*HEADER    TOXIN                                   02-MAR-01   1I6G              
*TITLE     NMR SOLUTION STRUCTURE OF THE INSECT-SPECIFIC NEUROTOXIN              
*TITLE    2 VARIANT 5 (CSE-V5) FROM THE SCORPION CENTRUROIDES                    
*TITLE    3 SCULPTURATUS EWING                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTOXIN V-5;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CSE-V5                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CENTRUROIDES SCULPTURATUS;                      
*SOURCE   3 ORGANISM_COMMON: BARK SCORPION;                                      
*SOURCE   4 VARIANT: 5                                                           
*KEYWDS    SCORPION, NEUROTOXIN, SODIUM CHANNEL, ALPHA HELIX, BETA               
*KEYWDS   2 SHEET, DISULFIDE LINKAGES                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.J.JABLONSKY, P.L.JACKSON, N.R.KRISHNA                               
*REVDAT   1   01-AUG-01 1I6G    0                                                
distance constraints for CsE-v5
!!K1
assign (resid    1 and  name HA  )(resid    1 and  name HB1 ) 3.0 1.2 0.3
assign (resid    1 and  name HA  )(resid    1 and  name HB2 ) 3.0 1.2 0.3
assign (resid    1 and  name HA  )(resid    1 and  name HG# ) 4.0 3.2 2.0
assign (resid    1 and  name HG# )(resid    1 and  name HE1 ) 4.0 3.2 2.0
assign (resid    1 and  name HG# )(resid    1 and  name HE2 ) 4.0 3.2 2.0
assign (resid    1 and  name HD# )(resid    1 and  name HE1 ) 4.0 3.2 2.0
assign (resid    1 and  name HD# )(resid    1 and  name HE2 ) 4.0 3.2 2.0
assign (resid    1 and  name HA  )(resid    2 and  name HN  ) 2.3 0.5 0.2
assign (resid    1 and  name HB1 )(resid    2 and  name HN  ) 4.0 2.2 1.0
assign (resid    1 and  name HB2 )(resid    2 and  name HN  ) 3.0 1.2 0.3
assign (resid    1 and  name HG1 )(resid    2 and  name HN  ) 4.0 2.2 1.0
assign (resid    1 and  name HG2 )(resid    2 and  name HN  ) 4.0 2.2 1.0
assign (resid    1 and  name HB# )(resid   47 and  name HA  ) 4.0 3.2 2.0
assign (resid    1 and  name HG# )(resid   47 and  name HA  ) 4.0 3.2 2.0
assign (resid    1 and  name HD# )(resid   47 and  name HA  ) 4.0 3.2 2.0
assign (resid    1 and  name HE1 )(resid   47 and  name HA  ) 4.0 2.2 1.0
assign (resid    1 and  name HE2 )(resid   47 and  name HA  ) 4.0 2.2 1.0
assign (resid    1 and  name HE1 )(resid   49 and  name HB# ) 4.0 3.3 2.1
assign (resid    1 and  name HE2 )(resid   49 and  name HB# ) 4.0 3.3 2.1
assign (resid    1 and  name HE1 )(resid   51 and  name HG1#) 4.0 3.3 2.1
assign (resid    1 and  name HE2 )(resid   51 and  name HG1#) 4.0 3.3 2.1
assign (resid    1 and  name HE1 )(resid   51 and  name HG2#) 4.0 3.3 2.1
assign (resid    1 and  name HE2 )(resid   51 and  name HG2#) 4.0 3.3 2.1
!!D2 t2g3, DF=B1
assign (resid    2 and  name HN  )(resid    2 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid    2 and  name HB1 ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid    2 and  name HB2 ) 3.0 1.2 0.3
assign (resid    2 and  name HA  )(resid    2 and  name HB1 ) 3.0 1.2 0.3
assign (resid    2 and  name HA  )(resid    2 and  name HB2 ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid    3 and  name HN  ) 2.3 0.5 0.2
assign (resid    2 and  name HB1 )(resid    3 and  name HN  ) 3.0 1.2 0.3
assign (resid    2 and  name HB2 )(resid    3 and  name HN  ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid    3 and  name HN  ) 4.0 2.2 1.0
assign (resid    2 and  name HB1 )(resid   41 and  name HE1 ) 3.0 2.2 0.5
assign (resid    2 and  name HB2 )(resid   41 and  name HE1 ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid   43 and  name HA  ) 3.0 1.2 0.3
assign (resid    2 and  name HB2 )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HB1 )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid   44 and  name HN  ) 3.0 1.2 0.3
assign (resid    2 and  name HB2 )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid    2 and  name HB1 )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid    2 and  name HA  )(resid   45 and  name HN  ) 3.0 1.2 0.3
!!G3
assign (resid    3 and  name HN  )(resid    3 and  name HA1 ) 4.0 2.2 1.0 
assign (resid    3 and  name HN  )(resid    3 and  name HA2 ) 4.0 2.2 1.0
assign (resid    3 and  name HA1 )(resid    4 and  name HN  ) 2.5 0.7 0.2
assign (resid    3 and  name HA2 )(resid    4 and  name HN  ) 2.5 0.7 0.2
assign (resid    3 and  name HN  )(resid    4 and  name HN  ) 4.0 2.2 1.0
assign (resid    3 and  name HA2 )(resid   41 and  name HE# ) 2.5 2.7 2.2
assign (resid    3 and  name HA1 )(resid   41 and  name HE# ) 4.0 4.2 3.0
assign (resid    3 and  name HA2 )(resid   41 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HN  )(resid   41 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HN  )(resid   41 and  name HE# ) 4.0 4.2 3.0
assign (resid    3 and  name HN  )(resid   42 and  name HN  ) 3.0 1.2 0.3
assign (resid    3 and  name HN  )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid   45 and  name HD1#) 3.0 2.1 1.2
assign (resid    3 and  name HA1 )(resid   51 and  name HB  ) 4.0 2.2 1.0
assign (resid    3 and  name HA1 )(resid   51 and  name HG1#) 4.0 3.3 2.1
assign (resid    3 and  name HA1 )(resid   51 and  name HG2#) 4.0 3.3 2.1
!!Tyr4 t2g3 UF=B1 
assign (resid    4 and  name HN  )(resid    4  and  name HA  ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid    4  and  name HB1 ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid    4  and  name HB2 ) 2.5 0.7 0.2
assign (resid    4 and  name HA  )(resid    4  and  name HB2 ) 4.0 2.2 1.0
assign (resid    4 and  name HA  )(resid    4  and  name HB1 ) 3.0 1.2 0.3
assign (resid    4 and  name HD# )(resid    4  and  name HN  ) 3.0 3.2 2.3
assign (resid    4 and  name HE# )(resid    4  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid    4  and  name HA  ) 4.0 4.2 3.0 
assign (resid    4 and  name HD# )(resid    4  and  name HA  ) 3.0 3.2 2.3
assign (resid    4 and  name HD# )(resid    4  and  name HB2 ) 3.0 3.2 2.3 
assign (resid    4 and  name HD# )(resid    4  and  name HB1 ) 3.0 3.2 2.3
assign (resid    4 and  name HE# )(resid    4  and  name HB2 ) 4.0 3.2 2.3
assign (resid    4 and  name HE# )(resid    4  and  name HB1 ) 4.0 3.2 2.3
assign (resid    4 and  name HA  )(resid    5  and  name HD1 ) 2.5 0.7 0.2
assign (resid    4 and  name HA  )(resid    5  and  name HD2 ) 2.5 0.7 0.2
assign (resid    4 and  name HB1 )(resid    5  and  name HD# ) 4.0 3.2 2.0
assign (resid    4 and  name HB2 )(resid    5  and  name HD# ) 4.0 3.2 2.0
assign (resid    4 and  name HB1 )(resid    5  and  name HD# ) 4.0 3.2 2.0
assign (resid    4 and  name HB1 )(resid   12  and  name HE# ) 4.0 3.2 2.0
assign (resid    4 and  name HB2 )(resid   12  and  name HE# ) 4.0 3.2 2.0
assign (resid    4 and  name HD# )(resid   12  and  name HB# ) 4.0 5.2 4.0
assign (resid    4 and  name HD# )(resid   12  and  name HG# ) 4.0 5.2 4.0
assign (resid    4 and  name HD# )(resid   12  and  name HE1 ) 4.0 3.2 3.0
assign (resid    4 and  name HD# )(resid   12  and  name HE2 ) 4.0 3.2 3.0
assign (resid    4 and  name HD# )(resid   12  and  name HE# ) 4.0 4.2 4.0
assign (resid    4 and  name HE# )(resid   36  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   36  and  name HB2 ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   36  and  name HB1 ) 4.0 4.2 3.0
assign (resid    4 and  name HD# )(resid   39  and  name HB2 ) 3.0 3.2 2.3 
assign (resid    4 and  name HD# )(resid   39  and  name HB1 ) 3.0 3.2 2.3
assign (resid    4 and  name HD# )(resid   39  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HD# )(resid   39  and  name HA  ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   39  and  name HB2 ) 3.0 3.2 2.3
assign (resid    4 and  name HE# )(resid   39  and  name HB1 ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   39  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HA  )(resid   41  and  name HA  ) 2.5 0.7 0.2
assign (resid    4 and  name HA  )(resid   41  and  name HE2 ) 4.0 2.2 1.0
assign (resid    4 and  name HA  )(resid   41  and  name HD2 ) 4.0 2.2 1.0 
assign (resid    4 and  name HN  )(resid   41  and  name HD2 ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   41  and  name HE2 ) 4.0 2.2 1.0 
assign (resid    4 and  name HD# )(resid   41  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   41  and  name HN  ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   41  and  name HD2 ) 3.0 3.2 2.3
assign (resid    4 and  name HD# )(resid   41  and  name HD2 ) 3.0 3.2 2.3
assign (resid    4 and  name HD# )(resid   41  and  name HE2 ) 4.0 4.2 3.0
assign (resid    4 and  name HE# )(resid   41  and  name HE2 ) 4.0 4.2 3.0
assign (resid    4 and  name HD# )(resid   41  and  name HA  ) 4.0 4.2 3.0 
assign (resid    4 and  name HE# )(resid   41  and  name HB# ) 4.0 6.2 5.0 
assign (resid    4 and  name HA  )(resid   42 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   51 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   51 and  name HB   ) 3.0 1.2 0.3
assign (resid    4 and  name HN  )(resid   51 and  name HG2# ) 4.0 3.3 2.1
assign (resid    4 and  name HN  )(resid   51 and  name HG1# ) 3.0 2.3 1.4
assign (resid    4 and  name HN  )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HD2 )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB1 )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HB2 )(resid   52 and  name HN   ) 3.0 1.2 0.3
assign (resid    4 and  name HB1 )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HB2 )(resid   52 and  name HB1  ) 3.0 1.2 0.3
assign (resid    4 and  name HB2 )(resid   52 and  name HB2  ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   52 and  name HN   ) 3.0 1.2 0.3
assign (resid    4 and  name HD2 )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid    4 and  name HD2 )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid    4 and  name HD2 )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid    4 and  name HE# )(resid   55 and  name HB#  ) 4.0 3.3 2.1
!!P5 
assign (resid    5 and  name HA  )(resid    5 and  name HB1 ) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid    5 and  name HB2 ) 4.0 2.2 1.0
assign (resid    5 and  name HG# )(resid    5 and  name HD1 ) 3.0 2.2 1.3
assign (resid    5 and  name HG# )(resid    5 and  name HD2 ) 3.0 2.2 1.3
assign (resid    5 and  name HA  )(resid    6 and  name HN  ) 2.5 0.7 0.2
assign (resid    5 and  name HB1 )(resid    6 and  name HN  ) 4.0 2.2 1.0
assign (resid    5 and  name HB2 )(resid    6 and  name HN  ) 3.0 1.2 0.3
assign (resid    5 and  name HB2 )(resid   13 and  name HD2#) 4.0 3.3 2.1
assign (resid    5 and  name HB1 )(resid   28 and  name HE# ) 4.0 3.2 2.0
assign (resid    5 and  name HB2 )(resid   28 and  name HE# ) 4.0 3.2 2.0
assign (resid    5 and  name HG# )(resid   28 and  name HE# ) 4.0 4.2 3.0
assign (resid    5 and  name HD1 )(resid   41 and  name HA  ) 4.0 2.2 1.0
assign (resid    5 and  name HD2 )(resid   41 and  name HA  ) 4.0 2.2 1.0
assign (resid    5 and  name HD1 )(resid   42 and  name HN  ) 4.0 2.2 1.0
assign (resid    5 and  name HD2 )(resid   42 and  name HN  ) 4.0 2.2 1.0
assign (resid    5 and  name HB1 )(resid   45 and  name HD1#) 4.0 3.3 2.1
assign (resid    5 and  name HB1 )(resid   45 and  name HD2#) 4.0 3.3 2.1
assign (resid    5 and  name HA  )(resid   51 and  name HG2#) 4.0 3.3 2.1
assign (resid    5 and  name HA  )(resid   51 and  name HG1#) 3.0 2.3 1.4
assign (resid    5 and  name HA  )(resid   52 and  name HN  ) 4.0 2.2 1.0
!!Val6 g- UF=HG2  
assign (resid    6 and  name HN  )(resid    6 and  name HA  ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid    6 and  name HB  ) 4.0 2.2 1.0
assign (resid    6 and  name HN  )(resid    6 and  name HG2#) 2.5 1.4 0.9
assign (resid    6 and  name HN  )(resid    6 and  name HG1#) 4.0 3.3 2.1
assign (resid    6 and  name HA  )(resid    6 and  name HB  ) 2.5 0.7 0.2
assign (resid    6 and  name HA  )(resid    6 and  name HG2#) 4.0 3.3 2.1
assign (resid    6 and  name HA  )(resid    6 and  name HG1#) 2.5 1.4 0.9
assign (resid    6 and  name HN  )(resid    7 and  name HN  ) 4.0 2.2 1.0 
assign (resid    6 and  name HA  )(resid    7 and  name HN  ) 2.3 0.5 0.2
assign (resid    6 and  name HB  )(resid    7 and  name HN  ) 2.3 0.5 0.2
assign (resid    6 and  name HG1#)(resid    7 and  name HN  ) 3.0 2.1 1.4
assign (resid    6 and  name HG2#)(resid    7 and  name HN  ) 3.0 2.1 1.4
assign (resid    6 and  name HA  )(resid   10 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HB  )(resid   10 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HB  )(resid   10 and  name HA1 ) 4.0 2.2 1.0
assign (resid    6 and  name HB  )(resid   10 and  name HA2 ) 4.0 2.2 1.0
assign (resid    6 and  name HG1#)(resid   10 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   10 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   10 and  name HA1 ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   10 and  name HA2 ) 4.0 3.3 2.1
assign (resid    6 and  name HA  )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HG1#)(resid   11 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   11 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HA  )(resid   12 and  name HA  ) 3.0 1.2 0.3
assign (resid    6 and  name HG1#)(resid   12 and  name HA  ) 3.0 2.1 1.4
assign (resid    6 and  name HG1#)(resid   12 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HG1#)(resid   12 and  name HG# ) 4.0 4.3 3.1
assign (resid    6 and  name HG1#)(resid   12 and  name HD# ) 4.0 4.3 3.1
assign (resid    6 and  name HA  )(resid   13 and  name HN  ) 4.0 3.2 2.0
assign (resid    6 and  name HG2#)(resid   50 and  name HB# ) 4.0 4.3 3.1
assign (resid    6 and  name HG2#)(resid   50 and  name HG1 ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   50 and  name HG2 ) 4.0 3.3 2.1
assign (resid    6 and  name HG2#)(resid   50 and  name HD# ) 4.0 4.3 3.1
assign (resid    6 and  name HN  )(resid   51 and  name HA  ) 3.0 1.2 0.3
assign (resid    6 and  name HN  )(resid   51 and  name HG1#) 3.0 2.1 1.4
assign (resid    6 and  name HG2#)(resid   51 and  name HA  ) 3.0 2.1 1.4
assign (resid    6 and  name HG1#)(resid   51 and  name HA  ) 3.0 2.1 1.4
assign (resid    6 and  name HN  )(resid   52 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HG2#)(resid   52 and  name HN  ) 4.0 3.3 2.1
assign (resid    6 and  name HG1#)(resid   52 and  name HN  ) 3.0 2.1 1.4
assign (resid    6 and  name HG1#)(resid   52 and  name HA  ) 3.0 2.1 1.4
assign (resid    6 and  name HG1#)(resid   52 and  name HB1 ) 3.0 2.1 1.4
assign (resid    6 and  name HG1#)(resid   52 and  name HB2 ) 3.0 2.1 1.4
!!D7 UF=B1 
assign (resid    7 and  name HN  )(resid    7 and  name HA  ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid    7 and  name HB1 ) 3.0 1.2 0.3
assign (resid    7 and  name HN  )(resid    7 and  name HB2 ) 4.0 2.2 1.0
assign (resid    7 and  name HA  )(resid    7 and  name HB1 ) 2.5 0.7 0.2
assign (resid    7 and  name HA  )(resid    7 and  name HB2 ) 2.5 0.7 0.2
assign (resid    7 and  name HB1 )(resid    8 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB2 )(resid    8 and  name HN  ) 2.3 0.5 0.2
assign (resid    7 and  name HA  )(resid    8 and  name HN  ) 3.0 1.2 0.3
assign (resid    7 and  name HN  )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HA  )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB1 )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB2 )(resid    9 and  name HN  ) 3.0 1.2 0.3
assign (resid    7 and  name HA  )(resid   10 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid   10 and  name HN  ) 4.0 2.2 1.0
!!S8 g2g3 DF=B1 based on HB1/K9HN
assign (resid    8 and  name HN   )(resid    8 and  name HA  ) 3.0 1.2 0.3
assign (resid    8 and  name HB1  )(resid    8 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HB2  )(resid    8 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HB1 ) 2.5 0.7 0.2
assign (resid    8 and  name HA   )(resid    8 and  name HB2 ) 2.5 0.7 0.2
assign (resid    8 and  name HA   )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    9 and  name HN  ) 3.0 1.2 0.3
assign (resid    8 and  name HB1  )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HB2  )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid   10 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HA   )(resid   10 and  name HN  ) 4.0 2.2 1.0
!!K9 
assign (resid    9 and  name HN  )(resid    9 and  name HA  ) 3.0 1.2 0.3
assign (resid    9 and  name HN  )(resid    9 and  name HB1 ) 3.0 1.2 0.3
assign (resid    9 and  name HN  )(resid    9 and  name HB2 ) 3.0 1.2 0.3
assign (resid    9 and  name HA  )(resid    9 and  name HB1 ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HB2 ) 3.0 1.2 0.3
assign (resid    9 and  name HA  )(resid    9 and  name HG1 ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HG2 ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HD# ) 4.0 3.2 2.0
assign (resid    9 and  name HN  )(resid    10 and  name HN ) 3.0 1.2 0.3
assign (resid    9 and  name HA  )(resid    10 and  name HN ) 4.0 2.2 1.0
assign (resid    9 and  name HB1 )(resid    10 and  name HN ) 4.0 2.2 1.0
assign (resid    9 and  name HB2 )(resid    10 and  name HN ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    11 and  name HN ) 4.0 2.2 1.0
!!G10 
assign (resid   10 and  name HN  )(resid   10 and  name HA1 ) 3.0 1.2 0.3
assign (resid   10 and  name HN  )(resid   10 and  name HA2 ) 3.0 1.2 0.3
assign (resid   10 and  name HA1 )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid   10 and  name HA2 )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid   11 and  name HN  ) 2.3 0.5 0.2
!!Cys11 t2g3 UF=B1
assign (resid   11 and  name HN  )(resid   11 and  name HA  ) 4.0 2.2 1.0
assign (resid   11 and  name HN  )(resid   11 and  name HB1 ) 4.0 2.2 1.0
assign (resid   11 and  name HN  )(resid   11 and  name HB2 ) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   11 and  name HB1 ) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   11 and  name HB2 ) 4.0 2.2 1.0
assign (resid   11 and  name HA  )(resid   12 and  name HN  ) 2.3 0.5 0.2
assign (resid   11 and  name HB1 )(resid   12 and  name HN  ) 3.0 1.2 0.3
assign (resid   11 and  name HB2 )(resid   12 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name HA  )(resid   59 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name CB  )(resid   59 and  name SG  ) 3.0 0.1 0.1
assign (resid   11 and  name SG  )(resid   59 and  name SG  ) 2.0 0.1 0.1
assign (resid   11 and  name SG  )(resid   59 and  name CB  ) 3.0 0.1 0.1
!!K12 08jan99 set to t2g3
assign (resid   12 and  name HN  )(resid   12 and  name HA  ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   12 and  name HB1 ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   12 and  name HB2 ) 2.5 0.7 0.2
assign (resid   12 and  name HN  )(resid   12 and  name HG# ) 4.0 3.2 2.0
assign (resid   12 and  name HA  )(resid   12 and  name HB1 ) 2.5 0.7 0.2
assign (resid   12 and  name HA  )(resid   12 and  name HB2 ) 4.0 2.2 1.0
assign (resid   12 and  name HA  )(resid   12 and  name HG# ) 4.0 3.2 2.0
assign (resid   12 and  name HG# )(resid   12 and  name HE1 ) 4.0 3.2 2.0
assign (resid   12 and  name HG# )(resid   12 and  name HE2 ) 4.0 3.2 2.0
assign (resid   12 and  name HD# )(resid   12 and  name HE1 ) 4.0 3.2 2.0
assign (resid   12 and  name HD# )(resid   12 and  name HE2 ) 4.0 3.2 2.0
assign (resid   12 and  name HA  )(resid   12 and  name HD# ) 4.0 3.2 2.0
assign (resid   12 and  name HA  )(resid   13 and  name HN  ) 2.3 0.5 0.2
assign (resid   12 and  name HN  )(resid   13 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name HB2 )(resid   13 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name HB1 )(resid   13 and  name HN  ) 3.0 1.2 0.3
!! need to add 12/39   
!!remove these 10dec98
assign (resid   12 and  name HE# )(resid   52 and  name HB1 ) 4.0 3.2 2.0
assign (resid   12 and  name HE# )(resid   52 and  name HB2 ) 4.0 3.2 2.0
!!L13 
assign (resid   13 and  name HN  )(resid   13 and  name HA  ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   13 and  name HB# ) 4.0 3.2 2.0
assign (resid   13 and  name HN  )(resid   13 and  name HG  ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   13 and  name HD# ) 4.0 4.8 3.6
assign (resid   13 and  name HA  )(resid   13 and  name HB# ) 3.0 2.2 1.3
assign (resid   13 and  name HA  )(resid   13 and  name HG  ) 4.0 2.2 1.0
assign (resid   13 and  name HA  )(resid   13 and  name HD1#) 4.0 3.3 2.1
assign (resid   13 and  name HA  )(resid   13 and  name HD2#) 4.0 3.3 2.1
assign (resid   13 and  name HA  )(resid   14 and  name HN  ) 2.3 0.5 0.2
assign (resid   13 and  name HB# )(resid   14 and  name HN  ) 4.0 3.2 2.0
assign (resid   13 and  name HN  )(resid   14 and  name HN  ) 4.0 2.2 1.0
assign (resid   13 and  name HB# )(resid   20 and  name HE# ) 3.0 4.2 3.3
assign (resid   13 and  name HG  )(resid   20 and  name HE# ) 3.0 3.2 2.3
assign (resid   13 and  name HD1#)(resid   20 and  name HE# ) 4.0 5.3 4.1
assign (resid   13 and  name HD2#)(resid   20 and  name HE# ) 3.0 2.1 1.2
assign (resid   13 and  name HD1#)(resid   28 and  name HE# ) 4.0 4.3 3.1
assign (resid   13 and  name HD2#)(resid   28 and  name HE# ) 4.0 4.3 3.1
assign (resid   13 and  name HN  )(resid   39 and  name HB1 ) 4.0 2.2 1.0
assign (resid   13 and  name HA  )(resid   40 and  name HN  ) 4.0 2.2 1.0
assign (resid   13 and  name HN  )(resid   40 and  name HN  ) 4.0 2.2 1.0
assign (resid   13 and  name HB1 )(resid   40 and  name HN  ) 4.0 2.2 1.0
assign (resid   13 and  name HD# )(resid   40 and  name HN  ) 4.0 4.8 3.6
!!S14 
assign (resid   14 and  name HN  )(resid   14 and  name HA  ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HB1 ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HB2 ) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   14 and  name HB1 ) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   14 and  name HB2 ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   15 and  name HN  ) 4.0 2.2 1.0
assign (resid   14 and  name HB1 )(resid   15 and  name HN  ) 4.0 2.2 1.0
assign (resid   14 and  name HB2 )(resid   15 and  name HN  ) 4.0 2.2 1.0
assign (resid   14 and  name HA  )(resid   15 and  name HN  ) 2.3 0.5 0.2
assign (resid   14 and  name HA  )(resid   39 and  name HA  ) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   40 and  name HN  ) 4.0 2.2 1.0
!!Cys15 g2g3 UF=B2
assign (resid   15 and  name HN  )(resid   15 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HN  )(resid   15 and  name HB1 ) 3.0 1.2 0.3
assign (resid   15 and  name HN  )(resid   15 and  name HB2 ) 4.0 2.2 1.0
assign (resid   15 and  name HA  )(resid   15 and  name HB1 ) 3.0 1.2 0.3
assign (resid   15 and  name HA  )(resid   15 and  name HB2 ) 3.0 1.2 0.3
assign (resid   15 and  name HN  )(resid   16 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HA  )(resid   16 and  name HN  ) 2.5 0.7 0.2
assign (resid   15 and  name HB1 )(resid   16 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HB2 )(resid   16 and  name HN  ) 3.0 1.2 0.3
assign (resid   15 and  name HA  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HB2 )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   15 and  name HA  )(resid   20 and  name HD# ) 3.0 3.2 2.3
assign (resid   15 and  name HA  )(resid   20 and  name HE# ) 4.0 4.2 3.0
assign (resid   15 and  name HB# )(resid   20 and  name HD# ) 3.0 4.2 3.5
assign (resid   15 and  name HB# )(resid   20 and  name HE# ) 4.0 5.2 4.0
assign (resid   15 and  name CB  )(resid   35 and  name SG  ) 3.0 0.1 0.1
assign (resid   15 and  name SG  )(resid   35 and  name SG  ) 2.0 0.1 0.1
assign (resid   15 and  name SG  )(resid   35 and  name CB  ) 3.0 0.1 0.1
assign (resid   15 and  name HN  )(resid   39 and  name HA  ) 3.0 1.2 0.3
assign (resid   15 and  name HN  )(resid   40 and  name HN  ) 4.0 2.2 1.0
!!V16 t UF=HG1
assign (resid   16 and  name HN  )(resid   16 and  name HA  ) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   16 and  name HB  ) 4.0 2.2 1.0
