H    LYS  48           H        LYS  48  35.134  -3.501   2.233
  317    HA   LYS  48           HA       LYS  48  35.073  -1.550   4.351
  318   1HB   LYS  48          2HB       LYS  48  32.866  -1.477   4.781
  319   2HB   LYS  48          1HB       LYS  48  32.960  -1.265   3.050
  320   1HG   LYS  48          2HG       LYS  48  32.143  -3.732   4.574
  321   2HG   LYS  48          1HG       LYS  48  31.210  -2.686   3.543
  322   1HD   LYS  48          2HD       LYS  48  33.003  -3.222   1.771
  323   2HD   LYS  48          1HD       LYS  48  33.511  -4.492   2.821
  324   1HE   LYS  48          2HE       LYS  48  30.725  -4.322   1.557
  325   2HE   LYS  48          1HE       LYS  48  31.908  -5.588   1.285
  326   1HZ   LYS  48          3HZ       LYS  48  31.429  -5.439   4.025
  327   2HZ   LYS  48          2HZ       LYS  48  29.937  -5.479   3.209
  328   3HZ   LYS  48          1HZ       LYS  48  31.074  -6.715   2.957
  329    H    LYS  49           H        LYS  49  34.052  -2.414   6.224
  330    HA   LYS  49           HA       LYS  49  35.261  -5.026   6.909
  331   1HB   LYS  49          2HB       LYS  49  34.109  -2.703   8.458
  332   2HB   LYS  49          1HB       LYS  49  34.062  -4.257   9.253
  333   1HG   LYS  49          2HG       LYS  49  36.629  -3.115   8.068
  334   2HG   LYS  49          1HG       LYS  49  36.143  -2.828   9.730
  335   1HD   LYS  49          2HD       LYS  49  35.996  -5.341  10.066
  336   2HD   LYS  49          1HD       LYS  49  36.631  -5.560   8.453
  337   1HE   LYS  49          2HE       LYS  49  38.101  -4.124  10.697
  338   2HE   LYS  49          1HE       LYS  49  38.394  -5.779  10.193
  339   1HZ   LYS  49          2HZ       LYS  49  38.497  -4.140   7.933
  340   2HZ   LYS  49          1HZ       LYS  49  39.469  -3.445   9.146
  341   3HZ   LYS  49          3HZ       LYS  49  39.732  -5.056   8.639
   
  No H/Q in entry =         341
  Start of MODEL   15
    1   1H    GLY   1          2H        GLY   1  41.900   4.874   7.547
    2   2H    GLY   1          1H        GLY   1  42.509   3.379   7.011
    3   3H    GLY   1          3H        GLY   1  43.571   4.681   7.292
    4   1HA   GLY   1          2HA       GLY   1  43.331   5.353   5.205
    5   2HA   GLY   1          1HA       GLY   1  42.230   3.999   4.913
    6    H    VAL   2           H        VAL   2  41.536   6.129   3.518
    7    HA   VAL   2           HA       VAL   2  39.665   7.773   5.113
    8    HB   VAL   2           HB       VAL   2  40.250   7.986   2.135
    9   1HG1  VAL   2          2HG1      VAL   2  39.239  10.079   4.091
   10   2HG1  VAL   2          1HG1      VAL   2  39.574  10.341   2.390
   11   3HG1  VAL   2          3HG1      VAL   2  38.281   9.262   2.862
   12   1HG2  VAL   2          1HG2      VAL   2  41.733   9.362   4.409
   13   2HG2  VAL   2          3HG2      VAL   2  42.416   8.153   3.337
   14   3HG2  VAL   2          2HG2      VAL   2  41.959   9.720   2.705
   15    HA   PRO   3           HA       PRO   3  36.277   5.357   3.401
   16   1HB   PRO   3          2HB       PRO   3  34.179   6.588   4.423
   17   2HB   PRO   3          1HB       PRO   3  35.360   5.821   5.512
   18   1HG   PRO   3          2HG       PRO   3  35.358   8.756   4.568
   19   2HG   PRO   3          1HG       PRO   3  35.269   8.181   6.236
   20   1HD   PRO   3          2HD       PRO   3  37.678   8.770   5.125
   21   2HD   PRO   3          1HD       PRO   3  37.541   7.370   6.204
   22    H    CYS   4           H        CYS   4  35.203   5.336   1.549
   23    HA   CYS   4           HA       CYS   4  34.759   7.937   0.129
   24   1HB   CYS   4          2HB       CYS   4  34.898   5.783  -1.760
   25   2HB   CYS   4          1HB       CYS   4  35.986   7.137  -1.576
   26    H    LEU   5           H        LEU   5  33.232   7.385  -1.825
   27    HA   LEU   5           HA       LEU   5  30.700   6.401  -0.647
   28   1HB   LEU   5          2HB       LEU   5  31.049   8.772  -1.654
   29   2HB   LEU   5          1HB       LEU   5  31.147   7.998  -3.220
   30    HG   LEU   5           HG       LEU   5  28.708   7.631  -1.401
   31   1HD1  LEU   5          3HD1      LEU   5  29.175   9.755  -3.549
   32   2HD1  LEU   5          2HD1      LEU   5  27.659   9.467  -2.711
   33   3HD1  LEU   5          1HD1      LEU   5  29.050  10.061  -1.824
   34   1HD2  LEU   5          2HD2      LEU   5  29.075   7.413  -4.436
   35   2HD2  LEU   5          1HD2      LEU   5  28.957   6.039  -3.362
   36   3HD2  LEU   5          3HD2      LEU   5  27.585   7.102  -3.561
   37    H    CYS   6           H        CYS   6  30.326   4.266  -1.137
   38    HA   CYS   6           HA       CYS   6  31.647   3.111  -3.435
   39   1HB   CYS   6          2HB       CYS   6  29.990   1.492  -1.476
   40   2HB   CYS   6          1HB       CYS   6  31.372   1.058  -2.406
   41    H    ASP   7           H        ASP   7  30.371   1.005  -4.001
   42    HA   ASP   7           HA       ASP   7  28.619   1.843  -6.092
   43   1HB   ASP   7          2HB       ASP   7  30.053  -0.106  -6.413
   44   2HB   ASP   7          1HB       ASP   7  29.429  -0.900  -4.993
   45    H    SER   8           H        SER   8  27.602  -0.768  -3.925
   46    HA   SER   8           HA       SER   8  24.859  -0.303  -4.179
   47   1HB   SER   8          2HB       SER   8  26.146  -1.463  -1.668
   48   2HB   SER   8          1HB       SER   8  24.694  -2.018  -2.527
   49    HG   SER   8           HG       SER   8  26.039  -3.223  -3.655
   50    H    ASP   9           H        ASP   9  27.174   1.265  -2.405
   51    HA   ASP   9           HA       ASP   9  26.056   2.355  -0.144
   52   1HB   ASP   9          2HB       ASP   9  28.462   2.691  -0.943
   53   2HB   ASP   9          1HB       ASP   9  27.868   3.784  -2.127
   54    H    GLY  10           H        GLY  10  26.065   4.122  -3.236
   55   1HA   GLY  10          2HA       GLY  10  24.639   5.892  -3.936
   56   2HA   GLY  10          1HA       GLY  10  23.370   4.931  -3.156
   57    HA   PRO  11           HA       PRO  11  23.722   8.430  -0.226
   58   1HB   PRO  11          2HB       PRO  11  21.184   9.214  -0.023
   59   2HB   PRO  11          1HB       PRO  11  22.022   9.528  -1.560
   60   1HG   PRO  11          2HG       PRO  11  20.298   7.067  -0.848
   61   2HG   PRO  11          1HG       PRO  11  20.069   8.164  -2.209
   62   1HD   PRO  11          2HD       PRO  11  21.527   5.861  -2.499
   63   2HD   PRO  11          1HD       PRO  11  21.973   7.332  -3.387
   64    H    ARG  12           H        ARG  12  23.337   5.430   0.061
   65    HA   ARG  12           HA       ARG  12  22.262   5.510   2.861
   66   1HB   ARG  12          2HB       ARG  12  21.658   3.438   0.767
   67   2HB   ARG  12          1HB       ARG  12  21.248   3.288   2.469
   68   1HG   ARG  12          2HG       ARG  12  20.009   5.514   2.280
   69   2HG   ARG  12          1HG       ARG  12  20.297   5.461   0.548
   70   1HD   ARG  12          2HD       ARG  12  19.117   3.294   0.410
   71   2HD   ARG  12          1HD       ARG  12  18.797   3.372   2.146
   72    HE   ARG  12           HE       ARG  12  17.423   4.909   0.070
   73   1HH1  ARG  12          1HH2      ARG  12  18.148   7.121   1.654
   74   2HH1  ARG  12          2HH2      ARG  12  17.018   7.157   2.961
   75   1HH2  ARG  12          2HH1      ARG  12  16.091   3.801   2.455
   76   2HH2  ARG  12          1HH1      ARG  12  15.826   5.192   3.444
   77    HA   PRO  13           HA       PRO  13  26.382   3.400   3.228
   78   1HB   PRO  13          2HB       PRO  13  27.333   4.863   5.318
   79   2HB   PRO  13          1HB       PRO  13  27.425   5.516   3.668
   80   1HG   PRO  13          2HG       PRO  13  25.131   5.900   5.687
   81   2HG   PRO  13          1HG       PRO  13  26.101   7.182   4.951
   82   1HD   PRO  13          2HD       PRO  13  23.816   6.550   3.759
   83   2HD   PRO  13          1HD       PRO  13  25.236   6.674   2.706
   84    H    ARG  14           H        ARG  14  26.729   1.736   4.764
   85    HA   ARG  14           HA       ARG  14  24.479   1.332   6.676
   86   1HB   ARG  14          2HB       ARG  14  26.473  -0.610   5.414
   87   2HB   ARG  14          1HB       ARG  14  25.325  -1.091   6.654
   88   1HG   ARG  14          2HG       ARG  14  23.449  -0.235   5.194
   89   2HG   ARG  14          1HG       ARG  14  24.620   0.114   3.938
   90   1HD   ARG  14          2HD       ARG  14  24.257  -2.677   5.109
   91   2HD   ARG  14          1HD       ARG  14  23.382  -2.105   3.695
   92    HE   ARG  14           HE       ARG  14  26.240  -1.729   3.384
   93   1HH1  ARG  14          2HH1      ARG  14  23.826  -2.843   1.670
   94   2HH1  ARG  14          1HH1      ARG  14  24.455  -4.396   1.240
   95   1HH2  ARG  14          1HH2      ARG  14  27.030  -4.199   3.621
   96   2HH2  ARG  14          2HH2      ARG  14  26.346  -5.185   2.380
   97    H    GLY  15           H        GLY  15  24.894   2.163   8.504
   98   1HA   GLY  15          2HA       GLY  15  26.024   1.420  10.717
   99   2HA   GLY  15          1HA       GLY  15  27.535   1.710   9.852
  100    H    ASN  16           H        ASN  16  24.635   3.583   9.581
  101    HA   ASN  16           HA       ASN  16  24.003   5.744  10.205
  102   1HB   ASN  16          2HB       ASN  16  26.626   5.928  11.820
  103   2HB   ASN  16          1HB       ASN  16  25.261   7.018  11.895
  104   1HD2  ASN  16          2HD2      ASN  16  25.076   3.495  13.870
  105   2HD2  ASN  16          1HD2      ASN  16  26.375   3.813  12.810
  106    H    THR  17           H        THR  17  27.482   5.383   9.568
  107    HA   THR  17           HA       THR  17  27.251   7.181   7.264
  108    HB   THR  17           HB       THR  17  27.741   8.755   9.171
  109    HG1  THR  17           HG1      THR  17  29.127   9.689   7.877
  110   1HG2  THR  17          3HG2      THR  17  30.314   7.109   9.462
  111   2HG2  THR  17          2HG2      THR  17  29.925   8.564  10.365
  112   3HG2  THR  17          1HG2      THR  17  29.019   7.089  10.646
  113    H    LEU  18           H        LEU  18  29.736   7.340   6.526
  114    HA   LEU  18           HA       LEU  18  31.527   6.178   5.484
  115   1HB   LEU  18          2HB       LEU  18  31.262   4.874   8.177
  116   2HB   LEU  18          1HB       LEU  18  32.008   3.862   6.974
  117    HG   LEU  18           HG       LEU  18  33.586   5.727   6.439
  118   1HD1  LEU  18          2HD1      LEU  18  32.250   7.662   7.287
  119   2HD1  LEU  18          1HD1      LEU  18  32.404   7.056   8.923
  120   3HD1  LEU  18          3HD1      LEU  18  33.822   7.614   8.053
  121   1HD2  LEU  18          3HD2      LEU  18  34.229   3.898   7.972
  122   2HD2  LEU  18          2HD2      LEU  18  34.994   5.401   8.464
  123   3HD2  LEU  18          1HD2      LEU  18  33.601   4.791   9.338
  124    H    SER  19           H        SER  19  31.696   4.785   3.803
  125    HA   SER  19           HA       SER  19  29.667   2.569   3.714
  126   1HB   SER  19          2HB       SER  19  28.935   4.525   2.361
  127   2HB   SER  19          1HB       SER  19  30.396   4.366   1.370
  128    HG   SER  19           HG       SER  19  29.700   2.029   1.245
  129    H    GLY  20           H        GLY  20  32.910   3.427   3.368
  130   1HA   GLY  20          2HA       GLY  20  33.751   0.770   2.944
  131   2HA   GLY  20          1HA       GLY  20  33.686   1.551   1.374
  132    H    ILE  21           H        ILE  21  35.923   0.773   3.541
  133    HA   ILE  21           HA       ILE  21  37.191   3.521   3.559
  134    HB   ILE  21           HB       ILE  21  38.341   0.916   4.639
  135   1HG1  ILE  21          2HG1      ILE  21  36.256   1.444   5.933
  136   2HG1  ILE  21          1HG1      ILE  21  37.660   1.722   6.936
  137   1HG2  ILE  21          2HG2      ILE  21  39.168   3.790   5.126
  138   2HG2  ILE  21          1HG2      ILE  21  39.836   2.395   5.959
  139   3HG2  ILE  21          3HG2      ILE  21  40.044   2.565   4.229
  140   1HD1  ILE  21          2HD1      ILE  21  37.540   4.168   6.438
  141   2HD1  ILE  21          1HD1      ILE  21  36.128   3.859   5.438
  142   3HD1  ILE  21          3HD1      ILE  21  36.070   3.562   7.163
  143    H    LEU  22           H        LEU  22  38.718   4.052   2.059
  144    HA   LEU  22           HA       LEU  22  39.179   2.324  -0.193
  145   1HB   LEU  22          2HB       LEU  22  40.652   4.036  -1.002
  146   2HB   LEU  22          1HB       LEU  22  39.344   4.843  -0.197
  147    HG   LEU  22           HG       LEU  22  40.924   4.947   1.889
  148   1HD1  LEU  22          3HD1      LEU  22  42.961   4.507  -0.355
  149   2HD1  LEU  22          2HD1      LEU  22  43.354   5.027   1.274
  150   3HD1  LEU  22          1HD1      LEU  22  42.745   3.422   0.997
  151   1HD2  LEU  22          3HD2      LEU  22  40.248   6.884   0.439
  152   2HD2  LEU  22          2HD2      LEU  22  41.914   7.075   0.973
  153   3HD2  LEU  22          1HD2      LEU  22  41.560   6.518  -0.656
  154    H    TRP  23           H        TRP  23  40.929   1.155  -0.764
  155    HA   TRP  23           HA       TRP  23  42.806   0.563   1.408
  156   1HB   TRP  23          2HB       TRP  23  40.935  -1.298   0.014
  157   2HB   TRP  23          1HB       TRP  23  42.554  -1.935   0.267
  158    HD1  TRP  23           HD1      TRP  23  39.413  -1.208   2.250
  159    HE1  TRP  23           HE1      TRP  23  39.888  -1.426   4.698
  160    HE3  TRP  23           HE3      TRP  23  44.335  -1.428   1.882
  161    HZ2  TRP  23           HZ2      TRP  23  42.191  -1.612   6.333
  162    HZ3  TRP  23           HZ3      TRP  23  45.772  -1.570   3.864
  163    HH2  TRP  23           HH2      TRP  23  44.680  -1.689   6.149
  164    H    PHE  24           H        PHE  24  44.594   0.219   1.127
  165    HA   PHE  24           HA       PHE  24  45.855   0.731  -1.432
  166   1HB   PHE  24          2HB       PHE  24  46.436   1.054   1.481
  167   2HB   PHE  24          1HB       PHE  24  47.848   0.488   0.687
  168    HD1  PHE  24           HD1      PHE  24  45.211   3.120   0.742
  169    HD2  PHE  24           HD2      PHE  24  49.061   2.086  -0.769
  170    HE1  PHE  24           HE1      PHE  24  45.537   5.426  -0.019
  171    HE2  PHE  24           HE2      PHE  24  49.382   4.393  -1.529
  172    HZ   PHE  24           HZ       PHE  24  47.618   6.073  -1.155
  173    H    TYR  25           H        TYR  25  44.774  -1.726  -1.603
  174    HA   TYR  25           HA       TYR  25  47.071  -3.511  -1.365
  175   1HB   TYR  25          2HB       TYR  25  44.187  -4.004  -0.775
  176   2HB   TYR  25          1HB       TYR  25  44.907  -5.244  -1.762
  177    HD1  TYR  25           HD1      TYR  25  46.965  -3.363   0.592
  178    HD2  TYR  25           HD2      TYR  25  44.713  -6.902  -0.003
  179    HE1  TYR  25           HE1      TYR  25  48.025  -4.353   2.584
  180    HE2  TYR  25           HE2      TYR  25  45.779  -7.910   1.973
  181    HH   TYR  25           HH       TYR  25  47.326  -6.220   4.275
  182    HA   PRO  26           HA       PRO  26  46.851  -3.899  -5.589
  183   1HB   PRO  26          2HB       PRO  26  48.691  -5.895  -6.011
  184   2HB   PRO  26          1HB       PRO  26  49.201  -4.357  -5.288
  185   1HG   PRO  26          2HG       PRO  26  48.314  -6.912  -3.801
  186   2HG   PRO  26          1HG       PRO  26  49.817  -6.015  -3.595
  187   1HD   PRO  26          2HD       PRO  26  47.649  -5.440  -1.973
  188   2HD   PRO  26          1HD       PRO  26  48.690  -4.114  -2.516
  189    H    SER  27           H        SER  27  46.291  -6.610  -3.506
  190    HA   SER  27           HA       SER  27  44.880  -8.207  -5.509
  191   1HB   SER  27          2HB       SER  27  44.738  -9.745  -3.387
  192   2HB   SER  27          1HB       SER  27  46.361  -9.419  -4.016
  193    HG   SER  27           HG       SER  27  45.196  -8.615  -1.706
  194    H    GLY  28           H        GLY  28  43.695  -5.734  -4.958
  195   1HA   GLY  28          2HA       GLY  28  41.453  -4.949  -4.661
  196   2HA   GLY  28          1HA       GLY  28  40.987  -6.615  -4.335
  197    H    CYS  29           H        CYS  29  39.919  -6.442  -2.287
  198    HA   CYS  29           HA       CYS  29  40.849  -4.586  -0.329
  199   1HB   CYS  29          2HB       CYS  29  39.111  -6.994   0.238
  200   2HB   CYS  29          1HB       CYS  29  39.178  -5.439   0.997
  201    HA   PRO  30           HA       PRO  30  43.491  -7.389   1.960
  202   1HB   PRO  30          2HB       PRO  30  43.822  -6.099   4.275
  203   2HB   PRO  30          1HB       PRO  30  44.363  -5.274   2.797
  204   1HG   PRO  30          2HG       PRO  30  41.609  -5.148   4.053
  205   2HG   PRO  30          1HG       PRO  30  42.696  -3.805   3.884
  206   1HD   PRO  30          2HD       PRO  30  40.812  -4.314   1.996
  207   2HD   PRO  30          1HD       PRO  30  42.430  -3.886   1.422
  208    H    SER  31           H        SER  31  43.446  -8.757   3.752
  209    HA   SER  31           HA       SER  31  41.173 -10.255   4.080
  210   1HB   SER  31          2HB       SER  31  43.459 -11.080   4.761
  211   2HB   SER  31          1HB       SER  31  43.441  -9.942   6.123
  212    HG   SER  31           HG       SER  31  42.192 -11.315   7.139
  213    H    GLY  32           H        GLY  32  39.584 -10.185   5.249
  214   1HA   GLY  32          2HA       GLY  32  38.147  -9.694   7.186
  215   2HA   GLY  32          1HA       GLY  32  39.246  -8.388   7.614
  216    H    TRP  33           H        TRP  33  38.864  -8.017   4.433
  217    HA   TRP  33           HA       TRP  33  36.550  -6.179   4.714
  218   1HB   TRP  33          2HB       TRP  33  38.973  -6.106   2.885
  219   2HB   TRP  33          1HB       TRP  33  37.708  -4.917   2.845
  220    HD1  TRP  33           HD1      TRP  33  40.335  -6.287   5.378
  221    HE1  TRP  33           HE1      TRP  33  40.896  -4.506   7.027
  222    HE3  TRP  33           HE3      TRP  33  37.108  -2.839   3.747
  223    HZ2  TRP  33           HZ2      TRP  33  40.090  -1.928   7.575
  224    HZ3  TRP  33           HZ3      TRP  33  37.005  -0.663   4.849
  225    HH2  TRP  33           HH2      TRP  33  38.536  -0.194   6.800
  226    H    HIS  34           H        HIS  34  35.207  -6.110   2.792
  227    HA   HIS  34           HA       HIS  34  35.570  -8.453   0.984
  228   1HB   HIS  34          2HB       HIS  34  34.221  -9.001   3.051
  229   2HB   HIS  34          1HB       HIS  34  32.999  -7.872   2.490
  230    HD1  HIS  34           HD1      HIS  34  32.085  -8.493  -0.001
  231    HD2  HIS  34           HD2      HIS  34  34.016 -11.483   2.117
  232    HE1  HIS  34           HE1      HIS  34  31.463 -10.746  -0.996
  233    H    ASN  35           H        ASN  35  36.014  -5.812   0.390
  234    HA   ASN  35           HA       ASN  35  35.679  -4.284  -1.304
  235   1HB   ASN  35          2HB       ASN  35  35.405  -6.537  -2.461
  236   2HB   ASN  35          1HB       ASN  35  33.679  -6.275  -2.379
  237   1HD2  ASN  35          2HD2      ASN  35  33.990  -3.546  -4.797
  238   2HD2  ASN  35          1HD2      ASN  35  33.157  -3.791  -3.326
  239    H    CYS  36           H        CYS  36  34.545  -2.398  -1.643
  240    HA   CYS  36           HA       CYS  36  31.771  -2.273  -0.554
  241   1HB   CYS  36          2HB       CYS  36  32.294  -0.316   0.412
  242   2HB   CYS  36          1HB       CYS  36  33.896  -0.892   0.434
  243    H    LYS  37           H        LYS  37  34.072  -1.260  -3.016
  244    HA   LYS  37           HA       LYS  37  31.803  -0.987  -4.926
  245   1HB   LYS  37          2HB       LYS  37  32.691   1.055  -5.815
  246   2HB   LYS  37          1HB       LYS  37  32.516   1.301  -4.090
  247   1HG   LYS  37          2HG       LYS  37  34.962   0.682  -3.806
  248   2HG   LYS  37          1HG       LYS  37  35.102   0.647  -5.546
  249   1HD   LYS  37          2HD       LYS  37  34.306   3.082  -3.931
  250   2HD   LYS  37          1HD       LYS  37  35.849   2.808  -4.716
  251   1HE   LYS  37          2HE       LYS  37  34.564   2.589  -6.913
  252   2HE   LYS  37          1HE       LYS  37  33.135   3.143  -6.052
  253   1HZ   LYS  37          3HZ       LYS  37  35.262   4.858  -5.476
  254   2HZ   LYS  37          2HZ       LYS  37  35.128   4.662  -7.165
  255   3HZ   LYS  37          1HZ       LYS  37  33.778   5.172  -6.246
  256    H    ALA  38           H        ALA  38  32.389  -1.481  -6.995
  257    HA   ALA  38           HA       ALA  38  35.093  -2.736  -7.368
  258   1HB   ALA  38          1HB       ALA  38  32.406  -3.584  -8.603
  259   2HB   ALA  38          3HB       ALA  38  33.949  -4.368  -8.878
  260   3HB   ALA  38          2HB       ALA  38  33.202  -4.447  -7.290
  261    H    HIS  39           H        HIS  39  34.285  -0.070  -7.603
  262    HA   HIS  39           HA       HIS  39  34.541   0.365 -10.568
  263   1HB   HIS  39          2HB       HIS  39  33.029   2.200  -8.653
  264   2HB   HIS  39          1HB       HIS  39  32.937   2.205 -10.405
  265    HD1  HIS  39           HD1      HIS  39  32.628  -1.024 -10.385
  266    HD2  HIS  39           HD2      HIS  39  30.386   1.791  -8.305
  267    HE1  HIS  39           HE1      HIS  39  30.443  -2.003  -9.808
  268    H    GLY  40           H        GLY  40  36.762   0.061  -9.254
  269   1HA   GLY  40          2HA       GLY  40  38.853   1.194  -8.936
  270   2HA   GLY  40          1HA       GLY  40  38.017   2.696  -9.392
  271    HA   PRO  41           HA       PRO  41  38.584   4.610  -8.495
  272   1HB   PRO  41          2HB       PRO  41  40.190   6.100  -6.849
  273   2HB   PRO  41          1HB       PRO  41  38.432   6.126  -6.659
  274   1HG   PRO  41          2HG       PRO  41  40.384   4.205  -5.283
  275   2HG   PRO  41          1HG       PRO  41  39.282   5.294  -4.436
  276   1HD   PRO  41          2HD       PRO  41  38.400   2.899  -4.778
  277   2HD   PRO  41          1HD       PRO  41  37.333   4.217  -5.280
  278    H    ASN  42           H        ASN  42  41.200   5.508  -8.755
  279    HA   ASN  42           HA       ASN  42  42.618   3.036  -9.449
  280   1HB   ASN  42          2HB       ASN  42  43.171   5.978 -10.176
  281   2HB   ASN  42          1HB       ASN  42  44.032   4.586 -10.818
  282   1HD2  ASN  42          2HD2      ASN  42  41.454   3.843 -13.150
  283   2HD2  ASN  42          1HD2      ASN  42  42.927   3.305 -12.488
  284    H    ILE  43           H        ILE  43  42.105   5.001  -6.935
  285    HA   ILE  43           HA       ILE  43  44.847   4.836  -6.201
  286    HB   ILE  43           HB       ILE  43  42.936   6.877  -4.947
  287   1HG1  ILE  43          2HG1      ILE  43  44.787   7.339  -7.365
  288   2HG1  ILE  43          1HG1      ILE  43  43.059   7.156  -7.515
  289   1HG2  ILE  43          3HG2      ILE  43  45.161   6.505  -3.799
  290   2HG2  ILE  43          2HG2      ILE  43  45.992   6.904  -5.293
  291   3HG2  ILE  43          1HG2      ILE  43  45.050   8.120  -4.447
  292   1HD1  ILE  43          1HD1      ILE  43  42.688   9.153  -6.075
  293   2HD1  ILE  43          3HD1      ILE  43  44.424   9.393  -5.960
  294   3HD1  ILE  43          2HD1      ILE  43  43.624   9.540  -7.507
  295    H    GLY  44           H        GLY  44  43.147   2.797  -5.704
  296   1HA   GLY  44          2HA       GLY  44  43.526   1.301  -3.725
  297   2HA   GLY  44          1HA       GLY  44  43.030   2.622  -2.685
  298    H    TRP  45           H        TRP  45  42.018  -0.074  -3.188
  299    HA   TRP  45           HA       TRP  45  39.360   0.283  -4.437
  300   1HB   TRP  45          2HB       TRP  45  39.990  -2.029  -2.585
  301   2HB   TRP  45          1HB       TRP  45  38.887  -1.994  -3.945
  302    HD1  TRP  45           HD1      TRP  45  42.684  -1.923  -3.205
  303    HE1  TRP  45           HE1      TRP  45  43.927  -2.892  -5.096
  304    HE3  TRP  45           HE3      TRP  45  38.782  -2.562  -6.378
  305    HZ2  TRP  45           HZ2      TRP  45  43.404  -3.821  -7.638
  306    HZ3  TRP  45           HZ3      TRP  45  39.237  -3.530  -8.613
  307    HH2  TRP  45           HH2      TRP  45  41.544  -4.161  -9.239
  308    H    CYS  46           H        CYS  46  37.435   1.004  -3.374
  309    HA   CYS  46           HA       CYS  46  37.704   1.381  -0.440
  310   1HB   CYS  46          2HB       CYS  46  35.393   1.991  -2.308
  311   2HB   CYS  46          1HB       CYS  46  35.598   2.589  -0.686
  312    H    CYS  47           H        CYS  47  37.273  -0.041   0.743
  313    HA   CYS  47           HA       CYS  47  35.336  -2.158   0.054
  314   1HB   CYS  47          2HB       CYS  47  38.077  -2.247   1.267
  315   2HB   CYS  47          1HB       CYS  47  37.025  -3.569   1.425
  316    H    LYS  48           H        LYS  48  35.088  -3.624   2.193
  317    HA   LYS  48           HA       LYS  48  35.025  -1.835   4.386
  318   1HB   LYS  48          2HB       LYS  48  33.025  -1.364   2.900
  319   2HB   LYS  48          1HB       LYS  48  32.509  -3.027   3.104
  320   1HG   LYS  48          2HG       LYS  48  31.348  -1.403   4.562
  321   2HG   LYS  48          1HG       LYS  48  32.195  -2.658   5.466
  322   1HD   LYS  48          2HD       LYS  48  34.027  -1.204   5.932
  323   2HD   LYS  48          1HD       LYS  48  33.564  -0.091   4.703
  324   1HE   LYS  48          2HE       LYS  48  33.082   0.687   7.112
  325   2HE   LYS  48          1HE       LYS  48  31.632   0.645   6.119
  326   1HZ   LYS  48          2HZ       LYS  48  31.946  -1.895   7.253
  327   2HZ   LYS  48          1HZ       LYS  48  32.164  -0.745   8.481
  328   3HZ   LYS  48          3HZ       LYS  48  30.756  -0.728   7.540
  329    H    LYS  49           H        LYS  49  34.574  -2.759   6.248
  330    HA   LYS  49           HA       LYS  49  35.520  -5.543   6.470
  331   1HB   LYS  49          2HB       LYS  49  34.631  -3.640   8.677
  332   2HB   LYS  49          1HB       LYS  49  35.542  -5.129   8.894
  333   1HG   LYS  49          2HG       LYS  49  37.353  -4.200   7.426
  334   2HG   LYS  49          1HG       LYS  49  36.451  -2.703   7.279
  335   1HD   LYS  49          2HD       LYS  49  38.105  -2.316   8.967
  336   2HD   LYS  49          1HD       LYS  49  36.569  -2.463   9.791
  337   1HE   LYS  49          2HE       LYS  49  37.070  -4.757  10.461
  338   2HE   LYS  49          1HE       LYS  49  38.521  -4.778   9.464
  339   1HZ   LYS  49          3HZ       LYS  49  38.640  -2.550  11.136
  340   2HZ   LYS  49          2HZ       LYS  49  38.222  -3.888  12.091
  341   3HZ   LYS  49          1HZ       LYS  49  39.629  -3.930  11.147
   
  No H/Q in entry =         341
  Start of MODEL   16
    1   1H    GLY   1          3H        GLY   1  43.033   6.054   7.019
    2   2H    GLY   1          2H        GLY   1  43.389   4.470   7.501
    3   3H    GLY   1          1H        GLY   1  44.268   5.187   6.234
    4   1HA   GLY   1          2HA       GLY   1  42.807   4.407   4.755
    5   2HA   GLY   1          1HA       GLY   1  41.887   3.704   6.089
    6    H    VAL   2           H        VAL   2  41.554   5.778   3.562
    7    HA   VAL   2           HA       VAL   2  39.749   7.643   4.982
    8    HB   VAL   2           HB       VAL   2  40.566   7.602   2.051
    9   1HG1  VAL   2          1HG1      VAL   2  38.490   8.907   2.485
   10   2HG1  VAL   2          3HG1      VAL   2  39.324   9.836   3.722
   11   3HG1  VAL   2          2HG1      VAL   2  39.815   9.961   2.042
   12   1HG2  VAL   2          1HG2      VAL   2  41.717   9.213   4.380
   13   2HG2  VAL   2          3HG2      VAL   2  42.551   7.918   3.542
   14   3HG2  VAL   2          2HG2      VAL   2  42.177   9.403   2.694
   15    HA   PRO   3           HA       PRO   3  36.224   5.329   3.382
   16   1HB   PRO   3          2HB       PRO   3  34.262   6.689   4.386
   17   2HB   PRO   3          1HB       PRO   3  35.357   5.815   5.472
   18   1HG   PRO   3          2HG       PRO   3  35.573   8.761   4.555
   19   2HG   PRO   3          1HG       PRO   3  35.451   8.218   6.229
   20   1HD   PRO   3          2HD       PRO   3  37.847   8.618   5.192
   21   2HD   PRO   3          1HD       PRO   3  37.622   7.176   6.184
   22    H    CYS   4           H        CYS   4  35.342   5.311   1.503
   23    HA   CYS   4           HA       CYS   4  34.755   7.888   0.141
   24   1HB   CYS   4          2HB       CYS   4  35.235   6.207  -1.934
   25   2HB   CYS   4          1HB       CYS   4  36.473   7.171  -1.177
   26    H    LEU   5           H        LEU   5  33.350   7.343  -1.861
   27    HA   LEU   5           HA       LEU   5  30.875   6.149  -0.801
   28   1HB   LEU   5          2HB       LEU   5  30.970   8.460  -2.052
   29   2HB   LEU   5          1HB       LEU   5  31.286   7.541  -3.502
   30    HG   LEU   5           HG       LEU   5  29.058   6.199  -2.754
   31   1HD1  LEU   5          1HD1      LEU   5  28.824   7.476  -0.584
   32   2HD1  LEU   5          3HD1      LEU   5  28.642   8.951  -1.500
   33   3HD1  LEU   5          2HD1      LEU   5  27.429   7.687  -1.622
   34   1HD2  LEU   5          2HD2      LEU   5  29.294   7.444  -4.866
   35   2HD2  LEU   5          1HD2      LEU   5  27.718   7.699  -4.154
   36   3HD2  LEU   5          3HD2      LEU   5  28.941   8.953  -4.037
   37    H    CYS   6           H        CYS   6  29.922   4.378  -1.879
   38    HA   CYS   6           HA       CYS   6  31.693   2.978  -3.789
   39   1HB   CYS   6          2HB       CYS   6  29.872   1.408  -1.963
   40   2HB   CYS   6          1HB       CYS   6  31.279   0.960  -2.833
   41    H    ASP   7           H        ASP   7  30.284   0.964  -4.533
   42    HA   ASP   7           HA       ASP   7  28.242   2.133  -6.343
   43   1HB   ASP   7          2HB       ASP   7  29.872   0.590  -7.306
   44   2HB   ASP   7          1HB       ASP   7  29.446  -0.667  -6.166
   45    H    SER   8           H        SER   8  28.530  -0.507  -4.106
   46    HA   SER   8           HA       SER   8  25.790  -1.264  -3.931
   47   1HB   SER   8          2HB       SER   8  27.734  -1.686  -1.639
   48   2HB   SER   8          1HB       SER   8  26.667  -2.872  -2.416
   49    HG   SER   8           HG       SER   8  29.228  -2.253  -3.057
   50    H    ASP   9           H        ASP   9  27.866   0.938  -2.436
   51    HA   ASP   9           HA       ASP   9  26.610   1.765  -0.073
   52   1HB   ASP   9          2HB       ASP   9  28.857   2.591  -0.903
   53   2HB   ASP   9          1HB       ASP   9  28.053   3.469  -2.164
   54    H    GLY  10           H        GLY  10  26.375   3.544  -3.080
   55   1HA   GLY  10          2HA       GLY  10  24.642   4.710  -4.090
   56   2HA   GLY  10          1HA       GLY  10  23.539   3.615  -3.257
   57    HA   PRO  11           HA       PRO  11  23.304   7.824  -1.222
   58   1HB   PRO  11          2HB       PRO  11  21.410   9.167  -2.552
   59   2HB   PRO  11          1HB       PRO  11  23.014   9.053  -3.295
   60   1HG   PRO  11          2HG       PRO  11  20.612   7.169  -3.709
   61   2HG   PRO  11          1HG       PRO  11  21.477   8.074  -4.951
   62   1HD   PRO  11          2HD       PRO  11  22.219   5.508  -4.423
   63   2HD   PRO  11          1HD       PRO  11  23.472   6.725  -4.733
   64    H    ARG  12           H        ARG  12  22.336   5.257  -0.679
   65    HA   ARG  12           HA       ARG  12  19.457   5.496  -0.113
   66   1HB   ARG  12          2HB       ARG  12  21.469   3.282   0.107
   67   2HB   ARG  12          1HB       ARG  12  19.924   3.135   0.914
   68   1HG   ARG  12          2HG       ARG  12  19.690   2.143  -1.259
   69   2HG   ARG  12          1HG       ARG  12  18.761   3.615  -1.252
   70   1HD   ARG  12          2HD       ARG  12  20.494   4.799  -2.536
   71   2HD   ARG  12          1HD       ARG  12  21.564   3.406  -2.426
   72    HE   ARG  12           HE       ARG  12  20.354   2.418  -4.181
   73   1HH1  ARG  12          2HH1      ARG  12  17.849   1.847  -3.851
   74   2HH1  ARG  12          1HH1      ARG  12  16.850   3.090  -4.518
   75   1HH2  ARG  12          1HH2      ARG  12  19.481   5.435  -4.451
   76   2HH2  ARG  12          2HH2      ARG  12  17.819   5.212  -4.865
   77    HA   PRO  13           HA       PRO  13  19.881   6.488   4.218
   78   1HB   PRO  13          2HB       PRO  13  17.610   5.538   5.273
   79   2HB   PRO  13          1HB       PRO  13  17.583   6.795   4.021
   80   1HG   PRO  13          2HG       PRO  13  17.445   3.744   3.596
   81   2HG   PRO  13          1HG       PRO  13  16.205   4.917   3.135
   82   1HD   PRO  13          2HD       PRO  13  18.046   4.219   1.330
   83   2HD   PRO  13          1HD       PRO  13  17.623   5.936   1.460
   84    H    ARG  14           H        ARG  14  21.652   4.797   3.761
   85    HA   ARG  14           HA       ARG  14  21.987   3.246   6.123
   86   1HB   ARG  14          2HB       ARG  14  22.208   0.994   4.854
   87   2HB   ARG  14          1HB       ARG  14  20.592   1.525   5.231
   88   1HG   ARG  14          2HG       ARG  14  20.198   2.318   2.977
   89   2HG   ARG  14          1HG       ARG  14  21.870   2.115   2.509
   90   1HD   ARG  14          2HD       ARG  14  20.286  -0.286   3.469
   91   2HD   ARG  14          1HD       ARG  14  20.103   0.292   1.822
   92    HE   ARG  14           HE       ARG  14  22.075  -0.880   1.396
   93   1HH1  ARG  14          2HH1      ARG  14  23.691   1.322   2.546
   94   2HH1  ARG  14          1HH1      ARG  14  24.691   0.502   3.678
   95   1HH2  ARG  14          1HH2      ARG  14  22.598  -2.337   3.722
   96   2HH2  ARG  14          2HH2      ARG  14  24.035  -1.646   4.394
   97    H    GLY  15           H        GLY  15  24.064   3.558   6.503
   98   1HA   GLY  15          2HA       GLY  15  26.392   3.856   6.162
   99   2HA   GLY  15          1HA       GLY  15  26.201   2.641   4.896
  100    H    ASN  16           H        ASN  16  24.514   5.621   4.917
  101    HA   ASN  16           HA       ASN  16  25.217   6.355   2.239
  102   1HB   ASN  16          2HB       ASN  16  23.215   7.173   3.791
  103   2HB   ASN  16          1HB       ASN  16  24.352   8.397   4.337
  104   1HD2  ASN  16          2HD2      ASN  16  22.925   8.619   0.545
  105   2HD2  ASN  16          1HD2      ASN  16  22.809   7.119   1.353
  106    H    THR  17           H        THR  17  26.456   7.449   5.335
  107    HA   THR  17           HA       THR  17  28.712   8.859   3.978
  108    HB   THR  17           HB       THR  17  27.520  10.338   5.633
  109    HG1  THR  17           HG1      THR  17  29.478  10.911   6.228
  110   1HG2  THR  17          3HG2      THR  17  26.619   8.445   7.163
  111   2HG2  THR  17          2HG2      THR  17  28.261   8.226   7.740
  112   3HG2  THR  17          1HG2      THR  17  27.426   9.738   8.029
  113    H    LEU  18           H        LEU  18  30.786   8.384   4.816
  114    HA   LEU  18           HA       LEU  18  32.458   6.721   5.024
  115   1HB   LEU  18          2HB       LEU  18  31.689   7.746   7.423
  116   2HB   LEU  18          1HB       LEU  18  31.201   6.090   7.711
  117    HG   LEU  18           HG       LEU  18  33.972   6.920   6.773
  118   1HD1  LEU  18          1HD1      LEU  18  33.143   6.202   9.580
  119   2HD1  LEU  18          3HD1      LEU  18  34.793   6.444   9.017
  120   3HD1  LEU  18          2HD1      LEU  18  33.658   7.780   8.998
  121   1HD2  LEU  18          2HD2      LEU  18  32.948   4.239   7.807
  122   2HD2  LEU  18          1HD2      LEU  18  33.434   4.569   6.156
  123   3HD2  LEU  18          3HD2      LEU  18  34.627   4.580   7.426
  124    H    SER  19           H        SER  19  31.192   5.587   3.350
  125    HA   SER  19           HA       SER  19  29.798   3.128   4.212
  126   1HB   SER  19          2HB       SER  19  29.348   4.851   2.148
  127   2HB   SER  19          1HB       SER  19  30.400   3.702   1.318
  128    HG   SER  19           HG       SER  19  27.860   3.426   2.302
  129    H    GLY  20           H        GLY  20  32.202   3.012   5.170
  130   1HA   GLY  20          2HA       GLY  20  33.695   1.071   5.266
  131   2HA   GLY  20          1HA       GLY  20  33.543   0.903   3.516
  132    H    ILE  21           H        ILE  21  35.958   0.757   3.695
  133    HA   ILE  21           HA       ILE  21  37.136   3.499   3.502
  134    HB   ILE  21           HB       ILE  21  38.232   1.116   5.032
  135   1HG1  ILE  21          2HG1      ILE  21  36.650   2.575   6.293
  136   2HG1  ILE  21          1HG1      ILE  21  38.254   2.551   7.001
  137   1HG2  ILE  21          1HG2      ILE  21  39.784   3.600   4.303
  138   2HG2  ILE  21          3HG2      ILE  21  40.264   2.427   5.531
  139   3HG2  ILE  21          2HG2      ILE  21  40.129   1.935   3.869
  140   1HD1  ILE  21          3HD1      ILE  21  38.786   4.691   5.815
  141   2HD1  ILE  21          2HD1      ILE  21  37.175   4.669   5.129
  142   3HD1  ILE  21          1HD1      ILE  21  37.391   4.876   6.832
  143    H    LEU  22           H        LEU  22  38.786   3.811   2.123
  144    HA   LEU  22           HA       LEU  22  38.893   2.126  -0.210
  145   1HB   LEU  22          2HB       LEU  22  40.318   3.840  -1.111
  146   2HB   LEU  22          1HB       LEU  22  39.129   4.619  -0.104
  147    HG   LEU  22           HG       LEU  22  40.799   4.889   1.727
  148   1HD1  LEU  22          3HD1      LEU  22  42.822   4.062  -0.408
  149   2HD1  LEU  22          2HD1      LEU  22  43.228   4.779   1.134
  150   3HD1  LEU  22          1HD1      LEU  22  42.569   3.179   1.082
  151   1HD2  LEU  22          2HD2      LEU  22  40.278   6.703   0.065