assign (resid   16 and  name HG1#)(resid   16 and  name HN  ) 2.5 1.4 0.9
assign (resid   16 and  name HG2#)(resid   16 and  name HN  ) 4.0 3.3 2.1
assign (resid   16 and  name HG2#)(resid   16 and  name HA  ) 2.5 1.4 0.9
assign (resid   16 and  name HG1#)(resid   16 and  name HA  ) 4.0 3.3 2.1
assign (resid   16 and  name HB  )(resid   16 and  name HA  ) 2.5 0.7 0.2
assign (resid   16 and  name HN  )(resid   17 and  name HN  ) 2.3 0.5 0.2
assign (resid   16 and  name HA  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HB  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HG1#)(resid   17 and  name HN  ) 3.0 2.1 1.4
assign (resid   16 and  name HG2#)(resid   17 and  name HN  ) 4.0 3.2 2.0
assign (resid   16 and  name HA  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   20 and  name HD# ) 4.0 4.2 3.0
assign (resid   16 and  name HN  )(resid   20 and  name HE# ) 4.0 4.2 3.0
!!A17 
assign (resid   17 and  name HN  )(resid   17 and  name HA  ) 4.0 2.2 1.0
assign (resid   17 and  name HN  )(resid   17 and  name HB# ) 2.5 1.4 0.9
assign (resid   17 and  name HN  )(resid   18 and  name HN  ) 4.0 2.2 1.0
assign (resid   17 and  name HA  )(resid   18 and  name HN  ) 2.3 0.5 0.2
assign (resid   17 and  name HB# )(resid   18 and  name HN  ) 3.0 2.1 1.4
assign (resid   17 and  name HA  )(resid   19 and  name HN  ) 4.0 2.2 1.0
assign (resid   17 and  name HB# )(resid   19 and  name HN  ) 3.0 2.1 1.4
assign (resid   17 and  name HB# )(resid   20 and  name HN  ) 3.0 2.1 1.4
assign (resid   17 and  name HB# )(resid   20 and  name HD# ) 4.0 5.3 4.1
assign (resid   17 and  name HB# )(resid   20 and  name HE# ) 4.0 5.3 4.1
assign (resid   17 and  name HN  )(resid   20 and  name HB1 ) 4.0 2.2 1.0
assign (resid   17 and  name HB# )(resid   20 and  name HB1 ) 4.0 3.3 2.1
assign (resid   17 and  name HB# )(resid   20 and  name HB2 ) 4.0 3.3 2.1
!!N18 t2g3 DF=B1
assign (resid   18 and  name HN  )(resid   18 and  name HA  ) 3.0 1.2 0.3
assign (resid   18 and  name HN  )(resid   18 and  name HB2 ) 3.0 1.2 0.3
assign (resid   18 and  name HN  )(resid   18 and  name HB1 ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   18 and  name HB1 ) 3.0 1.2 0.3
assign (resid   18 and  name HA  )(resid   18 and  name HB2 ) 4.0 2.2 1.0
assign (resid   18 and  name HB1 )(resid   18 and  name HD21) 3.0 1.2 0.3
assign (resid   18 and  name HB1 )(resid   18 and  name HD22) 4.0 2.2 1.0
assign (resid   18 and  name HB2 )(resid   18 and  name HD21) 2.5 0.7 0.2
assign (resid   18 and  name HB2 )(resid   18 and  name HD22) 4.0 2.2 1.0
assign (resid   18 and  name HN  )(resid   19 and  name HN  ) 3.0 1.2 0.3
assign (resid   18 and  name HA  )(resid   19 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HB1 )(resid   19 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   21 and  name HB1 ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   21 and  name HB2 ) 4.0 2.2 1.0
assign (resid   18 and  name HB1 )(resid   34 and  name HA  ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   34 and  name HA  ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   35 and  name HN  ) 2.5 0.7 0.2
!! make this very weak 24apr98 for d8h
assign (resid   18 and  name HN  )(resid   35 and  name HN  ) 5.0 2.2 1.0
assign (resid   18 and  name HB1 )(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   35 and  name HB1 ) 4.0 2.2 1.0
assign (resid   18 and  name HA  )(resid   35 and  name HB2 ) 4.0 2.2 1.0
!!N19 g2g3 UF=B2
assign (resid   19 and  name HN  )(resid   19 and  name HA  ) 3.0 1.2 0.3
assign (resid   19 and  name HN  )(resid   19 and  name HB1 ) 3.0 1.2 0.3
assign (resid   19 and  name HN  )(resid   19 and  name HB2 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   19 and  name HB1 ) 2.5 0.7 0.2
assign (resid   19 and  name HA  )(resid   19 and  name HB2 ) 2.5 0.7 0.2
assign (resid   19 and  name HB1 )(resid   19 and  name HD21) 3.0 1.2 0.3
assign (resid   19 and  name HB1 )(resid   19 and  name HD22) 4.0 2.2 1.0
assign (resid   19 and  name HB2 )(resid   19 and  name HD21) 3.0 1.2 0.3
assign (resid   19 and  name HB2 )(resid   19 and  name HD22) 4.0 2.2 1.0
assign (resid   19 and  name HB1 )(resid   20 and  name HN ) 4.0 2.2 1.0
assign (resid   19 and  name HB2 )(resid   20 and  name HN ) 4.0 2.2 1.0
assign (resid   19 and  name HN  )(resid   20 and  name HN ) 3.0 1.2 0.3
assign (resid   19 and  name HA  )(resid   20 and  name HN ) 4.0 2.2 1.0
assign (resid   19 and  name HN  )(resid   21 and  name HN ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   22 and  name HN ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   22 and  name HB1) 3.0 1.2 0.3
assign (resid   19 and  name HA  )(resid   22 and  name HB2) 3.0 1.2 0.3
assign (resid   19 and  name HA  )(resid   23 and  name HN ) 4.0 2.2 1.0
!!Y20 g2t3 UF=B1
assign (resid   20 and  name HN   )(resid   20 and  name HA  ) 4.0 2.2 1.0
assign (resid   20 and  name HB1  )(resid   20 and  name HN  ) 2.5 0.7 0.2
assign (resid   20 and  name HB2  )(resid   20 and  name HN  ) 3.0 1.2 0.3
assign (resid   20 and  name HB1  )(resid   20 and  name HA  ) 4.0 2.2 1.0
assign (resid   20 and  name HB2  )(resid   20 and  name HA  ) 3.0 1.2 0.3
assign (resid   20 and  name HB2  )(resid   20 and  name HD# ) 3.0 1.2 2.5
assign (resid   20 and  name HB1  )(resid   20 and  name HD# ) 3.0 3.2 2.3
assign (resid   20 and  name HA   )(resid   20 and  name HD# ) 3.0 3.2 2.3
assign (resid   20 and  name HB2  )(resid   20 and  name HE# ) 4.0 4.2 3.0
assign (resid   20 and  name HB1  )(resid   20 and  name HE# ) 4.0 4.2 3.0
assign (resid   20 and  name HA   )(resid   20 and  name HE# ) 4.0 4.2 3.0
assign (resid   20 and  name HD#  )(resid   21 and  name HB1 ) 4.0 4.2 3.0
assign (resid   20 and  name HD#  )(resid   21 and  name HB2 ) 4.0 4.2 3.0
assign (resid   20 and  name HB1  )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HB2  )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   21 and  name HN  ) 3.0 1.2 0.3
assign (resid   20 and  name HA   )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   24 and  name HN  ) 4.0 2.2 1.0
!!C21 15apr98 set to g2t3 UF=B1
!! 05jan set to t2g3
assign (resid   21 and  name HN  )(resid   21 and  name HA  ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   21 and  name HB1 ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   21 and  name HB2 ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   21 and  name HB1 ) 2.5 0.7 0.2
assign (resid   21 and  name HA  )(resid   21 and  name HB2 ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   22 and  name HN  ) 3.0 1.2 0.3
assign (resid   21 and  name HA  )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB1 )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB2 )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   24 and  name HB# ) 4.0 3.2 2.0
assign (resid   21 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB1 )(resid   34 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB2 )(resid   34 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB1 )(resid   34 and  name HA  ) 4.0 2.2 1.0
assign (resid   21 and  name HB2 )(resid   34 and  name HA  ) 4.0 2.2 1.0
assign (resid   21 and  name HB1 )(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   40 and  name HB2 ) 4.0 2.2 1.0
assign (resid   21 and  name CB  )(resid   40 and  name SG  ) 3.0 0.1 0.1
assign (resid   21 and  name SG  )(resid   40 and  name SG  ) 2.0 0.1 0.1
assign (resid   21 and  name SG  )(resid   40 and  name CB  ) 3.0 0.1 0.1
!!D22  g2t3 UF=B1
assign (resid   22 and  name HN  )(resid   22 and  name HA  ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   22 and  name HB1 ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   22 and  name HB2 ) 3.0 1.2 0.3
assign (resid   22 and  name HA  )(resid   22 and  name HB1 ) 4.0 2.2 1.0
assign (resid   22 and  name HA  )(resid   22 and  name HB2 ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   23 and  name HN  ) 3.0 1.2 0.3
assign (resid   22 and  name HA  )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HB1 )(resid   23 and  name HN  ) 2.5 0.7 0.2
assign (resid   22 and  name HB2 )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   34 and  name HA  ) 4.0 2.2 1.0
!!N23  g2t3 13may99 DF=B2
assign (resid   23 and  name HN  )(resid   23 and  name HA  ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   24 and  name HN  ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HB1 )(resid   24 and  name HN  ) 3.0 1.2 0.3
assign (resid   23 and  name HB2 )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
!!Q24 g2t3
assign (resid   24 and  name HN  )(resid   24 and  name HA  ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   24 and  name HB1 ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   24 and  name HB2 ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   24 and  name HG1 ) 4.0 2.2 1.0
assign (resid   24 and  name HN  )(resid   24 and  name HG2 ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   24 and  name HB1 ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   24 and  name HB2 ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   24 and  name HG1 ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   24 and  name HG2 ) 4.0 2.2 1.0
assign (resid   24 and  name HG# )(resid   24 and  name HE22) 4.0 2.2 1.0
assign (resid   24 and  name HG# )(resid   24 and  name HE21) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   25 and  name HN  ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HB# )(resid   25 and  name HN  ) 3.0 2.2 1.3
assign (resid   24 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HB1 ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HB2 ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HG# ) 4.0 3.2 2.0
assign (resid   24 and  name HA  )(resid   27 and  name HE# ) 3.0 2.1 1.4
assign (resid   24 and  name HE21)(resid   27 and  name HE# ) 4.0 3.3 2.1
assign (resid   24 and  name HE22)(resid   27 and  name HE# ) 3.0 2.1 1.4
!!C25 t2g3 UF=B1
assign (resid   25 and  name HN  )(resid   25 and  name HA  ) 3.0 1.2 0.3
assign (resid   25 and  name HN  )(resid   25 and  name HB1 ) 4.0 2.2 1.0
assign (resid   25 and  name HN  )(resid   25 and  name HB2 ) 3.0 1.2 0.3
assign (resid   25 and  name HA  )(resid   25 and  name HB1 ) 3.0 1.2 0.3
assign (resid   25 and  name HA  )(resid   25 and  name HB2 ) 4.0 2.2 1.0
assign (resid   25 and  name HB1 )(resid   26 and  name HN  ) 3.0 1.2 0.3
assign (resid   25 and  name HB2 )(resid   26 and  name HN  ) 3.0 1.2 0.3
assign (resid   25 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HN  )(resid   26 and  name HN  ) 3.0 1.2 0.3
assign (resid   25 and  name HN  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HB1 ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HB2 ) 3.0 1.2 0.3
assign (resid   25 and  name HA  )(resid   30 and  name HB# ) 4.0 3.3 2.1
assign (resid   25 and  name HB1 )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HB1 )(resid   30 and  name HB# ) 2.5 1.4 0.9
assign (resid   25 and  name HB2 )(resid   30 and  name HB# ) 3.0 2.1 1.4
assign (resid   25 and  name HB1 )(resid   31 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HB1 )(resid   32 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name CB  )(resid   42 and  name SG  ) 3.0 0.1 0.1
assign (resid   25 and  name SG  )(resid   42 and  name SG  ) 2.0 0.1 0.1
assign (resid   25 and  name SG  )(resid   42 and  name CB  ) 3.0 0.1 0.1
!!K26
assign (resid   26 and  name HN  )(resid   26 and  name HA  ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   26 and  name HB2 ) 2.5 0.7 0.2
assign (resid   26 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HG1 ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   26 and  name HG2 ) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   27 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HB1 )(resid   27 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HB2 )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HN  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   29 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   30 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   30 and  name HB# ) 4.0 3.3 2.1
!!M27 (code #48) 10feb99 t2g3
assign (resid   27 and  name HN  )(resid   27 and  name HA  ) 3.0 1.2 0.3
assign (resid   27 and  name HN  )(resid   27 and  name HB1 ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   27 and  name HB2 ) 3.0 1.2 0.3
assign (resid   27 and  name HN  )(resid   27 and  name HG1 ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   27 and  name HG2 ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   27 and  name HB1 ) 3.0 1.2 0.3
assign (resid   27 and  name HA  )(resid   27 and  name HB2 ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   27 and  name HG1 ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   27 and  name HG2 ) 4.0 2.2 1.0
assign (resid   27 and  name HB2 )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HA  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HN  )(resid   28 and  name HN  ) 3.0 1.2 0.3
assign (resid   27 and  name HN  )(resid   29 and  name HN  ) 4.0 2.2 1.0
!!K28 
assign (resid   28 and  name HN  )(resid   28 and  name HA  ) 4.0 2.2 1.0
assign (resid   28 and  name HN  )(resid   28 and  name HB1 ) 4.0 2.2 1.0
assign (resid   28 and  name HN  )(resid   28 and  name HB2 ) 2.5 0.7 0.2
assign (resid   28 and  name HA  )(resid   28 and  name HB1 ) 2.5 0.7 0.2
assign (resid   28 and  name HA  )(resid   28 and  name HB2 ) 4.0 2.2 1.0
assign (resid   28 and  name HA  )(resid   28 and  name HG# ) 3.0 2.2 1.3
assign (resid   28 and  name HA  )(resid   29 and  name HN  ) 4.0 2.2 1.0
assign (resid   28 and  name HN  )(resid   29 and  name HN  ) 3.0 1.2 0.3
assign (resid   28 and  name HN  )(resid   30 and  name HN  ) 4.0 2.2 1.0
!!K29 
assign (resid   29 and  name HN  )(resid   29 and  name HA  ) 2.3 0.5 0.2
assign (resid   29 and  name HN  )(resid   29 and  name HB1 ) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   29 and  name HB2 ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   29 and  name HG1 ) 4.0 2.2 1.0
assign (resid   29 and  name HN  )(resid   29 and  name HG2 ) 4.0 2.2 1.0
assign (resid   29 and  name HA  )(resid   29 and  name HB1 ) 4.0 2.2 1.0
assign (resid   29 and  name HA  )(resid   29 and  name HB2 ) 3.0 1.2 0.3
assign (resid   29 and  name HA  )(resid   29 and  name HG1 ) 4.0 2.2 1.0
assign (resid   29 and  name HA  )(resid   29 and  name HG2 ) 4.0 2.2 1.0
assign (resid   29 and  name HB1 )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   29 and  name HA  )(resid   30 and  name HN  ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   30 and  name HN  ) 3.0 1.2 0.3
!!A30
assign (resid   30 and  name HA  )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   30 and  name HB# )(resid   30 and  name HN  ) 2.5 1.7 1.2
assign (resid   30 and  name HN  )(resid   31 and  name HN  ) 4.0 2.2 1.0
assign (resid   30 and  name HA  )(resid   31 and  name HN  ) 2.5 0.7 0.2
assign (resid   30 and  name HB# )(resid   31 and  name HN  ) 2.5 1.4 0.9
assign (resid   30 and  name HA  )(resid   32 and  name HN  ) 4.0 2.2 1.0
assign (resid   30 and  name HB# )(resid   32 and  name HN  ) 3.0 2.1 1.4
assign (resid   30 and  name HB# )(resid   42 and  name HA  ) 4.0 3.3 2.1
assign (resid   30 and  name HB# )(resid   42 and  name HB1 ) 2.5 1.4 0.9
assign (resid   30 and  name HB# )(resid   42 and  name HB2 ) 2.5 1.4 0.9
assign (resid   30 and  name HB# )(resid   43 and  name HN  ) 4.0 3.3 2.1
assign (resid   30 and  name HB# )(resid   44 and  name HN  ) 4.0 3.3 2.1
assign (resid   30 and  name HN  )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HA  )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   30 and  name HN  )(resid   45 and  name HD# ) 4.0 4.8 3.6
assign (resid   30 and  name HB# )(resid   45 and  name HD1#) 4.0 4.4 3.2
assign (resid   30 and  name HB# )(resid   45 and  name HD2#) 4.0 4.4 3.2
assign (resid   30 and  name HA  )(resid   46 and  name HD# ) 4.0 3.2 2.0
!!S31
assign (resid   31 and  name HN  )(resid   31 and  name HA  ) 3.0 1.2 0.3
assign (resid   31 and  name HN  )(resid   31 and  name HB# ) 4.0 3.2 2.0
assign (resid   31 and  name HN  )(resid   32 and  name HN  ) 2.5 0.7 0.2
assign (resid   31 and  name HA  )(resid   32 and  name HN  ) 4.0 2.2 1.0
assign (resid   31 and  name HB# )(resid   32 and  name HN  ) 3.0 2.2 1.3
!!assign (resid   31 and  name HA  )(resid   33 and  name HN  ) 4.0 2.2 1.0
!!assign (resid   31 and  name HN  )(resid   42 and  name HB1 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   44 and  name HA1 ) 4.0 2.2 1.0
assign (resid   31 and  name HN  )(resid   44 and  name HA1 ) 4.0 2.2 1.0
!!G32
assign (resid   32 and  name HA1 )(resid   32 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HA2 )(resid   32 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HA1 )(resid   33 and  name HN  ) 4.0 2.2 1.0
assign (resid   32 and  name HA2 )(resid   33 and  name HN  ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   42 and  name HB1 ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   43 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   43 and  name HB1 ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   43 and  name HB2 ) 4.0 2.2 1.0
assign (resid   32 and  name HN  )(resid   44 and  name HN  ) 4.0 2.2 1.0
!!G33 
assign (resid   33 and  name HN  )(resid   33 and  name HA1 ) 4.0 2.2 1.0
assign (resid   33 and  name HN  )(resid   33 and  name HA2 ) 4.0 2.2 1.0
assign (resid   33 and  name HA1 )(resid   34 and  name HN  ) 3.0 1.2 0.3
assign (resid   33 and  name HA2 )(resid   34 and  name HN  ) 3.0 1.2 0.3
assign (resid   33 and  name HA1 )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   33 and  name HA2 )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   33 and  name HA# )(resid   43 and  name HN  ) 4.0 3.2 2.0
!!H34 
assign (resid   34 and  name HN  )(resid   34 and  name HA  ) 4.0 2.2 1.0
assign (resid   34 and  name HN  )(resid   34 and  name HB2 ) 4.0 2.2 1.0
assign (resid   34 and  name HN  )(resid   34 and  name HB1 ) 3.0 1.2 0.3
assign (resid   34 and  name HA  )(resid   34 and  name HB1 ) 2.5 0.7 0.2
assign (resid   34 and  name HA  )(resid   34 and  name HB2 ) 2.5 0.7 0.2
assign (resid   34 and  name HN  )(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   34 and  name HA  )(resid   35 and  name HN  ) 2.5 0.7 0.2
assign (resid   34 and  name HB1 )(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   34 and  name HB2 )(resid   35 and  name HN  ) 4.0 2.2 1.0
!!assign (resid   34 and  name HB1 )(resid   36 and  name HE# ) 4.0 4.2 3.0
!!assign (resid   34 and  name HB2 )(resid   36 and  name HE# ) 4.0 4.2 3.0
assign (resid   34 and  name HN  )(resid   41 and  name HN  ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   41 and  name HB# ) 4.0 3.2 2.0
assign (resid   34 and  name HE1 )(resid   41 and  name HD1 ) 3.0 1.2 0.3
assign (resid   34 and  name HN  )(resid   42 and  name HA  ) 4.0 2.2 1.0
!!C35  g2t3 UF=B1
assign (resid   35 and  name HN  )(resid   35 and  name HA  ) 4.0 2.2 1.0
assign (resid   35 and  name HN  )(resid   35 and  name HB1 ) 3.0 1.2 0.3
assign (resid   35 and  name HN  )(resid   35 and  name HB2 ) 3.0 1.2 0.3
assign (resid   35 and  name HA  )(resid   35 and  name HB1 ) 4.0 2.2 1.0
assign (resid   35 and  name HA  )(resid   35 and  name HB2 ) 4.0 2.2 1.0
assign (resid   35 and  name HN  )(resid   36 and  name HN  ) 4.0 2.2 1.0 
assign (resid   35 and  name HA  )(resid   36 and  name HN  ) 2.5 0.7 0.2
assign (resid   35 and  name HN  )(resid   36 and  name HD# ) 4.0 4.2 3.0
assign (resid   35 and  name HA  )(resid   39 and  name HN  ) 4.0 2.2 1.0
assign (resid   35 and  name HA  )(resid   40 and  name HA  ) 3.0 1.2 0.3
assign (resid   35 and  name HA  )(resid   40 and  name HB2 ) 4.0 2.2 1.0
assign (resid   35 and  name HA  )(resid   41 and  name HN  ) 4.0 2.2 1.0
!!Y36  g2t3 UF=B1
!! 06jan99 set to t2g3
assign (resid   36 and  name HN  )(resid   36 and  name HA  ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   36 and  name HB1 ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   36 and  name HB2 ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   36 and  name HB2 ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   36 and  name HB1 ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   36 and  name HD# ) 4.0 4.2 3.0
assign (resid   36 and  name HA  )(resid   36 and  name HD# ) 2.5 2.7 2.2
assign (resid   36 and  name HB1 )(resid   36 and  name HD# ) 2.5 2.7 2.2
assign (resid   36 and  name HB2 )(resid   36 and  name HD# ) 2.5 2.7 2.2
assign (resid   36 and  name HA  )(resid   37 and  name HN  ) 2.3 0.5 0.2
assign (resid   36 and  name HB1 )(resid   37 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HB2 )(resid   37 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HD# )(resid   37 and  name HB# ) 4.0 5.3 4.1
assign (resid   36 and  name HE# )(resid   37 and  name HB# ) 4.0 5.3 4.1
assign (resid   36 and  name HD# )(resid   37 and  name HN  ) 3.0 3.2 2.3
assign (resid   36 and  name HN  )(resid   38 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   38 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   39 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   39 and  name HN  ) 3.0 1.2 0.3
assign (resid   36 and  name HN  )(resid   40 and  name HA  ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   41 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   41 and  name HB# ) 4.0 3.2 2.0
assign (resid   36 and  name HB# )(resid   41 and  name HB# ) 4.0 4.2 3.0
assign (resid   36 and  name HD# )(resid   41 and  name HB# ) 4.0 5.2 4.0
assign (resid   36 and  name HD# )(resid   41 and  name HD# ) 4.0 6.2 5.0
assign (resid   36 and  name HE# )(resid   41 and  name HD# ) 4.0 6.2 5.0
!!A37 
assign (resid   37 and  name HN  )(resid   37 and  name HA  ) 2.3 0.5 0.2
assign (resid   37 and  name HN  )(resid   37 and  name HB# ) 3.0 2.1 1.4
assign (resid   37 and  name HN  )(resid   38 and  name HN  ) 4.0 2.2 1.0
assign (resid   37 and  name HA  )(resid   38 and  name HN  ) 4.0 2.2 1.0
assign (resid   37 and  name HB# )(resid   38 and  name HN  ) 4.0 3.3 2.1
assign (resid   37 and  name HN  )(resid   39 and  name HN  ) 4.0 2.2 1.0
assign (resid   37 and  name HB# )(resid   39 and  name HN  ) 4.0 3.3 2.1
!!M38 
assign (resid   38 and  name HN  )(resid   38 and  name HA ) 3.0 1.2 0.3
assign (resid   38 and  name HN  )(resid   38 and  name HB1) 4.0 2.2 1.0
assign (resid   38 and  name HN  )(resid   38 and  name HB2) 4.0 2.2 1.0
assign (resid   38 and  name HA  )(resid   38 and  name HB1) 4.0 2.2 1.0
assign (resid   38 and  name HA  )(resid   38 and  name HB2) 4.0 2.2 1.0
assign (resid   38 and  name HA  )(resid   39 and  name HN ) 4.0 2.2 1.0
assign (resid   38 and  name HN  )(resid   39 and  name HN ) 3.0 1.2 0.3
assign (resid   38 and  name HB# )(resid   39 and  name HN ) 4.0 3.2 2.0
!!S39 t2g3 DF=B1 
assign (resid   39 and  name HN  )(resid   39 and  name HA  ) 4.0 2.2 1.0
assign (resid   39 and  name HN  )(resid   39 and  name HB1 ) 4.0 2.2 1.0
assign (resid   39 and  name HN  )(resid   39 and  name HB2 ) 3.0 1.2 0.3
assign (resid   39 and  name HA  )(resid   39 and  name HB2 ) 4.0 2.2 1.0
assign (resid   39 and  name HA  )(resid   39 and  name HB1 ) 3.0 1.2 0.3
assign (resid   39 and  name HA  )(resid   40 and  name HN  ) 2.3 0.5 0.2
assign (resid   39 and  name HB1 )(resid   40 and  name HN  ) 3.0 1.2 0.3
assign (resid   39 and  name HB2 )(resid   40 and  name HN  ) 4.0 2.2 1.0
!!C40 g2t3 DF=B1 
assign (resid   40 and  name HN  )(resid   40 and  name HA  ) 4.0 2.2 1.0
assign (resid   40 and  name HN  )(resid   40 and  name HB1 ) 3.0 1.2 0.3
assign (resid   40 and  name HN  )(resid   40 and  name HB2 ) 3.0 1.2 0.3
assign (resid   40 and  name HA  )(resid   40 and  name HB1 ) 4.0 2.2 1.0