  152   2HD2  LEU  22          1HD2      LEU  22  41.968   6.793   0.538
  153   3HD2  LEU  22          3HD2      LEU  22  41.521   6.074  -1.000
  154    H    TRP  23           H        TRP  23  40.743   0.933  -0.985
  155    HA   TRP  23           HA       TRP  23  42.693   0.339   1.134
  156   1HB   TRP  23          2HB       TRP  23  40.846  -1.556  -0.196
  157   2HB   TRP  23          1HB       TRP  23  42.483  -2.155   0.013
  158    HD1  TRP  23           HD1      TRP  23  39.409  -1.456   2.104
  159    HE1  TRP  23           HE1      TRP  23  39.955  -1.606   4.559
  160    HE3  TRP  23           HE3      TRP  23  44.276  -1.659   1.610
  161    HZ2  TRP  23           HZ2      TRP  23  42.307  -1.736   6.128
  162    HZ3  TRP  23           HZ3      TRP  23  45.803  -1.733   3.537
  163    HH2  TRP  23           HH2      TRP  23  44.788  -1.801   5.867
  164    H    PHE  24           H        PHE  24  44.438   0.057   0.836
  165    HA   PHE  24           HA       PHE  24  45.687   0.528  -1.739
  166   1HB   PHE  24          2HB       PHE  24  46.314   0.792   1.200
  167   2HB   PHE  24          1HB       PHE  24  47.716   0.392   0.302
  168    HD1  PHE  24           HD1      PHE  24  44.724   2.558  -0.526
  169    HD2  PHE  24           HD2      PHE  24  48.931   2.470   0.168
  170    HE1  PHE  24           HE1      PHE  24  44.869   4.934  -1.070
  171    HE2  PHE  24           HE2      PHE  24  49.062   4.860  -0.377
  172    HZ   PHE  24           HZ       PHE  24  47.030   6.097  -0.999
  173    H    TYR  25           H        TYR  25  44.652  -1.797  -1.988
  174    HA   TYR  25           HA       TYR  25  46.888  -3.700  -1.573
  175   1HB   TYR  25          2HB       TYR  25  44.055  -3.997  -0.921
  176   2HB   TYR  25          1HB       TYR  25  44.661  -5.350  -1.849
  177    HD1  TYR  25           HD2      TYR  25  45.442  -3.231   1.142
  178    HD2  TYR  25           HD1      TYR  25  46.065  -6.902  -0.881
  179    HE1  TYR  25           HE2      TYR  25  46.632  -4.082   3.103
  180    HE2  TYR  25           HE1      TYR  25  47.262  -7.775   1.089
  181    HH   TYR  25           HH       TYR  25  47.342  -6.071   4.099
  182    HA   PRO  26           HA       PRO  26  46.797  -3.567  -5.972
  183   1HB   PRO  26          2HB       PRO  26  48.929  -5.207  -6.528
  184   2HB   PRO  26          1HB       PRO  26  49.172  -3.599  -5.823
  185   1HG   PRO  26          2HG       PRO  26  48.833  -6.259  -4.310
  186   2HG   PRO  26          1HG       PRO  26  50.191  -5.132  -4.201
  187   1HD   PRO  26          2HD       PRO  26  48.198  -4.892  -2.400
  188   2HD   PRO  26          1HD       PRO  26  48.771  -3.390  -3.147
  189    H    SER  27           H        SER  27  46.072  -6.194  -4.035
  190    HA   SER  27           HA       SER  27  45.167  -7.833  -6.346
  191   1HB   SER  27          2HB       SER  27  45.062  -9.605  -4.420
  192   2HB   SER  27          1HB       SER  27  46.676  -9.073  -4.929
  193    HG   SER  27           HG       SER  27  45.545  -8.786  -2.568
  194    H    GLY  28           H        GLY  28  43.983  -5.513  -4.432
  195   1HA   GLY  28          2HA       GLY  28  41.499  -5.131  -4.793
  196   2HA   GLY  28          1HA       GLY  28  41.268  -6.759  -4.153
  197    H    CYS  29           H        CYS  29  40.889  -6.853  -1.915
  198    HA   CYS  29           HA       CYS  29  41.922  -4.655  -0.246
  199   1HB   CYS  29          2HB       CYS  29  39.203  -5.740  -0.618
  200   2HB   CYS  29          1HB       CYS  29  39.672  -5.132   0.925
  201    HA   PRO  30           HA       PRO  30  43.521  -7.715   2.141
  202   1HB   PRO  30          2HB       PRO  30  43.947  -6.566   4.518
  203   2HB   PRO  30          1HB       PRO  30  44.540  -5.789   3.044
  204   1HG   PRO  30          2HG       PRO  30  41.881  -5.288   4.411
  205   2HG   PRO  30          1HG       PRO  30  43.083  -4.102   4.119
  206   1HD   PRO  30          2HD       PRO  30  41.030  -4.510   2.399
  207   2HD   PRO  30          1HD       PRO  30  42.614  -4.123   1.741
  208    H    SER  31           H        SER  31  43.469  -9.098   3.937
  209    HA   SER  31           HA       SER  31  41.140 -10.560   4.240
  210   1HB   SER  31          2HB       SER  31  43.452 -11.401   4.845
  211   2HB   SER  31          1HB       SER  31  43.377 -10.408   6.316
  212    HG   SER  31           HG       SER  31  42.094 -11.860   7.132
  213    H    GLY  32           H        GLY  32  39.383 -10.022   5.086
  214   1HA   GLY  32          2HA       GLY  32  38.083  -9.647   7.225
  215   2HA   GLY  32          1HA       GLY  32  39.233  -8.371   7.604
  216    H    TRP  33           H        TRP  33  38.862  -7.979   4.436
  217    HA   TRP  33           HA       TRP  33  36.610  -6.119   4.790
  218   1HB   TRP  33          2HB       TRP  33  38.961  -6.063   2.820
  219   2HB   TRP  33          1HB       TRP  33  37.743  -4.844   2.893
  220    HD1  TRP  33           HD1      TRP  33  40.364  -6.337   5.432
  221    HE1  TRP  33           HE1      TRP  33  40.975  -4.564   7.058
  222    HE3  TRP  33           HE3      TRP  33  37.298  -2.830   3.709
  223    HZ2  TRP  33           HZ2      TRP  33  40.250  -1.918   7.563
  224    HZ3  TRP  33           HZ3      TRP  33  37.234  -0.621   4.771
  225    HH2  TRP  33           HH2      TRP  33  38.748  -0.154   6.735
  226    H    HIS  34           H        HIS  34  35.251  -5.971   2.891
  227    HA   HIS  34           HA       HIS  34  35.386  -8.415   1.164
  228   1HB   HIS  34          2HB       HIS  34  34.062  -8.819   3.227
  229   2HB   HIS  34          1HB       HIS  34  32.971  -7.522   2.768
  230    HD1  HIS  34           HD1      HIS  34  34.188 -10.834   1.429
  231    HD2  HIS  34           HD2      HIS  34  30.924  -8.276   1.160
  232    HE1  HIS  34           HE1      HIS  34  32.391 -11.946   0.085
  233    H    ASN  35           H        ASN  35  35.893  -5.698   0.511
  234    HA   ASN  35           HA       ASN  35  35.585  -4.190  -1.079
  235   1HB   ASN  35          2HB       ASN  35  34.024  -6.335  -2.526
  236   2HB   ASN  35          1HB       ASN  35  35.078  -5.038  -3.102
  237   1HD2  ASN  35          2HD2      ASN  35  37.047  -8.229  -3.137
  238   2HD2  ASN  35          1HD2      ASN  35  35.525  -7.839  -3.786
  239    H    CYS  36           H        CYS  36  34.441  -2.453  -1.603
  240    HA   CYS  36           HA       CYS  36  31.548  -2.455  -0.898
  241   1HB   CYS  36          2HB       CYS  36  31.880  -0.387   0.027
  242   2HB   CYS  36          1HB       CYS  36  33.463  -1.001   0.295
  243    H    LYS  37           H        LYS  37  34.012  -1.370  -3.118
  244    HA   LYS  37           HA       LYS  37  31.964  -1.061  -5.272
  245   1HB   LYS  37          2HB       LYS  37  32.713   1.143  -4.297
  246   2HB   LYS  37          1HB       LYS  37  34.347   0.769  -4.783
  247   1HG   LYS  37          2HG       LYS  37  33.901   1.061  -7.052
  248   2HG   LYS  37          1HG       LYS  37  32.220   0.554  -6.917
  249   1HD   LYS  37          2HD       LYS  37  31.739   2.660  -5.685
  250   2HD   LYS  37          1HD       LYS  37  33.400   3.183  -5.910
  251   1HE   LYS  37          2HE       LYS  37  33.016   3.302  -8.315
  252   2HE   LYS  37          1HE       LYS  37  31.425   2.555  -8.135
  253   1HZ   LYS  37          2HZ       LYS  37  31.589   4.723  -6.395
  254   2HZ   LYS  37          1HZ       LYS  37  32.116   5.237  -7.931
  255   3HZ   LYS  37          3HZ       LYS  37  30.576   4.527  -7.740
  256    H    ALA  38           H        ALA  38  32.608  -1.783  -7.165
  257    HA   ALA  38           HA       ALA  38  35.274  -3.133  -7.431
  258   1HB   ALA  38          2HB       ALA  38  32.575  -3.946  -8.646
  259   2HB   ALA  38          1HB       ALA  38  34.094  -4.794  -8.871
  260   3HB   ALA  38          3HB       ALA  38  33.336  -4.760  -7.282
  261    H    HIS  39           H        HIS  39  34.415  -0.447  -7.914
  262    HA   HIS  39           HA       HIS  39  35.017  -0.270 -10.841
  263   1HB   HIS  39          2HB       HIS  39  33.057   1.571  -9.422
  264   2HB   HIS  39          1HB       HIS  39  33.213   1.355 -11.153
  265    HD1  HIS  39           HD1      HIS  39  33.068  -1.821 -10.906
  266    HD2  HIS  39           HD2      HIS  39  30.509   0.939  -9.180
  267    HE1  HIS  39           HE1      HIS  39  30.910  -2.917 -10.437
  268    H    GLY  40           H        GLY  40  37.076  -0.168  -9.376
  269   1HA   GLY  40          2HA       GLY  40  38.943   1.233  -8.896
  270   2HA   GLY  40          1HA       GLY  40  37.945   2.620  -9.388
  271    HA   PRO  41           HA       PRO  41  38.543   4.426  -8.406
  272   1HB   PRO  41          2HB       PRO  41  39.600   6.138  -6.639
  273   2HB   PRO  41          1HB       PRO  41  37.851   5.870  -6.654
  274   1HG   PRO  41          2HG       PRO  41  39.897   4.333  -4.943
  275   2HG   PRO  41          1HG       PRO  41  38.541   5.279  -4.339
  276   1HD   PRO  41          2HD       PRO  41  38.136   2.693  -4.718
  277   2HD   PRO  41          1HD       PRO  41  36.900   3.835  -5.261
  278    H    ASN  42           H        ASN  42  40.986   5.678  -8.123
  279    HA   ASN  42           HA       ASN  42  42.840   3.461  -8.571
  280   1HB   ASN  42          2HB       ASN  42  44.283   5.236  -9.584
  281   2HB   ASN  42          1HB       ASN  42  42.709   5.295 -10.356
  282   1HD2  ASN  42          2HD2      ASN  42  42.006   8.532  -9.084
  283   2HD2  ASN  42          1HD2      ASN  42  41.367   7.201  -9.923
  284    H    ILE  43           H        ILE  43  41.778   5.640  -6.363
  285    HA   ILE  43           HA       ILE  43  44.308   5.714  -5.144
  286    HB   ILE  43           HB       ILE  43  43.148   7.227  -3.333
  287   1HG1  ILE  43          2HG1      ILE  43  40.809   7.136  -5.267
  288   2HG1  ILE  43          1HG1      ILE  43  40.857   6.146  -3.812
  289   1HG2  ILE  43          3HG2      ILE  43  44.336   8.226  -5.273
  290   2HG2  ILE  43          2HG2      ILE  43  42.899   8.080  -6.260
  291   3HG2  ILE  43          1HG2      ILE  43  42.921   9.176  -4.892
  292   1HD1  ILE  43          3HD1      ILE  43  41.007   9.197  -3.894
  293   2HD1  ILE  43          2HD1      ILE  43  39.612   8.254  -3.416
  294   3HD1  ILE  43          1HD1      ILE  43  41.066   8.222  -2.434
  295    H    GLY  44           H        GLY  44  42.865   3.391  -5.287
  296   1HA   GLY  44          2HA       GLY  44  43.336   1.487  -3.735
  297   2HA   GLY  44          1HA       GLY  44  42.774   2.504  -2.407
  298    H    TRP  45           H        TRP  45  41.874  -0.092  -3.642
  299    HA   TRP  45           HA       TRP  45  39.241   0.293  -4.836
  300   1HB   TRP  45          2HB       TRP  45  39.806  -2.055  -2.982
  301   2HB   TRP  45          1HB       TRP  45  38.777  -2.032  -4.397
  302    HD1  TRP  45           HD1      TRP  45  42.490  -1.938  -3.406
  303    HE1  TRP  45           HE1      TRP  45  43.898  -2.896  -5.189
  304    HE3  TRP  45           HE3      TRP  45  38.896  -2.620  -6.921
  305    HZ2  TRP  45           HZ2      TRP  45  43.626  -3.819  -7.745
  306    HZ3  TRP  45           HZ3      TRP  45  39.572  -3.594  -9.100
  307    HH2  TRP  45           HH2      TRP  45  41.935  -4.188  -9.510
  308    H    CYS  46           H        CYS  46  37.080   0.791  -3.712
  309    HA   CYS  46           HA       CYS  46  37.459   1.351  -0.849
  310   1HB   CYS  46          2HB       CYS  46  35.289   1.847  -2.810
  311   2HB   CYS  46          1HB       CYS  46  35.214   2.393  -1.156
  312    H    CYS  47           H        CYS  47  36.969   0.084   0.571
  313    HA   CYS  47           HA       CYS  47  35.045  -2.080   0.092
  314   1HB   CYS  47          2HB       CYS  47  37.794  -2.211   1.217
  315   2HB   CYS  47          1HB       CYS  47  36.698  -3.513   1.389
  316    H    LYS  48           H        LYS  48  35.114  -3.362   2.406
  317    HA   LYS  48           HA       LYS  48  34.988  -1.420   4.506
  318   1HB   LYS  48          2HB       LYS  48  32.791  -1.657   5.139
  319   2HB   LYS  48          1HB       LYS  48  32.729  -1.320   3.430
  320   1HG   LYS  48          2HG       LYS  48  32.403  -4.014   4.787
  321   2HG   LYS  48          1HG       LYS  48  31.219  -3.004   4.015
  322   1HD   LYS  48          2HD       LYS  48  32.829  -3.096   1.986
  323   2HD   LYS  48          1HD       LYS  48  33.639  -4.363   2.827
  324   1HE   LYS  48          2HE       LYS  48  32.224  -5.720   1.551
  325   2HE   LYS  48          1HE       LYS  48  31.351  -5.597   3.060
  326   1HZ   LYS  48          3HZ       LYS  48  30.576  -3.463   1.420
  327   2HZ   LYS  48          2HZ       LYS  48  30.580  -4.896   0.514
  328   3HZ   LYS  48          1HZ       LYS  48  29.652  -4.795   1.955
  329    H    LYS  49           H        LYS  49  34.275  -2.574   6.459
  330    HA   LYS  49           HA       LYS  49  35.681  -5.217   6.602
  331   1HB   LYS  49          2HB       LYS  49  34.814  -3.351   8.852
  332   2HB   LYS  49          1HB       LYS  49  35.685  -4.857   9.051
  333   1HG   LYS  49          2HG       LYS  49  37.453  -3.889   7.440
  334   2HG   LYS  49          1HG       LYS  49  36.622  -2.354   7.592
  335   1HD   LYS  49          2HD       LYS  49  38.497  -2.369   9.145
  336   2HD   LYS  49          1HD       LYS  49  37.014  -2.416  10.075
  337   1HE   LYS  49          2HE       LYS  49  37.270  -4.863  10.409
  338   2HE   LYS  49          1HE       LYS  49  38.673  -4.875   9.347
  339   1HZ   LYS  49          2HZ       LYS  49  39.114  -2.962  11.326
  340   2HZ   LYS  49          1HZ       LYS  49  38.554  -4.369  12.092
  341   3HZ   LYS  49          3HZ       LYS  49  39.915  -4.442  11.078
   
  No H/Q in entry =         341
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  42.095   4.647   7.429
    2   2H    GLY   1          3H        GLY   1  42.583   3.118   6.878
    3   3H    GLY   1          2H        GLY   1  43.704   4.399   6.928
    4   1HA   GLY   1          2HA       GLY   1  43.152   4.995   4.874
    5   2HA   GLY   1          1HA       GLY   1  42.009   3.648   4.814
    6    H    VAL   2           H        VAL   2  41.366   6.014   3.510
    7    HA   VAL   2           HA       VAL   2  39.663   7.569   5.344
    8    HB   VAL   2           HB       VAL   2  39.995   7.855   2.323
    9   1HG1  VAL   2          2HG1      VAL   2  37.965   8.983   3.247
   10   2HG1  VAL   2          1HG1      VAL   2  38.960   9.839   4.413
   11   3HG1  VAL   2          3HG1      VAL   2  39.138  10.153   2.697
   12   1HG2  VAL   2          1HG2      VAL   2  41.464   9.295   4.587
   13   2HG2  VAL   2          3HG2      VAL   2  42.198   8.147   3.485
   14   3HG2  VAL   2          2HG2      VAL   2  41.611   9.683   2.885
   15    HA   PRO   3           HA       PRO   3  36.034   5.192   4.112
   16   1HB   PRO   3          2HB       PRO   3  34.059   6.712   5.133
   17   2HB   PRO   3          1HB       PRO   3  35.122   5.789   6.202
   18   1HG   PRO   3          2HG       PRO   3  35.518   8.703   5.268
   19   2HG   PRO   3          1HG       PRO   3  35.394   8.144   6.940
   20   1HD   PRO   3          2HD       PRO   3  37.832   8.412   5.883
   21   2HD   PRO   3          1HD       PRO   3  37.504   6.919   6.787
   22    H    CYS   4           H        CYS   4  34.901   5.202   2.252
   23    HA   CYS   4           HA       CYS   4  34.516   7.776   0.809
   24   1HB   CYS   4          2HB       CYS   4  35.142   5.998  -1.219
   25   2HB   CYS   4          1HB       CYS   4  36.256   7.135  -0.496
   26    H    LEU   5           H        LEU   5  33.171   7.331  -1.264
   27    HA   LEU   5           HA       LEU   5  30.773   5.797  -0.401
   28   1HB   LEU   5          2HB       LEU   5  31.027   8.405  -1.395
   29   2HB   LEU   5          1HB       LEU   5  30.633   7.516  -2.827
   30    HG   LEU   5           HG       LEU   5  28.521   8.160  -1.962
   31   1HD1  LEU   5          1HD1      LEU   5  28.480   5.668  -2.379
   32   2HD1  LEU   5          3HD1      LEU   5  28.816   5.391  -0.686
   33   3HD1  LEU   5          2HD1      LEU   5  27.337   6.178  -1.162
   34   1HD2  LEU   5          1HD2      LEU   5  29.529   7.445   0.827
   35   2HD2  LEU   5          3HD2      LEU   5  29.334   9.060   0.159
   36   3HD2  LEU   5          2HD2      LEU   5  27.930   8.056   0.430
   37    H    CYS   6           H        CYS   6  30.063   4.109  -1.793
   38    HA   CYS   6           HA       CYS   6  31.962   3.452  -3.975
   39   1HB   CYS   6          2HB       CYS   6  30.358   1.344  -2.506
   40   2HB   CYS   6          1HB       CYS   6  31.959   1.319  -3.194
   41    H    ASP   7           H        ASP   7  30.205   1.002  -4.514
   42    HA   ASP   7           HA       ASP   7  29.158   2.013  -6.988
   43   1HB   ASP   7          2HB       ASP   7  28.255  -0.210  -7.283
   44   2HB   ASP   7          1HB       ASP   7  29.702  -0.432  -6.317
   45    H    SER   8           H        SER   8  27.979   2.205  -3.851
   46    HA   SER   8           HA       SER   8  25.148   2.694  -4.626
   47   1HB   SER   8          2HB       SER   8  25.525   1.377  -2.541
   48   2HB   SER   8          1HB       SER   8  26.541   2.656  -1.876
   49    HG   SER   8           HG       SER   8  24.378   3.937  -2.527
   50    H    ASP   9           H        ASP   9  27.809   4.286  -4.971
   51    HA   ASP   9           HA       ASP   9  27.220   6.889  -3.778
   52   1HB   ASP   9          2HB       ASP   9  29.600   6.239  -4.093
   53   2HB   ASP   9          1HB       ASP   9  29.377   5.990  -5.801
   54    H    GLY  10           H        GLY  10  25.119   6.975  -4.650
   55   1HA   GLY  10          2HA       GLY  10  24.729   7.162  -7.541
   56   2HA   GLY  10          1HA       GLY  10  23.541   7.629  -6.308
   57    HA   PRO  11           HA       PRO  11  25.313  11.573  -8.018
   58   1HB   PRO  11          2HB       PRO  11  23.038  12.910  -8.556
   59   2HB   PRO  11          1HB       PRO  11  23.509  11.571  -9.619
   60   1HG   PRO  11          2HG       PRO  11  21.657  11.461  -7.164
   61   2HG   PRO  11          1HG       PRO  11  21.282  10.943  -8.810
   62   1HD   PRO  11          2HD       PRO  11  22.179   9.123  -7.024
   63   2HD   PRO  11          1HD       PRO  11  22.784   9.048  -8.689
   64    H    ARG  12           H        ARG  12  25.277  10.781  -5.391
   65    HA   ARG  12           HA       ARG  12  24.395  13.212  -3.924
   66   1HB   ARG  12          2HB       ARG  12  23.586  10.588  -3.504
   67   2HB   ARG  12          1HB       ARG  12  24.877  10.779  -2.334
   68   1HG   ARG  12          2HG       ARG  12  23.758  12.888  -1.512
   69   2HG   ARG  12          1HG       ARG  12  22.449  12.584  -2.644
   70   1HD   ARG  12          2HD       ARG  12  22.116  10.360  -1.628
   71   2HD   ARG  12          1HD       ARG  12  23.391  10.715  -0.464
   72    HE   ARG  12           HE       ARG  12  21.917  12.225   0.663
   73   1HH1  ARG  12          1HH2      ARG  12  20.252  10.128  -1.193
   74   2HH1  ARG  12          2HH2      ARG  12  18.819  11.076  -1.403
   75   1HH2  ARG  12          2HH1      ARG  12  20.339  13.955  -0.060
   76   2HH2  ARG  12          1HH1      ARG  12  18.883  13.325  -0.736
   77    HA   PRO  13           HA       PRO  13  28.734  13.717  -3.495
   78   1HB   PRO  13          2HB       PRO  13  28.916  15.470  -1.380
   79   2HB   PRO  13          1HB       PRO  13  28.301  15.978  -2.965
   80   1HG   PRO  13          2HG       PRO  13  26.715  14.902  -0.577
   81   2HG   PRO  13          1HG       PRO  13  26.464  16.439  -1.406
   82   1HD   PRO  13          2HD       PRO  13  24.954  14.395  -2.190
   83   2HD   PRO  13          1HD       PRO  13  25.755  15.326  -3.466
   84    H    ARG  14           H        ARG  14  30.504  13.341  -2.322
   85    HA   ARG  14           HA       ARG  14  30.468  10.994  -0.672
   86   1HB   ARG  14          2HB       ARG  14  32.954  11.324  -0.643
   87   2HB   ARG  14          1HB       ARG  14  32.317  11.496  -2.266
   88   1HG   ARG  14          2HG       ARG  14  32.280  14.015  -1.944
   89   2HG   ARG  14          1HG       ARG  14  33.016  13.791  -0.368
   90   1HD   ARG  14          2HD       ARG  14  34.981  12.705  -1.448
   91   2HD   ARG  14          1HD       ARG  14  34.262  13.012  -3.029
   92    HE   ARG  14           HE       ARG  14  34.249  15.501  -1.800
   93   1HH1  ARG  14          1HH2      ARG  14  36.678  13.691  -0.789
   94   2HH1  ARG  14          2HH2      ARG  14  37.976  14.495  -1.613
   95   1HH2  ARG  14          2HH1      ARG  14  35.755  16.292  -3.671
   96   2HH2  ARG  14          1HH1      ARG  14  37.423  16.015  -3.318
   97    H    GLY  15           H        GLY  15  31.073  10.831   1.521
   98   1HA   GLY  15          2HA       GLY  15  31.729  11.782   3.673
   99   2HA   GLY  15          1HA       GLY  15  31.167  13.361   3.123
  100    H    ASN  16           H        ASN  16  28.760  12.223   1.943
  101    HA   ASN  16           HA       ASN  16  26.841  12.670   3.879
  102   1HB   ASN  16          2HB       ASN  16  26.723  10.757   1.503
  103   2HB   ASN  16          1HB       ASN  16  25.312  11.228   2.447
  104   1HD2  ASN  16          2HD2      ASN  16  25.163  13.663  -0.168
  105   2HD2  ASN  16          1HD2      ASN  16  24.654  12.087   0.211
  106    H    THR  17           H        THR  17  28.361   9.583   3.159
  107    HA   THR  17           HA       THR  17  27.669   8.611   5.840
  108    HB   THR  17           HB       THR  17  25.689   7.850   4.446
  109    HG1  THR  17           HG1      THR  17  25.929   6.046   5.568
  110   1HG2  THR  17          2HG2      THR  17  27.831   6.308   2.878
  111   2HG2  THR  17          1HG2      THR  17  26.098   6.202   2.617
  112   3HG2  THR  17          3HG2      THR  17  26.954   7.685   2.229
  113    H    LEU  18           H        LEU  18  28.977   6.825   6.403
  114    HA   LEU  18           HA       LEU  18  31.484   6.586   4.770
  115   1HB   LEU  18          2HB       LEU  18  31.063   5.934   7.726
  116   2HB   LEU  18          1HB       LEU  18  32.604   6.010   6.905
  117    HG   LEU  18           HG       LEU  18  30.710   8.327   7.520
  118   1HD1  LEU  18          3HD1      LEU  18  32.147   7.622   9.400
  119   2HD1  LEU  18          2HD1      LEU  18  33.579   7.787   8.400
  120   3HD1  LEU  18          1HD1      LEU  18  32.630   9.204   8.823
  121   1HD2  LEU  18          1HD2      LEU  18  33.262   8.511   5.866
  122   2HD2  LEU  18          3HD2      LEU  18  31.636   8.764   5.268
  123   3HD2  LEU  18          2HD2      LEU  18  32.312   9.862   6.443
  124    H    SER  19           H        SER  19  30.682   5.020   3.429
  125    HA   SER  19           HA       SER  19  29.506   2.551   4.500
  126   1HB   SER  19          2HB       SER  19  30.086   3.237   1.597
  127   2HB   SER  19          1HB       SER  19  28.948   2.041   2.234
  128    HG   SER  19           HG       SER  19  28.481   4.592   1.834
  129    H    GLY  20           H        GLY  20  32.507   3.157   4.797
  130   1HA   GLY  20          2HA       GLY  20  33.640   0.725   4.985
  131   2HA   GLY  20          1HA       GLY  20  33.655   0.927   3.226
  132    H    ILE  21           H        ILE  21  36.022   0.781   3.561
  133    HA   ILE  21           HA       ILE  21  37.178   3.497   4.018
  134    HB   ILE  21           HB       ILE  21  38.361   0.885   5.000
  135   1HG1  ILE  21          2HG1      ILE  21  36.456   1.717   6.461
  136   2HG1  ILE  21          1HG1      ILE  21  37.980   1.685   7.308
  137   1HG2  ILE  21          3HG2      ILE  21  39.475   3.654   5.238
  138   2HG2  ILE  21          2HG2      ILE  21  40.114   2.252   6.078
  139   3HG2  ILE  21          1HG2      ILE  21  40.162   2.317   4.329
  140   1HD1  ILE  21          1HD1      ILE  21  36.735   4.163   6.055
  141   2HD1  ILE  21          3HD1      ILE  21  36.747   3.789   7.764
  142   3HD1  ILE  21          2HD1      ILE  21  38.251   4.146   6.939
  143    H    LEU  22           H        LEU  22  38.861   3.978   2.766
  144    HA   LEU  22           HA       LEU  22  39.084   2.724   0.204
  145   1HB   LEU  22          2HB       LEU  22  39.477   5.025   0.005
  146   2HB   LEU  22          1HB       LEU  22  40.145   5.155   1.610
  147    HG   LEU  22           HG       LEU  22  42.330   4.190   0.759
  148   1HD1  LEU  22          3HD1      LEU  22  41.451   3.048  -1.318
  149   2HD1  LEU  22          2HD1      LEU  22  41.059   4.615  -1.988
  150   3HD1  LEU  22          1HD1      LEU  22  42.728   4.196  -1.666
  151   1HD2  LEU  22          3HD2      LEU  22  41.974   6.635   1.026
  152   2HD2  LEU  22          2HD2      LEU  22  43.014   6.301  -0.348
  153   3HD2  LEU  22          1HD2      LEU  22  41.325   6.727  -0.601
  154    H    TRP  23           H        TRP  23  40.580   1.290  -0.553
  155    HA   TRP  23           HA       TRP  23  42.717   0.591   1.335
  156   1HB   TRP  23          2HB       TRP  23  40.690  -1.173   0.038
  157   2HB   TRP  23          1HB       TRP  23  42.295  -1.859   0.203
  158    HD1  TRP  23           HD1      TRP  23  39.308  -0.996   2.369
  159    HE1  TRP  23           HE1      TRP  23  39.932  -1.227   4.812
  160    HE3  TRP  23           HE3      TRP  23  44.188  -1.451   1.737
  161    HZ2  TRP  23           HZ2      TRP  23  42.259  -1.490   6.293
  162    HZ3  TRP  23           HZ3      TRP  23  45.720  -1.636   3.665
  163    HH2  TRP  23           HH2      TRP  23  44.737  -1.676   5.994
  164    H    PHE  24           H        PHE  24  44.406   0.249   0.938
  165    HA   PHE  24           HA       PHE  24  45.700   0.717  -1.620
  166   1HB   PHE  24          2HB       PHE  24  46.298   0.854   1.311
  167   2HB   PHE  24          1HB       PHE  24  47.689   0.402   0.432
  168    HD1  PHE  24           HD1      PHE  24  45.042   2.843  -0.744
  169    HD2  PHE  24           HD2      PHE  24  48.956   2.341   0.879
  170    HE1  PHE  24           HE1      PHE  24  45.497   5.227  -1.072
  171    HE2  PHE  24           HE2      PHE  24  49.405   4.729   0.555
  172    HZ   PHE  24           HZ       PHE  24  47.674   6.181  -0.423
  173    H    TYR  25           H        TYR  25  44.503  -1.861  -1.566
  174    HA   TYR  25           HA       TYR  25  46.888  -3.555  -1.366
  175   1HB   TYR  25          2HB       TYR  25  44.087  -4.057  -0.597
  176   2HB   TYR  25          1HB       TYR  25  44.764  -5.365  -1.536
  177    HD1  TYR  25           HD1      TYR  25  46.803  -3.151   0.577
  178    HD2  TYR  25           HD2      TYR  25  44.919  -6.936   0.326
  179    HE1  TYR  25           HE1      TYR  25  48.039  -3.874   2.569
  180    HE2  TYR  25           HE2      TYR  25  46.156  -7.682   2.321
  181    HH   TYR  25           HH       TYR  25  48.563  -5.674   3.925
  182    HA   PRO  26           HA       PRO  26  46.721  -3.677  -5.601
  183   1HB   PRO  26          2HB       PRO  26  48.766  -5.487  -6.113
  184   2HB   PRO  26          1HB       PRO  26  49.127  -3.869  -5.496
  185   1HG   PRO  26          2HG       PRO  26  48.656  -6.430  -3.858
  186   2HG   PRO  26          1HG       PRO  26  50.042  -5.339  -3.777
  187   1HD   PRO  26          2HD       PRO  26  48.008  -4.981  -2.030
  188   2HD   PRO  26          1HD       PRO  26  48.678  -3.516  -2.776
  189    H    SER  27           H        SER  27  46.325  -6.324  -3.501
  190    HA   SER  27           HA       SER  27  45.246  -8.193  -5.469
  191   1HB   SER  27          2HB       SER  27  44.898  -9.509  -3.214
  192   2HB   SER  27          1HB       SER  27  46.569  -9.187  -3.708
  193    HG   SER  27           HG       SER  27  45.314  -8.309  -1.533
  194    H    GLY  28           H        GLY  28  43.981  -5.516  -4.217
  195   1HA   GLY  28          2HA       GLY  28  41.605  -5.016  -4.696
  196   2HA   GLY  28          1HA       GLY  28  41.201  -6.644  -4.131
  197    H    CYS  29           H        CYS  29  40.423  -6.669  -2.056
  198    HA   CYS  29           HA       CYS  29  41.047  -4.434  -0.273
  199   1HB   CYS  29          2HB       CYS  29  39.149  -6.743   0.197
  200   2HB   CYS  29          1HB       CYS  29  39.244  -5.183   0.934
  201    HA   PRO  30           HA       PRO  30  43.652  -7.208   2.043
  202   1HB   PRO  30          2HB       PRO  30  43.928  -5.988   4.403
  203   2HB   PRO  30          1HB       PRO  30  44.414  -5.098   2.948
  204   1HG   PRO  30          2HG       PRO  30  41.663  -5.169   4.188
  205   2HG   PRO  30          1HG       PRO  30  42.648  -3.754   4.113
  206   1HD   PRO  30          2HD       PRO  30  40.873  -4.203   2.133
  207   2HD   PRO  30          1HD       PRO  30  42.522  -3.779   1.626
  208    H    SER  31           H        SER  31  43.822  -8.390   4.028
  209    HA   SER  31           HA       SER  31  41.975 -10.343   4.310
  210   1HB   SER  31          2HB       SER  31  43.819  -9.327   6.503
  211   2HB   SER  31          1HB       SER  31  43.310 -11.004   6.229
  212    HG   SER  31           HG       SER  31  44.906 -11.090   4.816
  213    H    GLY  32           H        GLY  32  39.909 -10.021   4.686
  214   1HA   GLY  32          2HA       GLY  32  38.226 -10.049   6.516
  215   2HA   GLY  32          1HA       GLY  32  39.125  -8.762   7.299
  216    H    TRP  33           H        TRP  33  38.994  -8.052   4.053
  217    HA   TRP  33           HA       TRP  33  36.609  -6.314   4.467
  218   1HB   TRP  33          2HB       TRP  33  39.056  -6.026   2.708
  219   2HB   TRP  33          1HB       TRP  33  37.742  -4.870   2.737
  220    HD1  TRP  33           HD1      TRP  33  40.283  -6.410   5.329
  221    HE1  TRP  33           HE1      TRP  33  40.778  -4.711   7.064
  222    HE3  TRP  33           HE3      TRP  33  37.215  -2.842   3.633
  223    HZ2  TRP  33           HZ2      TRP  33  39.999  -2.124   7.645
  224    HZ3  TRP  33           HZ3      TRP  33  37.091  -0.710   4.799
  225    HH2  TRP  33           HH2      TRP  33  38.515  -0.333   6.850
  226    H    HIS  34           H        HIS  34  35.399  -5.929   2.395
  227    HA   HIS  34           HA       HIS  34  35.718  -8.190   0.461
  228   1HB   HIS  34          2HB       HIS  34  34.367  -8.929   2.381
  229   2HB   HIS  34          1HB       HIS  34  33.204  -7.655   2.078
  230    HD1  HIS  34           HD1      HIS  34  31.632  -8.044   0.065
  231    HD2  HIS  34           HD2      HIS  34  34.432 -11.043   0.659
  232    HE1  HIS  34           HE1      HIS  34  30.983 -10.054  -1.321
  233    H    ASN  35           H        ASN  35  36.170  -5.495   0.163
  234    HA   ASN  35           HA       ASN  35  35.918  -3.754  -1.323
  235   1HB   ASN  35          2HB       ASN  35  36.005  -5.627  -2.972
  236   2HB   ASN  35          1HB       ASN  35  34.246  -5.721  -2.914
  237   1HD2  ASN  35          2HD2      ASN  35  35.997  -2.669  -4.940
  238   2HD2  ASN  35          1HD2      ASN  35  36.973  -3.683  -3.982
  239    H    CYS  36           H        CYS  36  34.682  -2.045  -1.871
  240    HA   CYS  36           HA       CYS  36  31.819  -2.086  -1.054
  241   1HB   CYS  36          2HB       CYS  36  32.255  -0.203   0.192
  242   2HB   CYS  36          1HB       CYS  36  33.862  -0.803   0.204
  243    H    LYS  37           H        LYS  37  34.343  -0.635  -2.966
  244    HA   LYS  37           HA       LYS  37  32.385   0.143  -5.080
  245   1HB   LYS  37          2HB       LYS  37  33.888   1.784  -3.863
  246   2HB   LYS  37          1HB       LYS  37  35.238   1.086  -4.699
  247   1HG   LYS  37          2HG       LYS  37  34.043   1.597  -6.905
  248   2HG   LYS  37          1HG       LYS  37  32.746   2.331  -5.988
  249   1HD   LYS  37          2HD       LYS  37  35.492   3.401  -6.535
  250   2HD   LYS  37          1HD       LYS  37  33.957   4.225  -6.526
  251   1HE   LYS  37          2HE       LYS  37  33.962   3.827  -3.925
  252   2HE   LYS  37          1HE       LYS  37  35.661   3.504  -4.143
  253   1HZ   LYS  37          3HZ       LYS  37  35.042   5.826  -5.534
  254   2HZ   LYS  37          2HZ       LYS  37  34.335   5.912  -3.990
  255   3HZ   LYS  37          1HZ       LYS  37  36.016   5.664  -4.136
  256    H    ALA  38           H        ALA  38  32.201  -1.573  -6.252
  257    HA   ALA  38           HA       ALA  38  34.441  -3.289  -7.082
  258   1HB   ALA  38          3HB       ALA  38  31.516  -3.254  -7.970
  259   2HB   ALA  38          2HB       ALA  38  32.670  -4.523  -8.335
  260   3HB   ALA  38          1HB       ALA  38  32.163  -4.250  -6.671
  261    H    HIS  39           H        HIS  39  33.820  -0.344  -7.786
  262    HA   HIS  39           HA       HIS  39  34.469  -0.552 -10.699
  263   1HB   HIS  39          2HB       HIS  39  32.791   1.649  -9.423
  264   2HB   HIS  39          1HB       HIS  39  32.938   1.287 -11.137
  265    HD1  HIS  39           HD1      HIS  39  32.477  -1.826 -10.791
  266    HD2  HIS  39           HD2      HIS  39  30.257   1.228  -9.027
  267    HE1  HIS  39           HE1      HIS  39  30.227  -2.673 -10.217
  268    H    GLY  40           H        GLY  40  36.248  -0.505  -8.542
  269   1HA   GLY  40          2HA       GLY  40  38.443   0.504  -8.503
  270   2HA   GLY  40          1HA       GLY  40  37.759   1.953  -9.221
  271    HA   PRO  41           HA       PRO  41  38.445   3.805  -8.765
  272   1HB   PRO  41          2HB       PRO  41  39.839   5.695  -7.554
  273   2HB   PRO  41          1HB       PRO  41  38.100   5.628  -7.265
  274   1HG   PRO  41          2HG       PRO  41  40.238   4.233  -5.551
  275   2HG   PRO  41          1HG       PRO  41  39.057   5.394  -4.950
  276   1HD   PRO  41          2HD       PRO  41  38.358   2.881  -4.768
  277   2HD   PRO  41          1HD       PRO  41  37.198   4.075  -5.381
  278    H    ASN  42           H        ASN  42  41.164   4.518  -9.116
  279    HA   ASN  42           HA       ASN  42  42.458   1.887  -8.819
  280   1HB   ASN  42          2HB       ASN  42  42.475   3.096 -11.124
  281   2HB   ASN  42          1HB       ASN  42  43.433   4.376 -10.374
  282   1HD2  ASN  42          2HD2      ASN  42  46.327   2.424 -10.996
  283   2HD2  ASN  42          1HD2      ASN  42  45.639   3.978 -11.056
  284    H    ILE  43           H        ILE  43  42.077   4.800  -7.404
  285    HA   ILE  43           HA       ILE  43  44.711   4.830  -6.462
  286    HB   ILE  43           HB       ILE  43  43.909   6.908  -5.061
  287   1HG1  ILE  43          2HG1      ILE  43  41.411   6.531  -6.743
  288   2HG1  ILE  43          1HG1      ILE  43  41.479   6.133  -5.029
  289   1HG2  ILE  43          3HG2      ILE  43  45.024   7.104  -7.287
  290   2HG2  ILE  43          2HG2      ILE  43  43.482   6.872  -8.096
  291   3HG2  ILE  43          1HG2      ILE  43  43.773   8.313  -7.138
  292   1HD1  ILE  43          3HD1      ILE  43  42.083   8.510  -4.552
  293   2HD1  ILE  43          2HD1      ILE  43  41.946   8.897  -6.262
  294   3HD1  ILE  43          1HD1      ILE  43  40.535   8.373  -5.368
  295    H    GLY  44           H        GLY  44  43.145   2.749  -5.902
  296   1HA   GLY  44          2HA       GLY  44  43.570   1.208  -4.023
  297   2HA   GLY  44          1HA       GLY  44  43.069   2.488  -2.918
  298    H    TRP  45           H        TRP  45  41.974  -0.176  -3.520
  299    HA   TRP  45           HA       TRP  45  39.389   0.315  -4.873
  300   1HB   TRP  45          2HB       TRP  45  39.920  -2.033  -3.006
  301   2HB   TRP  45          1HB       TRP  45  38.877  -1.993  -4.414
  302    HD1  TRP  45           HD1      TRP  45  42.641  -2.032  -3.487
  303    HE1  TRP  45           HE1      TRP  45  43.963  -3.048  -5.293
  304    HE3  TRP  45           HE3      TRP  45  38.923  -2.561  -6.901
  305    HZ2  TRP  45           HZ2      TRP  45  43.578  -3.967  -7.856
  306    HZ3  TRP  45           HZ3      TRP  45  39.495  -3.560  -9.099
  307    HH2  TRP  45           HH2      TRP  45  41.815  -4.259  -9.568
  308    H    CYS  46           H        CYS  46  37.418   1.074  -3.641
  309    HA   CYS  46           HA       CYS  46  38.059   1.535  -0.769
  310   1HB   CYS  46          2HB       CYS  46  36.887   3.299  -2.252
  311   2HB   CYS  46          1HB       CYS  46  35.556   2.178  -2.345
  312    H    CYS  47           H        CYS  47  37.444   0.165   0.609
  313    HA   CYS  47           HA       CYS  47  35.494  -1.928  -0.146
  314   1HB   CYS  47          2HB       CYS  47  38.076  -2.137   1.366
  315   2HB   CYS  47          1HB       CYS  47  36.972  -3.432   1.230
  316    H    LYS  48           H        LYS  48  35.290  -3.298   2.176
  317    HA   LYS  48           HA       LYS  48  34.907  -1.372   4.265
  318   1HB   LYS  48          2HB       LYS  48  32.683  -1.512   4.586
  319   2HB   LYS  48          1HB       LYS  48  32.798  -1.369   2.854
  320   1HG   LYS  48          2HG       LYS  48  32.323  -3.917   4.443
  321   2HG   LYS  48          1HG       LYS  48  31.217  -3.004   3.452
  322   1HD   LYS  48          2HD       LYS  48  32.982  -3.232   1.627
  323   2HD   LYS  48          1HD       LYS  48  33.746  -4.402   2.614
  324   1HE   LYS  48          2HE       LYS  48  32.273  -5.723   1.114
  325   2HE   LYS  48          1HE       LYS  48  31.869  -5.928   2.804
  326   1HZ   LYS  48          2HZ       LYS  48  30.387  -3.786   1.757
  327   2HZ   LYS  48          1HZ       LYS  48  30.238  -5.113   0.722
  328   3HZ   LYS  48          3HZ       LYS  48  29.819  -5.273   2.368
  329    H    LYS  49           H        LYS  49  34.014  -2.514   6.123