assign (resid   40 and  name HA  )(resid   40 and  name HB2 ) 3.0 1.2 0.3
assign (resid   40 and  name HA  )(resid   41 and  name HN  ) 2.3 0.5 0.2
assign (resid   40 and  name HN  )(resid   41 and  name HN  ) 4.0 2.2 1.0
assign (resid   40 and  name HB2 )(resid   41 and  name HN  ) 4.0 2.2 1.0
!!Y41 g2t3 UF=B1 by alpha/N 
assign (resid   41 and  name HN  )(resid   41 and  name HA  ) 4.0 2.2 1.0
assign (resid   41 and  name HN  )(resid   41 and  name HB1 ) 3.0 1.2 0.3
assign (resid   41 and  name HN  )(resid   41 and  name HB2 ) 3.0 1.2 0.3
assign (resid   41 and  name HA  )(resid   41 and  name HB1 ) 4.0 2.2 1.0
assign (resid   41 and  name HA  )(resid   41 and  name HB2 ) 3.0 1.2 0.3
assign (resid   41 and  name HN  )(resid   41 and  name HD# ) 4.0 4.2 3.0
assign (resid   41 and  name HB1 )(resid   41 and  name HD# ) 3.0 3.2 2.3
assign (resid   41 and  name HB2 )(resid   41 and  name HD# ) 3.0 3.2 2.3
assign (resid   41 and  name HA  )(resid   41 and  name HD# ) 3.0 3.2 2.3
assign (resid   41 and  name HA  )(resid   42 and  name HN  ) 2.3 0.5 0.2
assign (resid   41 and  name HB# )(resid   42 and  name HN  ) 4.0 3.2 2.0 
assign (resid   41 and  name HD# )(resid   42 and  name HN  ) 3.0 3.2 2.3
assign (resid   41 and  name HE# )(resid   42 and  name HN  ) 4.0 4.2 3.0
!!C42 t2g3 DF=B1 
assign (resid   42 and  name HN  )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   42 and  name HN  )(resid   42 and  name HB1 ) 4.0 2.2 1.0
assign (resid   42 and  name HN  )(resid   42 and  name HB2 ) 3.0 1.2 0.3
assign (resid   42 and  name HA  )(resid   42 and  name HB2 ) 4.0 2.2 1.0
assign (resid   42 and  name HN  )(resid   43 and  name HN  ) 4.0 2.2 1.0
assign (resid   42 and  name HA  )(resid   43 and  name HN  ) 2.3 0.5 0.2
assign (resid   42 and  name HB1 )(resid   43 and  name HN  ) 3.0 1.2 0.3
assign (resid   42 and  name HB2 )(resid   43 and  name HN  ) 4.0 2.2 1.0
assign (resid   42 and  name HB1 )(resid   45 and  name HD1#) 4.0 3.3 2.1
assign (resid   42 and  name HB1 )(resid   45 and  name HD2#) 4.0 3.3 2.1
assign (resid   42 and  name HB2 )(resid   45 and  name HD1#) 4.0 3.3 2.1
assign (resid   42 and  name HB2 )(resid   45 and  name HD2#) 4.0 3.3 2.1
!!E43 
assign (resid   43 and  name HN  )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid   43 and  name HB1 ) 3.0 1.2 0.3
assign (resid   43 and  name HN  )(resid   43 and  name HB2 ) 3.0 1.2 0.3
assign (resid   43 and  name HN  )(resid   43 and  name HG# ) 4.0 3.2 2.0
assign (resid   43 and  name HA  )(resid   43 and  name HB1 ) 4.0 2.2 1.0
assign (resid   43 and  name HA  )(resid   43 and  name HB2 ) 3.0 1.2 0.3
assign (resid   43 and  name HN  )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid   43 and  name HA  )(resid   44 and  name HN  ) 2.3 0.5 0.2
assign (resid   43 and  name HB1 )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid   43 and  name HB2 )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid   43 and  name HA  )(resid   45 and  name HN  ) 4.0 2.2 1.0
!!G44 
assign (resid   44 and  name HN  )(resid   44 and  name HA1) 3.0 1.2 0.3
assign (resid   44 and  name HN  )(resid   44 and  name HA2) 3.0 1.2 0.3
assign (resid   44 and  name HA1 )(resid   45 and  name HN ) 4.0 2.2 1.0
assign (resid   44 and  name HA2 )(resid   45 and  name HN ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   45 and  name HN ) 3.0 1.2 0.3
!!L45 
assign (resid   45 and  name HN  )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   45 and  name HN  )(resid   45 and  name HB1 ) 4.0 2.2 1.0
assign (resid   45 and  name HN  )(resid   45 and  name HB2 ) 2.3 0.5 0.2
assign (resid   45 and  name HN  )(resid   45 and  name HG  ) 3.0 1.2 0.3
assign (resid   45 and  name HN  )(resid   45 and  name HD1#) 3.0 2.1 1.2
assign (resid   45 and  name HN  )(resid   45 and  name HD2#) 4.0 3.3 2.1
assign (resid   45 and  name HA  )(resid   45 and  name HB1 ) 3.0 1.2 0.3
assign (resid   45 and  name HA  )(resid   45 and  name HB2 ) 4.0 2.2 1.0
assign (resid   45 and  name HA  )(resid   45 and  name HG  ) 4.0 2.2 1.0
assign (resid   45 and  name HA  )(resid   45 and  name HD1#) 4.0 3.3 2.1
assign (resid   45 and  name HA  )(resid   45 and  name HD2#) 2.3 1.4 0.9
assign (resid   45 and  name HA  )(resid   46 and  name HD1 ) 3.0 1.2 0.3
assign (resid   45 and  name HA  )(resid   46 and  name HD2 ) 3.0 1.2 0.3
assign (resid   45 and  name HG  )(resid   46 and  name HD1 ) 4.0 3.2 2.0
assign (resid   45 and  name HG  )(resid   46 and  name HD2 ) 4.0 3.2 2.0
assign (resid   45 and  name HD2#)(resid   46 and  name HD1 ) 3.0 2.1 1.2   
assign (resid   45 and  name HD2#)(resid   46 and  name HD2 ) 3.0 2.1 1.2
assign (resid   45 and  name HN  )(resid   46 and  name HD1 ) 4.0 2.2 1.0
assign (resid   45 and  name HN  )(resid   46 and  name HD2 ) 4.0 2.2 1.0
!!P46
assign (resid   46 and  name HA   )(resid   46 and  name HB1 ) 3.0 1.2 0.3
assign (resid   46 and  name HA   )(resid   46 and  name HB2 ) 3.0 1.2 0.3
assign (resid   46 and  name HA   )(resid   46 and  name HG# ) 4.0 3.2 2.0
assign (resid   46 and  name HB1  )(resid   46 and  name HD1 ) 4.0 2.2 1.0
assign (resid   46 and  name HB1  )(resid   46 and  name HD2 ) 4.0 2.2 1.0
assign (resid   46 and  name HB2  )(resid   46 and  name HD1 ) 4.0 2.2 1.0
assign (resid   46 and  name HB2  )(resid   46 and  name HD2 ) 4.0 2.2 1.0
assign (resid   46 and  name HG#  )(resid   46 and  name HD1 ) 3.0 2.2 1.3
assign (resid   46 and  name HG#  )(resid   46 and  name HD2 ) 3.0 2.2 1.3
assign (resid   46 and  name HA   )(resid   47 and  name HN  ) 2.5 0.7 0.2
assign (resid   46 and  name HB1  )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HB2  )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HG#  )(resid   47 and  name HN  ) 4.0 3.2 2.0
assign (resid   46 and  name HA   )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HB1  )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HB2  )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HG#  )(resid   48 and  name HN  ) 4.0 3.2 2.0
assign (resid   46 and  name HB1  )(resid   49 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HB2  )(resid   49 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HG#  )(resid   49 and  name HN  ) 4.0 3.2 2.0
!!E47 
assign (resid   47 and  name HN  )(resid   47 and  name HA  ) 3.0 1.2 0.3
assign (resid   47 and  name HN  )(resid   47 and  name HB1 ) 3.0 1.2 0.3
assign (resid   47 and  name HN  )(resid   47 and  name HB2 ) 3.0 1.2 0.3
assign (resid   47 and  name HN  )(resid   47 and  name HG# ) 3.0 2.2 1.3
assign (resid   47 and  name HA  )(resid   47 and  name HB1 ) 4.0 2.2 1.0
assign (resid   47 and  name HA  )(resid   47 and  name HB2 ) 3.0 1.2 0.3
assign (resid   47 and  name HB1 )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   47 and  name HB2 )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   47 and  name HG# )(resid   48 and  name HN  ) 4.0 3.2 2.0
assign (resid   47 and  name HN  )(resid   48 and  name HN  ) 3.0 1.2 0.3
assign (resid   47 and  name HA  )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid   47 and  name HN  )(resid   49 and  name HN  ) 4.0 2.2 1.0
assign (resid   47 and  name HA  )(resid   49 and  name HN  ) 4.0 2.2 1.0
!!N48 
assign (resid   48 and  name HN  )(resid   48 and  name HA  ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   48 and  name HB1 ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   48 and  name HB2 ) 4.0 2.2 1.0
assign (resid   48 and  name HA  )(resid   48 and  name HB1 ) 2.5 0.7 0.2
assign (resid   48 and  name HA  )(resid   48 and  name HB2 ) 2.5 0.7 0.2
assign (resid   48 and  name HB1 )(resid   49 and  name HN  ) 4.0 2.2 1.0
assign (resid   48 and  name HB2 )(resid   49 and  name HN  ) 4.0 2.2 1.0
assign (resid   48 and  name HA  )(resid   49 and  name HN  ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   49 and  name HN  ) 2.5 0.7 0.2
assign (resid   48 and  name HN  )(resid   49 and  name HB# ) 4.0 3.3 2.1
!!A49 
assign (resid   49 and  name HN  )(resid   49 and  name HA  ) 3.0 1.2 0.3
assign (resid   49 and  name HN  )(resid   49 and  name HB# ) 2.5 1.4 0.9
assign (resid   49 and  name HA  )(resid   50 and  name HN  ) 2.5 0.7 0.2
assign (resid   49 and  name HB# )(resid   50 and  name HN  ) 2.5 1.4 0.9
assign (resid   49 and  name HN  )(resid   50 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HB# )(resid   51 and  name HN  ) 4.0 3.3 2.1
assign (resid   49 and  name HN  )(resid   51 and  name HG1#) 4.0 3.3 2.1
assign (resid   49 and  name HN  )(resid   51 and  name HG2#) 4.0 3.3 2.1
!!K50 
assign (resid   50 and  name HN  )(resid   50 and  name HA  ) 3.0 1.2 0.3
assign (resid   50 and  name HN  )(resid   50 and  name HB1 ) 3.0 2.2 1.3
assign (resid   50 and  name HN  )(resid   50 and  name HB2 ) 3.0 2.2 1.3
assign (resid   50 and  name HA  )(resid   50 and  name HB1 ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   50 and  name HB2 ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   50 and  name HG1 ) 4.0 2.2 1.0
assign (resid   50 and  name HA  )(resid   50 and  name HG2 ) 4.0 2.2 1.0
assign (resid   50 and  name HA  )(resid   51 and  name HN  ) 2.3 0.5 0.2
assign (resid   50 and  name HB# )(resid   51 and  name HN  ) 4.0 3.2 2.0
!!V51 g- w/ HG1 uf
assign (resid   51 and  name HN  )(resid   51 and  name HA ) 3.0 1.2 0.3
assign (resid   51 and  name HN  )(resid   51 and  name HB ) 4.0 2.2 1.0
assign (resid   51 and  name HG2#)(resid   51 and  name HN ) 2.5 1.4 0.9
assign (resid   51 and  name HG1#)(resid   51 and  name HN ) 4.0 3.3 2.1
assign (resid   51 and  name HA  )(resid   51 and  name HB ) 2.5 0.7 0.2
assign (resid   51 and  name HG2#)(resid   51 and  name HA ) 4.0 3.3 2.1
assign (resid   51 and  name HG1#)(resid   51 and  name HA ) 2.5 1.4 0.9
assign (resid   51 and  name HG2#)(resid   52 and  name HN ) 4.0 3.3 2.1
assign (resid   51 and  name HG1#)(resid   52 and  name HN ) 4.0 3.3 2.1
assign (resid   51 and  name HA  )(resid   52 and  name HN ) 2.3 0.5 0.2
assign (resid   51 and  name HB  )(resid   52 and  name HN ) 2.3 0.5 0.2
!!S52
assign (resid   52 and  name HA  )(resid   52 and  name HN  ) 3.0 1.2 0.3
assign (resid   52 and  name HB1 )(resid   52 and  name HN  ) 3.0 1.2 0.3
assign (resid   52 and  name HB2 )(resid   52 and  name HN  ) 3.0 1.2 0.3
assign (resid   52 and  name HB1 )(resid   52 and  name HA  ) 4.0 2.2 1.0
assign (resid   52 and  name HB2 )(resid   52 and  name HA  ) 3.0 1.2 0.3
assign (resid   52 and  name HA  )(resid   53 and  name HN  ) 2.3 0.5 0.2
assign (resid   52 and  name HB1 )(resid   53 and  name HN  ) 4.0 2.2 1.0
assign (resid   52 and  name HB2 )(resid   53 and  name HN  ) 4.0 2.2 1.0
!!D53  g2g3 UF=B1
assign (resid   53 and  name HN  )(resid   53 and  name HA  ) 4.0 2.2 1.0
assign (resid   53 and  name HN  )(resid   53 and  name HB1 ) 4.0 2.2 1.0
assign (resid   53 and  name HN  )(resid   53 and  name HB2 ) 4.0 2.2 1.0
assign (resid   53 and  name HA  )(resid   53 and  name HB1 ) 4.0 2.2 1.0
assign (resid   53 and  name HA  )(resid   53 and  name HB2 ) 4.0 2.2 1.0
assign (resid   53 and  name HB1 )(resid   54 and  name HN  ) 4.0 2.2 1.0
assign (resid   53 and  name HB2 )(resid   54 and  name HN  ) 4.0 2.2 1.0
assign (resid   53 and  name HA  )(resid   54 and  name HN  ) 3.0 1.2 0.3
assign (resid   53 and  name HN  )(resid   54 and  name HN  ) 3.0 1.2 0.3
!!S54  g2g3 UF=B1
assign (resid   54 and  name HN  )(resid   54 and  name HA  ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   54 and  name HB1 ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   54 and  name HB2 ) 4.0 2.2 1.0
assign (resid   54 and  name HA  )(resid   54 and  name HB1 ) 3.0 1.2 0.3
assign (resid   54 and  name HA  )(resid   54 and  name HB2 ) 3.0 1.2 0.3
assign (resid   54 and  name HB1 )(resid   55 and  name HN  ) 4.0 2.2 1.0
assign (resid   54 and  name HB2 )(resid   55 and  name HN  ) 4.0 2.2 1.0
assign (resid   54 and  name HA  )(resid   55 and  name HN  ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   55 and  name HN  ) 4.0 2.2 1.0
assign (resid   54 and  name HN  )(resid   56 and  name HN  ) 4.0 2.2 1.0
assign (resid   54 and  name HA  )(resid   56 and  name HN  ) 4.0 2.2 1.0
!!A55 
assign (resid   55 and  name HN  )(resid   55 and  name HA  ) 4.0 2.2 1.0
assign (resid   55 and  name HN  )(resid   55 and  name HB# ) 3.0 2.1 1.4
assign (resid   55 and  name HB# )(resid   56 and  name HN  ) 4.0 3.3 2.1
assign (resid   55 and  name HN  )(resid   56 and  name HN  ) 2.5 0.7 0.2
assign (resid   55 and  name HA  )(resid   56 and  name HN  ) 4.0 2.2 1.0
!!Thr56 
assign (resid   56 and  name HN  )(resid   56 and  name HA  ) 4.0 2.2 1.0
assign (resid   56 and  name HN  )(resid   56 and  name HB  ) 4.0 2.2 1.0
assign (resid   56 and  name HN  )(resid   56 and  name HG2#) 4.0 3.3 2.1
assign (resid   56 and  name HG2#)(resid   57 and  name HN  ) 4.0 3.3 2.1
assign (resid   56 and  name HN  )(resid   57 and  name HN  ) 4.0 2.2 1.0
assign (resid   56 and  name HA  )(resid   57 and  name HN  ) 2.5 0.7 0.2
assign (resid   56 and  name HB  )(resid   57 and  name HN  ) 4.0 2.2 1.0
!!assign (resid   56 and  name HG2#)(resid   58 and  name HN  ) 4.0 3.3 2.1
!!N57 
assign (resid   57 and  name HN  )(resid   57 and  name HA  ) 4.0 2.2 1.0
assign (resid   57 and  name HN  )(resid   57 and  name HB1 ) 4.0 2.2 1.0
assign (resid   57 and  name HN  )(resid   57 and  name HB2 ) 4.0 2.2 1.0
assign (resid   57 and  name HA  )(resid   57 and  name HB1 ) 2.5 0.7 0.2
assign (resid   57 and  name HA  )(resid   57 and  name HB2 ) 2.5 0.7 0.2
assign (resid   57 and  name HN  )(resid   58 and  name HN  ) 4.0 2.2 1.0 
assign (resid   57 and  name HA  )(resid   58 and  name HN  ) 2.5 0.7 0.2
!!assign (resid   57 and  name HB1 )(resid   58 and  name HN  ) 4.0 2.2 1.0
!!assign (resid   57 and  name HB2 )(resid   58 and  name HN  ) 4.0 2.2 1.0
!!I58 
assign (resid   58 and  name HN  )(resid   58 and  name HA  ) 3.0 1.2 0.3
assign (resid   58 and  name HN  )(resid   58 and  name HB  ) 3.0 1.2 0.3
assign (resid   58 and  name HN  )(resid   58 and  name HG2#) 3.0 2.1 1.4
assign (resid   58 and  name HA  )(resid   58 and  name HB  ) 3.0 1.2 0.3
assign (resid   58 and  name HA  )(resid   58 and  name HG2#) 3.0 2.1 1.4
assign (resid   58 and  name HA  )(resid   58 and  name HD1#) 4.0 3.3 2.1
assign (resid   58 and  name HA  )(resid   59 and  name HN  ) 2.5 0.7 0.2
assign (resid   58 and  name HB  )(resid   59 and  name HN  ) 4.0 2.2 1.0
assign (resid   58 and  name HG2#)(resid   59 and  name HN  ) 4.0 3.3 2.1
!!C59 
assign (resid   59 and  name HN  )(resid   59 and  name HA ) 3.0 1.2 0.3
assign (resid   59 and  name HN  )(resid   59 and  name HB#) 4.0 3.2 2.0
assign (resid   59 and  name HA  )(resid   60 and  name HN ) 3.0 1.2 0.3
assign (resid   59 and  name HB# )(resid   60 and  name HN ) 3.0 2.2 1.3
!! H-bonds
assign (resid    3 and  name HN  )(resid   42 and  name  O  ) 2.1 0.6 0.2
assign (resid    3 and  name  N  )(resid   42 and  name  O  ) 3.1 0.6 0.2
assign (resid   42 and  name HN  )(resid    3 and  name  O  ) 2.1 0.6 0.2
assign (resid   42 and  name  N  )(resid    3 and  name  O  ) 3.1 0.6 0.2 
assign (resid   39 and  name  O  )(resid   36 and  name HN  ) 2.1 0.6 0.2
assign (resid   39 and  name  O  )(resid   36 and  name  N  ) 3.1 0.6 0.2
!! try 1.5 0.6 0.2
assign (resid   36 and  name  O  )(resid   39 and  name HN  ) 2.1 0.6 0.2
assign (resid   36 and  name  O  )(resid   39 and  name  N  ) 3.1 0.6 0.2
assign (resid   34 and  name  O  )(resid   41 and  name HN  ) 2.1 0.6 0.2
assign (resid   34 and  name  O  )(resid   41 and  name  N  ) 3.1 0.6 0.2
assign (resid   41 and  name  O  )(resid   34 and  name HN  ) 2.1 0.6 0.2
assign (resid   41 and  name  O  )(resid   34 and  name  N  ) 3.1 0.6 0.2
assign (resid   32 and  name  O  )(resid   43 and  name HN  ) 2.1 0.6 0.2
assign (resid   32 and  name  O  )(resid   43 and  name  N  ) 3.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   32 and  name HN  ) 2.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   32 and  name  N  ) 3.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   31 and  name HN  ) 2.1 0.6 0.2
assign (resid   43 and  name  O  )(resid   31 and  name  N  ) 3.1 0.6 0.2
!! alpha helix (edited 21july97)
assign (resid   18 and  name  O  )(resid   22 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   22 and  name N   ) 3.1 0.6 0.2
assign (resid   19 and  name  O  )(resid   23 and  name HN  ) 2.1 0.6 0.2
assign (resid   19 and  name  O  )(resid   23 and  name N   ) 3.1 0.6 0.2
assign (resid   20 and  name  O  )(resid   24 and  name HN  ) 2.1 0.6 0.2
assign (resid   20 and  name  O  )(resid   24 and  name N   ) 3.1 0.6 0.2
assign (resid   21 and  name  O  )(resid   25 and  name HN  ) 2.1 0.6 0.2
assign (resid   21 and  name  O  )(resid   25 and  name N   ) 3.1 0.6 0.2
assign (resid   22 and  name  O  )(resid   26 and  name HN  ) 2.1 0.6 0.2
assign (resid   22 and  name  O  )(resid   26 and  name N   ) 3.1 0.6 0.2
assign (resid   23 and  name  O  )(resid   27 and  name HN  ) 2.1 0.6 0.2
assign (resid   23 and  name  O  )(resid   27 and  name N   ) 3.1 0.6 0.2
assign (resid   24 and  name  O  )(resid   28 and  name HN  ) 2.1 0.6 0.2
assign (resid   24 and  name  O  )(resid   28 and  name N   ) 3.1 0.6 0.2
assign (resid   26 and  name  O  )(resid   29 and  name HN  ) 2.1 0.6 0.2
assign (resid   26 and  name  O  )(resid   29 and  name N   ) 3.1 0.6 0.2
assign (resid   25 and  name  O  )(resid   30 and  name HN  ) 2.1 0.6 0.2
assign (resid   25 and  name  O  )(resid   30 and  name N   ) 3.1 0.6 0.2
!!turns
!!make 7/10 very strong
assign (resid    7 and  name  O  )(resid   10 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name  O  )(resid   10 and  name N   ) 3.1 0.6 0.2
assign (resid   46 and  name  O  )(resid   49 and  name N   ) 3.1 0.6 0.2
assign (resid   46 and  name  O  )(resid   49 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name HN  )(resid   11 and  name O   ) 2.1 0.6 0.2
assign (resid    7 and  name  N  )(resid   11 and  name O   ) 3.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid    9 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid    9 and  name N   ) 3.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid   11 and  name HN  ) 2.1 0.6 0.2
assign (resid    7 and  name OD1 )(resid   11 and  name N   ) 3.1 0.6 0.2
!! misc.
assign (resid    1 and  name  O  )(resid   45 and  name HN  ) 2.1 0.6 0.2
assign (resid    1 and  name  O  )(resid   45 and  name N   ) 3.1 0.6 0.2
assign (resid    4 and  name  O  )(resid   52 and  name HN  ) 2.1 0.6 0.2
assign (resid    4 and  name  O  )(resid   52 and  name N   ) 3.1 0.6 0.2
assign (resid   50 and  name  O  )(resid    6 and  name HN  ) 2.1 0.6 0.2
assign (resid   50 and  name  O  )(resid    6 and  name N   ) 3.1 0.6 0.2
assign (resid   13 and  name  O  )(resid   40 and  name HN  ) 2.1 0.6 0.2
assign (resid   13 and  name  O  )(resid   40 and  name N   ) 3.1 0.6 0.2
assign (resid    5 and  name  O  )(resid   13 and  name HN  ) 2.1 0.6 0.2
assign (resid    5 and  name  O  )(resid   13 and  name N   ) 3.1 0.6 0.2
assign (resid   38 and  name  O  )(resid   15 and  name HN  ) 2.1 0.6 0.2
assign (resid   38 and  name  O  )(resid   15 and  name N   ) 3.1 0.6 0.2
assign (resid   49 and  name  O  )(resid    1 and  name HZ2 ) 2.1 0.6 0.2
assign (resid   49 and  name  O  )(resid    1 and  name NZ  ) 3.1 0.6 0.2
assign (resid   47 and  name  O  )(resid    1 and  name HZ3 ) 2.1 0.6 0.2
assign (resid   47 and  name  O  )(resid    1 and  name NZ  ) 3.1 0.6 0.2
assign (resid   18 and  name OD1 )(resid   35 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name OD1 )(resid   35 and  name N   ) 3.1 0.6 0.2
!! add these 22jul99
assign (resid   22 and  name OD1 )(resid   33 and  name HN  ) 2.1 0.6 0.2
assign (resid   22 and  name OD1 )(resid   33 and  name N   ) 3.1 0.6 0.2
assign (resid    2 and  name OD1 )(resid   44 and  name HN  ) 2.1 0.6 0.2
assign (resid    2 and  name OD1 )(resid   44 and  name N   ) 3.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   21 and  name HN  ) 2.1 0.6 0.2
assign (resid   18 and  name  O  )(resid   21 and  name N   ) 3.1 0.6 0.2


Torsional angle constraints for CsE-v5
!!Asp-2
 assign ( resid 1 and name c )    ( resid 2 and name n )  
        ( resid 2 and name ca)    ( resid 2 and name c )  1.0 -120.0 40.0 2
!! Y4 J=8.1 
 assign ( resid 3 and name c )    ( resid 4 and name n )  
        ( resid 4 and name ca)    ( resid 4 and name c )  1.0 -120. 40.0 2
!! V6 J=10.5
 assign ( resid 5 and name c )    ( resid 6 and name n )  
        ( resid 6 and name ca)    ( resid 6 and name c )  1.0 -120. 40.0 2
!! D7 J=8.5 mjj
 assign ( resid 6 and name c )    ( resid 7 and name n )
        ( resid 7 and name ca)    ( resid 7 and name c )  1.0 -120. 40.0 2
!! S8 J=4.5
 assign ( resid 7 and name c )    ( resid 8 and name n )  
        ( resid 8 and name ca)    ( resid 8 and name c )  1.0  -60.  30.0 2
!! K9 J=9.1
 assign ( resid 8 and name c )    ( resid  9 and name n)  
        ( resid 9 and name ca)    (resid  9 and name c )  1.0 -120. 40.0 2
!! C11 J=8.5)
 assign ( resid 10 and name c )   ( resid 11 and name n )  
        ( resid 11 and name ca)   ( resid 11 and name c )  1.0 -120. 40.0 2
!! K12 no cosy peaks 7.2 Hz from tocsy
!! L13 J=8.5 mjj
  assign ( resid 12 and name c )   ( resid 13 and name n )  
         ( resid 13 and name ca)   ( resid 13 and name c )  1.0 -120. 40.0 2
!! S14 no cosy 6.0 Hz from noesy
 assign ( resid 13 and name c )   ( resid 14 and name n )  
        ( resid 14 and name ca)   ( resid 14 and name c )  1.0 -60. 30.0 2
!! C15 no cosy 10.5 HZ from tocsy
 assign ( resid 14 and name c )   ( resid 15 and name n )  
        ( resid 15 and name ca)   ( resid 15 and name c )  1.0  -120. 40.0 2
!! V16 J=10.4
 assign ( resid 15 and name c )   ( resid 16 and name n )  
        ( resid 16 and name ca)   ( resid 16 and name c )  1.0 -120. 40.0 2
!! A17 J=8.4 mjj
 assign ( resid 16 and name c )   ( resid 17 and name n )  
        ( resid 17 and name ca)   ( resid 17 and name c )  1.0 -120. 40.0 2
!! N18 J=5.6
 assign ( resid 17 and name c )   ( resid 18  and name n )  
        ( resid 18 and name ca)   ( resid 18 and name c )  1.0 -60. 30.0 2
!! N19 J=6.0
 assign ( resid 18 and name c )   ( resid 19 and name n )  
        ( resid 19 and name ca)   ( resid 19 and name c )  1.0 -60. 30.0 2
!! Y20 J=4.8
 assign ( resid 19 and name c )   ( resid 20 and name n )  
        ( resid 20 and name ca)   ( resid 20 and name c )  1.0 -60. 30.0 2
!! C21 no cosy
!! D22 
 assign ( resid 21 and name c )   ( resid 22 and name n )  
        ( resid 22 and name ca)   ( resid 22 and name c )  1.0 -60. 30.0 2
!! N23
 assign ( resid 22 and name c )   ( resid 23 and name n )  
        ( resid 23 and name ca)   ( resid 23 and name c )  1.0 -60. 30.0 2
!! Q24 4.5 Hz from noesy
 assign ( resid 23 and name c )   ( resid 24 and name n )  
        ( resid 24 and name ca)   ( resid 24 and name c )  1.0 -60. 30.0 2
!! C25 J=6.0  
 assign ( resid 24 and name c )   ( resid 25 and name n )  
        ( resid 25 and name ca)   ( resid 25 and name c )  1.0 -60. 30.0 2
!! M27 J=6.3 
 assign ( resid 26 and name c )   ( resid 27 and name n )  
        ( resid 27 and name ca)   ( resid 27 and name c )  1.0 -60. 30.0 2
!! K28 J=8.5  
  assign ( resid 27 and name c )  ( resid 28 and name n )  
         ( resid 28 and name ca)  ( resid 28 and name c )  1.0 -120. 40.0 2
!! K29  J=7.1 
!! A30 9 Hz
 assign ( resid 29 and name c )   ( resid 30 and name n )  
        ( resid 30 and name ca)   ( resid 30 and name c )  1.0 -120. 40.0 2
!! S31 7.2 Hz 9.0 from tocsy
 assign ( resid 30 and name c )   ( resid 31 and name n )  
        ( resid 31 and name ca)   ( resid 31 and name c )  1.0 -120. 40.0 2
!! M34 no cosy
!! C35 no cosy 10.5 Hz from tocsy
 assign ( resid 34 and name c )   ( resid 35 and name n )  
        ( resid 35 and name ca)   ( resid 35 and name c )  1.0 -120. 40.0 2
!! Y36 no cosy 10.0 Hz from tocsy
 assign ( resid 35 and name c )   ( resid 36 and name n )  