  330    HA   LYS  49           HA       LYS  49  35.306  -5.229   6.351
  331   1HB   LYS  49          2HB       LYS  49  34.639  -3.137   8.453
  332   2HB   LYS  49          1HB       LYS  49  34.898  -4.810   8.913
  333   1HG   LYS  49          2HG       LYS  49  37.121  -4.582   7.492
  334   2HG   LYS  49          1HG       LYS  49  36.851  -2.854   7.688
  335   1HD   LYS  49          2HD       LYS  49  36.797  -3.128  10.157
  336   2HD   LYS  49          1HD       LYS  49  36.969  -4.869   9.986
  337   1HE   LYS  49          2HE       LYS  49  39.188  -4.405   8.768
  338   2HE   LYS  49          1HE       LYS  49  39.000  -2.735   9.309
  339   1HZ   LYS  49          2HZ       LYS  49  38.573  -4.377  11.500
  340   2HZ   LYS  49          1HZ       LYS  49  39.988  -4.910  10.724
  341   3HZ   LYS  49          3HZ       LYS  49  39.844  -3.289  11.225
   
  No H/Q in entry =         341
  Start of MODEL   18
    1   1H    GLY   1          2H        GLY   1  42.788   4.929   7.216
    2   2H    GLY   1          1H        GLY   1  43.030   3.304   6.779
    3   3H    GLY   1          3H        GLY   1  44.266   4.448   6.526
    4   1HA   GLY   1          2HA       GLY   1  43.459   4.899   4.506
    5   2HA   GLY   1          1HA       GLY   1  42.184   3.712   4.782
    6    H    VAL   2           H        VAL   2  41.259   5.627   3.332
    7    HA   VAL   2           HA       VAL   2  39.978   7.631   5.128
    8    HB   VAL   2           HB       VAL   2  40.319   7.744   2.096
    9   1HG1  VAL   2          3HG1      VAL   2  38.355   9.036   2.919
   10   2HG1  VAL   2          2HG1      VAL   2  39.382   9.898   4.056
   11   3HG1  VAL   2          1HG1      VAL   2  39.604  10.110   2.331
   12   1HG2  VAL   2          1HG2      VAL   2  41.869   9.235   4.274
   13   2HG2  VAL   2          3HG2      VAL   2  42.523   7.968   3.249
   14   3HG2  VAL   2          2HG2      VAL   2  42.040   9.497   2.545
   15    HA   PRO   3           HA       PRO   3  36.239   5.422   3.925
   16   1HB   PRO   3          2HB       PRO   3  34.366   6.837   5.124
   17   2HB   PRO   3          1HB       PRO   3  35.498   5.850   6.049
   18   1HG   PRO   3          2HG       PRO   3  35.755   8.849   5.336
   19   2HG   PRO   3          1HG       PRO   3  35.794   8.147   6.959
   20   1HD   PRO   3          2HD       PRO   3  38.124   8.601   5.650
   21   2HD   PRO   3          1HD       PRO   3  37.941   7.108   6.595
   22    H    CYS   4           H        CYS   4  35.592   5.473   2.031
   23    HA   CYS   4           HA       CYS   4  34.634   7.957   0.684
   24   1HB   CYS   4          2HB       CYS   4  35.420   6.509  -1.422
   25   2HB   CYS   4          1HB       CYS   4  36.537   7.516  -0.546
   26    H    LEU   5           H        LEU   5  32.989   7.464  -1.076
   27    HA   LEU   5           HA       LEU   5  31.165   5.432  -0.012
   28   1HB   LEU   5          2HB       LEU   5  30.538   7.916  -0.676
   29   2HB   LEU   5          1HB       LEU   5  30.621   7.362  -2.332
   30    HG   LEU   5           HG       LEU   5  28.719   5.842  -2.020
   31   1HD1  LEU   5          2HD1      LEU   5  28.883   6.537   0.974
   32   2HD1  LEU   5          1HD1      LEU   5  27.668   5.528   0.218
   33   3HD1  LEU   5          3HD1      LEU   5  29.301   4.968   0.312
   34   1HD2  LEU   5          1HD2      LEU   5  28.175   8.318  -2.186
   35   2HD2  LEU   5          3HD2      LEU   5  26.975   7.427  -1.277
   36   3HD2  LEU   5          2HD2      LEU   5  28.175   8.408  -0.444
   37    H    CYS   6           H        CYS   6  29.870   4.258  -1.913
   38    HA   CYS   6           HA       CYS   6  31.886   3.435  -3.935
   39   1HB   CYS   6          2HB       CYS   6  30.334   1.283  -2.486
   40   2HB   CYS   6          1HB       CYS   6  31.939   1.290  -3.182
   41    H    ASP   7           H        ASP   7  30.364   0.911  -4.525
   42    HA   ASP   7           HA       ASP   7  29.258   1.914  -6.960
   43   1HB   ASP   7          2HB       ASP   7  28.587  -0.333  -7.382
   44   2HB   ASP   7          1HB       ASP   7  29.881  -0.544  -6.229
   45    H    SER   8           H        SER   8  27.827   1.533  -3.767
   46    HA   SER   8           HA       SER   8  25.134   2.129  -4.738
   47   1HB   SER   8          2HB       SER   8  26.245   2.052  -1.874
   48   2HB   SER   8          1HB       SER   8  24.537   2.019  -2.326
   49    HG   SER   8           HG       SER   8  24.789  -0.059  -2.860
   50    H    ASP   9           H        ASP   9  27.616   4.009  -4.915
   51    HA   ASP   9           HA       ASP   9  26.879   6.428  -3.493
   52   1HB   ASP   9          2HB       ASP   9  29.254   6.185  -3.981
   53   2HB   ASP   9          1HB       ASP   9  29.021   5.794  -5.651
   54    H    GLY  10           H        GLY  10  24.632   6.023  -4.399
   55   1HA   GLY  10          2HA       GLY  10  24.169   7.942  -6.589
   56   2HA   GLY  10          1HA       GLY  10  23.537   6.299  -6.813
   57    HA   PRO  11           HA       PRO  11  20.738   9.251  -4.578
   58   1HB   PRO  11          2HB       PRO  11  18.522   9.191  -6.075
   59   2HB   PRO  11          1HB       PRO  11  20.008   9.859  -6.773
   60   1HG   PRO  11          2HG       PRO  11  19.013   6.949  -6.941
   61   2HG   PRO  11          1HG       PRO  11  19.363   8.030  -8.293
   62   1HD   PRO  11          2HD       PRO  11  21.293   6.351  -7.406
   63   2HD   PRO  11          1HD       PRO  11  21.741   8.003  -7.857
   64    H    ARG  12           H        ARG  12  21.109   6.592  -3.657
   65    HA   ARG  12           HA       ARG  12  18.381   5.933  -2.596
   66   1HB   ARG  12          2HB       ARG  12  20.663   4.185  -3.406
   67   2HB   ARG  12          1HB       ARG  12  19.497   3.619  -2.213
   68   1HG   ARG  12          2HG       ARG  12  17.650   3.881  -3.690
   69   2HG   ARG  12          1HG       ARG  12  18.538   4.927  -4.782
   70   1HD   ARG  12          2HD       ARG  12  18.237   2.731  -5.726
   71   2HD   ARG  12          1HD       ARG  12  19.949   3.085  -5.444
   72    HE   ARG  12           HE       ARG  12  18.368   1.382  -3.542
   73   1HH1  ARG  12          2HH1      ARG  12  21.132   2.047  -2.872
   74   2HH1  ARG  12          1HH1      ARG  12  22.063   0.733  -3.499
   75   1HH2  ARG  12          1HH2      ARG  12  19.391  -0.330  -5.562
   76   2HH2  ARG  12          2HH2      ARG  12  21.016  -0.688  -5.102
   77    HA   PRO  13           HA       PRO  13  20.502   7.353   1.122
   78   1HB   PRO  13          2HB       PRO  13  18.522   7.324   2.925
   79   2HB   PRO  13          1HB       PRO  13  18.453   8.384   1.502
   80   1HG   PRO  13          2HG       PRO  13  17.317   5.524   1.735
   81   2HG   PRO  13          1HG       PRO  13  16.382   6.990   1.412
   82   1HD   PRO  13          2HD       PRO  13  17.279   5.549  -0.673
   83   2HD   PRO  13          1HD       PRO  13  17.424   7.318  -0.751
   84    H    ARG  14           H        ARG  14  21.545   5.170   0.654
   85    HA   ARG  14           HA       ARG  14  21.751   3.741   3.199
   86   1HB   ARG  14          2HB       ARG  14  21.510   2.256   0.525
   87   2HB   ARG  14          1HB       ARG  14  21.690   1.513   2.104
   88   1HG   ARG  14          2HG       ARG  14  19.478   2.552   2.747
   89   2HG   ARG  14          1HG       ARG  14  19.296   3.076   1.086
   90   1HD   ARG  14          2HD       ARG  14  19.396   0.791   0.235
   91   2HD   ARG  14          1HD       ARG  14  19.744   0.159   1.841
   92    HE   ARG  14           HE       ARG  14  17.133   1.195   0.900
   93   1HH1  ARG  14          2HH1      ARG  14  16.867   2.115   3.455
   94   2HH1  ARG  14          1HH1      ARG  14  16.570   0.757   4.480
   95   1HH2  ARG  14          1HH2      ARG  14  17.805  -1.513   2.093
   96   2HH2  ARG  14          2HH2      ARG  14  17.132  -1.386   3.681
   97    H    GLY  15           H        GLY  15  23.795   3.193   3.649
   98   1HA   GLY  15          2HA       GLY  15  26.101   2.892   3.345
   99   2HA   GLY  15          1HA       GLY  15  25.856   2.917   1.607
  100    H    ASN  16           H        ASN  16  24.588   5.392   1.476
  101    HA   ASN  16           HA       ASN  16  26.259   7.261   0.699
  102   1HB   ASN  16          2HB       ASN  16  24.787   9.059   1.828
  103   2HB   ASN  16          1HB       ASN  16  23.988   7.897   0.798
  104   1HD2  ASN  16          2HD2      ASN  16  23.365   7.468   4.828
  105   2HD2  ASN  16          1HD2      ASN  16  24.869   8.063   4.389
  106    H    THR  17           H        THR  17  25.956   6.769   4.167
  107    HA   THR  17           HA       THR  17  27.983   8.817   4.689
  108    HB   THR  17           HB       THR  17  27.189   7.981   7.169
  109    HG1  THR  17           HG1      THR  17  25.838   6.453   6.652
  110   1HG2  THR  17          3HG2      THR  17  25.381   9.646   5.302
  111   2HG2  THR  17          2HG2      THR  17  25.372   9.671   7.055
  112   3HG2  THR  17          1HG2      THR  17  26.750  10.304   6.176
  113    H    LEU  18           H        LEU  18  29.876   8.046   4.268
  114    HA   LEU  18           HA       LEU  18  31.751   6.589   4.197
  115   1HB   LEU  18          2HB       LEU  18  31.253   6.873   7.171
  116   2HB   LEU  18          1HB       LEU  18  32.800   6.708   6.395
  117    HG   LEU  18           HG       LEU  18  30.875   9.084   6.185
  118   1HD1  LEU  18          1HD1      LEU  18  32.217   9.014   8.249
  119   2HD1  LEU  18          3HD1      LEU  18  33.692   8.883   7.317
  120   3HD1  LEU  18          2HD1      LEU  18  32.730  10.344   7.229
  121   1HD2  LEU  18          1HD2      LEU  18  33.528   8.724   4.700
  122   2HD2  LEU  18          3HD2      LEU  18  31.953   8.756   3.947
  123   3HD2  LEU  18          2HD2      LEU  18  32.581  10.188   4.725
  124    H    SER  19           H        SER  19  29.964   4.804   3.530
  125    HA   SER  19           HA       SER  19  30.041   2.595   5.461
  126   1HB   SER  19          2HB       SER  19  28.561   1.514   3.734
  127   2HB   SER  19          1HB       SER  19  27.999   3.139   4.179
  128    HG   SER  19           HG       SER  19  29.741   2.499   2.037
  129    H    GLY  20           H        GLY  20  32.553   3.018   5.006
  130   1HA   GLY  20          2HA       GLY  20  33.762   0.678   4.269
  131   2HA   GLY  20          1HA       GLY  20  33.514   1.431   2.700
  132    H    ILE  21           H        ILE  21  36.048   0.758   3.668
  133    HA   ILE  21           HA       ILE  21  37.243   3.503   4.042
  134    HB   ILE  21           HB       ILE  21  38.425   0.874   5.048
  135   1HG1  ILE  21          2HG1      ILE  21  36.476   1.476   6.499
  136   2HG1  ILE  21          1HG1      ILE  21  37.975   1.664   7.377
  137   1HG2  ILE  21          3HG2      ILE  21  39.417   3.706   5.439
  138   2HG2  ILE  21          2HG2      ILE  21  40.099   2.288   6.214
  139   3HG2  ILE  21          1HG2      ILE  21  40.167   2.448   4.472
  140   1HD1  ILE  21          1HD1      ILE  21  37.937   4.117   6.973
  141   2HD1  ILE  21          3HD1      ILE  21  36.437   3.930   6.078
  142   3HD1  ILE  21          2HD1      ILE  21  36.481   3.586   7.794
  143    H    LEU  22           H        LEU  22  38.814   4.008   2.656
  144    HA   LEU  22           HA       LEU  22  39.157   2.677   0.201
  145   1HB   LEU  22          2HB       LEU  22  39.352   5.108   0.438
  146   2HB   LEU  22          1HB       LEU  22  40.575   4.933   1.669
  147    HG   LEU  22           HG       LEU  22  42.054   3.908   0.025
  148   1HD1  LEU  22          3HD1      LEU  22  39.937   4.863  -1.974
  149   2HD1  LEU  22          2HD1      LEU  22  41.524   4.309  -2.458
  150   3HD1  LEU  22          1HD1      LEU  22  40.394   3.196  -1.714
  151   1HD2  LEU  22          2HD2      LEU  22  41.124   6.740  -0.602
  152   2HD2  LEU  22          1HD2      LEU  22  42.337   6.281   0.583
  153   3HD2  LEU  22          3HD2      LEU  22  42.659   6.068  -1.129
  154    H    TRP  23           H        TRP  23  40.917   1.463  -0.522
  155    HA   TRP  23           HA       TRP  23  42.864   0.656   1.509
  156   1HB   TRP  23          2HB       TRP  23  40.947  -1.077   0.021
  157   2HB   TRP  23          1HB       TRP  23  42.546  -1.739   0.272
  158    HD1  TRP  23           HD1      TRP  23  39.393  -1.107   2.262
  159    HE1  TRP  23           HE1      TRP  23  39.806  -1.524   4.696
  160    HE3  TRP  23           HE3      TRP  23  44.292  -1.338   1.953
  161    HZ2  TRP  23           HZ2      TRP  23  42.110  -1.843   6.352
  162    HZ3  TRP  23           HZ3      TRP  23  45.714  -1.627   3.932
  163    HH2  TRP  23           HH2      TRP  23  44.596  -1.907   6.190
  164    H    PHE  24           H        PHE  24  44.616   0.351   1.189
  165    HA   PHE  24           HA       PHE  24  45.982   0.819  -1.346
  166   1HB   PHE  24          2HB       PHE  24  46.484   1.039   1.593
  167   2HB   PHE  24          1HB       PHE  24  47.891   0.431   0.829
  168    HD1  PHE  24           HD1      PHE  24  45.368   2.914  -0.468
  169    HD2  PHE  24           HD2      PHE  24  49.348   2.370   0.990
  170    HE1  PHE  24           HE1      PHE  24  45.885   5.238  -0.999
  171    HE2  PHE  24           HE2      PHE  24  49.858   4.710   0.457
  172    HZ   PHE  24           HZ       PHE  24  48.129   6.152  -0.538
  173    H    TYR  25           H        TYR  25  44.778  -1.405  -1.681
  174    HA   TYR  25           HA       TYR  25  46.867  -3.460  -1.318
  175   1HB   TYR  25          2HB       TYR  25  44.049  -3.545  -0.500
  176   2HB   TYR  25          1HB       TYR  25  44.526  -4.954  -1.418
  177    HD1  TYR  25           HD2      TYR  25  45.648  -2.813   1.469
  178    HD2  TYR  25           HD1      TYR  25  45.891  -6.583  -0.478
  179    HE1  TYR  25           HE2      TYR  25  46.922  -3.709   3.367
  180    HE2  TYR  25           HE1      TYR  25  47.160  -7.474   1.410
  181    HH   TYR  25           HH       TYR  25  48.526  -5.564   3.797
  182    HA   PRO  26           HA       PRO  26  46.558  -3.550  -5.735
  183   1HB   PRO  26          2HB       PRO  26  48.539  -5.332  -6.270
  184   2HB   PRO  26          1HB       PRO  26  48.939  -3.731  -5.640
  185   1HG   PRO  26          2HG       PRO  26  48.454  -6.301  -4.009
  186   2HG   PRO  26          1HG       PRO  26  49.895  -5.281  -3.986
  187   1HD   PRO  26          2HD       PRO  26  47.989  -4.832  -2.141
  188   2HD   PRO  26          1HD       PRO  26  48.678  -3.408  -2.943
  189    H    SER  27           H        SER  27  45.841  -5.987  -3.555
  190    HA   SER  27           HA       SER  27  44.858  -7.919  -5.544
  191   1HB   SER  27          2HB       SER  27  44.303  -9.168  -3.316
  192   2HB   SER  27          1HB       SER  27  46.032  -8.850  -3.597
  193    HG   SER  27           HG       SER  27  44.299  -7.706  -1.768
  194    H    GLY  28           H        GLY  28  43.779  -5.211  -3.952
  195   1HA   GLY  28          2HA       GLY  28  41.507  -4.405  -4.574
  196   2HA   GLY  28          1HA       GLY  28  40.910  -6.039  -4.243
  197    H    CYS  29           H        CYS  29  40.382  -6.521  -2.133
  198    HA   CYS  29           HA       CYS  29  40.960  -4.473  -0.125
  199   1HB   CYS  29          2HB       CYS  29  39.124  -6.852   0.140
  200   2HB   CYS  29          1HB       CYS  29  39.166  -5.327   0.966
  201    HA   PRO  30           HA       PRO  30  43.589  -7.454   1.923
  202   1HB   PRO  30          2HB       PRO  30  44.059  -6.303   4.267
  203   2HB   PRO  30          1HB       PRO  30  44.510  -5.459   2.782
  204   1HG   PRO  30          2HG       PRO  30  41.851  -5.254   4.219
  205   2HG   PRO  30          1HG       PRO  30  42.960  -3.942   4.024
  206   1HD   PRO  30          2HD       PRO  30  40.972  -4.339   2.215
  207   2HD   PRO  30          1HD       PRO  30  42.575  -3.923   1.593
  208    H    SER  31           H        SER  31  43.705  -8.798   3.766
  209    HA   SER  31           HA       SER  31  41.707 -10.554   4.135
  210   1HB   SER  31          2HB       SER  31  43.745  -9.844   6.284
  211   2HB   SER  31          1HB       SER  31  43.115 -11.450   5.874
  212    HG   SER  31           HG       SER  31  44.728 -11.476   4.457
  213    H    GLY  32           H        GLY  32  39.705 -10.052   4.702
  214   1HA   GLY  32          2HA       GLY  32  38.213  -9.953   6.717
  215   2HA   GLY  32          1HA       GLY  32  39.224  -8.656   7.324
  216    H    TRP  33           H        TRP  33  38.993  -8.021   4.150
  217    HA   TRP  33           HA       TRP  33  36.612  -6.279   4.504
  218   1HB   TRP  33          2HB       TRP  33  39.063  -6.015   2.751
  219   2HB   TRP  33          1HB       TRP  33  37.783  -4.838   2.802
  220    HD1  TRP  33           HD1      TRP  33  40.404  -6.377   5.311
  221    HE1  TRP  33           HE1      TRP  33  40.909  -4.676   7.064
  222    HE3  TRP  33           HE3      TRP  33  37.196  -2.885   3.751
  223    HZ2  TRP  33           HZ2      TRP  33  40.055  -2.114   7.707
  224    HZ3  TRP  33           HZ3      TRP  33  37.041  -0.764   4.936
  225    HH2  TRP  33           HH2      TRP  33  38.502  -0.371   6.962
  226    H    HIS  34           H        HIS  34  35.479  -5.889   2.365
  227    HA   HIS  34           HA       HIS  34  35.832  -8.154   0.453
  228   1HB   HIS  34          2HB       HIS  34  34.453  -8.832   2.454
  229   2HB   HIS  34          1HB       HIS  34  33.226  -7.699   1.925
  230    HD1  HIS  34           HD1      HIS  34  32.502  -8.251  -0.717
  231    HD2  HIS  34           HD2      HIS  34  34.150 -11.279   1.580
  232    HE1  HIS  34           HE1      HIS  34  31.889 -10.491  -1.741
  233    H    ASN  35           H        ASN  35  36.224  -5.503   0.054
  234    HA   ASN  35           HA       ASN  35  35.956  -3.736  -1.333
  235   1HB   ASN  35          2HB       ASN  35  36.216  -5.733  -2.883
  236   2HB   ASN  35          1HB       ASN  35  34.477  -5.665  -3.136
  237   1HD2  ASN  35          2HD2      ASN  35  34.753  -2.562  -4.966
  238   2HD2  ASN  35          1HD2      ASN  35  33.665  -3.484  -4.019
  239    H    CYS  36           H        CYS  36  34.717  -2.040  -1.996
  240    HA   CYS  36           HA       CYS  36  31.819  -2.198  -1.355
  241   1HB   CYS  36          2HB       CYS  36  32.072  -0.312  -0.116
  242   2HB   CYS  36          1HB       CYS  36  33.659  -0.960   0.099
  243    H    LYS  37           H        LYS  37  34.241  -0.689  -3.412
  244    HA   LYS  37           HA       LYS  37  32.017   0.109  -5.307
  245   1HB   LYS  37          2HB       LYS  37  33.850   1.753  -4.380
  246   2HB   LYS  37          1HB       LYS  37  34.873   1.000  -5.587
  247   1HG   LYS  37          2HG       LYS  37  33.161   1.526  -7.342
  248   2HG   LYS  37          1HG       LYS  37  32.194   2.326  -6.116
  249   1HD   LYS  37          2HD       LYS  37  34.298   3.768  -5.609
  250   2HD   LYS  37          1HD       LYS  37  34.943   3.131  -7.113
  251   1HE   LYS  37          2HE       LYS  37  32.337   4.673  -6.842
  252   2HE   LYS  37          1HE       LYS  37  33.838   5.305  -7.506
  253   1HZ   LYS  37          3HZ       LYS  37  33.223   2.907  -8.797
  254   2HZ   LYS  37          2HZ       LYS  37  31.845   3.907  -8.814
  255   3HZ   LYS  37          1HZ       LYS  37  33.320   4.474  -9.438
  256    H    ALA  38           H        ALA  38  31.631  -1.602  -6.616
  257    HA   ALA  38           HA       ALA  38  33.599  -3.539  -7.400
  258   1HB   ALA  38          1HB       ALA  38  30.915  -2.836  -8.659
  259   2HB   ALA  38          3HB       ALA  38  31.841  -4.286  -9.001
  260   3HB   ALA  38          2HB       ALA  38  31.180  -4.034  -7.392
  261    H    HIS  39           H        HIS  39  33.985  -0.589  -8.097
  262    HA   HIS  39           HA       HIS  39  34.961  -1.015 -10.885
  263   1HB   HIS  39          2HB       HIS  39  33.931   1.642  -9.843
  264   2HB   HIS  39          1HB       HIS  39  34.097   1.156 -11.518
  265    HD1  HIS  39           HD1      HIS  39  32.607  -1.508 -11.351
  266    HD2  HIS  39           HD2      HIS  39  31.353   1.988  -9.467
  267    HE1  HIS  39           HE1      HIS  39  30.173  -1.623 -10.933
  268    H    GLY  40           H        GLY  40  35.792  -0.403  -7.713
  269   1HA   GLY  40          2HA       GLY  40  38.367  -0.353  -7.547
  270   2HA   GLY  40          1HA       GLY  40  38.258   1.115  -8.470
  271    HA   PRO  41           HA       PRO  41  38.071   3.254  -8.336
  272   1HB   PRO  41          2HB       PRO  41  39.450   5.401  -7.359
  273   2HB   PRO  41          1HB       PRO  41  37.706   5.250  -7.139
  274   1HG   PRO  41          2HG       PRO  41  39.878   4.297  -5.194
  275   2HG   PRO  41          1HG       PRO  41  38.568   5.423  -4.846
  276   1HD   PRO  41          2HD       PRO  41  38.198   2.863  -4.269
  277   2HD   PRO  41          1HD       PRO  41  36.861   3.739  -5.028
  278    H    ASN  42           H        ASN  42  40.669   4.354  -8.929
  279    HA   ASN  42           HA       ASN  42  42.269   1.907  -8.685
  280   1HB   ASN  42          2HB       ASN  42  41.860   3.067 -11.005
  281   2HB   ASN  42          1HB       ASN  42  42.823   4.406 -10.383
  282   1HD2  ASN  42          2HD2      ASN  42  44.833   0.858 -10.654
  283   2HD2  ASN  42          1HD2      ASN  42  43.242   0.827 -10.053
  284    H    ILE  43           H        ILE  43  41.641   4.688  -7.151
  285    HA   ILE  43           HA       ILE  43  44.377   5.076  -6.546
  286    HB   ILE  43           HB       ILE  43  42.023   6.784  -5.500
  287   1HG1  ILE  43          2HG1      ILE  43  43.853   7.186  -7.949
  288   2HG1  ILE  43          1HG1      ILE  43  42.183   6.686  -8.046
  289   1HG2  ILE  43          1HG2      ILE  43  44.187   7.133  -4.245
  290   2HG2  ILE  43          3HG2      ILE  43  45.009   7.469  -5.756
  291   3HG2  ILE  43          2HG2      ILE  43  43.770   8.557  -5.159
  292   1HD1  ILE  43          1HD1      ILE  43  41.448   8.849  -7.042
  293   2HD1  ILE  43          3HD1      ILE  43  43.121   9.379  -6.964
  294   3HD1  ILE  43          2HD1      ILE  43  42.367   9.093  -8.514
  295    H    GLY  44           H        GLY  44  43.116   2.844  -5.774
  296   1HA   GLY  44          2HA       GLY  44  43.761   1.469  -3.830
  297   2HA   GLY  44          1HA       GLY  44  43.153   2.775  -2.776
  298    H    TRP  45           H        TRP  45  42.114   0.142  -2.981
  299    HA   TRP  45           HA       TRP  45  39.569   0.389  -4.535
  300   1HB   TRP  45          2HB       TRP  45  40.368  -1.806  -2.581
  301   2HB   TRP  45          1HB       TRP  45  39.077  -1.890  -3.766
  302    HD1  TRP  45           HD1      TRP  45  42.946  -1.707  -3.573
  303    HE1  TRP  45           HE1      TRP  45  43.921  -2.616  -5.641
  304    HE3  TRP  45           HE3      TRP  45  38.651  -2.310  -6.163
  305    HZ2  TRP  45           HZ2      TRP  45  43.039  -3.450  -8.135
  306    HZ3  TRP  45           HZ3      TRP  45  38.773  -3.193  -8.475
  307    HH2  TRP  45           HH2      TRP  45  40.968  -3.763  -9.459
  308    H    CYS  46           H        CYS  46  37.476   1.029  -3.486
  309    HA   CYS  46           HA       CYS  46  37.881   1.687  -0.604
  310   1HB   CYS  46          2HB       CYS  46  35.755   2.328  -2.636
  311   2HB   CYS  46          1HB       CYS  46  35.555   2.730  -0.951
  312    H    CYS  47           H        CYS  47  37.430   0.179   0.668
  313    HA   CYS  47           HA       CYS  47  35.502  -1.923  -0.161
  314   1HB   CYS  47          2HB       CYS  47  38.133  -2.067   1.238
  315   2HB   CYS  47          1HB       CYS  47  37.084  -3.397   1.274
  316    H    LYS  48           H        LYS  48  35.252  -3.339   2.085
  317    HA   LYS  48           HA       LYS  48  35.013  -1.499   4.266
  318   1HB   LYS  48          2HB       LYS  48  32.786  -1.502   4.605
  319   2HB   LYS  48          1HB       LYS  48  32.897  -1.275   2.882
  320   1HG   LYS  48          2HG       LYS  48  32.237  -3.831   4.352
  321   2HG   LYS  48          1HG       LYS  48  31.214  -2.807   3.386
  322   1HD   LYS  48          2HD       LYS  48  33.008  -3.109   1.563
  323   2HD   LYS  48          1HD       LYS  48  33.615  -4.401   2.525
  324   1HE   LYS  48          2HE       LYS  48  30.763  -4.434   1.453
  325   2HE   LYS  48          1HE       LYS  48  32.076  -5.489   0.951
  326   1HZ   LYS  48          2HZ       LYS  48  31.927  -5.645   3.712
  327   2HZ   LYS  48          1HZ       LYS  48  30.339  -5.805   3.119
  328   3HZ   LYS  48          3HZ       LYS  48  31.558  -6.850   2.575
  329    H    LYS  49           H        LYS  49  34.057  -2.700   6.066
  330    HA   LYS  49           HA       LYS  49  35.350  -5.416   6.189
  331   1HB   LYS  49          2HB       LYS  49  34.321  -3.526   8.356
  332   2HB   LYS  49          1HB       LYS  49  34.747  -5.193   8.722
  333   1HG   LYS  49          2HG       LYS  49  37.015  -4.711   7.590
  334   2HG   LYS  49          1HG       LYS  49  36.552  -3.015   7.605
  335   1HD   LYS  49          2HD       LYS  49  36.297  -3.085  10.069
  336   2HD   LYS  49          1HD       LYS  49  36.642  -4.806  10.079
  337   1HE   LYS  49          2HE       LYS  49  38.919  -4.293   9.082
  338   2HE   LYS  49          1HE       LYS  49  38.549  -2.584   9.279
  339   1HZ   LYS  49          1HZ       LYS  49  37.986  -3.843  11.692
  340   2HZ   LYS  49          3HZ       LYS  49  39.522  -4.360  11.196
  341   3HZ   LYS  49          2HZ       LYS  49  39.191  -2.702  11.338
   
  No H/Q in entry =         341
  Start of MODEL   19
    1   1H    GLY   1          2H        GLY   1  42.060   5.946   8.133
    2   2H    GLY   1          1H        GLY   1  42.709   4.382   7.997
    3   3H    GLY   1          3H        GLY   1  43.672   5.733   7.624
    4   1HA   GLY   1          2HA       GLY   1  43.003   5.659   5.519
    5   2HA   GLY   1          1HA       GLY   1  41.987   4.270   5.917
    6    H    VAL   2           H        VAL   2  41.309   6.416   4.082
    7    HA   VAL   2           HA       VAL   2  39.293   8.010   5.517
    8    HB   VAL   2           HB       VAL   2  39.847   7.898   2.514
    9   1HG1  VAL   2          1HG1      VAL   2  37.721   9.021   3.134
   10   2HG1  VAL   2          3HG1      VAL   2  38.586  10.092   4.222
   11   3HG1  VAL   2          2HG1      VAL   2  38.870  10.176   2.494
   12   1HG2  VAL   2          3HG2      VAL   2  41.126   9.747   4.591
   13   2HG2  VAL   2          2HG2      VAL   2  41.970   8.491   3.708
   14   3HG2  VAL   2          1HG2      VAL   2  41.335   9.875   2.852
   15    HA   PRO   3           HA       PRO   3  36.129   5.182   3.985
   16   1HB   PRO   3          2HB       PRO   3  33.909   6.340   4.889
   17   2HB   PRO   3          1HB       PRO   3  35.031   5.615   6.043
   18   1HG   PRO   3          2HG       PRO   3  34.968   8.557   5.077
   19   2HG   PRO   3          1HG       PRO   3  34.863   7.997   6.748
   20   1HD   PRO   3          2HD       PRO   3  37.268   8.688   5.703
   21   2HD   PRO   3          1HD       PRO   3  37.169   7.281   6.782
   22    H    CYS   4           H        CYS   4  35.175   5.056   2.076
   23    HA   CYS   4           HA       CYS   4  34.648   7.629   0.641
   24   1HB   CYS   4          2HB       CYS   4  35.214   5.878  -1.398
   25   2HB   CYS   4          1HB       CYS   4  36.370   6.946  -0.674
   26    H    LEU   5           H        LEU   5  33.363   7.160  -1.407
   27    HA   LEU   5           HA       LEU   5  30.833   5.888  -0.560
   28   1HB   LEU   5          2HB       LEU   5  30.856   8.271  -1.416
   29   2HB   LEU   5          1HB       LEU   5  31.499   7.715  -2.941
   30    HG   LEU   5           HG       LEU   5  28.841   6.570  -1.940
   31   1HD1  LEU   5          3HD1      LEU   5  29.220   9.197  -3.468
   32   2HD1  LEU   5          2HD1      LEU   5  27.681   8.433  -3.113
   33   3HD1  LEU   5          1HD1      LEU   5  28.661   9.073  -1.810
   34   1HD2  LEU   5          3HD2      LEU   5  29.925   5.627  -4.078
   35   2HD2  LEU   5          2HD2      LEU   5  28.389   6.393  -4.365
   36   3HD2  LEU   5          1HD2      LEU   5  29.875   7.237  -4.752
   37    H    CYS   6           H        CYS   6  29.862   4.353  -1.943
   38    HA   CYS   6           HA       CYS   6  31.481   3.167  -4.048
   39   1HB   CYS   6          2HB       CYS   6  30.321   1.464  -1.830
   40   2HB   CYS   6          1HB       CYS   6  31.454   0.988  -3.011
   41    H    ASP   7           H        ASP   7  30.176   1.027  -4.694
   42    HA   ASP   7           HA       ASP   7  27.674   2.061  -5.783
   43   1HB   ASP   7          2HB       ASP   7  29.033   0.615  -7.243
   44   2HB   ASP   7          1HB       ASP   7  29.079  -0.666  -6.055
   45    H    SER   8           H        SER   8  28.679  -0.466  -3.564
   46    HA   SER   8           HA       SER   8  25.885  -0.708  -2.533
   47   1HB   SER   8          2HB       SER   8  28.270  -2.637  -2.311
   48   2HB   SER   8          1HB       SER   8  26.661  -2.949  -1.646
   49    HG   SER   8           HG       SER   8  26.001  -3.431  -3.623
   50    H    ASP   9           H        ASP   9  27.691   1.451  -1.974
   51    HA   ASP   9           HA       ASP   9  28.984   1.061   0.579
   52   1HB   ASP   9          2HB       ASP   9  29.929   2.824  -0.463
   53   2HB   ASP   9          1HB       ASP   9  28.510   3.392  -1.279
   54    H    GLY  10           H        GLY  10  27.275  -0.010   1.661
   55   1HA   GLY  10          2HA       GLY  10  25.601  -0.079   3.343
   56   2HA   GLY  10          1HA       GLY  10  25.974   1.614   3.617
   57    HA   PRO  11           HA       PRO  11  22.838   1.796   0.046
   58   1HB   PRO  11          2HB       PRO  11  21.707  -0.384  -1.039
   59   2HB   PRO  11          1HB       PRO  11  23.428  -0.053  -1.316
   60   1HG   PRO  11          2HG       PRO  11  22.222  -1.743   0.967
   61   2HG   PRO  11          1HG       PRO  11  23.348  -2.308  -0.275
   62   1HD   PRO  11          2HD       PRO  11  24.368  -1.436   2.041
   63   2HD   PRO  11          1HD       PRO  11  25.134  -0.892   0.535
   64    H    ARG  12           H        ARG  12  22.185   1.407   2.906
   65    HA   ARG  12           HA       ARG  12  19.252   1.618   2.734
   66   1HB   ARG  12          2HB       ARG  12  20.883  -0.227   4.471
   67   2HB   ARG  12          1HB       ARG  12  19.336   0.351   5.052
   68   1HG   ARG  12          2HG       ARG  12  18.324  -0.462   2.851
   69   2HG   ARG  12          1HG       ARG  12  19.877  -1.216   2.493
   70   1HD   ARG  12          2HD       ARG  12  19.804  -2.542   4.463
   71   2HD   ARG  12          1HD       ARG  12  18.378  -1.692   5.076
   72    HE   ARG  12           HE       ARG  12  18.215  -3.999   3.531
   73   1HH1  ARG  12          1HH2      ARG  12  16.060  -1.921   4.455
   74   2HH1  ARG  12          2HH2      ARG  12  15.184  -1.717   2.980
   75   1HH2  ARG  12          2HH1      ARG  12  17.691  -3.283   1.081
   76   2HH2  ARG  12          1HH1      ARG  12  16.143  -2.528   0.996
   77    HA   PRO  13           HA       PRO  13  19.964   5.116   5.311
   78   1HB   PRO  13          2HB       PRO  13  17.812   5.305   6.935
   79   2HB   PRO  13          1HB       PRO  13  17.671   5.424   5.171
   80   1HG   PRO  13          2HG       PRO  13  17.451   2.870   6.893
   81   2HG   PRO  13          1HG       PRO  13  16.179   3.536   5.861
   82   1HD   PRO  13          2HD       PRO  13  17.781   1.684   4.805
   83   2HD   PRO  13          1HD       PRO  13  17.472   3.134   3.833
   84    H    ARG  14           H        ARG  14  21.753   3.676   6.104
   85    HA   ARG  14           HA       ARG  14  21.807   3.761   9.079
   86   1HB   ARG  14          2HB       ARG  14  22.947   1.499   7.344
   87   2HB   ARG  14          1HB       ARG  14  23.070   1.604   9.096
   88   1HG   ARG  14          2HG       ARG  14  20.523   1.610   9.190
   89   2HG   ARG  14          1HG       ARG  14  20.508   1.288   7.469
   90   1HD   ARG  14          2HD       ARG  14  21.837  -0.525   9.526
   91   2HD   ARG  14          1HD       ARG  14  20.275  -0.814   8.763
   92    HE   ARG  14           HE       ARG  14  22.502  -0.408   6.890
   93   1HH1  ARG  14          1HH2      ARG  14  19.998  -1.927   6.396
   94   2HH1  ARG  14          2HH2      ARG  14  20.536  -3.572   6.412
   95   1HH2  ARG  14          2HH1      ARG  14  23.550  -2.728   8.000
   96   2HH2  ARG  14          1HH1      ARG  14  22.624  -4.046   7.376
   97    H    GLY  15           H        GLY  15  23.758   4.761   9.709
   98   1HA   GLY  15          2HA       GLY  15  25.942   5.679   9.464
   99   2HA   GLY  15          1HA       GLY  15  26.075   4.863   7.910
  100    H    ASN  16           H        ASN  16  23.680   5.928   6.868
  101    HA   ASN  16           HA       ASN  16  22.667   7.731   5.797
  102   1HB   ASN  16          2HB       ASN  16  24.735   9.537   7.263
  103   2HB   ASN  16          1HB       ASN  16  23.510  10.107   6.167
  104   1HD2  ASN  16          2HD2      ASN  16  21.974   8.424   9.540
  105   2HD2  ASN  16          1HD2      ASN  16  23.201   7.591   8.702
  106    H    THR  17           H        THR  17  26.190   8.135   6.063
  107    HA   THR  17           HA       THR  17  26.510   7.514   3.206
  108    HB   THR  17           HB       THR  17  27.442  10.232   4.392
  109    HG1  THR  17           HG1      THR  17  25.112   9.366   3.255
  110   1HG2  THR  17          3HG2      THR  17  27.340   9.219   1.485
  111   2HG2  THR  17          2HG2      THR  17  27.917  10.785   2.016
  112   3HG2  THR  17          1HG2      THR  17  28.841   9.345   2.396
  113    H    LEU  18           H        LEU  18  28.786   7.037   2.794
  114    HA   LEU  18           HA       LEU  18  30.923   6.227   3.310
  115   1HB   LEU  18          2HB       LEU  18  30.534   7.445   6.097
  116   2HB   LEU  18          1HB       LEU  18  32.037   6.958   5.384
  117    HG   LEU  18           HG       LEU  18  30.304   9.180   4.199
  118   1HD1  LEU  18          3HD1      LEU  18  32.756   9.373   6.012
  119   2HD1  LEU  18          2HD1      LEU  18  31.975  10.740   5.242
  120   3HD1  LEU  18          1HD1      LEU  18  31.118   9.805   6.455
  121   1HD2  LEU  18          2HD2      LEU  18  31.939   8.088   2.598
  122   2HD2  LEU  18          1HD2      LEU  18  32.372   9.748   2.946
  123   3HD2  LEU  18          3HD2      LEU  18  33.234   8.439   3.721
  124    H    SER  19           H        SER  19  30.910   4.058   3.392
  125    HA   SER  19           HA       SER  19  30.215   2.734   5.964
  126   1HB   SER  19          2HB       SER  19  28.176   2.836   4.289
  127   2HB   SER  19          1HB       SER  19  29.089   1.649   3.350
  128    HG   SER  19           HG       SER  19  27.700   1.289   5.626
  129    H    GLY  20           H        GLY  20  32.754   3.249   4.545
  130   1HA   GLY  20          2HA       GLY  20  33.928   0.655   4.834
  131   2HA   GLY  20          1HA       GLY  20  33.743   1.031   3.113
  132    H    ILE  21           H        ILE  21  36.272   0.791   3.594
  133    HA   ILE  21           HA       ILE  21  37.321   3.580   3.917
  134    HB   ILE  21           HB       ILE  21  38.646   1.076   5.018
  135   1HG1  ILE  21          2HG1      ILE  21  36.692   1.877   6.451
  136   2HG1  ILE  21          1HG1      ILE  21  38.220   1.897   7.298
  137   1HG2  ILE  21          3HG2      ILE  21  39.603   3.935   5.136
  138   2HG2  ILE  21          2HG2      ILE  21  40.327   2.598   6.022
  139   3HG2  ILE  21          1HG2      ILE  21  40.345   2.604   4.270
  140   1HD1  ILE  21          1HD1      ILE  21  36.935   4.323   5.986
  141   2HD1  ILE  21          3HD1      ILE  21  36.927   3.986   7.705
  142   3HD1  ILE  21          2HD1      ILE  21  38.435   4.355   6.893
  143    H    LEU  22           H        LEU  22  38.980   4.038   2.494
  144    HA   LEU  22           HA       LEU  22  39.087   2.418   0.123
  145   1HB   LEU  22          2HB       LEU  22  40.948   3.970  -0.590
  146   2HB   LEU  22          1HB       LEU  22  39.462   4.760  -0.143
  147    HG   LEU  22           HG       LEU  22  40.504   5.183   2.137
  148   1HD1  LEU  22          2HD1      LEU  22  43.070   4.489   0.624
  149   2HD1  LEU  22          1HD1      LEU  22  43.025   5.286   2.182
  150   3HD1  LEU  22          3HD1      LEU  22  42.484   3.641   2.037
  151   1HD2  LEU  22          3HD2      LEU  22  41.762   6.452  -0.346
  152   2HD2  LEU  22          2HD2      LEU  22  40.254   6.940   0.396
  153   3HD2  LEU  22          1HD2      LEU  22  41.765   7.188   1.249
  154    H    TRP  23           H        TRP  23  40.957   1.303  -0.713
  155    HA   TRP  23           HA       TRP  23  42.903   0.461   1.283
  156   1HB   TRP  23          2HB       TRP  23  40.876  -1.288  -0.045
  157   2HB   TRP  23          1HB       TRP  23  42.478  -1.974   0.090
  158    HD1  TRP  23           HD1      TRP  23  39.492  -1.232   2.275
  159    HE1  TRP  23           HE1      TRP  23  40.079  -1.454   4.696
  160    HE3  TRP  23           HE3      TRP  23  44.359  -1.574   1.674
  161    HZ2  TRP  23           HZ2      TRP  23  42.427  -1.671   6.219
  162    HZ3  TRP  23           HZ3      TRP  23  45.904  -1.739   3.596
  163    HH2  TRP  23           HH2      TRP  23  44.914  -1.808   5.928
  164    H    PHE  24           H        PHE  24  44.640   0.096   0.900