        ( resid 36 and name ca)   ( resid 36 and name c )  1.0 -120. 40.0 2
!! A37 J=6.8  
 assign ( resid 36 and name c )   ( resid 37 and name n )  
        ( resid 37 and name ca)   ( resid 37 and name c )  1.0  60. 30.0 2
!! M38 no cosy
 assign ( resid 37 and name c )   ( resid 38 and name n )  
        ( resid 38 and name ca)   ( resid 38 and name c )  1.0  90. 40.0 2
!! S39 J=8.6
 assign ( resid 38 and name c )   ( resid 39 and name n )  
        ( resid 39 and name ca)   ( resid 39 and name c )  1.0 -120. 40.0 2
!! C40 no cosy no tocsy
!! Y41 no cosy 11.5 Hz from tocsy
 assign ( resid 40 and name c )   ( resid 41 and name n )  
        ( resid 41 and name ca)   ( resid 41 and name c )  1.0 -120. 40.0 2
!! C42 12 Hz
 assign ( resid 41 and name c )   ( resid 42 and name n )
        ( resid 42 and name ca)   ( resid 42 and name c )  1.0 -120. 40.0 2
!! E43 no cosy
!! L45 J=6.5  
 assign ( resid 44 and name c )   ( resid 45 and name n )  
        ( resid 45 and name ca)   ( resid 45 and name c  )  1.0 -60. 30.0 2
!! E47 4.0 Hz
 assign ( resid 46 and name c )   ( resid 47 and name n )
        ( resid 47 and name ca)   ( resid 47 and name c  )  1.0 -60. 30.0 2
!! N48 J=7.7 10.5 From tocsy
 assign ( resid 47 and name c )   ( resid 48 and name n )  
        ( resid 48 and name ca)   ( resid 48 and name c )  1.0 -120. 40.0 2
!! for 04mar98 *s*sak* remove phi for 49 to 53
!! A49 J=4.9
 assign ( resid 48 and name c )   ( resid 49 and name n )  
        ( resid 49 and name ca)   ( resid 49 and name c )  1.0 -60. 30.0 2
!! K50 J=6.7, 8.5 from tocsy
 assign ( resid 49 and name c )   ( resid 50 and name n )  
        ( resid 50 and name ca)   ( resid 50 and name c )  1.0 -80.  40.0 2
!! V51 J=10.2
 assign ( resid 50 and name c )   ( resid 51 and name n )  
        ( resid 51 and name ca)   ( resid 51 and name c )  1.0 -120. 40.0 2
!! S52 J=6.6
 assign ( resid 51 and name c )   ( resid 52 and name n )  
        ( resid 52 and name ca)   ( resid 52 and name c )  1.0 -60.0 30.0 2
!! D53 J=8.4
 assign ( resid 52 and name c )   ( resid 53 and name n )  
        ( resid 53 and name ca)   ( resid 53 and name c )  1.0 -120. 40.0 2
!! S54 J=7.0  8.0 from tocsy
!! for v5a9l_sak remove phi for S54
 assign ( resid 53 and name c )   ( resid 54 and name n )  
        ( resid 54 and name ca)   ( resid 54 and name c )  1.0 -120.0 40 2
!! A55 J=6.1 6.5 from tocsy
 assign ( resid 54 and name c )   ( resid 55 and name n )  
        ( resid 55 and name ca)   ( resid 55 and name c )  1.0 -60.0 30.0 2
!! T56 J=6.5 8.5 from tocsy
 assign ( resid 55 and name c )   ( resid 56 and name n )  
        ( resid 56 and name ca)   ( resid 56 and name c )  1.0 -120.0 40 2
!! N57 J=7.7  
 assign ( resid 56 and name c )   ( resid 57 and name n )  
        ( resid 57 and name ca)   ( resid 57 and name c )  1.0 -120.0 40.0 2
!! I58, J=8.0  
 assign ( resid 57 and name c )   ( resid 58 and name n )  
        ( resid 58 and name ca)   ( resid 58 and name c )  1.0 -120.0 40.0 2
!! C59 no cosy
 assign ( resid 58 and name c )   ( resid 59 and name n )  
        ( resid 59 and name ca)   ( resid 59 and name c )  1.0 -120.0 40.0 2
!! Chi angle constraints (not edited 21July97)
!! D2  t2g3 DF=B1
  assign (resid  2 and name n )   (resid  2 and name ca)
         (resid  2 and name cb)   (resid  2 and name cg)   1.0  -60. 59.0 2
!! Y4  t2g3 UF=B1 
  assign (resid  4 and name n )   (resid  4 and name ca)
         (resid  4 and name cb)   (resid  4 and name cg)   1.0  -60. 59.0 2
!! V6 t 11mar98 set to -g DF=HG1
  assign (resid  6 and name n )  (resid  6 and name ca)
         (resid  6 and name cb)  (resid  6 and name hb)    1.0  180. 59.0 2
!!D7  g2g3 UF=B1
  assign (resid  7 and name n )  (resid  7 and name ca)
         (resid  7 and name cb)  (resid  7 and name cg)    1.0  60.0 59.0 2
!! S8 g2g3 UF= B1 [01may98] 
  assign (resid  8 and name n )  (resid  8 and name ca)
         (resid  8 and name cb)  (resid  8 and name og)    1.0  60.0 59.0 2
!! C11 t2g3 UF=B1  
  assign (resid  11 and name n )  (resid  11 and name ca)
         (resid  11 and name cb)  (resid  11 and name sg)  1.0  -60. 59.0 2
!! K12 t2g3 DF=B1  
  assign (resid  12 and name n )  (resid  12 and name ca)
         (resid  12 and name cb)  (resid  12 and name cg)  1.0  -60. 59.0 2
!! S14  (B2     ) g2g3 or t2g3 from noe pattern, set to 0 +/- 120 01may98 
!! 23apr99 set to t2g3
  assign (resid  14 and name n )  (resid  14 and name ca)
         (resid  14 and name cb)  (resid  14 and name og)  1.0  -60. 59.0 2
!! C15 07apr98 set to g2g3, DF=B1
  assign (resid  15 and name n )  (resid  15 and name ca)
         (resid  15 and name cb)  (resid  15 and name sg)  1.0  60.0 59.0 2
!! V16 g- apr98 UF=HG2
  assign (resid 16 and name n )  (resid 16 and name ca)
         (resid 16 and name cb)  (resid 16 and name hb)    1.0 -60.0 59.0 2
!! N18 t2g3 DF=B1 
  assign (resid  18 and name n )  (resid  18 and name ca)
         (resid  18 and name cb)  (resid  18 and name cg)  1.0 -60.0 59.0 2
!! N19  g2g3 DF=B1 
  assign (resid  19 and name n )  (resid  19 and name ca)
         (resid  19 and name cb)  (resid  19 and name cg)  1.0  60.0 59.0 2
!! Y20  g2t3 UF=B1
  assign (resid  20 and name n )  (resid  20 and name ca)
         (resid  20 and name cb)  (resid  20 and name cg)  1.0 180.0 59.0 2
!! C21 g2t3 18mar97 set to -120 +/- 120
!! 15apr98, g2t3 UF=B1
!! set to t2g3 05jan99
  assign (resid  21 and name n )  (resid  21 and name ca)  
         (resid  21 and name cb)  (resid  21 and name sg)  1.0 -60.0 59.0 2
!! D22 g2t3 UF=B1
  assign (resid  22 and name n )  (resid  22 and name ca)
         (resid  22 and name cb)  (resid  22 and name cg)  1.0 180.0 59.0 2  
!! N23  g2g3 DF=B1 
  assign (resid  23 and name n )  (resid  23 and name ca)
         (resid  23 and name cb)  (resid  23 and name cg)  1.0  60.0 59.0 2
!! C25  t2g3 UF=B1
  assign (resid  25 and name n )  (resid  25 and name ca)
         (resid  25 and name cb)  (resid  25 and name sg)  1.0 -60.0 59.0 2
!! M27  t2g3
  assign (resid  27 and name n )  (resid  27 and name ca)
         (resid  27 and name cb)  (resid  27 and name cg)  1.0 -60.0 59.0 2
!! S31  (B2           )   
!!  assign (resid  31 and name n )  (resid  31 and name ca)
!!         (resid  31 and name cb)  (resid  31 and name og)  1.0 180. 59.0 2
!! H34 t2g3, DF=B1   
!! 18feb99 g2g3    
  assign (resid  34 and name n )  (resid  34 and name ca)
         (resid  34 and name cb)  (resid  34 and name cg)  1.0  60.0 59.0 2
!! C35 g2t3, UF=B1       
  assign (resid  35 and name n )  (resid  35 and name ca)
         (resid  35 and name cb)  (resid  35 and name sg)  1.0  180. 59.0 2
!!Y36 g2t3 UF=B1 07apr98
!! t2g3, 06jan99 
  assign (resid  36 and name n )  (resid  36 and name ca)
         (resid  36 and name cb)  (resid  36 and name cg)  1.0  -120.0 120.0 2
!! S39 t2g3 DF=B1 
  assign (resid  39 and name n )  (resid  39 and name ca)
         (resid  39 and name cb)  (resid  39 and name og)  1.0 -60. 59.0 2
!!  C40  g2t3 DF=B1
  assign (resid  40 and name n )  (resid  40 and name ca)
         (resid  40 and name cb)  (resid  40 and name sg)  1.0  180. 59.0 2
!!Y41    g2t3 UF=B1
  assign (resid  41 and name n )  (resid  41 and name ca)
         (resid  41 and name cb)  (resid  41 and name cg)  1.0  180.0  59.0 2
!!C42   t2g3 DF=B1
  assign (resid  42 and name n )  (resid  42 and name ca)
         (resid  42 and name cb)  (resid  42 and name sg)  1.0  -60.0  59.0 2
!! N48   g2g3 UF=B1
  assign (resid  48 and name n )  (resid  48 and name ca)
         (resid  48 and name cb)  (resid  48 and name cg)  1.0  60.0  59.0 2
!! V51  set to g- 10mar98 UF=HG1
  assign (resid 51 and name n )  (resid 51 and name ca)
         (resid 51 and name cb)  (resid 51 and name hb)    1.0  180. 59.0 2
!! S52   g2t3 UF=B1
  assign (resid  52 and name n )  (resid  52 and name ca)
         (resid  52 and name cb)  (resid  52 and name og)  1.0  180.0  59.0 2
!! D53   g2g3 DF=B1
  assign (resid  53 and name n )  (resid  53 and name ca)
         (resid  53 and name cb)  (resid  53 and name cg)  1.0  60.0  59.0 2
!! S54   g2g3 DF=B1
  assign (resid  54 and name n )  (resid  54 and name ca)
         (resid  54 and name cb)  (resid  54 and name og)  1.0  60.0  59.0 2
!! N57 g2g3 set UF=B1
!!  assign (resid  57 and name n )  (resid  57 and name ca)
!!         (resid  57 and name cb)  (resid  57 and name cg)  1.0  60.0  59.0 2
!! C59   ( B1            ) g2g3 
!!  assign (resid  59 and name n )  (resid  59 and name ca)
!!         (resid  59 and name cb)  (resid  59 and name sg)  1.0  60.0  59.0 2
!! Proline omega angles; 
!! PRO 5
 assign (resid  4 and name ca)   (resid  4 and name c)
        (resid  5 and name n)    (resid  5 and name ca)  1.0  180.  5.0 2
!! PRO 46
 assign (resid  45 and name ca)   (resid  45 and name c)
        (resid  46 and name n)    (resid  46 and name ca)  1.0  180.  5.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          HT1       LYS   1  -3.852  12.058  -4.115
    2   2H    LYS   1          HT2       LYS   1  -3.592  10.913  -2.886
    3   3H    LYS   1          HT3       LYS   1  -4.825  10.672  -4.029
    4    HA   LYS   1           HA       LYS   1  -3.085  10.566  -5.797
    5   1HB   LYS   1          HB2       LYS   1  -0.797  10.533  -5.087
    6   2HB   LYS   1          HB1       LYS   1  -1.541  11.886  -4.233
    7   1HG   LYS   1          HG2       LYS   1  -1.908  10.392  -2.267
    8   2HG   LYS   1          HG1       LYS   1  -1.049   9.109  -3.119
    9   1HD   LYS   1          HD2       LYS   1   0.938  10.617  -3.297
   10   2HD   LYS   1          HD1       LYS   1   0.079  11.804  -2.314
   11   1HE   LYS   1          HE2       LYS   1  -0.117  10.112  -0.486
   12   2HE   LYS   1          HE1       LYS   1   0.850   8.989  -1.463
   13   1HZ   LYS   1          HZ1       LYS   1   2.473  10.923  -1.669
   14   2HZ   LYS   1          HZ2       LYS   1   2.420  10.117  -0.174
   15   3HZ   LYS   1          HZ3       LYS   1   1.645  11.617  -0.362
   16    H    ASP   2           HN       ASP   2  -1.784   8.423  -6.042
   17    HA   ASP   2           HA       ASP   2  -3.018   6.286  -4.327
   18   1HB   ASP   2          HB2       ASP   2  -2.373   6.028  -7.269
   19   2HB   ASP   2          HB1       ASP   2  -3.474   5.046  -6.303
   20    H    GLY   3           HN       GLY   3  -1.677   4.301  -4.194
   21   1HA   GLY   3          HA2       GLY   3   0.810   3.835  -5.344
   22   2HA   GLY   3          HA1       GLY   3   1.160   4.921  -4.002
   23    H    TYR   4           HN       TYR   4   2.409   2.867  -3.380
   24    HA   TYR   4           HA       TYR   4   0.665   0.842  -2.037
   25   1HB   TYR   4          HB2       TYR   4   3.619   0.914  -2.748
   26   2HB   TYR   4          HB1       TYR   4   2.813  -0.446  -1.972
   27    HD1  TYR   4           HD1      TYR   4   1.272  -1.879  -3.205
   28    HD2  TYR   4           HD2      TYR   4   3.147   1.500  -5.083
   29    HE1  TYR   4           HE1      TYR   4   0.578  -2.725  -5.428
   30    HE2  TYR   4           HE2      TYR   4   2.451   0.653  -7.307
   31    HH   TYR   4           HH       TYR   4   1.222  -2.511  -7.761
   32    HA   PRO   5           HA       PRO   5   1.760   3.119   1.660
   33   1HB   PRO   5          HB2       PRO   5   0.342   1.544   3.389
   34   2HB   PRO   5          HB1       PRO   5  -0.411   2.789   2.372
   35   1HG   PRO   5          HG2       PRO   5  -0.274  -0.159   1.959
   36   2HG   PRO   5          HG1       PRO   5  -1.617   0.959   1.668
   37   1HD   PRO   5          HD2       PRO   5  -0.026   0.013  -0.317
   38   2HD   PRO   5          HD1       PRO   5  -0.808   1.608  -0.380
   39    H    VAL   6           HN       VAL   6   3.407   2.798   3.150
   40    HA   VAL   6           HA       VAL   6   4.684   0.087   3.205
   41    HB   VAL   6           HB       VAL   6   6.709   1.338   3.736
   42   1HG1  VAL   6          HG11      VAL   6   5.612   1.261   1.338
   43   2HG1  VAL   6          HG12      VAL   6   7.029   2.270   1.631
   44   3HG1  VAL   6          HG13      VAL   6   5.421   2.995   1.596
   45   1HG2  VAL   6          HG21      VAL   6   5.997   4.020   3.413
   46   2HG2  VAL   6          HG22      VAL   6   6.445   3.236   4.928
   47   3HG2  VAL   6          HG23      VAL   6   4.746   3.362   4.469
   48    H    ASP   7           HN       ASP   7   6.074  -0.028   5.371
   49    HA   ASP   7           HA       ASP   7   4.121   0.347   7.608
   50   1HB   ASP   7          HB2       ASP   7   5.657  -1.446   8.646
   51   2HB   ASP   7          HB1       ASP   7   4.674  -1.943   7.270
   52    H    SER   8           HN       SER   8   5.866   0.089   9.752
   53    HA   SER   8           HA       SER   8   6.832   2.729  10.156
   54   1HB   SER   8          HB2       SER   8   7.672   1.810  12.204
   55   2HB   SER   8          HB1       SER   8   6.230   0.880  11.811
   56    HG   SER   8           HG       SER   8   8.909   0.147  11.797
   57    H    LYS   9           HN       LYS   9   8.302   0.042   8.511
   58    HA   LYS   9           HA       LYS   9  11.019   1.235   8.719
   59   1HB   LYS   9          HB2       LYS   9  10.553  -1.212   9.046
   60   2HB   LYS   9          HB1       LYS   9  10.042  -1.294   7.359
   61   1HG   LYS   9          HG2       LYS   9  12.200  -0.863   6.548
   62   2HG   LYS   9          HG1       LYS   9  12.729  -0.144   8.069
   63   1HD   LYS   9          HD2       LYS   9  13.639  -2.464   7.629
   64   2HD   LYS   9          HD1       LYS   9  12.777  -2.289   9.157
   65   1HE   LYS   9          HE2       LYS   9  10.712  -3.186   8.053
   66   2HE   LYS   9          HE1       LYS   9  11.671  -3.478   6.588
   67   1HZ   LYS   9          HZ1       LYS   9  11.711  -5.457   7.916
   68   2HZ   LYS   9          HZ2       LYS   9  12.177  -4.586   9.299
   69   3HZ   LYS   9          HZ3       LYS   9  13.248  -4.745   7.989
   70    H    GLY  10           HN       GLY  10   8.322   1.077   6.541
   71   1HA   GLY  10          HA2       GLY  10   8.191   2.567   4.623
   72   2HA   GLY  10          HA1       GLY  10   9.952   2.509   4.503
   73    H    CYS  11           HN       CYS  11   8.423  -0.491   5.128
   74    HA   CYS  11           HA       CYS  11   9.142  -1.435   2.405
   75   1HB   CYS  11          HB2       CYS  11   8.534  -2.649   5.095
   76   2HB   CYS  11          HB1       CYS  11   8.520  -3.656   3.649
   77    H    LYS  12           HN       LYS  12   7.583  -2.313   0.992
   78    HA   LYS  12           HA       LYS  12   4.929  -1.336   1.020
   79   1HB   LYS  12          HB2       LYS  12   6.354  -3.651  -0.296
   80   2HB   LYS  12          HB1       LYS  12   4.648  -3.340  -0.619
   81   1HG   LYS  12          HG2       LYS  12   5.497  -0.867  -1.014
   82   2HG   LYS  12          HG1       LYS  12   7.040  -1.669  -1.307
   83   1HD   LYS  12          HD2       LYS  12   4.792  -2.997  -2.642
   84   2HD   LYS  12          HD1       LYS  12   5.031  -1.335  -3.182
   85   1HE   LYS  12          HE2       LYS  12   6.866  -1.937  -4.366
   86   2HE   LYS  12          HE1       LYS  12   7.590  -2.688  -2.930
   87   1HZ   LYS  12          HZ1       LYS  12   7.209  -4.478  -4.352
   88   2HZ   LYS  12          HZ2       LYS  12   5.712  -3.874  -4.882
   89   3HZ   LYS  12          HZ3       LYS  12   5.865  -4.516  -3.317
   90    H    LEU  13           HN       LEU  13   2.954  -2.256   1.737
   91    HA   LEU  13           HA       LEU  13   3.143  -4.129   3.977
   92   1HB   LEU  13          HB2       LEU  13   1.597  -2.234   3.982
   93   2HB   LEU  13          HB1       LEU  13   0.826  -2.827   2.510
   94    HG   LEU  13           HG       LEU  13   0.389  -4.997   3.858
   95   1HD1  LEU  13          HD11      LEU  13   0.153  -4.520   6.325
   96   2HD1  LEU  13          HD12      LEU  13   1.037  -3.017   6.059
   97   3HD1  LEU  13          HD13      LEU  13   1.822  -4.567   5.756
   98   1HD2  LEU  13          HD21      LEU  13  -1.585  -3.901   3.435
   99   2HD2  LEU  13          HD22      LEU  13  -0.972  -2.354   4.021
  100   3HD2  LEU  13          HD23      LEU  13  -1.506  -3.584   5.168
  101    H    SER  14           HN       SER  14   3.251  -6.309   3.628
  102    HA   SER  14           HA       SER  14   2.637  -7.580   1.119
  103   1HB   SER  14          HB2       SER  14   2.661  -8.997   3.767
  104   2HB   SER  14          HB1       SER  14   3.379  -9.495   2.238
  105    HG   SER  14           HG       SER  14   5.077  -8.773   3.371
  106    H    CYS  15           HN       CYS  15   0.513  -7.454   0.410
  107    HA   CYS  15           HA       CYS  15  -1.707  -7.875   2.337
  108   1HB   CYS  15          HB2       CYS  15  -3.067  -7.123   0.428
  109   2HB   CYS  15          HB1       CYS  15  -1.713  -6.021   0.677
  110    H    VAL  16           HN       VAL  16  -3.290  -9.559   1.969
  111    HA   VAL  16           HA       VAL  16  -2.348 -11.776   0.180
  112    HB   VAL  16           HB       VAL  16  -1.897 -12.095   2.626
  113   1HG1  VAL  16          HG11      VAL  16  -3.687 -12.244   4.192
  114   2HG1  VAL  16          HG12      VAL  16  -4.903 -12.257   2.915
  115   3HG1  VAL  16          HG13      VAL  16  -4.006 -10.779   3.264
  116   1HG2  VAL  16          HG21      VAL  16  -3.202 -14.311   2.770
  117   2HG2  VAL  16          HG22      VAL  16  -2.146 -14.105   1.373
  118   3HG2  VAL  16          HG23      VAL  16  -3.886 -13.876   1.204
  119    H    ALA  17           HN       ALA  17  -4.852  -9.626   0.927
  120    HA   ALA  17           HA       ALA  17  -6.713 -11.065  -0.848
  121   1HB   ALA  17          HB1       ALA  17  -8.418 -11.355   0.835
  122   2HB   ALA  17          HB2       ALA  17  -7.485 -10.433   2.014
  123   3HB   ALA  17          HB3       ALA  17  -6.926 -12.024   1.495
  124    H    ASN  18           HN       ASN  18  -8.498  -9.693  -1.505
  125    HA   ASN  18           HA       ASN  18  -7.884  -6.892  -1.697
  126   1HB   ASN  18          HB2       ASN  18 -10.128  -8.755  -2.366
  127   2HB   ASN  18          HB1       ASN  18 -10.463  -7.023  -2.403
  128   1HD2  ASN  18          HD21      ASN  18 -10.022  -9.168  -4.626
  129   2HD2  ASN  18          HD22      ASN  18  -8.899  -8.426  -5.660
  130    H    ASN  19           HN       ASN  19 -10.361  -8.657   0.201
  131    HA   ASN  19           HA       ASN  19 -11.638  -6.519   1.472
  132   1HB   ASN  19          HB2       ASN  19 -12.017  -8.197   3.297
  133   2HB   ASN  19          HB1       ASN  19 -12.297  -8.862   1.689
  134   1HD2  ASN  19          HD21      ASN  19 -11.550 -10.442   4.048
  135   2HD2  ASN  19          HD22      ASN  19 -10.045 -11.150   3.710
  136    H    TYR  20           HN       TYR  20  -8.625  -8.159   2.491
  137    HA   TYR  20           HA       TYR  20  -8.132  -6.740   4.880
  138   1HB   TYR  20          HB2       TYR  20  -6.809  -8.637   4.259
  139   2HB   TYR  20          HB1       TYR  20  -6.351  -7.899   2.723
  140    HD1  TYR  20           HD1      TYR  20  -6.340  -6.810   6.321
  141    HD2  TYR  20           HD2      TYR  20  -4.128  -7.223   2.662
  142    HE1  TYR  20           HE1      TYR  20  -4.360  -5.779   7.401
  143    HE2  TYR  20           HE2      TYR  20  -2.148  -6.191   3.742
  144    HH   TYR  20           HH       TYR  20  -1.402  -6.042   6.449
  145    H    CYS  21           HN       CYS  21  -6.668  -6.001   1.688
  146    HA   CYS  21           HA       CYS  21  -5.613  -3.459   2.399
  147   1HB   CYS  21          HB2       CYS  21  -6.406  -4.892  -0.118
  148   2HB   CYS  21          HB1       CYS  21  -5.914  -3.202  -0.220
  149    H    ASP  22           HN       ASP  22  -8.726  -4.290   0.830
  150    HA   ASP  22           HA       ASP  22  -9.783  -1.766   0.323
  151   1HB   ASP  22          HB2       ASP  22 -10.871  -3.903  -0.201
  152   2HB   ASP  22          HB1       ASP  22 -11.123  -4.215   1.516
  153    H    ASN  23           HN       ASN  23  -9.795  -3.501   3.447
  154    HA   ASN  23           HA       ASN  23 -11.196  -1.428   4.897
  155   1HB   ASN  23          HB2       ASN  23 -10.872  -3.926   5.419
  156   2HB   ASN  23          HB1       ASN  23  -9.266  -3.482   5.999
  157   1HD2  ASN  23          HD21      ASN  23 -12.740  -3.104   6.630
  158   2HD2  ASN  23          HD22      ASN  23 -12.562  -2.484   8.200
  159    H    GLN  24           HN       GLN  24  -7.735  -2.334   4.685
  160    HA   GLN  24           HA       GLN  24  -6.685  -0.325   6.388
  161   1HB   GLN  24          HB2       GLN  24  -5.618  -2.378   5.215
  162   2HB   GLN  24          HB1       GLN  24  -5.376  -1.296   3.843
  163   1HG   GLN  24          HG2       GLN  24  -3.370  -1.280   5.232
  164   2HG   GLN  24          HG1       GLN  24  -4.173   0.286   5.356
  165   1HE2  GLN  24          HE21      GLN  24  -2.671   0.026   7.487
  166   2HE2  GLN  24          HE22      GLN  24  -3.497  -0.555   8.851
  167    H    CYS  25           HN       CYS  25  -6.673  -0.242   2.805
  168    HA   CYS  25           HA       CYS  25  -5.927   2.381   2.342
  169   1HB   CYS  25          HB2       CYS  25  -8.120   0.746   1.025
  170   2HB   CYS  25          HB1       CYS  25  -7.363   2.164   0.301
  171    H    LYS  26           HN       LYS  26  -9.320   1.313   2.835
  172    HA   LYS  26           HA       LYS  26 -10.681   3.722   2.769
  173   1HB   LYS  26          HB2       LYS  26 -11.382   1.267   3.343
  174   2HB   LYS  26          HB1       LYS  26 -11.105   1.756   5.015
  175   1HG   LYS  26          HG2       LYS  26 -13.182   2.627   5.014
  176   2HG   LYS  26          HG1       LYS  26 -12.590   3.853   3.892
  177   1HD   LYS  26          HD2       LYS  26 -12.988   1.705   2.223
  178   2HD   LYS  26          HD1       LYS  26 -14.306   1.517   3.379
  179   1HE   LYS  26          HE2       LYS  26 -14.470   4.191   2.938
  180   2HE   LYS  26          HE1       LYS  26 -13.867   3.650   1.359
  181   1HZ   LYS  26          HZ1       LYS  26 -15.676   1.743   2.017
  182   2HZ   LYS  26          HZ2       LYS  26 -15.972   3.048   0.971
  183   3HZ   LYS  26          HZ3       LYS  26 -16.414   3.152   2.607
  184    H    MET  27           HN       MET  27  -9.387   2.353   5.821
  185    HA   MET  27           HA       MET  27  -9.719   4.532   7.516
  186   1HB   MET  27          HB2       MET  27  -7.673   2.357   7.202
  187   2HB   MET  27          HB1       MET  27  -7.424   3.583   8.445
  188   1HG   MET  27          HG2       MET  27  -9.182   2.850   9.712
  189   2HG   MET  27          HG1       MET  27 -10.148   2.414   8.303
  190   1HE   MET  27          HE1       MET  27  -6.872   0.646  10.525
  191   2HE   MET  27          HE2       MET  27  -6.749   1.994   9.398
  192   3HE   MET  27          HE3       MET  27  -6.291   0.374   8.877
  193    H    LYS  28           HN       LYS  28  -7.288   4.105   4.989
  194    HA   LYS  28           HA       LYS  28  -5.835   6.554   5.790
  195   1HB   LYS  28          HB2       LYS  28  -5.537   4.336   3.777
  196   2HB   LYS  28          HB1       LYS  28  -4.569   5.803   3.620
  197   1HG   LYS  28          HG2       LYS  28  -3.329   5.351   5.495
  198   2HG   LYS  28          HG1       LYS  28  -4.682   4.586   6.329
  199   1HD   LYS  28          HD2       LYS  28  -4.429   2.564   5.034
  200   2HD   LYS  28          HD1       LYS  28  -3.231   3.327   3.988
  201   1HE   LYS  28          HE2       LYS  28  -2.768   3.153   6.968
  202   2HE   LYS  28          HE1       LYS  28  -2.339   1.806   5.894
  203   1HZ   LYS  28          HZ1       LYS  28  -1.286   3.629   4.454
  204   2HZ   LYS  28          HZ2       LYS  28  -0.451   3.137   5.850
  205   3HZ   LYS  28          HZ3       LYS  28  -1.339   4.585   5.854
  206    H    LYS  29           HN       LYS  29  -8.538   7.060   5.052
  207    HA   LYS  29           HA       LYS  29  -9.856   8.317   3.531
  208   1HB   LYS  29          HB2       LYS  29  -8.273   9.927   4.507
  209   2HB   LYS  29          HB1       LYS  29  -7.089   9.534   3.260
  210   1HG   LYS  29          HG2       LYS  29  -8.265  10.637   1.599
  211   2HG   LYS  29          HG1       LYS  29  -9.820  10.397   2.395
  212   1HD   LYS  29          HD2       LYS  29  -8.446  11.941   4.228
  213   2HD   LYS  29          HD1       LYS  29  -7.897  12.596   2.684
  214   1HE   LYS  29          HE2       LYS  29  -9.870  13.835   3.137
  215   2HE   LYS  29          HE1       LYS  29 -10.440  12.557   2.044
  216   1HZ   LYS  29          HZ1       LYS  29 -11.874  12.242   3.774
  217   2HZ   LYS  29          HZ2       LYS  29 -10.781  12.811   4.943
  218   3HZ   LYS  29          HZ3       LYS  29 -10.603  11.249   4.301
  219    H    ALA  30           HN       ALA  30  -8.414   5.887   2.373
  220    HA   ALA  30           HA       ALA  30  -7.895   6.779  -0.416
  221   1HB   ALA  30          HB1       ALA  30  -7.779   3.955   0.622
  222   2HB   ALA  30          HB2       ALA  30  -6.523   5.110   1.070
  223   3HB   ALA  30          HB3       ALA  30  -6.794   4.715  -0.628
  224    H    SER  31           HN       SER  31  -8.804   4.872  -2.012
  225    HA   SER  31           HA       SER  31 -11.651   4.311  -1.284
  226   1HB   SER  31          HB2       SER  31 -11.680   6.381  -2.509
  227   2HB   SER  31          HB1       SER  31 -10.542   5.761  -3.701
  228    HG   SER  31           HG       SER  31 -13.136   4.712  -3.205
  229    H    GLY  32           HN       GLY  32  -8.919   3.682  -3.478
  230   1HA   GLY  32          HA2       GLY  32 -10.217   1.107  -4.252
  231   2HA   GLY  32          HA1       GLY  32  -8.943   1.905  -5.176
  232    H    GLY  33           HN       GLY  33  -9.618  -0.050  -2.331
  233   1HA   GLY  33          HA2       GLY  33  -6.679  -0.396  -1.922
  234   2HA   GLY  33          HA1       GLY  33  -7.904  -0.737  -0.702
  235    H    HIS  34           HN       HIS  34  -5.956  -2.120  -3.059
  236    HA   HIS  34           HA       HIS  34  -7.459  -4.689  -2.852
  237   1HB   HIS  34          HB2       HIS  34  -6.835  -4.909  -5.367
  238   2HB   HIS  34          HB1       HIS  34  -8.167  -3.837  -4.937
  239    HD1  HIS  34           HD1      HIS  34  -7.371  -1.219  -4.548
  240    HD2  HIS  34           HD2      HIS  34  -4.889  -3.635  -6.866
  241    HE1  HIS  34           HE1      HIS  34  -5.883   0.346  -5.870
  242    H    CYS  35           HN       CYS  35  -6.044  -6.563  -3.470
  243    HA   CYS  35           HA       CYS  35  -3.232  -6.062  -2.617
  244   1HB   CYS  35          HB2       CYS  35  -4.701  -7.709  -1.441
  245   2HB   CYS  35          HB1       CYS  35  -4.828  -8.625  -2.942
  246    H    TYR  36           HN       TYR  36  -1.895  -5.695  -4.362
  247    HA   TYR  36           HA       TYR  36  -2.253  -7.436  -6.782
  248   1HB   TYR  36          HB2       TYR  36  -2.613  -4.818  -6.745
  249   2HB   TYR  36          HB1       TYR  36  -0.850  -4.780  -6.790
  250    HD1  TYR  36           HD1      TYR  36  -3.717  -4.802  -8.798
  251    HD2  TYR  36           HD2      TYR  36   0.199  -6.548  -8.539
  252    HE1  TYR  36           HE1      TYR  36  -3.759  -5.259 -11.236
  253    HE2  TYR  36           HE2      TYR  36   0.158  -7.003 -10.977
  254    HH   TYR  36           HH       TYR  36  -2.699  -6.190 -12.949
  255    H    ALA  37           HN       ALA  37  -0.589  -8.874  -7.005
  256    HA   ALA  37           HA       ALA  37   1.573  -9.814  -6.855
  257   1HB   ALA  37          HB1       ALA  37   2.736  -8.299  -8.065
  258   2HB   ALA  37          HB2       ALA  37   3.171  -7.520  -6.544
  259   3HB   ALA  37          HB3       ALA  37   1.754  -6.974  -7.442
  260    H    MET  38           HN       MET  38   0.147  -9.714  -4.431
  261    HA   MET  38           HA       MET  38   0.500  -9.927  -2.110
  262   1HB   MET  38          HB2       MET  38   3.374  -9.883  -3.087
  263   2HB   MET  38          HB1       MET  38   2.846 -10.450  -1.503
  264   1HG   MET  38          HG2       MET  38   1.195 -11.847  -3.222
  265   2HG   MET  38          HG1       MET  38   2.723 -11.805  -4.102
  266   1HE   MET  38          HE1       MET  38   2.100 -15.211  -2.457
  267   2HE   MET  38          HE2       MET  38   3.397 -14.781  -3.571
  268   3HE   MET  38          HE3       MET  38   1.781 -14.124  -3.815
  269    H    SER  39           HN       SER  39   0.912  -7.148  -3.693
  270    HA   SER  39           HA       SER  39   2.027  -5.707  -1.313
  271   1HB   SER  39          HB2       SER  39   1.920  -4.785  -4.197
  272   2HB   SER  39          HB1       SER  39   2.846  -4.071  -2.880
  273    HG   SER  39           HG       SER  39   3.667  -5.880  -4.546
  274    H    CYS  40           HN       CYS  40   0.656  -4.247  -0.354
  275    HA   CYS  40           HA       CYS  40  -2.116  -4.070  -1.261
  276   1HB   CYS  40          HB2       CYS  40  -1.063  -4.108   1.129
  277   2HB   CYS  40          HB1       CYS  40  -0.804  -2.383   0.867
  278    H    TYR  41           HN       TYR  41  -3.102  -2.263  -2.225
  279    HA   TYR  41           HA       TYR  41  -1.428   0.163  -2.694
  280   1HB   TYR  41          HB2       TYR  41  -1.166  -1.465  -4.572
  281   2HB   TYR  41          HB1       TYR  41  -2.911  -1.406  -4.828
  282    HD1  TYR  41           HD1      TYR  41  -4.001   0.654  -5.648
  283    HD2  TYR  41           HD2      TYR  41   0.256   0.399  -5.172
  284    HE1  TYR  41           HE1      TYR  41  -3.725   2.701  -7.023
  285    HE2  TYR  41           HE2      TYR  41   0.536   2.442  -6.550
  286    HH   TYR  41           HH       TYR  41  -0.538   3.828  -8.019
  287    H    CYS  42           HN       CYS  42  -2.668   1.911  -2.161
  288    HA   CYS  42           HA       CYS  42  -5.645   1.615  -2.275
  289   1HB   CYS  42          HB2       CYS  42  -3.956   3.621  -0.756
  290   2HB   CYS  42          HB1       CYS  42  -5.662   3.256  -0.504
  291    H    GLU  43           HN       GLU  43  -6.822   3.056  -3.517
  292    HA   GLU  43           HA       GLU  43  -5.264   5.027  -5.145
  293   1HB   GLU  43          HB2       GLU  43  -6.375   3.399  -6.491
  294   2HB   GLU  43          HB1       GLU  43  -7.841   3.484  -5.513
  295   1HG   GLU  43          HG2       GLU  43  -8.591   5.372  -6.557
  296   2HG   GLU  43          HG1       GLU  43  -6.968   6.041  -6.732
  297    H    GLY  44           HN       GLY  44  -5.396   7.007  -4.105
  298   1HA   GLY  44          HA2       GLY  44  -7.015   8.953  -3.968
  299   2HA   GLY  44          HA1       GLY  44  -8.095   7.846  -3.120
  300    H    LEU  45           HN       LEU  45  -4.804   7.361  -2.377
  301    HA   LEU  45           HA       LEU  45  -5.067   7.871   0.396
  302   1HB   LEU  45          HB2       LEU  45  -2.704   7.852  -1.503
  303   2HB   LEU  45          HB1       LEU  45  -2.527   7.909   0.250
  304    HG   LEU  45           HG       LEU  45  -4.275   5.792  -0.945
  305   1HD1  LEU  45          HD11      LEU  45  -2.520   4.442  -1.633
  306   2HD1  LEU  45          HD12      LEU  45  -1.357   5.236  -0.570
  307   3HD1  LEU  45          HD13      LEU  45  -1.871   6.025  -2.061
  308   1HD2  LEU  45          HD21      LEU  45  -3.404   4.547   1.020
  309   2HD2  LEU  45          HD22      LEU  45  -4.145   6.074   1.496
  310   3HD2  LEU  45          HD23      LEU  45  -2.389   5.930   1.431
  311    HA   PRO  46           HA       PRO  46  -4.608  12.220   0.782
  312   1HB   PRO  46          HB2       PRO  46  -3.035  12.421   3.016
  313   2HB   PRO  46          HB1       PRO  46  -4.741  11.939   3.077
  314   1HG   PRO  46          HG2       PRO  46  -2.296  10.259   3.226
  315   2HG   PRO  46          HG1       PRO  46  -3.835  10.094   4.084
  316   1HD   PRO  46          HD2       PRO  46  -3.127   8.580   1.918
  317   2HD   PRO  46          HD1       PRO  46  -4.808   8.929   2.379
  318    H    GLU  47           HN       GLU  47  -3.163  13.854   0.110
  319    HA   GLU  47           HA       GLU  47  -0.940  13.261  -1.472
  320   1HB   GLU  47          HB2       GLU  47  -2.337  15.449  -0.925
  321   2HB   GLU  47          HB1       GLU  47  -0.993  15.766   0.172
  322   1HG   GLU  47          HG2       GLU  47   0.597  15.739  -1.599
  323   2HG   GLU  47          HG1       GLU  47  -0.558  15.024  -2.724
  324    H    ASN  48           HN       ASN  48  -1.116  13.301   2.007
  325    HA   ASN  48           HA       ASN  48   1.868  13.292   2.192
  326   1HB   ASN  48          HB2       ASN  48   1.230  13.526   4.704
  327   2HB   ASN  48          HB1       ASN  48   0.955  14.908   3.645
  328   1HD2  ASN  48          HD21      ASN  48  -0.782  12.017   4.932
  329   2HD2  ASN  48          HD22      ASN  48  -2.299  12.776   4.987
  330    H    ALA  49           HN       ALA  49  -0.076  10.972   1.439
  331    HA   ALA  49           HA       ALA  49  -0.049   9.052   3.566
  332   1HB   ALA  49          HB1       ALA  49   0.196   8.336   0.655
  333   2HB   ALA  49          HB2       ALA  49  -1.244   9.183   1.219
  334   3HB   ALA  49          HB3       ALA  49  -0.827   7.607   1.893
  335    H    LYS  50           HN       LYS  50   1.402   7.179   3.760
  336    HA   LYS  50           HA       LYS  50   4.199   7.837   2.930
  337   1HB   LYS  50          HB2       LYS  50   3.459   7.516   5.364
  338   2HB   LYS  50          HB1       LYS  50   3.246   5.809   4.969
  339   1HG   LYS  50          HG2       LYS  50   5.528   5.473   4.599
  340   2HG   LYS  50          HG1       LYS  50   5.834   7.180   4.292
  341   1HD   LYS  50          HD2       LYS  50   5.097   7.506   6.776
  342   2HD   LYS  50          HD1       LYS  50   5.430   5.780   6.924
  343   1HE   LYS  50          HE2       LYS  50   7.456   7.684   5.722
  344   2HE   LYS  50          HE1       LYS  50   7.395   7.347   7.463
  345   1HZ   LYS  50          HZ1       LYS  50   8.152   5.278   7.170
  346   2HZ   LYS  50          HZ2       LYS  50   8.653   5.797   5.631
  347   3HZ   LYS  50          HZ3       LYS  50   7.167   4.995   5.819
  348    H    VAL  51           HN       VAL  51   3.594   6.956   0.714
  349    HA   VAL  51           HA       VAL  51   3.604   3.959   0.712
  350    HB   VAL  51           HB       VAL  51   2.471   4.216  -1.485
  351   1HG1  VAL  51          HG11      VAL  51   0.572   4.180  -0.279
  352   2HG1  VAL  51          HG12      VAL  51   0.658   5.932  -0.088
  353   3HG1  VAL  51          HG13      VAL  51   1.434   4.877   1.094
  354   1HG2  VAL  51          HG21      VAL  51   2.239   7.160  -0.869
  355   2HG2  VAL  51          HG22      VAL  51   1.953   6.329  -2.398
  356   3HG2  VAL  51          HG23      VAL  51   3.600   6.541  -1.805
  357    H    SER  52           HN       SER  52   4.709   3.037  -1.255
  358    HA   SER  52           HA       SER  52   7.302   4.403  -1.683
  359   1HB   SER  52          HB2       SER  52   6.983   1.962  -1.057
  360   2HB   SER  52          HB1       SER  52   6.301   1.714  -2.663
  361    HG   SER  52           HG       SER  52   8.253   1.712  -3.424
  362    H    ASP  53           HN       ASP  53   8.165   4.146  -4.043
  363    HA   ASP  53           HA       ASP  53   5.990   4.941  -5.954
  364   1HB   ASP  53          HB2       ASP  53   7.982   6.236  -7.002
  365   2HB   ASP  53          HB1       ASP  53   7.309   6.856  -5.495
  366    H    SER  54           HN       SER  54   7.190   2.225  -5.413
  367    HA   SER  54           HA       SER  54   7.765   1.536  -8.227
  368   1HB   SER  54          HB2       SER  54   9.961   0.663  -7.755
  369   2HB   SER  54          HB1       SER  54   9.911   2.289  -7.081
  370    HG   SER  54           HG       SER  54  10.726   0.476  -5.712
  371    H    ALA  55           HN       ALA  55   8.034  -0.947  -8.384
  372    HA   ALA  55           HA       ALA  55   5.996  -2.215  -6.666
  373   1HB   ALA  55          HB1       ALA  55   6.739  -2.379  -9.310
  374   2HB   ALA  55          HB2       ALA  55   5.749  -3.577  -8.477
  375   3HB   ALA  55          HB3       ALA  55   7.487  -3.827  -8.636
  376    H    THR  56           HN       THR  56   9.003  -1.519  -5.934
  377    HA   THR  56           HA       THR  56   9.419  -4.012  -4.381
  378    HB   THR  56           HB       THR  56  11.945  -3.532  -5.376
  379    HG1  THR  56           HG1      THR  56  10.326  -3.449  -7.646
  380   1HG2  THR  56          HG21      THR  56   9.754  -5.350  -6.399
  381   2HG2  THR  56          HG22      THR  56  10.983  -5.734  -5.194
  382   3HG2  THR  56          HG23      THR  56  11.445  -5.495  -6.879
  383    H    ASN  57           HN       ASN  57  10.420  -3.565  -2.414
  384    HA   ASN  57           HA       ASN  57  11.320  -0.734  -1.979
  385   1HB   ASN  57          HB2       ASN  57  10.437  -0.986   0.248
  386   2HB   ASN  57          HB1       ASN  57   9.218  -1.630  -0.852
  387   1HD2  ASN  57          HD21      ASN  57   8.423  -3.629  -0.218
  388   2HD2  ASN  57          HD22      ASN  57   9.282  -4.783   0.684
  389    H    ILE  58           HN       ILE  58  12.805  -0.778   0.169
  390    HA   ILE  58           HA       ILE  58  14.969  -2.758  -0.396
  391    HB   ILE  58           HB       ILE  58  15.062  -0.173   1.184
  392   1HG1  ILE  58          HG12      ILE  58  14.211   0.157  -1.160
  393   2HG1  ILE  58          HG11      ILE  58  15.769   0.929  -0.866
  394   1HG2  ILE  58          HG21      ILE  58  17.435  -0.300   0.789
  395   2HG2  ILE  58          HG22      ILE  58  17.232  -1.655  -0.322
  396   3HG2  ILE  58          HG23      ILE  58  16.924  -1.874   1.401
  397   1HD1  ILE  58          HD11      ILE  58  15.297  -0.694  -2.988
  398   2HD1  ILE  58          HD12      ILE  58  15.885  -1.877  -1.819
  399   3HD1  ILE  58          HD13      ILE  58  16.890  -0.496  -2.258
  400    H    CYS  59           HN       CYS  59  13.168  -4.098   1.030
  401    HA   CYS  59           HA       CYS  59  13.378  -3.646   3.917
  402   1HB   CYS  59          HB2       CYS  59  11.724  -5.039   2.105
  403   2HB   CYS  59          HB1       CYS  59  12.474  -6.281   3.104
  404    H    GLY  60           HN       GLY  60  14.146  -5.575   5.307
  405   1HA   GLY  60          HA2       GLY  60  16.895  -6.158   4.665
  406   2HA   GLY  60          HA1       GLY  60  15.993  -6.843   6.018
  Start of MODEL    2
    1   1H    LYS   1          HT1       LYS   1  -4.656  10.692  -4.414
    2   2H    LYS   1          HT2       LYS   1  -3.517  11.322  -3.321
    3   3H    LYS   1          HT3       LYS   1  -4.236   9.811  -3.027
    4    HA   LYS   1           HA       LYS   1  -2.880   9.983  -5.578
    5   1HB   LYS   1          HB2       LYS   1  -0.662  10.095  -4.610
    6   2HB   LYS   1          HB1       LYS   1  -1.574  11.476  -4.000
    7   1HG   LYS   1          HG2       LYS   1  -2.160  10.051  -1.978
    8   2HG   LYS   1          HG1       LYS   1  -0.971   8.885  -2.557
    9   1HD   LYS   1          HD2       LYS   1   0.662  10.894  -2.640
   10   2HD   LYS   1          HD1       LYS   1  -0.518  11.714  -1.617
   11   1HE   LYS   1          HE2       LYS   1  -0.400   9.670  -0.072
   12   2HE   LYS   1          HE1       LYS   1   1.037   9.189  -0.997
   13   1HZ   LYS   1          HZ1       LYS   1   2.039  11.312  -0.555
   14   2HZ   LYS   1          HZ2       LYS   1   1.576  10.618   0.926
   15   3HZ   LYS   1          HZ3       LYS   1   0.645  11.863   0.239
   16    H    ASP   2           HN       ASP   2  -2.189   7.871  -6.107
   17    HA   ASP   2           HA       ASP   2  -3.070   5.729  -4.219
   18   1HB   ASP   2          HB2       ASP   2  -2.267   5.498  -7.129
   19   2HB   ASP   2          HB1       ASP   2  -3.292   4.405  -6.200
   20    H    GLY   3           HN       GLY   3  -1.606   4.003  -3.698
   21   1HA   GLY   3          HA2       GLY   3   0.987   3.645  -4.790
   22   2HA   GLY   3          HA1       GLY   3   1.144   4.731  -3.412
   23    H    TYR   4           HN       TYR   4   2.442   2.908  -2.548
   24    HA   TYR   4           HA       TYR   4   0.771   0.669  -1.462
   25   1HB   TYR   4          HB2       TYR   4   3.785   0.975  -1.674
   26   2HB   TYR   4          HB1       TYR   4   2.907  -0.500  -1.274
   27    HD1  TYR   4           HD1      TYR   4   1.634  -1.718  -2.991
   28    HD2  TYR   4           HD2      TYR   4   3.884   1.811  -3.955
   29    HE1  TYR   4           HE1      TYR   4   1.474  -2.275  -5.401
   30    HE2  TYR   4           HE2      TYR   4   3.723   1.256  -6.367
   31    HH   TYR   4           HH       TYR   4   2.530  -0.038  -7.880
   32    HA   PRO   5           HA       PRO   5   1.228   2.767   2.426
   33   1HB   PRO   5          HB2       PRO   5   0.242   0.774   4.013
   34   2HB   PRO   5          HB1       PRO   5  -0.797   1.824   3.028
   35   1HG   PRO   5          HG2       PRO   5   0.139  -0.953   2.488
   36   2HG   PRO   5          HG1       PRO   5  -1.441  -0.217   2.181
   37   1HD   PRO   5          HD2       PRO   5   0.427  -0.600   0.239
   38   2HD   PRO   5          HD1       PRO   5  -0.771   0.712   0.194
   39    H    VAL   6           HN       VAL   6   2.913   2.802   3.916
   40    HA   VAL   6           HA       VAL   6   4.666   0.365   4.021
   41    HB   VAL   6           HB       VAL   6   6.502   2.047   4.357
   42   1HG1  VAL   6          HG11      VAL   6   6.773   2.332   2.085
   43   2HG1  VAL   6          HG12      VAL   6   5.103   2.847   1.845
   44   3HG1  VAL   6          HG13      VAL   6   5.475   1.138   2.068
   45   1HG2  VAL   6          HG21      VAL   6   4.282   3.772   4.747
   46   2HG2  VAL   6          HG22      VAL   6   5.088   4.309   3.273
   47   3HG2  VAL   6          HG23      VAL   6   5.993   4.199   4.783
   48    H    ASP   7           HN       ASP   7   6.044   0.353   6.074
   49    HA   ASP   7           HA       ASP   7   4.271   0.888   8.399
   50   1HB   ASP   7          HB2       ASP   7   5.870  -0.622   9.533
   51   2HB   ASP   7          HB1       ASP   7   5.285  -1.338   8.031
   52    H    SER   8           HN       SER   8   6.072   1.221  10.435
   53    HA   SER   8           HA       SER   8   6.710   3.982  10.395
   54   1HB   SER   8          HB2       SER   8   8.210   3.191  12.371
   55   2HB   SER   8          HB1       SER   8   6.477   2.891  12.475
   56    HG   SER   8           HG       SER   8   8.330   1.038  11.389
   57    H    LYS   9           HN       LYS   9   8.463   1.260   9.111
   58    HA   LYS   9           HA       LYS   9  11.001   2.795   8.948
   59   1HB   LYS   9          HB2       LYS   9  10.563   0.258   9.547
   60   2HB   LYS   9          HB1       LYS   9  10.524   0.064   7.794
   61   1HG   LYS   9          HG2       LYS   9  12.785  -0.168   8.057
   62   2HG   LYS   9          HG1       LYS   9  12.743   1.595   8.036
   63   1HD   LYS   9          HD2       LYS   9  13.670   1.558  10.089
   64   2HD   LYS   9          HD1       LYS   9  12.153   0.886  10.688
   65   1HE   LYS   9          HE2       LYS   9  13.258  -1.373   9.691
   66   2HE   LYS   9          HE1       LYS   9  14.733  -0.489  10.126
   67   1HZ   LYS   9          HZ1       LYS   9  14.315  -0.887  12.256
   68   2HZ   LYS   9          HZ2       LYS   9  12.911  -1.748  11.846
   69   3HZ   LYS   9          HZ3       LYS   9  12.829  -0.078  12.142
   70    H    GLY  10           HN       GLY  10   8.206   2.182   7.064
   71   1HA   GLY  10          HA2       GLY  10   7.777   3.258   4.956
   72   2HA   GLY  10          HA1       GLY  10   9.517   3.434   4.721
   73    H    CYS  11           HN       CYS  11   8.498   0.350   5.828
   74    HA   CYS  11           HA       CYS  11   9.356  -0.888   3.302
   75   1HB   CYS  11          HB2       CYS  11   8.537  -1.783   6.063
   76   2HB   CYS  11          HB1       CYS  11   8.740  -2.962   4.767
   77    H    LYS  12           HN       LYS  12   7.987  -1.836   1.802
   78    HA   LYS  12           HA       LYS  12   5.258  -1.095   1.591
   79   1HB   LYS  12          HB2       LYS  12   6.811  -3.436   0.441
   80   2HB   LYS  12          HB1       LYS  12   5.252  -2.875  -0.166
   81   1HG   LYS  12          HG2       LYS  12   6.683  -0.539  -0.109
   82   2HG   LYS  12          HG1       LYS  12   7.937  -1.709  -0.522
   83   1HD   LYS  12          HD2       LYS  12   6.057  -2.595  -2.190
   84   2HD   LYS  12          HD1       LYS  12   5.494  -0.928  -2.057
   85   1HE   LYS  12          HE2       LYS  12   7.185  -0.181  -3.371
   86   2HE   LYS  12          HE1       LYS  12   8.393  -1.062  -2.414
   87   1HZ   LYS  12          HZ1       LYS  12   8.410  -2.145  -4.465
   88   2HZ   LYS  12          HZ2       LYS  12   6.721  -2.065  -4.638
   89   3HZ   LYS  12          HZ3       LYS  12   7.413  -3.128  -3.508
   90    H    LEU  13           HN       LEU  13   3.330  -2.206   2.107
   91    HA   LEU  13           HA       LEU  13   3.547  -4.191   4.282
   92   1HB   LEU  13          HB2       LEU  13   1.991  -2.401   4.584
   93   2HB   LEU  13          HB1       LEU  13   1.322  -2.620   2.967
   94    HG   LEU  13           HG       LEU  13   0.426  -4.813   3.613
   95   1HD1  LEU  13          HD11      LEU  13   1.614  -4.151   6.325
   96   2HD1  LEU  13          HD12      LEU  13   2.162  -5.429   5.240
   97   3HD1  LEU  13          HD13      LEU  13   0.567  -5.529   5.985
   98   1HD2  LEU  13          HD21      LEU  13  -0.804  -2.608   4.093
   99   2HD2  LEU  13          HD22      LEU  13  -0.316  -2.831   5.773
  100   3HD2  LEU  13          HD23      LEU  13  -1.353  -4.024   4.991
  101    H    SER  14           HN       SER  14   3.777  -6.310   3.655
  102    HA   SER  14           HA       SER  14   3.182  -7.387   1.093
  103   1HB   SER  14          HB2       SER  14   3.332  -8.632   3.855
  104   2HB   SER  14          HB1       SER  14   3.321  -9.561   2.359
  105    HG   SER  14           HG       SER  14   5.397  -9.227   2.421
  106    H    CYS  15           HN       CYS  15   1.277  -8.144   0.202
  107    HA   CYS  15           HA       CYS  15  -1.140  -8.230   1.984
  108   1HB   CYS  15          HB2       CYS  15  -2.368  -7.289   0.106
  109   2HB   CYS  15          HB1       CYS  15  -0.942  -6.288   0.386
  110    H    VAL  16           HN       VAL  16  -2.416 -10.067   1.780
  111    HA   VAL  16           HA       VAL  16  -1.730 -11.991  -0.417
  112    HB   VAL  16           HB       VAL  16  -0.697 -12.634   1.719
  113   1HG1  VAL  16          HG11      VAL  16  -1.734 -12.315   3.692
  114   2HG1  VAL  16          HG12      VAL  16  -3.134 -13.251   3.166
  115   3HG1  VAL  16          HG13      VAL  16  -3.039 -11.527   2.806
  116   1HG2  VAL  16          HG21      VAL  16  -2.945 -14.542   1.710
  117   2HG2  VAL  16          HG22      VAL  16  -1.229 -14.825   1.417
  118   3HG2  VAL  16          HG23      VAL  16  -2.259 -14.231   0.115
  119    H    ALA  17           HN       ALA  17  -4.149 -10.245   1.249
  120    HA   ALA  17           HA       ALA  17  -6.270 -11.816  -0.155
  121   1HB   ALA  17          HB1       ALA  17  -5.924 -12.358   2.339
  122   2HB   ALA  17          HB2       ALA  17  -7.561 -11.918   1.852
  123   3HB   ALA  17          HB3       ALA  17  -6.533 -10.734   2.659
  124    H    ASN  18           HN       ASN  18  -7.278 -10.371  -1.490
  125    HA   ASN  18           HA       ASN  18  -6.973  -7.595  -1.576
  126   1HB   ASN  18          HB2       ASN  18  -9.290  -9.403  -2.312
  127   2HB   ASN  18          HB1       ASN  18  -9.194  -7.712  -2.804