  165    HA   PHE  24           HA       PHE  24  45.903   0.560  -1.671
  166   1HB   PHE  24          2HB       PHE  24  46.491   0.816   1.238
  167   2HB   PHE  24          1HB       PHE  24  47.889   0.319   0.369
  168    HD1  PHE  24           HD1      PHE  24  45.023   2.764   0.185
  169    HD2  PHE  24           HD2      PHE  24  49.151   2.105  -0.637
  170    HE1  PHE  24           HE1      PHE  24  45.257   5.100  -0.510
  171    HE2  PHE  24           HE2      PHE  24  49.383   4.447  -1.332
  172    HZ   PHE  24           HZ       PHE  24  47.439   5.952  -1.270
  173    H    TYR  25           H        TYR  25  44.685  -1.962  -1.644
  174    HA   TYR  25           HA       TYR  25  46.990  -3.759  -1.458
  175   1HB   TYR  25          2HB       TYR  25  44.140  -4.142  -0.645
  176   2HB   TYR  25          1HB       TYR  25  44.778  -5.474  -1.581
  177    HD1  TYR  25           HD1      TYR  25  46.820  -3.314   0.532
  178    HD2  TYR  25           HD2      TYR  25  44.939  -7.084   0.252
  179    HE1  TYR  25           HE1      TYR  25  48.042  -4.056   2.546
  180    HE2  TYR  25           HE2      TYR  25  46.155  -7.851   2.242
  181    HH   TYR  25           HH       TYR  25  48.244  -7.269   3.506
  182    HA   PRO  26           HA       PRO  26  46.595  -3.977  -5.650
  183   1HB   PRO  26          2HB       PRO  26  48.290  -6.092  -6.247
  184   2HB   PRO  26          1HB       PRO  26  48.933  -4.576  -5.596
  185   1HG   PRO  26          2HG       PRO  26  48.047  -7.064  -4.012
  186   2HG   PRO  26          1HG       PRO  26  49.607  -6.238  -3.932
  187   1HD   PRO  26          2HD       PRO  26  47.649  -5.578  -2.137
  188   2HD   PRO  26          1HD       PRO  26  48.600  -4.242  -2.813
  189    H    SER  27           H        SER  27  45.648  -6.312  -3.495
  190    HA   SER  27           HA       SER  27  44.173  -8.047  -5.360
  191   1HB   SER  27          2HB       SER  27  43.731  -9.239  -3.065
  192   2HB   SER  27          1HB       SER  27  45.425  -9.200  -3.595
  193    HG   SER  27           HG       SER  27  44.144  -7.774  -1.589
  194    H    GLY  28           H        GLY  28  43.501  -5.152  -4.722
  195   1HA   GLY  28          2HA       GLY  28  41.336  -4.103  -4.685
  196   2HA   GLY  28          1HA       GLY  28  40.625  -5.650  -4.287
  197    H    CYS  29           H        CYS  29  40.543  -6.345  -2.205
  198    HA   CYS  29           HA       CYS  29  41.020  -4.341  -0.139
  199   1HB   CYS  29          2HB       CYS  29  39.543  -6.957   0.068
  200   2HB   CYS  29          1HB       CYS  29  39.487  -5.568   1.085
  201    HA   PRO  30           HA       PRO  30  43.590  -7.422   2.045
  202   1HB   PRO  30          2HB       PRO  30  43.986  -6.260   4.370
  203   2HB   PRO  30          1HB       PRO  30  44.504  -5.355   2.930
  204   1HG   PRO  30          2HG       PRO  30  41.810  -5.222   4.273
  205   2HG   PRO  30          1HG       PRO  30  42.904  -3.903   4.096
  206   1HD   PRO  30          2HD       PRO  30  40.914  -4.417   2.263
  207   2HD   PRO  30          1HD       PRO  30  42.469  -3.793   1.689
  208    H    SER  31           H        SER  31  43.517  -8.770   3.811
  209    HA   SER  31           HA       SER  31  41.295 -10.352   4.061
  210   1HB   SER  31          2HB       SER  31  42.669 -11.244   6.106
  211   2HB   SER  31          1HB       SER  31  43.525 -11.196   4.554
  212    HG   SER  31           HG       SER  31  43.379  -9.010   6.363
  213    H    GLY  32           H        GLY  32  39.470  -9.917   4.886
  214   1HA   GLY  32          2HA       GLY  32  38.156  -9.771   7.048
  215   2HA   GLY  32          1HA       GLY  32  39.236  -8.464   7.520
  216    H    TRP  33           H        TRP  33  38.871  -7.942   4.408
  217    HA   TRP  33           HA       TRP  33  36.535  -6.147   4.726
  218   1HB   TRP  33          2HB       TRP  33  38.944  -6.040   2.882
  219   2HB   TRP  33          1HB       TRP  33  37.707  -4.814   2.920
  220    HD1  TRP  33           HD1      TRP  33  40.356  -6.322   5.430
  221    HE1  TRP  33           HE1      TRP  33  40.992  -4.552   7.069
  222    HE3  TRP  33           HE3      TRP  33  37.277  -2.766   3.755
  223    HZ2  TRP  33           HZ2      TRP  33  40.298  -1.918   7.571
  224    HZ3  TRP  33           HZ3      TRP  33  37.277  -0.580   4.812
  225    HH2  TRP  33           HH2      TRP  33  38.816  -0.139   6.760
  226    H    HIS  34           H        HIS  34  35.522  -5.793   2.437
  227    HA   HIS  34           HA       HIS  34  35.723  -8.229   0.764
  228   1HB   HIS  34          2HB       HIS  34  34.217  -8.742   2.691
  229   2HB   HIS  34          1HB       HIS  34  33.185  -7.402   2.230
  230    HD1  HIS  34           HD1      HIS  34  34.388 -10.701   0.911
  231    HD2  HIS  34           HD2      HIS  34  31.297  -7.981   0.348
  232    HE1  HIS  34           HE1      HIS  34  32.696 -11.703  -0.641
  233    H    ASN  35           H        ASN  35  36.198  -5.442   0.393
  234    HA   ASN  35           HA       ASN  35  36.008  -3.819  -1.212
  235   1HB   ASN  35          2HB       ASN  35  36.241  -5.894  -2.668
  236   2HB   ASN  35          1HB       ASN  35  34.485  -5.950  -2.779
  237   1HD2  ASN  35          2HD2      ASN  35  34.293  -3.064  -4.815
  238   2HD2  ASN  35          1HD2      ASN  35  33.418  -3.992  -3.673
  239    H    CYS  36           H        CYS  36  34.566  -2.208  -2.094
  240    HA   CYS  36           HA       CYS  36  31.800  -2.405  -0.969
  241   1HB   CYS  36          2HB       CYS  36  32.029  -0.164  -0.378
  242   2HB   CYS  36          1HB       CYS  36  33.523  -0.917   0.096
  243    H    LYS  37           H        LYS  37  33.652  -1.111  -3.626
  244    HA   LYS  37           HA       LYS  37  31.212  -1.054  -5.371
  245   1HB   LYS  37          2HB       LYS  37  31.993   1.355  -4.788
  246   2HB   LYS  37          1HB       LYS  37  33.533   0.953  -5.476
  247   1HG   LYS  37          2HG       LYS  37  32.675   0.867  -7.660
  248   2HG   LYS  37          1HG       LYS  37  31.039   0.548  -7.139
  249   1HD   LYS  37          2HD       LYS  37  30.980   2.918  -6.194
  250   2HD   LYS  37          1HD       LYS  37  32.585   3.171  -6.854
  251   1HE   LYS  37          2HE       LYS  37  31.726   2.845  -9.144
  252   2HE   LYS  37          1HE       LYS  37  30.143   2.411  -8.512
  253   1HZ   LYS  37          3HZ       LYS  37  30.845   4.850  -7.406
  254   2HZ   LYS  37          2HZ       LYS  37  31.172   4.946  -9.072
  255   3HZ   LYS  37          1HZ       LYS  37  29.618   4.523  -8.543
  256    H    ALA  38           H        ALA  38  31.655  -2.256  -7.251
  257    HA   ALA  38           HA       ALA  38  34.322  -3.500  -7.357
  258   1HB   ALA  38          2HB       ALA  38  31.984  -3.640  -9.310
  259   2HB   ALA  38          1HB       ALA  38  33.403  -4.668  -9.341
  260   3HB   ALA  38          3HB       ALA  38  32.268  -4.785  -8.004
  261    H    HIS  39           H        HIS  39  33.873  -0.486  -7.766
  262    HA   HIS  39           HA       HIS  39  35.493  -0.330 -10.257
  263   1HB   HIS  39          2HB       HIS  39  33.244   1.623  -9.742
  264   2HB   HIS  39          1HB       HIS  39  34.072   1.315 -11.256
  265    HD1  HIS  39           HD1      HIS  39  33.710  -1.539 -11.732
  266    HD2  HIS  39           HD2      HIS  39  30.869   0.661  -9.634
  267    HE1  HIS  39           HE1      HIS  39  31.544  -2.718 -11.800
  268    H    GLY  40           H        GLY  40  37.324   0.354  -9.552
  269   1HA   GLY  40          2HA       GLY  40  39.012   1.705  -8.737
  270   2HA   GLY  40          1HA       GLY  40  37.862   3.036  -8.813
  271    HA   PRO  41           HA       PRO  41  38.744   4.818  -7.543
  272   1HB   PRO  41          2HB       PRO  41  40.801   5.587  -5.831
  273   2HB   PRO  41          1HB       PRO  41  39.095   5.888  -5.478
  274   1HG   PRO  41          2HG       PRO  41  40.698   3.359  -4.723
  275   2HG   PRO  41          1HG       PRO  41  39.916   4.494  -3.606
  276   1HD   PRO  41          2HD       PRO  41  38.422   2.458  -4.304
  277   2HD   PRO  41          1HD       PRO  41  37.701   4.030  -4.609
  278    H    ASN  42           H        ASN  42  41.192   5.663  -8.146
  279    HA   ASN  42           HA       ASN  42  42.410   3.352  -9.500
  280   1HB   ASN  42          2HB       ASN  42  42.940   6.377  -9.818
  281   2HB   ASN  42          1HB       ASN  42  43.578   5.109 -10.833
  282   1HD2  ASN  42          2HD2      ASN  42  39.692   4.995 -11.647
  283   2HD2  ASN  42          1HD2      ASN  42  40.346   4.229 -10.277
  284    H    ILE  43           H        ILE  43  42.468   5.111  -6.762
  285    HA   ILE  43           HA       ILE  43  45.267   4.804  -6.541
  286    HB   ILE  43           HB       ILE  43  43.474   6.312  -4.548
  287   1HG1  ILE  43          2HG1      ILE  43  43.067   7.292  -6.816
  288   2HG1  ILE  43          1HG1      ILE  43  43.942   8.421  -5.821
  289   1HG2  ILE  43          2HG2      ILE  43  46.449   6.692  -5.160
  290   2HG2  ILE  43          1HG2      ILE  43  45.508   7.688  -4.064
  291   3HG2  ILE  43          3HG2      ILE  43  45.765   5.993  -3.710
  292   1HD1  ILE  43          3HD1      ILE  43  45.226   6.629  -7.940
  293   2HD1  ILE  43          2HD1      ILE  43  44.904   8.345  -8.102
  294   3HD1  ILE  43          1HD1      ILE  43  46.085   7.786  -6.940
  295    H    GLY  44           H        GLY  44  43.573   2.670  -6.313
  296   1HA   GLY  44          2HA       GLY  44  44.443   0.694  -4.905
  297   2HA   GLY  44          1HA       GLY  44  43.771   1.640  -3.546
  298    H    TRP  45           H        TRP  45  41.912   0.722  -3.146
  299    HA   TRP  45           HA       TRP  45  39.696   0.714  -5.151
  300   1HB   TRP  45          2HB       TRP  45  40.011  -1.826  -3.526
  301   2HB   TRP  45          1HB       TRP  45  39.149  -1.597  -5.035
  302    HD1  TRP  45           HD1      TRP  45  42.740  -1.841  -3.671
  303    HE1  TRP  45           HE1      TRP  45  44.277  -2.738  -5.357
  304    HE3  TRP  45           HE3      TRP  45  39.500  -1.972  -7.571
  305    HZ2  TRP  45           HZ2      TRP  45  44.208  -3.426  -8.037
  306    HZ3  TRP  45           HZ3      TRP  45  40.336  -2.797  -9.754
  307    HH2  TRP  45           HH2      TRP  45  42.690  -3.520  -9.982
  308    H    CYS  46           H        CYS  46  37.434   0.469  -3.749
  309    HA   CYS  46           HA       CYS  46  38.069   1.247  -0.910
  310   1HB   CYS  46          2HB       CYS  46  35.881   2.070  -2.835
  311   2HB   CYS  46          1HB       CYS  46  35.658   2.213  -1.112
  312    H    CYS  47           H        CYS  47  37.382   0.075   0.534
  313    HA   CYS  47           HA       CYS  47  35.418  -2.041  -0.047
  314   1HB   CYS  47          2HB       CYS  47  38.080  -2.212   1.379
  315   2HB   CYS  47          1HB       CYS  47  36.995  -3.516   1.389
  316    H    LYS  48           H        LYS  48  35.254  -3.229   2.289
  317    HA   LYS  48           HA       LYS  48  35.085  -1.217   4.348
  318   1HB   LYS  48          2HB       LYS  48  32.874  -1.258   4.780
  319   2HB   LYS  48          1HB       LYS  48  32.922  -1.080   3.043
  320   1HG   LYS  48          2HG       LYS  48  32.265  -3.535   4.669
  321   2HG   LYS  48          1HG       LYS  48  31.267  -2.580   3.599
  322   1HD   LYS  48          2HD       LYS  48  33.048  -3.067   1.838
  323   2HD   LYS  48          1HD       LYS  48  33.647  -4.274   2.911
  324   1HE   LYS  48          2HE       LYS  48  30.799  -4.320   1.792
  325   2HE   LYS  48          1HE       LYS  48  32.066  -5.483   1.436
  326   1HZ   LYS  48          1HZ       LYS  48  31.819  -5.356   4.200
  327   2HZ   LYS  48          3HZ       LYS  48  30.246  -5.483   3.559
  328   3HZ   LYS  48          2HZ       LYS  48  31.427  -6.651   3.182
  329    H    LYS  49           H        LYS  49  34.100  -2.299   6.249
  330    HA   LYS  49           HA       LYS  49  35.535  -4.866   6.707
  331   1HB   LYS  49          2HB       LYS  49  34.124  -2.827   8.478
  332   2HB   LYS  49          1HB       LYS  49  34.549  -4.389   9.139
  333   1HG   LYS  49          2HG       LYS  49  36.626  -2.677   7.733
  334   2HG   LYS  49          1HG       LYS  49  36.248  -2.439   9.429
  335   1HD   LYS  49          2HD       LYS  49  36.685  -4.997   9.702
  336   2HD   LYS  49          1HD       LYS  49  37.353  -4.947   8.081
  337   1HE   LYS  49          2HE       LYS  49  39.129  -4.703   9.810
  338   2HE   LYS  49          1HE       LYS  49  39.030  -3.264   8.816
  339   1HZ   LYS  49          1HZ       LYS  49  37.257  -2.963  10.943
  340   2HZ   LYS  49          3HZ       LYS  49  38.747  -3.475  11.576
  341   3HZ   LYS  49          2HZ       LYS  49  38.664  -2.075  10.618
   
  No H/Q in entry =         341
  Start of MODEL   20
    1   1H    GLY   1          3H        GLY   1  42.758   4.823   7.057
    2   2H    GLY   1          2H        GLY   1  42.850   3.179   6.637
    3   3H    GLY   1          1H        GLY   1  44.136   4.227   6.257
    4   1HA   GLY   1          2HA       GLY   1  43.198   4.717   4.316
    5   2HA   GLY   1          1HA       GLY   1  41.894   3.606   4.682
    6    H    VAL   2           H        VAL   2  41.128   5.623   3.248
    7    HA   VAL   2           HA       VAL   2  39.964   7.670   5.070
    8    HB   VAL   2           HB       VAL   2  40.319   7.787   2.028
    9   1HG1  VAL   2          1HG1      VAL   2  38.466   9.209   2.870
   10   2HG1  VAL   2          3HG1      VAL   2  39.564   9.987   4.004
   11   3HG1  VAL   2          2HG1      VAL   2  39.788  10.190   2.277
   12   1HG2  VAL   2          1HG2      VAL   2  41.988   9.146   4.209
   13   2HG2  VAL   2          3HG2      VAL   2  42.542   7.840   3.179
   14   3HG2  VAL   2          2HG2      VAL   2  42.173   9.399   2.481
   15    HA   PRO   3           HA       PRO   3  36.199   5.480   3.978
   16   1HB   PRO   3          2HB       PRO   3  34.333   7.076   5.052
   17   2HB   PRO   3          1HB       PRO   3  35.471   6.196   6.094
   18   1HG   PRO   3          2HG       PRO   3  35.804   9.047   4.960
   19   2HG   PRO   3          1HG       PRO   3  35.779   8.600   6.671
   20   1HD   PRO   3          2HD       PRO   3  38.136   8.777   5.434
   21   2HD   PRO   3          1HD       PRO   3  37.866   7.369   6.484
   22    H    CYS   4           H        CYS   4  34.952   5.422   2.201
   23    HA   CYS   4           HA       CYS   4  34.372   7.940   0.741
   24   1HB   CYS   4          2HB       CYS   4  35.039   6.315  -1.351
   25   2HB   CYS   4          1HB       CYS   4  36.126   7.457  -0.607
   26    H    LEU   5           H        LEU   5  32.949   7.406  -1.253
   27    HA   LEU   5           HA       LEU   5  30.771   5.656  -0.255
   28   1HB   LEU   5          2HB       LEU   5  30.492   8.213  -1.006
   29   2HB   LEU   5          1HB       LEU   5  30.639   7.586  -2.630
   30    HG   LEU   5           HG       LEU   5  28.596   6.214  -2.352
   31   1HD1  LEU   5          2HD1      LEU   5  28.573   7.193   0.548
   32   2HD1  LEU   5          1HD1      LEU   5  27.276   6.296  -0.217
   33   3HD1  LEU   5          3HD1      LEU   5  28.817   5.530   0.033
   34   1HD2  LEU   5          2HD2      LEU   5  28.190   8.678  -2.858
   35   2HD2  LEU   5          1HD2      LEU   5  26.900   8.003  -1.884
   36   3HD2  LEU   5          3HD2      LEU   5  28.147   8.984  -1.139
   37    H    CYS   6           H        CYS   6  29.960   4.067  -1.779
   38    HA   CYS   6           HA       CYS   6  32.052   3.350  -3.764
   39   1HB   CYS   6          2HB       CYS   6  30.346   1.291  -2.334
   40   2HB   CYS   6          1HB       CYS   6  31.972   1.238  -2.959
   41    H    ASP   7           H        ASP   7  30.377   0.892  -4.340
   42    HA   ASP   7           HA       ASP   7  29.627   1.654  -6.956
   43   1HB   ASP   7          2HB       ASP   7  28.566  -0.500  -7.103
   44   2HB   ASP   7          1HB       ASP   7  29.851  -0.705  -5.926
   45    H    SER   8           H        SER   8  27.900   2.128  -4.016
   46    HA   SER   8           HA       SER   8  25.399   2.890  -5.452
   47   1HB   SER   8          2HB       SER   8  25.311   1.500  -3.276
   48   2HB   SER   8          1HB       SER   8  25.867   2.954  -2.423
   49    HG   SER   8           HG       SER   8  24.141   4.077  -3.199
   50    H    ASP   9           H        ASP   9  28.053   4.328  -5.381
   51    HA   ASP   9           HA       ASP   9  27.607   6.883  -4.071
   52   1HB   ASP   9          2HB       ASP   9  29.909   6.198  -4.330
   53   2HB   ASP   9          1HB       ASP   9  29.752   5.820  -6.020
   54    H    GLY  10           H        GLY  10  25.529   7.063  -4.920
   55   1HA   GLY  10          2HA       GLY  10  25.436   8.828  -7.254
   56   2HA   GLY  10          1HA       GLY  10  24.543   7.324  -7.468
   57    HA   PRO  11           HA       PRO  11  21.105   9.181  -5.663
   58   1HB   PRO  11          2HB       PRO  11  19.602   7.162  -4.743
   59   2HB   PRO  11          1HB       PRO  11  20.150   7.106  -6.429
   60   1HG   PRO  11          2HG       PRO  11  21.587   5.922  -3.954
   61   2HG   PRO  11          1HG       PRO  11  21.028   5.029  -5.373
   62   1HD   PRO  11          2HD       PRO  11  23.575   5.925  -5.322
   63   2HD   PRO  11          1HD       PRO  11  22.652   6.119  -6.818
   64    H    ARG  12           H        ARG  12  23.261   9.476  -3.894
   65    HA   ARG  12           HA       ARG  12  21.846   9.415  -1.253
   66   1HB   ARG  12          2HB       ARG  12  24.094   8.014  -1.800
   67   2HB   ARG  12          1HB       ARG  12  24.827   9.520  -1.296
   68   1HG   ARG  12          2HG       ARG  12  24.561   8.097   0.643
   69   2HG   ARG  12          1HG       ARG  12  23.455   9.434   0.824
   70   1HD   ARG  12          2HD       ARG  12  21.551   8.027   0.173
   71   2HD   ARG  12          1HD       ARG  12  22.625   6.750  -0.383
   72    HE   ARG  12           HE       ARG  12  22.674   7.526   2.496
   73   1HH1  ARG  12          2HH1      ARG  12  23.533   5.105   0.553
   74   2HH1  ARG  12          1HH1      ARG  12  22.606   3.835   1.276
   75   1HH2  ARG  12          1HH2      ARG  12  20.771   6.094   3.248
   76   2HH2  ARG  12          2HH2      ARG  12  21.004   4.426   2.871
   77    HA   PRO  13           HA       PRO  13  22.519  13.823  -1.572
   78   1HB   PRO  13          2HB       PRO  13  21.138  14.685   0.596
   79   2HB   PRO  13          1HB       PRO  13  20.267  13.805  -0.672
   80   1HG   PRO  13          2HG       PRO  13  21.619  12.600   1.817
   81   2HG   PRO  13          1HG       PRO  13  19.902  12.522   1.410
   82   1HD   PRO  13          2HD       PRO  13  21.543  10.529   0.643