  128   1HD2  ASN  18          HD21      ASN  18  -8.852 -10.504  -4.262
  129   2HD2  ASN  18          HD22      ASN  18  -7.464 -10.253  -5.206
  130    H    ASN  19           HN       ASN  19  -9.456  -9.440   0.215
  131    HA   ASN  19           HA       ASN  19 -11.029  -7.283   1.143
  132   1HB   ASN  19          HB2       ASN  19 -11.627  -8.893   2.947
  133   2HB   ASN  19          HB1       ASN  19 -11.591  -9.664   1.362
  134   1HD2  ASN  19          HD21      ASN  19 -10.712 -11.721   1.631
  135   2HD2  ASN  19          HD22      ASN  19  -9.337 -12.078   2.558
  136    H    TYR  20           HN       TYR  20  -7.853  -8.364   2.188
  137    HA   TYR  20           HA       TYR  20  -7.848  -6.989   4.743
  138   1HB   TYR  20          HB2       TYR  20  -6.354  -8.818   4.380
  139   2HB   TYR  20          HB1       TYR  20  -5.754  -8.122   2.876
  140    HD1  TYR  20           HD1      TYR  20  -6.387  -5.990   5.799
  141    HD2  TYR  20           HD2      TYR  20  -3.415  -8.217   3.640
  142    HE1  TYR  20           HE1      TYR  20  -4.597  -4.818   7.053
  143    HE2  TYR  20           HE2      TYR  20  -1.626  -7.046   4.894
  144    HH   TYR  20           HH       TYR  20  -1.269  -5.818   6.869
  145    H    CYS  21           HN       CYS  21  -6.043  -6.257   1.729
  146    HA   CYS  21           HA       CYS  21  -5.289  -3.605   2.502
  147   1HB   CYS  21          HB2       CYS  21  -5.531  -5.169  -0.061
  148   2HB   CYS  21          HB1       CYS  21  -5.081  -3.463  -0.108
  149    H    ASP  22           HN       ASP  22  -8.171  -4.918   0.961
  150    HA   ASP  22           HA       ASP  22  -9.284  -2.525  -0.108
  151   1HB   ASP  22          HB2       ASP  22 -10.040  -4.825  -0.578
  152   2HB   ASP  22          HB1       ASP  22 -10.595  -4.987   1.089
  153    H    ASN  23           HN       ASN  23 -10.322  -4.146   2.924
  154    HA   ASN  23           HA       ASN  23 -11.824  -1.968   3.939
  155   1HB   ASN  23          HB2       ASN  23 -11.773  -4.380   4.690
  156   2HB   ASN  23          HB1       ASN  23 -10.249  -4.031   5.508
  157   1HD2  ASN  23          HD21      ASN  23 -13.655  -3.946   5.877
  158   2HD2  ASN  23          HD22      ASN  23 -13.711  -3.003   7.287
  159    H    GLN  24           HN       GLN  24  -8.370  -2.757   4.360
  160    HA   GLN  24           HA       GLN  24  -7.773  -0.728   6.291
  161   1HB   GLN  24          HB2       GLN  24  -6.407  -2.745   5.566
  162   2HB   GLN  24          HB1       GLN  24  -5.969  -1.833   4.121
  163   1HG   GLN  24          HG2       GLN  24  -4.202  -1.408   5.644
  164   2HG   GLN  24          HG1       GLN  24  -5.221   0.028   5.738
  165   1HE2  GLN  24          HE21      GLN  24  -4.759   0.546   7.959
  166   2HE2  GLN  24          HE22      GLN  24  -5.220  -0.460   9.247
  167    H    CYS  25           HN       CYS  25  -6.932  -0.691   2.795
  168    HA   CYS  25           HA       CYS  25  -6.128   1.933   2.486
  169   1HB   CYS  25          HB2       CYS  25  -7.944   0.249   0.730
  170   2HB   CYS  25          HB1       CYS  25  -7.127   1.712   0.180
  171    H    LYS  26           HN       LYS  26  -9.541   0.836   2.259
  172    HA   LYS  26           HA       LYS  26 -10.850   3.263   1.897
  173   1HB   LYS  26          HB2       LYS  26 -11.694   0.825   2.225
  174   2HB   LYS  26          HB1       LYS  26 -11.745   1.227   3.943
  175   1HG   LYS  26          HG2       LYS  26 -13.782   2.119   3.567
  176   2HG   LYS  26          HG1       LYS  26 -12.965   3.406   2.679
  177   1HD   LYS  26          HD2       LYS  26 -13.193   2.214   0.595
  178   2HD   LYS  26          HD1       LYS  26 -13.785   0.775   1.425
  179   1HE   LYS  26          HE2       LYS  26 -15.772   1.794   0.638
  180   2HE   LYS  26          HE1       LYS  26 -15.671   2.377   2.311
  181   1HZ   LYS  26          HZ1       LYS  26 -15.848   4.359   1.216
  182   2HZ   LYS  26          HZ2       LYS  26 -15.080   3.791  -0.190
  183   3HZ   LYS  26          HZ3       LYS  26 -14.162   4.183   1.186
  184    H    MET  27           HN       MET  27  -9.892   1.849   5.047
  185    HA   MET  27           HA       MET  27 -10.696   4.019   6.698
  186   1HB   MET  27          HB2       MET  27  -8.742   1.752   6.803
  187   2HB   MET  27          HB1       MET  27  -8.634   2.990   8.055
  188   1HG   MET  27          HG2       MET  27 -11.280   2.617   8.117
  189   2HG   MET  27          HG1       MET  27 -10.814   1.026   7.514
  190   1HE   MET  27          HE1       MET  27  -9.970  -0.939  10.200
  191   2HE   MET  27          HE2       MET  27  -8.596  -0.475   9.200
  192   3HE   MET  27          HE3       MET  27 -10.194  -0.621   8.475
  193    H    LYS  28           HN       LYS  28  -8.026   3.671   4.504
  194    HA   LYS  28           HA       LYS  28  -6.552   5.972   5.674
  195   1HB   LYS  28          HB2       LYS  28  -6.036   4.041   3.390
  196   2HB   LYS  28          HB1       LYS  28  -4.911   5.309   3.879
  197   1HG   LYS  28          HG2       LYS  28  -5.438   4.112   6.281
  198   2HG   LYS  28          HG1       LYS  28  -5.525   2.734   5.183
  199   1HD   LYS  28          HD2       LYS  28  -3.307   2.997   4.471
  200   2HD   LYS  28          HD1       LYS  28  -3.242   4.685   4.985
  201   1HE   LYS  28          HE2       LYS  28  -3.829   3.199   7.321
  202   2HE   LYS  28          HE1       LYS  28  -2.521   2.328   6.494
  203   1HZ   LYS  28          HZ1       LYS  28  -2.497   5.275   6.744
  204   2HZ   LYS  28          HZ2       LYS  28  -1.200   4.230   6.410
  205   3HZ   LYS  28          HZ3       LYS  28  -1.865   4.288   7.971
  206    H    LYS  29           HN       LYS  29  -9.204   6.384   4.441
  207    HA   LYS  29           HA       LYS  29 -10.223   7.931   3.001
  208   1HB   LYS  29          HB2       LYS  29  -8.238   9.176   4.082
  209   2HB   LYS  29          HB1       LYS  29  -7.422   8.944   2.534
  210   1HG   LYS  29          HG2       LYS  29  -8.501  10.752   1.779
  211   2HG   LYS  29          HG1       LYS  29 -10.000   9.837   1.879
  212   1HD   LYS  29          HD2       LYS  29  -8.783  11.525   4.086
  213   2HD   LYS  29          HD1       LYS  29 -10.225  11.917   3.147
  214   1HE   LYS  29          HE2       LYS  29 -11.343   9.880   4.023
  215   2HE   LYS  29          HE1       LYS  29  -9.906   9.531   5.004
  216   1HZ   LYS  29          HZ1       LYS  29 -11.776  10.921   6.055
  217   2HZ   LYS  29          HZ2       LYS  29 -11.184  12.189   5.092
  218   3HZ   LYS  29          HZ3       LYS  29 -10.177  11.452   6.245
  219    H    ALA  30           HN       ALA  30  -8.582   5.403   1.943
  220    HA   ALA  30           HA       ALA  30  -8.252   6.273  -0.886
  221   1HB   ALA  30          HB1       ALA  30  -7.758   3.477  -0.373
  222   2HB   ALA  30          HB2       ALA  30  -6.991   4.449   0.884
  223   3HB   ALA  30          HB3       ALA  30  -6.602   4.734  -0.813
  224    H    SER  31           HN       SER  31  -9.330   5.030  -2.590
  225    HA   SER  31           HA       SER  31 -11.909   3.801  -1.670
  226   1HB   SER  31          HB2       SER  31 -12.545   5.690  -2.854
  227   2HB   SER  31          HB1       SER  31 -11.102   5.668  -3.864
  228    HG   SER  31           HG       SER  31 -13.047   3.630  -4.022
  229    H    GLY  32           HN       GLY  32  -9.022   3.398  -3.573
  230   1HA   GLY  32          HA2       GLY  32 -10.081   0.786  -4.582
  231   2HA   GLY  32          HA1       GLY  32  -8.876   1.741  -5.449
  232    H    GLY  33           HN       GLY  33  -9.414  -0.179  -2.521
  233   1HA   GLY  33          HA2       GLY  33  -6.445  -0.399  -2.236
  234   2HA   GLY  33          HA1       GLY  33  -7.579  -0.591  -0.898
  235    H    HIS  34           HN       HIS  34  -5.620  -2.326  -2.850
  236    HA   HIS  34           HA       HIS  34  -7.040  -4.835  -2.258
  237   1HB   HIS  34          HB2       HIS  34  -7.164  -5.472  -4.642
  238   2HB   HIS  34          HB1       HIS  34  -8.074  -3.992  -4.344
  239    HD1  HIS  34           HD1      HIS  34  -7.501  -2.050  -5.802
  240    HD2  HIS  34           HD2      HIS  34  -4.411  -4.846  -5.682
  241    HE1  HIS  34           HE1      HIS  34  -5.743  -1.243  -7.436
  242    H    CYS  35           HN       CYS  35  -5.641  -6.731  -2.910
  243    HA   CYS  35           HA       CYS  35  -2.810  -6.103  -2.392
  244   1HB   CYS  35          HB2       CYS  35  -3.945  -7.950  -1.259
  245   2HB   CYS  35          HB1       CYS  35  -4.373  -8.673  -2.810
  246    H    TYR  36           HN       TYR  36  -1.747  -5.350  -4.231
  247    HA   TYR  36           HA       TYR  36  -2.062  -6.960  -6.747
  248   1HB   TYR  36          HB2       TYR  36  -2.366  -4.180  -6.159
  249   2HB   TYR  36          HB1       TYR  36  -0.944  -4.354  -7.189
  250    HD1  TYR  36           HD1      TYR  36  -1.531  -3.861  -9.397
  251    HD2  TYR  36           HD2      TYR  36  -4.176  -6.251  -7.000
  252    HE1  TYR  36           HE1      TYR  36  -2.998  -4.214 -11.365
  253    HE2  TYR  36           HE2      TYR  36  -5.643  -6.603  -8.968
  254    HH   TYR  36           HH       TYR  36  -5.115  -4.881 -11.983
  255    H    ALA  37           HN       ALA  37  -0.159  -7.761  -7.647
  256    HA   ALA  37           HA       ALA  37   2.134  -8.333  -7.773
  257   1HB   ALA  37          HB1       ALA  37   3.147  -6.384  -8.301
  258   2HB   ALA  37          HB2       ALA  37   3.220  -5.951  -6.593
  259   3HB   ALA  37          HB3       ALA  37   1.811  -5.506  -7.556
  260    H    MET  38           HN       MET  38   0.532  -8.710  -5.199
  261    HA   MET  38           HA       MET  38   1.030  -9.679  -3.094
  262   1HB   MET  38          HB2       MET  38   3.312  -9.984  -4.746
  263   2HB   MET  38          HB1       MET  38   3.909  -9.429  -3.181
  264   1HG   MET  38          HG2       MET  38   1.832 -11.587  -3.237
  265   2HG   MET  38          HG1       MET  38   3.499 -12.010  -3.624
  266   1HE   MET  38          HE1       MET  38   3.208 -13.578  -2.071
  267   2HE   MET  38          HE2       MET  38   2.628 -13.405  -0.417
  268   3HE   MET  38          HE3       MET  38   4.357 -13.348  -0.746
  269    H    SER  39           HN       SER  39   1.303  -6.599  -3.903
  270    HA   SER  39           HA       SER  39   2.378  -5.768  -1.226
  271   1HB   SER  39          HB2       SER  39   2.673  -4.565  -3.988
  272   2HB   SER  39          HB1       SER  39   3.047  -3.662  -2.523
  273    HG   SER  39           HG       SER  39   4.341  -5.706  -2.048
  274    H    CYS  40           HN       CYS  40   0.991  -4.437  -0.059
  275    HA   CYS  40           HA       CYS  40  -1.739  -4.136  -0.806
  276   1HB   CYS  40          HB2       CYS  40  -0.359  -3.922   1.450
  277   2HB   CYS  40          HB1       CYS  40  -0.371  -2.206   1.038
  278    H    TYR  41           HN       TYR  41  -2.814  -2.520  -1.945
  279    HA   TYR  41           HA       TYR  41  -1.270  -0.077  -2.718
  280   1HB   TYR  41          HB2       TYR  41  -1.115  -1.962  -4.404
  281   2HB   TYR  41          HB1       TYR  41  -2.859  -1.826  -4.616
  282    HD1  TYR  41           HD1      TYR  41  -3.702  -0.353  -6.221
  283    HD2  TYR  41           HD2      TYR  41   0.238   0.289  -4.635
  284    HE1  TYR  41           HE1      TYR  41  -3.360   1.509  -7.823
  285    HE2  TYR  41           HE2      TYR  41   0.579   2.152  -6.236
  286    HH   TYR  41           HH       TYR  41  -1.444   2.678  -8.896
  287    H    CYS  42           HN       CYS  42  -2.573   1.536  -1.877
  288    HA   CYS  42           HA       CYS  42  -5.535   1.220  -2.025
  289   1HB   CYS  42          HB2       CYS  42  -3.854   3.329  -0.639
  290   2HB   CYS  42          HB1       CYS  42  -5.547   2.949  -0.333
  291    H    GLU  43           HN       GLU  43  -6.813   2.966  -2.936
  292    HA   GLU  43           HA       GLU  43  -5.286   4.743  -4.814
  293   1HB   GLU  43          HB2       GLU  43  -6.478   2.815  -5.865
  294   2HB   GLU  43          HB1       GLU  43  -7.991   3.416  -5.186
  295   1HG   GLU  43          HG2       GLU  43  -7.615   5.576  -6.400
  296   2HG   GLU  43          HG1       GLU  43  -6.206   4.849  -7.173
  297    H    GLY  44           HN       GLY  44  -5.455   6.762  -3.859
  298   1HA   GLY  44          HA2       GLY  44  -7.078   8.689  -3.824
  299   2HA   GLY  44          HA1       GLY  44  -8.187   7.608  -2.981
  300    H    LEU  45           HN       LEU  45  -4.874   7.277  -2.114
  301    HA   LEU  45           HA       LEU  45  -5.333   7.909   0.636
  302   1HB   LEU  45          HB2       LEU  45  -2.878   7.655  -1.115
  303   2HB   LEU  45          HB1       LEU  45  -2.767   7.912   0.626
  304    HG   LEU  45           HG       LEU  45  -4.352   5.657  -0.626
  305   1HD1  LEU  45          HD11      LEU  45  -1.471   5.954  -0.106
  306   2HD1  LEU  45          HD12      LEU  45  -2.318   4.777  -1.110
  307   3HD1  LEU  45          HD13      LEU  45  -2.184   4.518   0.629
  308   1HD2  LEU  45          HD21      LEU  45  -3.847   6.664   2.104
  309   2HD2  LEU  45          HD22      LEU  45  -3.624   4.925   1.916
  310   3HD2  LEU  45          HD23      LEU  45  -5.170   5.666   1.501
  311    HA   PRO  46           HA       PRO  46  -4.934  12.276   0.735
  312   1HB   PRO  46          HB2       PRO  46  -3.686  12.648   3.142
  313   2HB   PRO  46          HB1       PRO  46  -5.384  12.151   3.002
  314   1HG   PRO  46          HG2       PRO  46  -2.975  10.507   3.589
  315   2HG   PRO  46          HG1       PRO  46  -4.611  10.393   4.256
  316   1HD   PRO  46          HD2       PRO  46  -3.646   8.728   2.318
  317   2HD   PRO  46          HD1       PRO  46  -5.369   9.112   2.520
  318    H    GLU  47           HN       GLU  47  -3.274  14.051   0.808
  319    HA   GLU  47           HA       GLU  47  -0.869  13.327  -0.632
  320   1HB   GLU  47          HB2       GLU  47  -1.993  15.432  -1.006
  321   2HB   GLU  47          HB1       GLU  47  -1.890  15.851   0.704
  322   1HG   GLU  47          HG2       GLU  47   0.605  15.845   0.505
  323   2HG   GLU  47          HG1       GLU  47   0.430  15.569  -1.228
  324    H    ASN  48           HN       ASN  48  -1.629  13.174   2.664
  325    HA   ASN  48           HA       ASN  48   1.245  13.531   3.444
  326   1HB   ASN  48          HB2       ASN  48   0.097  13.700   5.777
  327   2HB   ASN  48          HB1       ASN  48  -0.064  15.061   4.668
  328   1HD2  ASN  48          HD21      ASN  48  -1.789  11.931   5.260
  329   2HD2  ASN  48          HD22      ASN  48  -3.342  12.604   5.138
  330    H    ALA  49           HN       ALA  49  -0.534  11.071   2.460
  331    HA   ALA  49           HA       ALA  49  -0.412   9.221   4.707
  332   1HB   ALA  49          HB1       ALA  49  -0.493   8.316   1.865
  333   2HB   ALA  49          HB2       ALA  49  -1.807   9.354   2.416
  334   3HB   ALA  49          HB3       ALA  49  -1.497   7.818   3.227
  335    H    LYS  50           HN       LYS  50   1.031   7.349   4.787
  336    HA   LYS  50           HA       LYS  50   3.740   7.974   3.720
  337   1HB   LYS  50          HB2       LYS  50   3.077   7.446   6.182
  338   2HB   LYS  50          HB1       LYS  50   2.980   5.770   5.638
  339   1HG   LYS  50          HG2       LYS  50   5.205   5.927   6.352
  340   2HG   LYS  50          HG1       LYS  50   5.346   6.234   4.620
  341   1HD   LYS  50          HD2       LYS  50   5.428   8.623   4.978
  342   2HD   LYS  50          HD1       LYS  50   5.057   8.426   6.691
  343   1HE   LYS  50          HE2       LYS  50   7.589   7.568   5.254
  344   2HE   LYS  50          HE1       LYS  50   7.437   8.750   6.570
  345   1HZ   LYS  50          HZ1       LYS  50   6.239   6.711   7.704
  346   2HZ   LYS  50          HZ2       LYS  50   7.924   6.912   7.795
  347   3HZ   LYS  50          HZ3       LYS  50   7.253   5.831   6.669
  348    H    VAL  51           HN       VAL  51   4.040   7.081   1.697
  349    HA   VAL  51           HA       VAL  51   3.456   4.172   1.387
  350    HB   VAL  51           HB       VAL  51   2.497   4.741  -0.875
  351   1HG1  VAL  51          HG11      VAL  51   1.113   6.059   1.480
  352   2HG1  VAL  51          HG12      VAL  51   1.066   4.333   1.120
  353   3HG1  VAL  51          HG13      VAL  51   0.340   5.488   0.001
  354   1HG2  VAL  51          HG21      VAL  51   3.679   7.166  -0.494
  355   2HG2  VAL  51          HG22      VAL  51   2.024   7.537  -0.011
  356   3HG2  VAL  51          HG23      VAL  51   2.350   6.897  -1.622
  357    H    SER  52           HN       SER  52   4.545   3.320  -0.643
  358    HA   SER  52           HA       SER  52   7.267   4.462  -0.865
  359   1HB   SER  52          HB2       SER  52   7.362   2.159  -0.621
  360   2HB   SER  52          HB1       SER  52   5.837   1.907  -1.465
  361    HG   SER  52           HG       SER  52   8.188   1.572  -2.456
  362    H    ASP  53           HN       ASP  53   8.098   5.312  -2.812
  363    HA   ASP  53           HA       ASP  53   6.088   5.749  -4.994
  364   1HB   ASP  53          HB2       ASP  53   7.476   7.749  -5.479
  365   2HB   ASP  53          HB1       ASP  53   6.916   7.748  -3.806
  366    H    SER  54           HN       SER  54   7.587   3.294  -4.869
  367    HA   SER  54           HA       SER  54   9.008   3.482  -7.461
  368   1HB   SER  54          HB2       SER  54  11.081   2.672  -6.564
  369   2HB   SER  54          HB1       SER  54  10.580   3.991  -5.511
  370    HG   SER  54           HG       SER  54  10.956   2.426  -4.092
  371    H    ALA  55           HN       ALA  55   8.473   1.679  -8.635
  372    HA   ALA  55           HA       ALA  55   6.985  -0.506  -7.355
  373   1HB   ALA  55          HB1       ALA  55   7.859   0.170 -10.176
  374   2HB   ALA  55          HB2       ALA  55   6.243   0.321  -9.486
  375   3HB   ALA  55          HB3       ALA  55   6.927  -1.276  -9.788
  376    H    THR  56           HN       THR  56  10.203   0.094  -7.426
  377    HA   THR  56           HA       THR  56  10.849  -2.817  -7.399
  378    HB   THR  56           HB       THR  56  12.882  -2.235  -8.809
  379    HG1  THR  56           HG1      THR  56  11.544  -0.012  -9.758
  380   1HG2  THR  56          HG21      THR  56  10.358  -2.959  -9.553
  381   2HG2  THR  56          HG22      THR  56  11.718  -2.836 -10.669
  382   3HG2  THR  56          HG23      THR  56  10.584  -1.495 -10.510
  383    H    ASN  57           HN       ASN  57  10.867  -2.128  -5.015
  384    HA   ASN  57           HA       ASN  57  13.634  -1.500  -4.238
  385   1HB   ASN  57          HB2       ASN  57  13.147   0.557  -3.153
  386   2HB   ASN  57          HB1       ASN  57  12.292   0.668  -4.691
  387   1HD2  ASN  57          HD21      ASN  57  11.867   1.220  -1.433
  388   2HD2  ASN  57          HD22      ASN  57  10.181   1.040  -1.337
  389    H    ILE  58           HN       ILE  58  14.017  -2.977  -2.644
  390    HA   ILE  58           HA       ILE  58  11.755  -3.705  -0.811
  391    HB   ILE  58           HB       ILE  58  14.083  -5.235  -1.989
  392   1HG1  ILE  58          HG12      ILE  58  11.250  -6.193  -1.827
  393   2HG1  ILE  58          HG11      ILE  58  11.637  -4.927  -2.993
  394   1HG2  ILE  58          HG21      ILE  58  14.222  -6.442  -0.092
  395   2HG2  ILE  58          HG22      ILE  58  12.559  -6.964  -0.366
  396   3HG2  ILE  58          HG23      ILE  58  12.886  -5.544   0.629
  397   1HD1  ILE  58          HD11      ILE  58  13.546  -7.182  -2.928
  398   2HD1  ILE  58          HD12      ILE  58  12.852  -6.335  -4.310
  399   3HD1  ILE  58          HD13      ILE  58  11.928  -7.595  -3.493
  400    H    CYS  59           HN       CYS  59  12.230  -3.767   1.430
  401    HA   CYS  59           HA       CYS  59  14.840  -2.515   2.203
  402   1HB   CYS  59          HB2       CYS  59  13.563  -1.753   4.180
  403   2HB   CYS  59          HB1       CYS  59  12.753  -1.269   2.690
  404    H    GLY  60           HN       GLY  60  16.071  -3.505   3.849
  405   1HA   GLY  60          HA2       GLY  60  15.077  -5.723   5.425
  406   2HA   GLY  60          HA1       GLY  60  16.117  -6.278   4.111
  Start of MODEL    3
    1   1H    LYS   1          HT1       LYS   1  -3.451  10.521  -2.676
    2   2H    LYS   1          HT2       LYS   1  -4.093  11.477  -3.924
    3   3H    LYS   1          HT3       LYS   1  -2.667  11.953  -3.135
    4    HA   LYS   1           HA       LYS   1  -2.691  10.662  -5.480
    5   1HB   LYS   1          HB2       LYS   1  -0.315  10.288  -4.928
    6   2HB   LYS   1          HB1       LYS   1  -0.855  11.846  -4.299
    7   1HG   LYS   1          HG2       LYS   1  -1.233  10.803  -2.081
    8   2HG   LYS   1          HG1       LYS   1  -0.635   9.269  -2.714
    9   1HD   LYS   1          HD2       LYS   1   1.471  10.658  -3.398
   10   2HD   LYS   1          HD1       LYS   1   0.877  11.822  -2.213
   11   1HE   LYS   1          HE2       LYS   1   0.675   9.324  -0.929
   12   2HE   LYS   1          HE1       LYS   1   2.252   9.309  -1.744
   13   1HZ   LYS   1          HZ1       LYS   1   2.676  11.529  -0.851
   14   2HZ   LYS   1          HZ2       LYS   1   2.431  10.404   0.399
   15   3HZ   LYS   1          HZ3       LYS   1   1.197  11.493  -0.024
   16    H    ASP   2           HN       ASP   2  -1.660   8.458  -5.978
   17    HA   ASP   2           HA       ASP   2  -2.931   6.358  -4.255
   18   1HB   ASP   2          HB2       ASP   2  -2.062   6.078  -7.136
   19   2HB   ASP   2          HB1       ASP   2  -3.288   5.153  -6.269
   20    H    GLY   3           HN       GLY   3  -1.664   4.368  -3.947
   21   1HA   GLY   3          HA2       GLY   3   0.885   3.786  -4.907
   22   2HA   GLY   3          HA1       GLY   3   1.165   4.895  -3.568
   23    H    TYR   4           HN       TYR   4   2.268   3.004  -2.622
   24    HA   TYR   4           HA       TYR   4   0.355   1.047  -1.392
   25   1HB   TYR   4          HB2       TYR   4   3.348   0.797  -1.822
   26   2HB   TYR   4          HB1       TYR   4   2.227  -0.490  -1.376
   27    HD1  TYR   4           HD1      TYR   4   1.188  -1.782  -3.033
   28    HD2  TYR   4           HD2      TYR   4   2.915   2.011  -4.079
   29    HE1  TYR   4           HE1      TYR   4   0.758  -2.248  -5.430
   30    HE2  TYR   4           HE2      TYR   4   2.485   1.545  -6.478
   31    HH   TYR   4           HH       TYR   4   1.132  -1.573  -7.528
   32    HA   PRO   5           HA       PRO   5   1.498   3.283   2.294
   33   1HB   PRO   5          HB2       PRO   5   0.012   1.773   4.024
   34   2HB   PRO   5          HB1       PRO   5  -0.691   3.028   2.984
   35   1HG   PRO   5          HG2       PRO   5  -0.653   0.073   2.621
   36   2HG   PRO   5          HG1       PRO   5  -1.943   1.236   2.277
   37   1HD   PRO   5          HD2       PRO   5  -0.332   0.179   0.353
   38   2HD   PRO   5          HD1       PRO   5  -1.082   1.786   0.226
   39    H    VAL   6           HN       VAL   6   3.112   2.939   3.804
   40    HA   VAL   6           HA       VAL   6   4.286   0.185   3.944
   41    HB   VAL   6           HB       VAL   6   6.306   1.542   4.721
   42   1HG1  VAL   6          HG11      VAL   6   6.035   0.738   2.393
   43   2HG1  VAL   6          HG12      VAL   6   6.839   2.306   2.443
   44   3HG1  VAL   6          HG13      VAL   6   5.136   2.204   1.999
   45   1HG2  VAL   6          HG21      VAL   6   6.273   3.903   4.537
   46   2HG2  VAL   6          HG22      VAL   6   4.744   3.519   5.329
   47   3HG2  VAL   6          HG23      VAL   6   4.776   3.895   3.607
   48    H    ASP   7           HN       ASP   7   5.351  -0.271   6.147