   83   2HD   PRO  13          1HD       PRO  13  20.300  11.085  -0.497
   84    H    ARG  14           H        ARG  14  22.987  15.493   0.509
   85    HA   ARG  14           HA       ARG  14  25.777  14.950   1.105
   86   1HB   ARG  14          2HB       ARG  14  24.000  17.152   2.270
   87   2HB   ARG  14          1HB       ARG  14  25.751  17.145   2.226
   88   1HG   ARG  14          2HG       ARG  14  25.704  17.254  -0.259
   89   2HG   ARG  14          1HG       ARG  14  23.946  17.247  -0.230
   90   1HD   ARG  14          2HD       ARG  14  24.029  19.341   1.210
   91   2HD   ARG  14          1HD       ARG  14  25.771  19.379   0.957
   92    HE   ARG  14           HE       ARG  14  25.232  19.533  -1.531
   93   1HH1  ARG  14          1HH2      ARG  14  22.461  19.276  -1.805
   94   2HH1  ARG  14          2HH2      ARG  14  21.806  20.861  -1.604
   95   1HH2  ARG  14          2HH1      ARG  14  24.722  22.053  -0.055
   96   2HH2  ARG  14          1HH1      ARG  14  23.134  22.499  -0.576
   97    H    GLY  15           H        GLY  15  26.635  14.896   3.298
   98   1HA   GLY  15          2HA       GLY  15  25.579  14.765   5.761
   99   2HA   GLY  15          1HA       GLY  15  24.932  13.260   5.096
  100    H    ASN  16           H        ASN  16  26.939  12.533   3.502
  101    HA   ASN  16           HA       ASN  16  29.023  11.477   3.336
  102   1HB   ASN  16          2HB       ASN  16  29.835  13.686   4.597
  103   2HB   ASN  16          1HB       ASN  16  29.900  12.641   6.009
  104   1HD2  ASN  16          2HD2      ASN  16  32.756  12.310   3.236
  105   2HD2  ASN  16          1HD2      ASN  16  31.580  13.538   3.146
  106    H    THR  17           H        THR  17  27.857   9.603   3.611
  107    HA   THR  17           HA       THR  17  27.661   8.358   6.266
  108    HB   THR  17           HB       THR  17  26.788   6.960   3.693
  109    HG1  THR  17           HG1      THR  17  25.419   8.530   3.321
  110   1HG2  THR  17          3HG2      THR  17  25.415   7.428   6.404
  111   2HG2  THR  17          2HG2      THR  17  24.874   6.340   5.138
  112   3HG2  THR  17          1HG2      THR  17  26.334   5.973   6.041
  113    H    LEU  18           H        LEU  18  29.294   7.079   6.952
  114    HA   LEU  18           HA       LEU  18  31.524   6.368   5.296
  115   1HB   LEU  18          2HB       LEU  18  30.744   6.051   8.145
  116   2HB   LEU  18          1HB       LEU  18  31.588   4.644   7.553
  117    HG   LEU  18           HG       LEU  18  33.446   6.009   6.751
  118   1HD1  LEU  18          2HD1      LEU  18  31.945   8.387   7.969
  119   2HD1  LEU  18          1HD1      LEU  18  33.574   8.452   7.332
  120   3HD1  LEU  18          3HD1      LEU  18  32.230   8.160   6.256
  121   1HD2  LEU  18          3HD2      LEU  18  33.533   5.153   9.062
  122   2HD2  LEU  18          2HD2      LEU  18  34.355   6.697   8.956
  123   3HD2  LEU  18          1HD2      LEU  18  32.748   6.608   9.664
  124    H    SER  19           H        SER  19  30.709   5.288   3.534
  125    HA   SER  19           HA       SER  19  29.350   2.695   3.915
  126   1HB   SER  19          2HB       SER  19  28.583   4.275   2.093
  127   2HB   SER  19          1HB       SER  19  30.152   4.086   1.306
  128    HG   SER  19           HG       SER  19  29.508   1.658   1.682
  129    H    GLY  20           H        GLY  20  32.664   3.681   3.415
  130   1HA   GLY  20          2HA       GLY  20  33.559   0.963   3.598
  131   2HA   GLY  20          1HA       GLY  20  33.608   1.480   1.926
  132    H    ILE  21           H        ILE  21  35.898   0.784   3.693
  133    HA   ILE  21           HA       ILE  21  37.143   3.547   3.877
  134    HB   ILE  21           HB       ILE  21  38.221   0.889   4.902
  135   1HG1  ILE  21          2HG1      ILE  21  36.288   1.765   6.286
  136   2HG1  ILE  21          1HG1      ILE  21  37.780   1.739   7.194
  137   1HG2  ILE  21          1HG2      ILE  21  39.407   3.661   5.165
  138   2HG2  ILE  21          3HG2      ILE  21  39.975   2.244   6.038
  139   3HG2  ILE  21          2HG2      ILE  21  40.075   2.295   4.293
  140   1HD1  ILE  21          3HD1      ILE  21  38.090   4.211   6.732
  141   2HD1  ILE  21          2HD1      ILE  21  36.568   4.196   5.861
  142   3HD1  ILE  21          1HD1      ILE  21  36.609   3.869   7.579
  143    H    LEU  22           H        LEU  22  38.743   4.102   2.553
  144    HA   LEU  22           HA       LEU  22  39.117   2.774   0.115
  145   1HB   LEU  22          2HB       LEU  22  39.260   5.172   0.389
  146   2HB   LEU  22          1HB       LEU  22  40.512   5.011   1.606
  147    HG   LEU  22           HG       LEU  22  41.936   3.965  -0.122
  148   1HD1  LEU  22          1HD1      LEU  22  39.784   5.135  -1.971
  149   2HD1  LEU  22          3HD1      LEU  22  41.315   4.510  -2.546
  150   3HD1  LEU  22          2HD1      LEU  22  40.144   3.431  -1.805
  151   1HD2  LEU  22          2HD2      LEU  22  41.119   6.867  -0.585
  152   2HD2  LEU  22          1HD2      LEU  22  42.336   6.296   0.552
  153   3HD2  LEU  22          3HD2      LEU  22  42.612   6.145  -1.173
  154    H    TRP  23           H        TRP  23  40.633   1.370  -0.568
  155    HA   TRP  23           HA       TRP  23  42.689   0.627   1.384
  156   1HB   TRP  23          2HB       TRP  23  40.644  -1.115   0.074
  157   2HB   TRP  23          1HB       TRP  23  42.234  -1.822   0.255
  158    HD1  TRP  23           HD1      TRP  23  39.267  -0.887   2.410
  159    HE1  TRP  23           HE1      TRP  23  39.867  -1.166   4.854
  160    HE3  TRP  23           HE3      TRP  23  44.123  -1.475   1.773
  161    HZ2  TRP  23           HZ2      TRP  23  42.186  -1.514   6.334
  162    HZ3  TRP  23           HZ3      TRP  23  45.647  -1.721   3.686
  163    HH2  TRP  23           HH2      TRP  23  44.672  -1.765   6.024
  164    H    PHE  24           H        PHE  24  44.391   0.227   0.989
  165    HA   PHE  24           HA       PHE  24  45.669   0.704  -1.572
  166   1HB   PHE  24          2HB       PHE  24  46.268   0.813   1.345
  167   2HB   PHE  24          1HB       PHE  24  47.657   0.349   0.475
  168    HD1  PHE  24           HD1      PHE  24  44.859   2.888   0.373
  169    HD2  PHE  24           HD2      PHE  24  49.018   2.184  -0.246
  170    HE1  PHE  24           HE1      PHE  24  45.206   5.281  -0.051
  171    HE2  PHE  24           HE2      PHE  24  49.355   4.586  -0.662
  172    HZ   PHE  24           HZ       PHE  24  47.445   6.133  -0.564
  173    H    TYR  25           H        TYR  25  44.438  -1.870  -1.583
  174    HA   TYR  25           HA       TYR  25  46.807  -3.591  -1.446
  175   1HB   TYR  25          2HB       TYR  25  44.032  -4.076  -0.604
  176   2HB   TYR  25          1HB       TYR  25  44.661  -5.380  -1.576
  177    HD1  TYR  25           HD1      TYR  25  46.782  -3.220   0.528
  178    HD2  TYR  25           HD2      TYR  25  44.863  -6.983   0.209
  179    HE1  TYR  25           HE1      TYR  25  48.082  -4.013   2.438
  180    HE2  TYR  25           HE2      TYR  25  46.177  -7.804   2.121
  181    HH   TYR  25           HH       TYR  25  48.511  -5.775   3.816
  182    HA   PRO  26           HA       PRO  26  46.598  -3.553  -5.651
  183   1HB   PRO  26          2HB       PRO  26  48.564  -5.420  -6.281
  184   2HB   PRO  26          1HB       PRO  26  48.980  -3.838  -5.609
  185   1HG   PRO  26          2HG       PRO  26  48.452  -6.448  -4.065
  186   2HG   PRO  26          1HG       PRO  26  49.881  -5.411  -3.965
  187   1HD   PRO  26          2HD       PRO  26  47.886  -5.046  -2.158
  188   2HD   PRO  26          1HD       PRO  26  48.570  -3.574  -2.873
  189    H    SER  27           H        SER  27  46.051  -6.293  -3.722
  190    HA   SER  27           HA       SER  27  44.859  -7.946  -5.838
  191   1HB   SER  27          2HB       SER  27  44.626  -9.518  -3.758
  192   2HB   SER  27          1HB       SER  27  46.281  -9.130  -4.266
  193    HG   SER  27           HG       SER  27  45.141  -8.543  -1.958
  194    H    GLY  28           H        GLY  28  43.736  -5.382  -4.335
  195   1HA   GLY  28          2HA       GLY  28  41.343  -4.833  -4.611
  196   2HA   GLY  28          1HA       GLY  28  40.954  -6.468  -4.071
  197    H    CYS  29           H        CYS  29  40.339  -6.548  -1.954
  198    HA   CYS  29           HA       CYS  29  41.088  -4.370  -0.140
  199   1HB   CYS  29          2HB       CYS  29  39.239  -6.684   0.435
  200   2HB   CYS  29          1HB       CYS  29  39.326  -5.080   1.093
  201    HA   PRO  30           HA       PRO  30  43.643  -7.341   2.046
  202   1HB   PRO  30          2HB       PRO  30  43.980  -6.253   4.463
  203   2HB   PRO  30          1HB       PRO  30  44.525  -5.321   3.051
  204   1HG   PRO  30          2HG       PRO  30  41.816  -5.239   4.377
  205   2HG   PRO  30          1HG       PRO  30  42.899  -3.894   4.219
  206   1HD   PRO  30          2HD       PRO  30  40.967  -4.273   2.355
  207   2HD   PRO  30          1HD       PRO  30  42.580  -3.811   1.789
  208    H    SER  31           H        SER  31  43.615  -8.843   3.705
  209    HA   SER  31           HA       SER  31  41.355 -10.425   3.890
  210   1HB   SER  31          2HB       SER  31  43.677 -11.224   4.553
  211   2HB   SER  31          1HB       SER  31  43.518 -10.281   6.051
  212    HG   SER  31           HG       SER  31  42.226 -11.796   6.781
  213    H    GLY  32           H        GLY  32  39.613 -10.142   4.797
  214   1HA   GLY  32          2HA       GLY  32  38.216  -9.872   6.868
  215   2HA   GLY  32          1HA       GLY  32  39.300  -8.571   7.349
  216    H    TRP  33           H        TRP  33  38.984  -8.051   4.186
  217    HA   TRP  33           HA       TRP  33  36.603  -6.308   4.524
  218   1HB   TRP  33          2HB       TRP  33  39.077  -6.052   2.804
  219   2HB   TRP  33          1HB       TRP  33  37.771  -4.889   2.783
  220    HD1  TRP  33           HD1      TRP  33  40.334  -6.360   5.362
  221    HE1  TRP  33           HE1      TRP  33  40.809  -4.640   7.099
  222    HE3  TRP  33           HE3      TRP  33  37.154  -2.856   3.735
  223    HZ2  TRP  33           HZ2      TRP  33  39.980  -2.092   7.714
  224    HZ3  TRP  33           HZ3      TRP  33  36.993  -0.721   4.934
  225    HH2  TRP  33           HH2      TRP  33  38.442  -0.334   6.944
  226    H    HIS  34           H        HIS  34  35.329  -6.106   2.576
  227    HA   HIS  34           HA       HIS  34  35.733  -8.319   0.600
  228   1HB   HIS  34          2HB       HIS  34  34.374  -9.004   2.591
  229   2HB   HIS  34          1HB       HIS  34  33.167  -7.817   2.144
  230    HD1  HIS  34           HD1      HIS  34  32.410  -8.257  -0.556
  231    HD2  HIS  34           HD2      HIS  34  33.861 -11.417   1.706
  232    HE1  HIS  34           HE1      HIS  34  31.656 -10.430  -1.604
  233    H    ASN  35           H        ASN  35  36.161  -5.607   0.383
  234    HA   ASN  35           HA       ASN  35  35.911  -3.845  -1.078
  235   1HB   ASN  35          2HB       ASN  35  35.968  -5.750  -2.712
  236   2HB   ASN  35          1HB       ASN  35  34.211  -5.786  -2.677
  237   1HD2  ASN  35          2HD2      ASN  35  36.048  -2.871  -4.814
  238   2HD2  ASN  35          1HD2      ASN  35  36.995  -3.955  -3.899
  239    H    CYS  36           H        CYS  36  34.626  -2.140  -1.745
  240    HA   CYS  36           HA       CYS  36  31.813  -2.092  -0.786
  241   1HB   CYS  36          2HB       CYS  36  32.287  -0.250   0.412
  242   2HB   CYS  36          1HB       CYS  36  33.899  -0.828   0.398
  243    H    LYS  37           H        LYS  37  34.308  -0.669  -2.774
  244    HA   LYS  37           HA       LYS  37  32.346  -0.025  -4.937
  245   1HB   LYS  37          2HB       LYS  37  33.772   1.863  -3.753
  246   2HB   LYS  37          1HB       LYS  37  35.122   1.198  -4.627
  247   1HG   LYS  37          2HG       LYS  37  34.047   1.620  -6.777
  248   2HG   LYS  37          1HG       LYS  37  32.515   1.993  -6.012
  249   1HD   LYS  37          2HD       LYS  37  33.787   3.956  -4.830
  250   2HD   LYS  37          1HD       LYS  37  35.062   3.647  -5.986
  251   1HE   LYS  37          2HE       LYS  37  33.597   4.126  -7.869
  252   2HE   LYS  37          1HE       LYS  37  32.183   4.176  -6.826
  253   1HZ   LYS  37          3HZ       LYS  37  34.072   5.975  -5.828
  254   2HZ   LYS  37          2HZ       LYS  37  33.902   6.266  -7.500
  255   3HZ   LYS  37          1HZ       LYS  37  32.535   6.300  -6.491
  256    H    ALA  38           H        ALA  38  32.385  -1.773  -6.080
  257    HA   ALA  38           HA       ALA  38  34.843  -3.278  -6.732
  258   1HB   ALA  38          3HB       ALA  38  31.935  -3.707  -7.566
  259   2HB   ALA  38          2HB       ALA  38  33.243  -4.837  -7.859
  260   3HB   ALA  38          1HB       ALA  38  32.721  -4.504  -6.209
  261    H    HIS  39           H        HIS  39  34.037  -0.501  -7.579
  262    HA   HIS  39           HA       HIS  39  34.594  -0.802 -10.499
  263   1HB   HIS  39          2HB       HIS  39  32.787   1.330  -9.266
  264   2HB   HIS  39          1HB       HIS  39  32.935   0.934 -10.975
  265    HD1  HIS  39           HD1      HIS  39  32.732  -2.216 -10.433
  266    HD2  HIS  39           HD2      HIS  39  30.229   0.762  -8.950
  267    HE1  HIS  39           HE1      HIS  39  30.560  -3.203  -9.845
  268    H    GLY  40           H        GLY  40  36.436  -0.506  -8.389
  269   1HA   GLY  40          2HA       GLY  40  38.541   0.693  -8.474
  270   2HA   GLY  40          1HA       GLY  40  37.702   2.052  -9.228
  271    HA   PRO  41           HA       PRO  41  38.608   3.924  -8.720
  272   1HB   PRO  41          2HB       PRO  41  40.074   5.748  -7.388
  273   2HB   PRO  41          1HB       PRO  41  38.308   5.802  -7.243
  274   1HG   PRO  41          2HG       PRO  41  40.249   4.270  -5.442
  275   2HG   PRO  41          1HG       PRO  41  39.099   5.468  -4.866
  276   1HD   PRO  41          2HD       PRO  41  38.272   3.017  -4.735
  277   2HD   PRO  41          1HD       PRO  41  37.174   4.228  -5.409
  278    H    ASN  42           H        ASN  42  41.290   4.555  -9.047
  279    HA   ASN  42           HA       ASN  42  42.619   1.950  -8.703
  280   1HB   ASN  42          2HB       ASN  42  44.250   2.918 -10.352
  281   2HB   ASN  42          1HB       ASN  42  42.636   3.070 -11.031
  282   1HD2  ASN  42          2HD2      ASN  42  44.669   6.392 -10.830
  283   2HD2  ASN  42          1HD2      ASN  42  45.327   4.844 -11.047
  284    H    ILE  43           H        ILE  43  42.157   4.861  -7.344
  285    HA   ILE  43           HA       ILE  43  44.762   4.964  -6.325
  286    HB   ILE  43           HB       ILE  43  42.429   6.777  -5.439
  287   1HG1  ILE  43          2HG1      ILE  43  42.548   6.889  -7.927
  288   2HG1  ILE  43          1HG1      ILE  43  43.067   8.389  -7.213
  289   1HG2  ILE  43          2HG2      ILE  43  45.440   7.350  -5.492
  290   2HG2  ILE  43          1HG2      ILE  43  44.202   8.503  -5.033
  291   3HG2  ILE  43          3HG2      ILE  43  44.468   7.070  -4.063
  292   1HD1  ILE  43          1HD1      ILE  43  44.971   6.234  -8.241
  293   2HD1  ILE  43          3HD1      ILE  43  44.558   7.724  -9.068
  294   3HD1  ILE  43          2HD1      ILE  43  45.457   7.784  -7.569
  295    H    GLY  44           H        GLY  44  43.186   2.865  -5.756
  296   1HA   GLY  44          2HA       GLY  44  43.495   1.448  -3.724
  297   2HA   GLY  44          1HA       GLY  44  42.959   2.807  -2.745
  298    H    TRP  45           H        TRP  45  41.939   0.020  -3.532
  299    HA   TRP  45           HA       TRP  45  39.311   0.558  -4.756
  300   1HB   TRP  45          2HB       TRP  45  39.744  -1.876  -2.998
  301   2HB   TRP  45          1HB       TRP  45  38.795  -1.734  -4.463
  302    HD1  TRP  45           HD1      TRP  45  42.565  -1.702  -3.454
  303    HE1  TRP  45           HE1      TRP  45  43.902  -2.879  -5.165
  304    HE3  TRP  45           HE3      TRP  45  38.846  -2.663  -6.772
  305    HZ2  TRP  45           HZ2      TRP  45  43.523  -4.058  -7.608
  306    HZ3  TRP  45           HZ3      TRP  45  39.428  -3.874  -8.845
  307    HH2  TRP  45           HH2      TRP  45  41.756  -4.567  -9.260
  308    H    CYS  46           H        CYS  46  37.336   1.213  -3.469
  309    HA   CYS  46           HA       CYS  46  37.952   1.588  -0.593
  310   1HB   CYS  46          2HB       CYS  46  35.525   2.260  -2.308
  311   2HB   CYS  46          1HB       CYS  46  35.647   2.623  -0.609
  312    H    CYS  47           H        CYS  47  37.402   0.152   0.781
  313    HA   CYS  47           HA       CYS  47  35.476  -1.994   0.087
  314   1HB   CYS  47          2HB       CYS  47  38.139  -2.135   1.473
  315   2HB   CYS  47          1HB       CYS  47  37.045  -3.439   1.385
  316    H    LYS  48           H        LYS  48  35.245  -3.467   2.150
  317    HA   LYS  48           HA       LYS  48  34.912  -1.797   4.414
  318   1HB   LYS  48          2HB       LYS  48  32.981  -1.376   2.945
  319   2HB   LYS  48          1HB       LYS  48  32.671  -3.093   2.791
  320   1HG   LYS  48          2HG       LYS  48  31.151  -2.036   4.407
  321   2HG   LYS  48          1HG       LYS  48  32.187  -3.206   5.215
  322   1HD   LYS  48          2HD       LYS  48  33.679  -1.481   5.932
  323   2HD   LYS  48          1HD       LYS  48  33.013  -0.389   4.794
  324   1HE   LYS  48          2HE       LYS  48  32.268   0.099   7.225
  325   2HE   LYS  48          1HE       LYS  48  30.882  -0.294   6.225
  326   1HZ   LYS  48          3HZ       LYS  48  31.914  -2.692   7.265
  327   2HZ   LYS  48          2HZ       LYS  48  31.767  -1.578   8.537
  328   3HZ   LYS  48          1HZ       LYS  48  30.423  -1.948   7.571
  329    H    LYS  49           H        LYS  49  34.511  -2.886   6.205
  330    HA   LYS  49           HA       LYS  49  35.575  -5.655   6.262
  331   1HB   LYS  49          2HB       LYS  49  34.694  -3.829   8.535
  332   2HB   LYS  49          1HB       LYS  49  35.370  -5.432   8.759
  333   1HG   LYS  49          2HG       LYS  49  37.411  -4.650   7.442
  334   2HG   LYS  49          1HG       LYS  49  36.714  -3.038   7.444
  335   1HD   LYS  49          2HD       LYS  49  38.318  -3.160   9.272
  336   2HD   LYS  49          1HD       LYS  49  36.712  -3.085   9.968
  337   1HE   LYS  49          2HE       LYS  49  36.734  -5.564  10.303
  338   2HE   LYS  49          1HE       LYS  49  38.318  -5.651   9.548
  339   1HZ   LYS  49          1HZ       LYS  49  38.417  -3.740  11.587
  340   2HZ   LYS  49          3HZ       LYS  49  37.680  -5.134  12.206
  341   3HZ   LYS  49          2HZ       LYS  49  39.212  -5.236  11.489
   
  No H/Q in entry =         341
   
  No H/Q in entry =         341