   49    HA   ASP   7           HA       ASP   7   3.409   0.454   8.287
   50   1HB   ASP   7          HB2       ASP   7   4.506  -1.480   9.433
   51   2HB   ASP   7          HB1       ASP   7   3.872  -1.910   7.845
   52    H    SER   8           HN       SER   8   4.646   0.452  10.568
   53    HA   SER   8           HA       SER   8   6.075   2.852  10.844
   54   1HB   SER   8          HB2       SER   8   6.905   1.534  12.991
   55   2HB   SER   8          HB1       SER   8   5.202   1.939  12.802
   56    HG   SER   8           HG       SER   8   4.856  -0.124  12.856
   57    H    LYS   9           HN       LYS   9   7.219  -0.238   9.724
   58    HA   LYS   9           HA       LYS   9  10.046   0.273  10.296
   59   1HB   LYS   9          HB2       LYS   9   9.177  -1.990  10.218
   60   2HB   LYS   9          HB1       LYS   9   8.534  -1.732   8.596
   61   1HG   LYS   9          HG2       LYS   9  10.578  -1.969   7.598
   62   2HG   LYS   9          HG1       LYS   9  11.434  -1.203   8.937
   63   1HD   LYS   9          HD2       LYS   9  11.945  -3.207   9.822
   64   2HD   LYS   9          HD1       LYS   9  10.246  -3.681   9.824
   65   1HE   LYS   9          HE2       LYS   9  10.404  -4.426   7.499
   66   2HE   LYS   9          HE1       LYS   9  12.081  -3.853   7.406
   67   1HZ   LYS   9          HZ1       LYS   9  12.433  -6.008   8.040
   68   2HZ   LYS   9          HZ2       LYS   9  10.974  -6.122   8.902
   69   3HZ   LYS   9          HZ3       LYS   9  12.296  -5.289   9.569
   70    H    GLY  10           HN       GLY  10   7.893   0.512   7.459
   71   1HA   GLY  10          HA2       GLY  10   8.364   2.384   5.879
   72   2HA   GLY  10          HA1       GLY  10  10.079   2.028   6.087
   73    H    CYS  11           HN       CYS  11   7.851  -0.625   5.884
   74    HA   CYS  11           HA       CYS  11   8.847  -1.190   3.108
   75   1HB   CYS  11          HB2       CYS  11   8.108  -3.057   5.386
   76   2HB   CYS  11          HB1       CYS  11   8.705  -3.563   3.806
   77    H    LYS  12           HN       LYS  12   7.296  -1.866   1.592
   78    HA   LYS  12           HA       LYS  12   4.662  -1.010   1.659
   79   1HB   LYS  12          HB2       LYS  12   6.146  -3.235   0.305
   80   2HB   LYS  12          HB1       LYS  12   4.398  -3.142   0.088
   81   1HG   LYS  12          HG2       LYS  12   4.617  -1.437  -1.365
   82   2HG   LYS  12          HG1       LYS  12   5.565  -0.515  -0.198
   83   1HD   LYS  12          HD2       LYS  12   6.903  -0.908  -2.208
   84   2HD   LYS  12          HD1       LYS  12   7.585  -1.812  -0.856
   85   1HE   LYS  12          HE2       LYS  12   7.528  -3.551  -2.367
   86   2HE   LYS  12          HE1       LYS  12   5.835  -3.661  -1.849
   87   1HZ   LYS  12          HZ1       LYS  12   6.040  -1.587  -3.719
   88   2HZ   LYS  12          HZ2       LYS  12   5.208  -3.059  -3.878
   89   3HZ   LYS  12          HZ3       LYS  12   6.826  -2.938  -4.378
   90    H    LEU  13           HN       LEU  13   2.702  -1.844   2.432
   91    HA   LEU  13           HA       LEU  13   2.850  -3.791   4.611
   92   1HB   LEU  13          HB2       LEU  13   1.432  -1.633   4.336
   93   2HB   LEU  13          HB1       LEU  13   0.366  -2.635   3.350
   94    HG   LEU  13           HG       LEU  13   0.295  -4.278   5.281
   95   1HD1  LEU  13          HD11      LEU  13   2.408  -2.853   6.240
   96   2HD1  LEU  13          HD12      LEU  13   1.365  -3.852   7.252
   97   3HD1  LEU  13          HD13      LEU  13   1.086  -2.114   7.143
   98   1HD2  LEU  13          HD21      LEU  13  -0.704  -1.458   5.797
   99   2HD2  LEU  13          HD22      LEU  13  -1.319  -2.919   6.570
  100   3HD2  LEU  13          HD23      LEU  13  -1.535  -2.682   4.837
  101    H    SER  14           HN       SER  14   3.356  -5.815   3.627
  102    HA   SER  14           HA       SER  14   2.409  -7.014   1.323
  103   1HB   SER  14          HB2       SER  14   2.400  -8.536   3.912
  104   2HB   SER  14          HB1       SER  14   3.071  -9.007   2.353
  105    HG   SER  14           HG       SER  14   4.825  -8.412   3.458
  106    H    CYS  15           HN       CYS  15   0.466  -7.900   0.629
  107    HA   CYS  15           HA       CYS  15  -1.845  -7.783   2.545
  108   1HB   CYS  15          HB2       CYS  15  -3.174  -7.320   0.457
  109   2HB   CYS  15          HB1       CYS  15  -1.972  -6.078   0.805
  110    H    VAL  16           HN       VAL  16  -3.137  -9.646   2.641
  111    HA   VAL  16           HA       VAL  16  -2.239 -11.951   0.945
  112    HB   VAL  16           HB       VAL  16  -1.954 -11.875   3.513
  113   1HG1  VAL  16          HG11      VAL  16  -3.875 -12.291   4.866
  114   2HG1  VAL  16          HG12      VAL  16  -4.893 -12.587   3.457
  115   3HG1  VAL  16          HG13      VAL  16  -4.326 -10.955   3.807
  116   1HG2  VAL  16          HG21      VAL  16  -2.415 -14.243   3.696
  117   2HG2  VAL  16          HG22      VAL  16  -1.861 -13.927   2.051
  118   3HG2  VAL  16          HG23      VAL  16  -3.578 -14.167   2.373
  119    H    ALA  17           HN       ALA  17  -4.770  -9.769   1.396
  120    HA   ALA  17           HA       ALA  17  -6.594 -11.449  -0.227
  121   1HB   ALA  17          HB1       ALA  17  -7.493 -12.153   1.770
  122   2HB   ALA  17          HB2       ALA  17  -8.347 -10.615   1.656
  123   3HB   ALA  17          HB3       ALA  17  -6.896 -10.746   2.649
  124    H    ASN  18           HN       ASN  18  -8.622 -10.075  -0.773
  125    HA   ASN  18           HA       ASN  18  -7.706  -7.385  -1.567
  126   1HB   ASN  18          HB2       ASN  18  -9.910  -9.299  -2.212
  127   2HB   ASN  18          HB1       ASN  18 -10.195  -7.590  -2.543
  128   1HD2  ASN  18          HD21      ASN  18  -9.931  -9.537  -4.654
  129   2HD2  ASN  18          HD22      ASN  18  -8.516  -9.182  -5.521
  130    H    ASN  19           HN       ASN  19 -10.584  -8.708   0.124
  131    HA   ASN  19           HA       ASN  19 -11.811  -6.346   0.948
  132   1HB   ASN  19          HB2       ASN  19 -12.656  -7.739   2.819
  133   2HB   ASN  19          HB1       ASN  19 -12.648  -8.640   1.303
  134   1HD2  ASN  19          HD21      ASN  19 -12.450  -9.770   4.054
  135   2HD2  ASN  19          HD22      ASN  19 -10.973 -10.606   4.110
  136    H    TYR  20           HN       TYR  20  -9.066  -8.008   2.517
  137    HA   TYR  20           HA       TYR  20  -8.800  -6.447   4.843
  138   1HB   TYR  20          HB2       TYR  20  -7.422  -8.338   4.617
  139   2HB   TYR  20          HB1       TYR  20  -6.928  -7.898   2.983
  140    HD1  TYR  20           HD1      TYR  20  -6.898  -6.155   6.319
  141    HD2  TYR  20           HD2      TYR  20  -4.672  -7.368   2.852
  142    HE1  TYR  20           HE1      TYR  20  -4.876  -5.039   7.225
  143    HE2  TYR  20           HE2      TYR  20  -2.651  -6.253   3.757
  144    HH   TYR  20           HH       TYR  20  -1.739  -5.340   5.629
  145    H    CYS  21           HN       CYS  21  -6.892  -5.915   1.842
  146    HA   CYS  21           HA       CYS  21  -5.870  -3.377   2.507
  147   1HB   CYS  21          HB2       CYS  21  -6.587  -4.793  -0.054
  148   2HB   CYS  21          HB1       CYS  21  -5.934  -3.155  -0.101
  149    H    ASP  22           HN       ASP  22  -8.929  -4.177   0.832
  150    HA   ASP  22           HA       ASP  22  -9.887  -1.654   0.164
  151   1HB   ASP  22          HB2       ASP  22 -10.904  -4.041  -0.016
  152   2HB   ASP  22          HB1       ASP  22 -11.594  -3.707   1.573
  153    H    ASN  23           HN       ASN  23 -10.372  -3.259   3.339
  154    HA   ASN  23           HA       ASN  23 -11.544  -0.962   4.612
  155   1HB   ASN  23          HB2       ASN  23 -11.923  -3.100   5.557
  156   2HB   ASN  23          HB1       ASN  23 -10.211  -3.520   5.503
  157   1HD2  ASN  23          HD21      ASN  23 -12.689  -2.153   7.485
  158   2HD2  ASN  23          HD22      ASN  23 -11.689  -1.641   8.758
  159    H    GLN  24           HN       GLN  24  -8.241  -2.354   4.924
  160    HA   GLN  24           HA       GLN  24  -7.055  -0.428   6.555
  161   1HB   GLN  24          HB2       GLN  24  -6.061  -2.538   5.580
  162   2HB   GLN  24          HB1       GLN  24  -5.832  -1.661   4.066
  163   1HG   GLN  24          HG2       GLN  24  -3.754  -1.456   5.198
  164   2HG   GLN  24          HG1       GLN  24  -4.567   0.087   5.465
  165   1HE2  GLN  24          HE21      GLN  24  -4.108   0.713   7.583
  166   2HE2  GLN  24          HE22      GLN  24  -4.202  -0.305   8.938
  167    H    CYS  25           HN       CYS  25  -6.992  -0.331   2.965
  168    HA   CYS  25           HA       CYS  25  -5.934   2.230   2.588
  169   1HB   CYS  25          HB2       CYS  25  -8.141   0.737   1.128
  170   2HB   CYS  25          HB1       CYS  25  -7.326   2.157   0.474
  171    H    LYS  26           HN       LYS  26  -9.395   1.382   2.944
  172    HA   LYS  26           HA       LYS  26 -10.566   3.913   2.842
  173   1HB   LYS  26          HB2       LYS  26 -11.697   1.703   3.078
  174   2HB   LYS  26          HB1       LYS  26 -11.174   1.639   4.762
  175   1HG   LYS  26          HG2       LYS  26 -12.336   4.059   4.791
  176   2HG   LYS  26          HG1       LYS  26 -13.278   3.324   3.493
  177   1HD   LYS  26          HD2       LYS  26 -13.388   1.289   5.209
  178   2HD   LYS  26          HD1       LYS  26 -13.132   2.581   6.383
  179   1HE   LYS  26          HE2       LYS  26 -15.312   2.593   4.263
  180   2HE   LYS  26          HE1       LYS  26 -15.561   2.192   5.973
  181   1HZ   LYS  26          HZ1       LYS  26 -15.705   4.368   6.359
  182   2HZ   LYS  26          HZ2       LYS  26 -15.256   4.753   4.768
  183   3HZ   LYS  26          HZ3       LYS  26 -14.065   4.512   5.955
  184    H    MET  27           HN       MET  27  -9.143   2.313   5.714
  185    HA   MET  27           HA       MET  27  -9.627   4.374   7.602
  186   1HB   MET  27          HB2       MET  27  -7.507   2.252   7.236
  187   2HB   MET  27          HB1       MET  27  -7.499   3.315   8.643
  188   1HG   MET  27          HG2       MET  27  -9.399   2.379   9.536
  189   2HG   MET  27          HG1       MET  27 -10.088   2.015   7.953
  190   1HE   MET  27          HE1       MET  27  -8.998   0.569  11.021
  191   2HE   MET  27          HE2       MET  27  -7.379   1.107  10.582
  192   3HE   MET  27          HE3       MET  27  -7.719  -0.616  10.717
  193    H    LYS  28           HN       LYS  28  -7.114   4.023   5.144
  194    HA   LYS  28           HA       LYS  28  -5.642   6.400   6.103
  195   1HB   LYS  28          HB2       LYS  28  -5.355   4.529   3.728
  196   2HB   LYS  28          HB1       LYS  28  -4.201   5.799   4.136
  197   1HG   LYS  28          HG2       LYS  28  -4.854   4.087   6.421
  198   2HG   LYS  28          HG1       LYS  28  -4.128   3.194   5.083
  199   1HD   LYS  28          HD2       LYS  28  -2.311   4.936   5.000
  200   2HD   LYS  28          HD1       LYS  28  -2.990   5.638   6.469
  201   1HE   LYS  28          HE2       LYS  28  -1.907   2.814   6.160
  202   2HE   LYS  28          HE1       LYS  28  -1.198   4.124   7.126
  203   1HZ   LYS  28          HZ1       LYS  28  -2.479   3.194   8.730
  204   2HZ   LYS  28          HZ2       LYS  28  -3.591   2.532   7.629
  205   3HZ   LYS  28          HZ3       LYS  28  -3.673   4.180   8.036
  206    H    LYS  29           HN       LYS  29  -8.514   6.245   4.774
  207    HA   LYS  29           HA       LYS  29  -9.781   7.771   3.492
  208   1HB   LYS  29          HB2       LYS  29  -7.899   9.224   4.681
  209   2HB   LYS  29          HB1       LYS  29  -7.299   9.382   3.029
  210   1HG   LYS  29          HG2       LYS  29 -10.182   9.915   3.764
  211   2HG   LYS  29          HG1       LYS  29  -8.949  11.175   3.781
  212   1HD   LYS  29          HD2       LYS  29  -8.421  10.627   1.398
  213   2HD   LYS  29          HD1       LYS  29  -9.764   9.483   1.403
  214   1HE   LYS  29          HE2       LYS  29 -10.492  12.160   2.406
  215   2HE   LYS  29          HE1       LYS  29 -10.008  12.129   0.698
  216   1HZ   LYS  29          HZ1       LYS  29 -11.567  10.471   0.212
  217   2HZ   LYS  29          HZ2       LYS  29 -12.417  11.555   1.206
  218   3HZ   LYS  29          HZ3       LYS  29 -11.827  10.096   1.846
  219    H    ALA  30           HN       ALA  30  -8.891   5.534   2.127
  220    HA   ALA  30           HA       ALA  30  -7.822   6.598  -0.464
  221   1HB   ALA  30          HB1       ALA  30  -6.395   4.901   0.312
  222   2HB   ALA  30          HB2       ALA  30  -7.482   4.006  -0.751
  223   3HB   ALA  30          HB3       ALA  30  -7.725   3.966   0.995
  224    H    SER  31           HN       SER  31  -8.714   5.113  -2.365
  225    HA   SER  31           HA       SER  31 -11.667   4.736  -1.970
  226   1HB   SER  31          HB2       SER  31 -10.945   5.433  -4.675
  227   2HB   SER  31          HB1       SER  31 -11.984   6.311  -3.557
  228    HG   SER  31           HG       SER  31 -10.289   7.473  -2.875
  229    H    GLY  32           HN       GLY  32  -8.780   3.807  -3.837
  230   1HA   GLY  32          HA2       GLY  32 -10.193   1.287  -4.613
  231   2HA   GLY  32          HA1       GLY  32  -8.858   1.995  -5.527
  232    H    GLY  33           HN       GLY  33  -9.676   0.381  -2.482
  233   1HA   GLY  33          HA2       GLY  33  -6.781  -0.100  -1.992
  234   2HA   GLY  33          HA1       GLY  33  -8.067  -0.342  -0.810
  235    H    HIS  34           HN       HIS  34  -5.961  -1.980  -2.750
  236    HA   HIS  34           HA       HIS  34  -7.483  -4.489  -2.441
  237   1HB   HIS  34          HB2       HIS  34  -7.686  -4.936  -4.756
  238   2HB   HIS  34          HB1       HIS  34  -8.100  -3.228  -4.630
  239    HD1  HIS  34           HD1      HIS  34  -5.663  -1.684  -4.758
  240    HD2  HIS  34           HD2      HIS  34  -5.918  -5.293  -6.828
  241    HE1  HIS  34           HE1      HIS  34  -3.880  -1.606  -6.555
  242    H    CYS  35           HN       CYS  35  -6.072  -6.386  -3.049
  243    HA   CYS  35           HA       CYS  35  -3.261  -5.828  -2.295
  244   1HB   CYS  35          HB2       CYS  35  -4.548  -7.582  -1.161
  245   2HB   CYS  35          HB1       CYS  35  -4.876  -8.367  -2.706
  246    H    TYR  36           HN       TYR  36  -1.624  -5.826  -3.790
  247    HA   TYR  36           HA       TYR  36  -1.946  -7.347  -6.327
  248   1HB   TYR  36          HB2       TYR  36  -2.788  -4.884  -6.417
  249   2HB   TYR  36          HB1       TYR  36  -1.077  -4.457  -6.352
  250    HD1  TYR  36           HD1      TYR  36  -0.453  -3.772  -8.509
  251    HD2  TYR  36           HD2      TYR  36  -2.830  -7.317  -8.019
  252    HE1  TYR  36           HE1      TYR  36  -0.240  -4.249 -10.934
  253    HE2  TYR  36           HE2      TYR  36  -2.618  -7.794 -10.443
  254    HH   TYR  36           HH       TYR  36  -2.052  -6.852 -12.456
  255    H    ALA  37           HN       ALA  37   0.082  -7.936  -7.238
  256    HA   ALA  37           HA       ALA  37   2.380  -8.488  -7.145
  257   1HB   ALA  37          HB1       ALA  37   2.064  -5.834  -7.410
  258   2HB   ALA  37          HB2       ALA  37   3.662  -6.566  -7.261
  259   3HB   ALA  37          HB3       ALA  37   2.887  -5.844  -5.851
  260    H    MET  38           HN       MET  38   0.649  -8.989  -4.709
  261    HA   MET  38           HA       MET  38   1.057  -9.943  -2.578
  262   1HB   MET  38          HB2       MET  38   3.469 -10.066  -4.043
  263   2HB   MET  38          HB1       MET  38   3.909  -9.452  -2.448
  264   1HG   MET  38          HG2       MET  38   2.743 -11.330  -1.381
  265   2HG   MET  38          HG1       MET  38   2.248 -11.938  -2.960
  266   1HE   MET  38          HE1       MET  38   2.838 -13.915  -2.373
  267   2HE   MET  38          HE2       MET  38   4.362 -14.522  -1.730
  268   3HE   MET  38          HE3       MET  38   4.112 -14.461  -3.472
  269    H    SER  39           HN       SER  39   1.410  -6.786  -3.406
  270    HA   SER  39           HA       SER  39   2.059  -5.961  -0.592
  271   1HB   SER  39          HB2       SER  39   2.499  -4.481  -3.204
  272   2HB   SER  39          HB1       SER  39   3.010  -3.939  -1.608
  273    HG   SER  39           HG       SER  39   3.830  -6.333  -2.906
  274    H    CYS  40           HN       CYS  40   0.510  -4.700   0.418
  275    HA   CYS  40           HA       CYS  40  -2.115  -4.399  -0.712
  276   1HB   CYS  40          HB2       CYS  40  -1.305  -4.507   1.734
  277   2HB   CYS  40          HB1       CYS  40  -0.917  -2.796   1.556
  278    H    TYR  41           HN       TYR  41  -3.049  -2.625  -1.761
  279    HA   TYR  41           HA       TYR  41  -1.414  -0.140  -2.026
  280   1HB   TYR  41          HB2       TYR  41  -0.852  -1.497  -3.936
  281   2HB   TYR  41          HB1       TYR  41  -2.547  -1.893  -4.221
  282    HD1  TYR  41           HD1      TYR  41  -4.111  -0.197  -5.099
  283    HD2  TYR  41           HD2      TYR  41   0.068   0.648  -4.581
  284    HE1  TYR  41           HE1      TYR  41  -4.341   1.818  -6.528
  285    HE2  TYR  41           HE2      TYR  41  -0.160   2.661  -6.009
  286    HH   TYR  41           HH       TYR  41  -3.114   3.335  -7.772
  287    H    CYS  42           HN       CYS  42  -2.669   1.732  -2.306
  288    HA   CYS  42           HA       CYS  42  -5.647   1.355  -2.299
  289   1HB   CYS  42          HB2       CYS  42  -4.081   3.522  -0.875
  290   2HB   CYS  42          HB1       CYS  42  -5.771   3.085  -0.636
  291    H    GLU  43           HN       GLU  43  -6.825   3.005  -3.437
  292    HA   GLU  43           HA       GLU  43  -5.125   4.716  -5.223
  293   1HB   GLU  43          HB2       GLU  43  -6.610   2.669  -6.020
  294   2HB   GLU  43          HB1       GLU  43  -7.918   3.847  -5.892
  295   1HG   GLU  43          HG2       GLU  43  -6.938   5.281  -7.500
  296   2HG   GLU  43          HG1       GLU  43  -5.368   4.486  -7.374
  297    H    GLY  44           HN       GLY  44  -5.225   6.663  -4.050
  298   1HA   GLY  44          HA2       GLY  44  -6.727   8.720  -4.224
  299   2HA   GLY  44          HA1       GLY  44  -7.970   7.711  -3.483
  300    H    LEU  45           HN       LEU  45  -4.666   7.358  -2.428
  301    HA   LEU  45           HA       LEU  45  -5.329   7.913   0.318
  302   1HB   LEU  45          HB2       LEU  45  -2.802   7.554  -1.298
  303   2HB   LEU  45          HB1       LEU  45  -2.730   7.910   0.427
  304    HG   LEU  45           HG       LEU  45  -4.494   5.684  -0.557
  305   1HD1  LEU  45          HD11      LEU  45  -2.679   4.626  -1.404
  306   2HD1  LEU  45          HD12      LEU  45  -2.152   4.453   0.270
  307   3HD1  LEU  45          HD13      LEU  45  -1.569   5.803  -0.703
  308   1HD2  LEU  45          HD21      LEU  45  -4.487   5.035   1.656
  309   2HD2  LEU  45          HD22      LEU  45  -4.174   6.755   1.887
  310   3HD2  LEU  45          HD23      LEU  45  -2.839   5.603   1.925
  311    HA   PRO  46           HA       PRO  46  -4.676  12.252   0.535
  312   1HB   PRO  46          HB2       PRO  46  -3.427  12.532   2.953
  313   2HB   PRO  46          HB1       PRO  46  -5.143  12.110   2.798
  314   1HG   PRO  46          HG2       PRO  46  -2.818  10.378   3.421
  315   2HG   PRO  46          HG1       PRO  46  -4.485  10.288   4.007
  316   1HD   PRO  46          HD2       PRO  46  -3.422   8.671   2.040
  317   2HD   PRO  46          HD1       PRO  46  -5.155   8.995   2.258
  318    H    GLU  47           HN       GLU  47  -3.072  13.827   0.062
  319    HA   GLU  47           HA       GLU  47  -0.612  12.961  -1.083
  320   1HB   GLU  47          HB2       GLU  47  -1.848  15.042  -1.612
  321   2HB   GLU  47          HB1       GLU  47  -1.455  15.673  -0.011
  322   1HG   GLU  47          HG2       GLU  47   0.658  16.213  -0.618
  323   2HG   GLU  47          HG1       GLU  47   0.886  14.697  -1.490
  324    H    ASN  48           HN       ASN  48  -1.449  13.362   2.213
  325    HA   ASN  48           HA       ASN  48   1.396  13.814   3.007
  326   1HB   ASN  48          HB2       ASN  48   0.429  14.458   5.144
  327   2HB   ASN  48          HB1       ASN  48  -0.474  15.266   3.862
  328   1HD2  ASN  48          HD21      ASN  48  -2.004  15.155   6.009
  329   2HD2  ASN  48          HD22      ASN  48  -3.104  13.862   5.994
  330    H    ALA  49           HN       ALA  49  -0.290  11.184   2.208
  331    HA   ALA  49           HA       ALA  49   0.102   9.553   4.626
  332   1HB   ALA  49          HB1       ALA  49  -0.531   7.789   2.717
  333   2HB   ALA  49          HB2       ALA  49  -1.019   9.257   1.869
  334   3HB   ALA  49          HB3       ALA  49  -1.748   8.851   3.423
  335    H    LYS  50           HN       LYS  50   1.547   7.672   4.629
  336    HA   LYS  50           HA       LYS  50   4.041   8.182   3.075
  337   1HB   LYS  50          HB2       LYS  50   3.678   7.853   5.694
  338   2HB   LYS  50          HB1       LYS  50   3.777   6.147   5.258
  339   1HG   LYS  50          HG2       LYS  50   6.012   6.287   5.043
  340   2HG   LYS  50          HG1       LYS  50   5.851   7.614   3.892
  341   1HD   LYS  50          HD2       LYS  50   6.476   9.120   5.445
  342   2HD   LYS  50          HD1       LYS  50   5.259   8.528   6.576
  343   1HE   LYS  50          HE2       LYS  50   7.999   7.279   6.135
  344   2HE   LYS  50          HE1       LYS  50   7.515   8.246   7.541
  345   1HZ   LYS  50          HZ1       LYS  50   5.576   6.249   6.987
  346   2HZ   LYS  50          HZ2       LYS  50   6.465   6.509   8.411
  347   3HZ   LYS  50          HZ3       LYS  50   7.102   5.534   7.175
  348    H    VAL  51           HN       VAL  51   3.933   7.086   1.129
  349    HA   VAL  51           HA       VAL  51   3.329   4.159   1.267
  350    HB   VAL  51           HB       VAL  51   2.152   4.514  -0.950
  351   1HG1  VAL  51          HG11      VAL  51   1.208   5.757   1.625
  352   2HG1  VAL  51          HG12      VAL  51   0.700   4.242   0.878
  353   3HG1  VAL  51          HG13      VAL  51   0.183   5.782   0.190
  354   1HG2  VAL  51          HG21      VAL  51   3.318   6.730  -1.360
  355   2HG2  VAL  51          HG22      VAL  51   2.257   7.433  -0.138
  356   3HG2  VAL  51          HG23      VAL  51   1.573   6.756  -1.617
  357    H    SER  52           HN       SER  52   4.128   3.076  -0.830
  358    HA   SER  52           HA       SER  52   6.866   4.040  -1.390
  359   1HB   SER  52          HB2       SER  52   6.526   1.704  -0.840
  360   2HB   SER  52          HB1       SER  52   5.274   1.548  -2.068
  361    HG   SER  52           HG       SER  52   7.885   1.204  -2.327
  362    H    ASP  53           HN       ASP  53   7.585   3.969  -3.747
  363    HA   ASP  53           HA       ASP  53   5.373   4.730  -5.619
  364   1HB   ASP  53          HB2       ASP  53   6.702   6.637  -6.318
  365   2HB   ASP  53          HB1       ASP  53   6.581   6.678  -4.558
  366    H    SER  54           HN       SER  54   7.079   2.255  -5.248
  367    HA   SER  54           HA       SER  54   8.093   2.123  -8.056
  368   1HB   SER  54          HB2       SER  54  10.085   0.893  -7.100
  369   2HB   SER  54          HB1       SER  54  10.006   2.593  -6.647
  370    HG   SER  54           HG       SER  54   8.767   0.657  -5.033
  371    H    ALA  55           HN       ALA  55   7.383   0.266  -9.050
  372    HA   ALA  55           HA       ALA  55   5.910  -1.729  -7.434
  373   1HB   ALA  55          HB1       ALA  55   6.362  -1.466 -10.425
  374   2HB   ALA  55          HB2       ALA  55   5.026  -0.725  -9.545
  375   3HB   ALA  55          HB3       ALA  55   5.152  -2.482  -9.642
  376    H    THR  56           HN       THR  56   9.092  -1.358  -8.012
  377    HA   THR  56           HA       THR  56   9.547  -4.308  -8.086
  378    HB   THR  56           HB       THR  56   9.736  -3.429 -10.379
  379    HG1  THR  56           HG1      THR  56  11.213  -5.033  -9.694
  380   1HG2  THR  56          HG21      THR  56  10.436  -1.309 -10.646
  381   2HG2  THR  56          HG22      THR  56  12.066  -1.850 -10.244
  382   3HG2  THR  56          HG23      THR  56  11.002  -1.243  -8.977
  383    H    ASN  57           HN       ASN  57   9.738  -2.980  -5.722
  384    HA   ASN  57           HA       ASN  57  12.697  -2.727  -5.324
  385   1HB   ASN  57          HB2       ASN  57  12.367  -0.764  -4.033
  386   2HB   ASN  57          HB1       ASN  57  11.283  -0.557  -5.408
  387   1HD2  ASN  57          HD21      ASN  57  11.376  -0.331  -2.066
  388   2HD2  ASN  57          HD22      ASN  57   9.722  -0.522  -1.738
  389    H    ILE  58           HN       ILE  58  13.419  -3.446  -3.211
  390    HA   ILE  58           HA       ILE  58  11.405  -5.105  -1.747
  391    HB   ILE  58           HB       ILE  58  13.772  -6.236  -1.142
  392   1HG1  ILE  58          HG12      ILE  58  14.182  -5.277  -3.982
  393   2HG1  ILE  58          HG11      ILE  58  14.974  -4.542  -2.589
  394   1HG2  ILE  58          HG21      ILE  58  13.048  -7.984  -2.446
  395   2HG2  ILE  58          HG22      ILE  58  12.722  -6.946  -3.834
  396   3HG2  ILE  58          HG23      ILE  58  11.586  -6.999  -2.486
  397   1HD1  ILE  58          HD11      ILE  58  15.715  -6.975  -2.022
  398   2HD1  ILE  58          HD12      ILE  58  16.559  -6.118  -3.313
  399   3HD1  ILE  58          HD13      ILE  58  15.325  -7.314  -3.708
  400    H    CYS  59           HN       CYS  59  11.153  -4.610   0.397
  401    HA   CYS  59           HA       CYS  59  13.111  -2.710   1.636
  402   1HB   CYS  59          HB2       CYS  59  10.700  -2.053   1.324
  403   2HB   CYS  59          HB1       CYS  59  10.252  -3.375   2.402
  404    H    GLY  60           HN       GLY  60  14.526  -3.787   2.954
  405   1HA   GLY  60          HA2       GLY  60  14.352  -6.401   3.913
  406   2HA   GLY  60          HA1       GLY  60  15.252  -5.131   4.745
  Start of MODEL    4
    1   1H    LYS   1          HT1       LYS   1  -4.185  10.364  -3.009
    2   2H    LYS   1          HT2       LYS   1  -4.191  11.607  -4.165
    3   3H    LYS   1          HT3       LYS   1  -3.102  11.661  -2.863
    4    HA   LYS   1           HA       LYS   1  -2.719  10.501  -5.398
    5   1HB   LYS   1          HB2       LYS   1  -0.444  10.259  -4.410
    6   2HB   LYS   1          HB1       LYS   1  -1.140  11.846  -4.079
    7   1HG   LYS   1          HG2       LYS   1  -1.395  11.420  -1.834
    8   2HG   LYS   1          HG1       LYS   1  -1.683   9.697  -2.087
    9   1HD   LYS   1          HD2       LYS   1   0.837   9.708  -2.878
   10   2HD   LYS   1          HD1       LYS   1   0.919  11.174  -1.902
   11   1HE   LYS   1          HE2       LYS   1  -0.502   9.289  -0.338
   12   2HE   LYS   1          HE1       LYS   1   0.902   8.432  -1.004
   13   1HZ   LYS   1          HZ1       LYS   1   2.316  10.257  -0.323
   14   2HZ   LYS   1          HZ2       LYS   1   1.478   9.649   1.024
   15   3HZ   LYS   1          HZ3       LYS   1   0.984  11.103   0.297
   16    H    ASP   2           HN       ASP   2  -1.429   8.358  -5.548
   17    HA   ASP   2           HA       ASP   2  -2.813   6.262  -3.901
   18   1HB   ASP   2          HB2       ASP   2  -1.650   5.860  -6.656
   19   2HB   ASP   2          HB1       ASP   2  -2.935   4.951  -5.862
   20    H    GLY   3           HN       GLY   3  -1.436   4.153  -3.905
   21   1HA   GLY   3          HA2       GLY   3   1.234   3.850  -4.405
   22   2HA   GLY   3          HA1       GLY   3   1.253   4.870  -2.968
   23    H    TYR   4           HN       TYR   4   2.398   2.823  -2.173
   24    HA   TYR   4           HA       TYR   4   0.427   0.743  -1.300
   25   1HB   TYR   4          HB2       TYR   4   3.452   0.613  -1.224
   26   2HB   TYR   4          HB1       TYR   4   2.309  -0.729  -1.215
   27    HD1  TYR   4           HD1      TYR   4   1.484  -1.661  -3.239
   28    HD2  TYR   4           HD2      TYR   4   3.657   2.045  -3.306
   29    HE1  TYR   4           HE1      TYR   4   1.581  -1.762  -5.715
   30    HE2  TYR   4           HE2      TYR   4   3.751   1.943  -5.781
   31    HH   TYR   4           HH       TYR   4   2.646   0.926  -7.623
   32    HA   PRO   5           HA       PRO   5   0.892   2.581   2.705
   33   1HB   PRO   5          HB2       PRO   5  -0.391   0.637   4.136
   34   2HB   PRO   5          HB1       PRO   5  -1.250   1.847   3.162
   35   1HG   PRO   5          HG2       PRO   5  -0.614  -0.990   2.520
   36   2HG   PRO   5          HG1       PRO   5  -2.075  -0.053   2.168
   37   1HD   PRO   5          HD2       PRO   5  -0.144  -0.573   0.316
   38   2HD   PRO   5          HD1       PRO   5  -1.185   0.867   0.266
   39    H    VAL   6           HN       VAL   6   2.477   2.382   4.264
   40    HA   VAL   6           HA       VAL   6   4.036  -0.182   4.308
   41    HB   VAL   6           HB       VAL   6   5.885   1.403   5.071
   42   1HG1  VAL   6          HG11      VAL   6   6.107   2.442   2.746
   43   2HG1  VAL   6          HG12      VAL   6   4.545   1.711   2.377
   44   3HG1  VAL   6          HG13      VAL   6   5.920   0.689   2.792
   45   1HG2  VAL   6          HG21      VAL   6   4.466   3.703   3.903
   46   2HG2  VAL   6          HG22      VAL   6   5.482   3.623   5.342
   47   3HG2  VAL   6          HG23      VAL   6   3.785   3.153   5.434
   48    H    ASP   7           HN       ASP   7   5.148  -0.537   6.481
   49    HA   ASP   7           HA       ASP   7   3.160  -0.221   8.637
   50   1HB   ASP   7          HB2       ASP   7   4.885  -1.660   9.842
   51   2HB   ASP   7          HB1       ASP   7   4.216  -2.365   8.371
   52    H    SER   8           HN       SER   8   4.387   0.203  10.908
   53    HA   SER   8           HA       SER   8   5.006   2.941  11.070
   54   1HB   SER   8          HB2       SER   8   5.360   2.444  13.311
   55   2HB   SER   8          HB1       SER   8   4.497   0.994  12.805
   56    HG   SER   8           HG       SER   8   6.628   0.817  13.984
   57    H    LYS   9           HN       LYS   9   7.033   0.355   9.958
   58    HA   LYS   9           HA       LYS   9   9.551   1.794  10.514
   59   1HB   LYS   9          HB2       LYS   9   9.144  -0.735  10.580
   60   2HB   LYS   9          HB1       LYS   9   9.092  -0.670   8.817
   61   1HG   LYS   9          HG2       LYS   9  11.356   0.602   9.027
   62   2HG   LYS   9          HG1       LYS   9  11.405  -0.078  10.653
   63   1HD   LYS   9          HD2       LYS   9  10.961  -2.350   9.553
   64   2HD   LYS   9          HD1       LYS   9  11.330  -1.558   8.020
   65   1HE   LYS   9          HE2       LYS   9  13.562  -0.990   8.766
   66   2HE   LYS   9          HE1       LYS   9  13.202  -1.549  10.413
   67   1HZ   LYS   9          HZ1       LYS   9  12.685  -3.388   8.197
   68   2HZ   LYS   9          HZ2       LYS   9  13.188  -3.721   9.785
   69   3HZ   LYS   9          HZ3       LYS   9  14.303  -3.142   8.641
   70    H    GLY  10           HN       GLY  10   7.499   0.998   7.712
   71   1HA   GLY  10          HA2       GLY  10   7.440   2.904   6.013
   72   2HA   GLY  10          HA1       GLY  10   9.201   2.837   6.077
   73    H    CYS  11           HN       CYS  11   8.036  -0.273   6.412
   74    HA   CYS  11           HA       CYS  11   8.805  -0.929   3.635
   75   1HB   CYS  11          HB2       CYS  11   8.051  -2.550   6.087
   76   2HB   CYS  11          HB1       CYS  11   8.571  -3.264   4.562
   77    H    LYS  12           HN       LYS  12   7.345  -1.532   2.052
   78    HA   LYS  12           HA       LYS  12   4.614  -0.892   2.140
   79   1HB   LYS  12          HB2       LYS  12   6.204  -2.922   0.552
   80   2HB   LYS  12          HB1       LYS  12   4.525  -2.529   0.181
   81   1HG   LYS  12          HG2       LYS  12   5.083  -0.213  -0.220
   82   2HG   LYS  12          HG1       LYS  12   6.731  -0.462   0.357
   83   1HD   LYS  12          HD2       LYS  12   6.816  -0.485  -2.049
   84   2HD   LYS  12          HD1       LYS  12   7.027  -2.149  -1.506
   85   1HE   LYS  12          HE2       LYS  12   4.394  -2.253  -1.745
   86   2HE   LYS  12          HE1       LYS  12   4.656  -0.892  -2.854
   87   1HZ   LYS  12          HZ1       LYS  12   6.323  -2.177  -4.015
   88   2HZ   LYS  12          HZ2       LYS  12   4.856  -3.036  -3.996
   89   3HZ   LYS  12          HZ3       LYS  12   6.117  -3.478  -2.947
   90    H    LEU  13           HN       LEU  13   2.737  -2.447   2.069
   91    HA   LEU  13           HA       LEU  13   3.048  -4.512   4.193
   92   1HB   LEU  13          HB2       LEU  13   1.363  -2.652   4.343
   93   2HB   LEU  13          HB1       LEU  13   0.568  -3.321   2.917
   94    HG   LEU  13           HG       LEU  13   0.248  -5.467   4.115
   95   1HD1  LEU  13          HD11      LEU  13   1.625  -3.931   6.326
   96   2HD1  LEU  13          HD12      LEU  13   2.073  -5.497   5.648
   97   3HD1  LEU  13          HD13      LEU  13   0.627  -5.349   6.647
   98   1HD2  LEU  13          HD21      LEU  13  -1.104  -4.159   6.132
   99   2HD2  LEU  13          HD22      LEU  13  -1.721  -4.391   4.496
  100   3HD2  LEU  13          HD23      LEU  13  -0.913  -2.884   4.928
  101    H    SER  14           HN       SER  14   3.426  -6.548   3.411
  102    HA   SER  14           HA       SER  14   2.900  -7.394   0.716
  103   1HB   SER  14          HB2       SER  14   3.101  -9.201   3.126
  104   2HB   SER  14          HB1       SER  14   3.734  -9.465   1.503
  105    HG   SER  14           HG       SER  14   5.069  -7.537   1.974
  106    H    CYS  15           HN       CYS  15   1.132  -8.585  -0.118
  107    HA   CYS  15           HA       CYS  15  -1.110  -9.225   1.743
  108   1HB   CYS  15          HB2       CYS  15  -2.651  -8.017   0.211
  109   2HB   CYS  15          HB1       CYS  15  -1.439  -6.937   0.899
  110    H    VAL  16           HN       VAL  16  -2.987 -10.055  -0.004
  111    HA   VAL  16           HA       VAL  16  -1.825 -11.740  -2.123
  112    HB   VAL  16           HB       VAL  16  -1.322 -13.107  -0.230
  113   1HG1  VAL  16          HG11      VAL  16  -2.666 -11.866   1.413
  114   2HG1  VAL  16          HG12      VAL  16  -3.009 -13.592   1.520
  115   3HG1  VAL  16          HG13      VAL  16  -4.147 -12.516   0.708
  116   1HG2  VAL  16          HG21      VAL  16  -2.618 -14.187  -2.153
  117   2HG2  VAL  16          HG22      VAL  16  -4.044 -14.091  -1.120
  118   3HG2  VAL  16          HG23      VAL  16  -2.657 -15.057  -0.619
  119    H    ALA  17           HN       ALA  17  -4.640 -10.883  -0.130
  120    HA   ALA  17           HA       ALA  17  -6.437 -11.580  -2.421
  121   1HB   ALA  17          HB1       ALA  17  -6.676 -12.570  -0.064
  122   2HB   ALA  17          HB2       ALA  17  -8.128 -11.834  -0.743
  123   3HB   ALA  17          HB3       ALA  17  -7.171 -10.958   0.451
  124    H    ASN  18           HN       ASN  18  -8.063  -9.992  -3.027
  125    HA   ASN  18           HA       ASN  18  -7.125  -7.234  -2.900
  126   1HB   ASN  18          HB2       ASN  18  -9.361  -8.802  -4.132
  127   2HB   ASN  18          HB1       ASN  18  -9.517  -7.046  -4.058
  128   1HD2  ASN  18          HD21      ASN  18  -9.324  -7.989  -6.602
  129   2HD2  ASN  18          HD22      ASN  18  -7.772  -7.745  -7.246
  130    H    ASN  19           HN       ASN  19  -9.839  -9.064  -1.487
  131    HA   ASN  19           HA       ASN  19 -11.326  -7.024  -0.288
  132   1HB   ASN  19          HB2       ASN  19 -12.024  -8.768   1.251
  133   2HB   ASN  19          HB1       ASN  19 -11.722  -9.522  -0.314
  134   1HD2  ASN  19          HD21      ASN  19 -11.317 -10.275   2.788
  135   2HD2  ASN  19          HD22      ASN  19  -9.812 -11.060   2.749
  136    H    TYR  20           HN       TYR  20  -8.236  -8.411   0.750
  137    HA   TYR  20           HA       TYR  20  -8.044  -7.285   3.349
  138   1HB   TYR  20          HB2       TYR  20  -6.566  -9.005   2.334
  139   2HB   TYR  20          HB1       TYR  20  -5.905  -7.783   1.249
  140    HD1  TYR  20           HD1      TYR  20  -6.722  -6.339   4.398
  141    HD2  TYR  20           HD2      TYR  20  -3.723  -8.687   2.408
  142    HE1  TYR  20           HE1      TYR  20  -5.069  -5.698   6.130
  143    HE2  TYR  20           HE2      TYR  20  -2.072  -8.045   4.141
  144    HH   TYR  20           HH       TYR  20  -3.027  -6.177   6.989
  145    H    CYS  21           HN       CYS  21  -6.712  -5.992   0.275
  146    HA   CYS  21           HA       CYS  21  -5.909  -3.466   1.403
  147   1HB   CYS  21          HB2       CYS  21  -6.412  -4.563  -1.365
  148   2HB   CYS  21          HB1       CYS  21  -5.901  -2.893  -1.123
  149    H    ASP  22           HN       ASP  22  -8.765  -4.435  -0.527
  150    HA   ASP  22           HA       ASP  22 -10.089  -2.056  -0.935
  151   1HB   ASP  22          HB2       ASP  22 -10.878  -4.333  -1.530
  152   2HB   ASP  22          HB1       ASP  22 -11.260  -4.632   0.166
  153    H    ASN  23           HN       ASN  23 -10.195  -3.933   2.120
  154    HA   ASN  23           HA       ASN  23 -11.747  -1.910   3.522
  155   1HB   ASN  23          HB2       ASN  23 -11.641  -4.397   3.982
  156   2HB   ASN  23          HB1       ASN  23 -10.016  -4.147   4.621
  157   1HD2  ASN  23          HD21      ASN  23 -13.272  -4.249   5.527
  158   2HD2  ASN  23          HD22      ASN  23 -13.153  -3.409   6.996
  159    H    GLN  24           HN       GLN  24  -8.379  -3.050   4.036
  160    HA   GLN  24           HA       GLN  24  -7.491  -1.084   5.802
  161   1HB   GLN  24          HB2       GLN  24  -6.337  -3.153   4.786
  162   2HB   GLN  24          HB1       GLN  24  -5.869  -2.094   3.456
  163   1HG   GLN  24          HG2       GLN  24  -4.120  -2.251   5.239
  164   2HG   GLN  24          HG1       GLN  24  -4.707  -0.605   4.993
  165   1HE2  GLN  24          HE21      GLN  24  -6.114  -3.371   6.843
  166   2HE2  GLN  24          HE22      GLN  24  -6.236  -2.517   8.305
  167    H    CYS  25           HN       CYS  25  -7.126  -0.913   2.229
  168    HA   CYS  25           HA       CYS  25  -6.151   1.713   2.018
  169   1HB   CYS  25          HB2       CYS  25  -8.098   0.169   0.270
  170   2HB   CYS  25          HB1       CYS  25  -7.232   1.614  -0.248
  171    H    LYS  26           HN       LYS  26  -9.581   0.681   1.882
  172    HA   LYS  26           HA       LYS  26 -10.830   3.179   1.688
  173   1HB   LYS  26          HB2       LYS  26 -11.786   0.809   1.694
  174   2HB   LYS  26          HB1       LYS  26 -11.735   0.889   3.455
  175   1HG   LYS  26          HG2       LYS  26 -13.960   1.537   2.617
  176   2HG   LYS  26          HG1       LYS  26 -13.167   2.901   3.406
  177   1HD   LYS  26          HD2       LYS  26 -12.381   2.900   0.660
  178   2HD   LYS  26          HD1       LYS  26 -14.136   2.740   0.722
  179   1HE   LYS  26          HE2       LYS  26 -14.107   4.678   2.411
  180   2HE   LYS  26          HE1       LYS  26 -12.427   4.942   1.904
  181   1HZ   LYS  26          HZ1       LYS  26 -13.062   5.677  -0.098
  182   2HZ   LYS  26          HZ2       LYS  26 -14.598   5.891   0.596
  183   3HZ   LYS  26          HZ3       LYS  26 -14.249   4.478  -0.280
  184    H    MET  27           HN       MET  27  -9.846   1.477   4.683
  185    HA   MET  27           HA       MET  27 -10.741   3.360   6.582
  186   1HB   MET  27          HB2       MET  27  -8.331   1.524   6.465
  187   2HB   MET  27          HB1       MET  27  -8.824   2.370   7.932
  188   1HG   MET  27          HG2       MET  27 -11.163   1.166   6.883
  189   2HG   MET  27          HG1       MET  27  -9.895  -0.058   6.814
  190   1HE   MET  27          HE1       MET  27  -7.986   0.413   8.695
  191   2HE   MET  27          HE2       MET  27  -8.718  -1.144   9.073
  192   3HE   MET  27          HE3       MET  27  -8.419   0.017  10.364
  193    H    LYS  28           HN       LYS  28  -7.774   3.357   4.621
  194    HA   LYS  28           HA       LYS  28  -6.730   5.769   5.952
  195   1HB   LYS  28          HB2       LYS  28  -5.898   3.910   3.729
  196   2HB   LYS  28          HB1       LYS  28  -5.042   5.432   3.979
  197   1HG   LYS  28          HG2       LYS  28  -5.401   4.177   6.528
  198   2HG   LYS  28          HG1       LYS  28  -4.721   2.989   5.415
  199   1HD   LYS  28          HD2       LYS  28  -2.767   4.174   5.123
  200   2HD   LYS  28          HD1       LYS  28  -3.555   5.734   5.359
  201   1HE   LYS  28          HE2       LYS  28  -3.331   5.652   7.658
  202   2HE   LYS  28          HE1       LYS  28  -3.454   3.882   7.708
  203   1HZ   LYS  28          HZ1       LYS  28  -1.151   5.495   6.753
  204   2HZ   LYS  28          HZ2       LYS  28  -1.285   3.817   6.521
  205   3HZ   LYS  28          HZ3       LYS  28  -1.185   4.455   8.092
  206    H    LYS  29           HN       LYS  29  -9.317   5.568   4.155
  207    HA   LYS  29           HA       LYS  29 -10.475   7.193   2.883
  208   1HB   LYS  29          HB2       LYS  29  -8.799   8.647   4.283
  209   2HB   LYS  29          HB1       LYS  29  -7.933   8.794   2.752
  210   1HG   LYS  29          HG2       LYS  29  -9.704   9.911   1.703
  211   2HG   LYS  29          HG1       LYS  29 -10.895   9.301   2.851
  212   1HD   LYS  29          HD2       LYS  29  -9.662  10.666   4.632
  213   2HD   LYS  29          HD1       LYS  29  -8.818  11.451   3.296
  214   1HE   LYS  29          HE2       LYS  29 -11.840  11.285   3.354
  215   2HE   LYS  29          HE1       LYS  29 -10.965  12.615   4.138
  216   1HZ   LYS  29          HZ1       LYS  29 -10.719  13.534   2.144
  217   2HZ   LYS  29          HZ2       LYS  29 -11.432  12.199   1.375
  218   3HZ   LYS  29          HZ3       LYS  29  -9.759  12.218   1.671
  219    H    ALA  30           HN       ALA  30  -9.210   4.974   1.597
  220    HA   ALA  30           HA       ALA  30  -8.178   6.193  -0.939
  221   1HB   ALA  30          HB1       ALA  30  -7.005   4.147  -1.244
  222   2HB   ALA  30          HB2       ALA  30  -8.037   3.294  -0.096
  223   3HB   ALA  30          HB3       ALA  30  -6.862   4.476   0.483
  224    H    SER  31           HN       SER  31  -8.860   4.806  -2.927
  225    HA   SER  31           HA       SER  31 -11.738   4.006  -2.620
  226   1HB   SER  31          HB2       SER  31 -11.299   6.160  -3.806
  227   2HB   SER  31          HB1       SER  31 -10.314   5.286  -4.977
  228    HG   SER  31           HG       SER  31 -12.160   5.024  -5.956
  229    H    GLY  32           HN       GLY  32  -8.713   3.441  -4.429
  230   1HA   GLY  32          HA2       GLY  32  -9.835   0.827  -5.335
  231   2HA   GLY  32          HA1       GLY  32  -8.475   1.654  -6.098
  232    H    GLY  33           HN       GLY  33  -9.460  -0.194  -3.253
  233   1HA   GLY  33          HA2       GLY  33  -6.590  -0.493  -2.503
  234   2HA   GLY  33          HA1       GLY  33  -7.952  -0.842  -1.440
  235    H    HIS  34           HN       HIS  34  -5.641  -2.270  -3.360
  236    HA   HIS  34           HA       HIS  34  -7.014  -4.880  -3.191
  237   1HB   HIS  34          HB2       HIS  34  -6.728  -5.252  -5.635
  238   2HB   HIS  34          HB1       HIS  34  -7.796  -3.890  -5.299
  239    HD1  HIS  34           HD1      HIS  34  -7.159  -1.681  -6.301
  240    HD2  HIS  34           HD2      HIS  34  -3.972  -4.367  -6.308
  241    HE1  HIS  34           HE1      HIS  34  -5.291  -0.572  -7.603
  242    H    CYS  35           HN       CYS  35  -5.452  -6.651  -3.957
  243    HA   CYS  35           HA       CYS  35  -2.736  -6.002  -2.960
  244   1HB   CYS  35          HB2       CYS  35  -4.117  -7.931  -2.142
  245   2HB   CYS  35          HB1       CYS  35  -4.018  -8.634  -3.756
  246    H    TYR  36           HN       TYR  36  -1.121  -5.570  -4.400
  247    HA   TYR  36           HA       TYR  36  -1.168  -6.930  -7.064
  248   1HB   TYR  36          HB2       TYR  36  -1.887  -4.300  -6.622
  249   2HB   TYR  36          HB1       TYR  36  -0.180  -4.156  -7.040
  250    HD1  TYR  36           HD1      TYR  36   0.659  -4.964  -9.221
  251    HD2  TYR  36           HD2      TYR  36  -3.520  -5.073  -8.235
  252    HE1  TYR  36           HE1      TYR  36   0.104  -5.315 -11.612
  253    HE2  TYR  36           HE2      TYR  36  -4.075  -5.424 -10.627
  254    HH   TYR  36           HH       TYR  36  -3.100  -6.160 -12.649
  255    H    ALA  37           HN       ALA  37   0.890  -7.542  -7.771
  256    HA   ALA  37           HA       ALA  37   3.181  -8.080  -7.549
  257   1HB   ALA  37          HB1       ALA  37   2.816  -5.178  -6.915
  258   2HB   ALA  37          HB2       ALA  37   3.682  -5.929  -8.254
  259   3HB   ALA  37          HB3       ALA  37   4.409  -5.885  -6.649
  260    H    MET  38           HN       MET  38   1.529  -8.884  -5.320
  261    HA   MET  38           HA       MET  38   1.818  -9.714  -3.128
  262   1HB   MET  38          HB2       MET  38   4.696  -8.864  -3.560
  263   2HB   MET  38          HB1       MET  38   4.108 -10.156  -2.514
  264   1HG   MET  38          HG2       MET  38   3.200 -10.494  -5.266
  265   2HG   MET  38          HG1       MET  38   4.958 -10.443  -5.154
  266   1HE   MET  38          HE1       MET  38   5.548 -12.666  -2.124
  267   2HE   MET  38          HE2       MET  38   5.946 -11.197  -3.010
  268   3HE   MET  38          HE3       MET  38   6.387 -12.767  -3.677
  269    H    SER  39           HN       SER  39   1.739  -6.601  -3.873
  270    HA   SER  39           HA       SER  39   2.253  -5.711  -1.055
  271   1HB   SER  39          HB2       SER  39   3.030  -4.504  -3.710
  272   2HB   SER  39          HB1       SER  39   2.911  -3.507  -2.262
  273    HG   SER  39           HG       SER  39   4.934  -4.977  -3.004
  274    H    CYS  40           HN       CYS  40   0.757  -4.119  -0.279
  275    HA   CYS  40           HA       CYS  40  -1.867  -4.156  -1.578
  276   1HB   CYS  40          HB2       CYS  40  -1.292  -4.215   0.920
  277   2HB   CYS  40          HB1       CYS  40  -0.940  -2.493   0.775
  278    H    TYR  41           HN       TYR  41  -2.758  -2.519  -2.813
  279    HA   TYR  41           HA       TYR  41  -1.236   0.059  -3.022
  280   1HB   TYR  41          HB2       TYR  41  -0.934  -1.627  -4.916
  281   2HB   TYR  41          HB1       TYR  41  -2.646  -1.397  -5.277
  282    HD1  TYR  41           HD1      TYR  41  -3.211   0.230  -6.850
  283    HD2  TYR  41           HD2      TYR  41   0.414   0.670  -4.586
  284    HE1  TYR  41           HE1      TYR  41  -2.664   2.288  -8.122
  285    HE2  TYR  41           HE2      TYR  41   0.960   2.725  -5.861
  286    HH   TYR  41           HH       TYR  41  -0.141   4.420  -7.166
  287    H    CYS  42           HN       CYS  42  -2.570   1.706  -2.385
  288    HA   CYS  42           HA       CYS  42  -5.525   1.354  -2.757
  289   1HB   CYS  42          HB2       CYS  42  -4.113   3.260  -0.878
  290   2HB   CYS  42          HB1       CYS  42  -5.772   2.674  -0.783
  291    H    GLU  43           HN       GLU  43  -6.654   2.995  -3.840
  292    HA   GLU  43           HA       GLU  43  -4.971   5.157  -5.061
  293   1HB   GLU  43          HB2       GLU  43  -6.059   3.330  -6.475
  294   2HB   GLU  43          HB1       GLU  43  -7.613   4.034  -6.026
  295   1HG   GLU  43          HG2       GLU  43  -6.782   6.243  -6.910
  296   2HG   GLU  43          HG1       GLU  43  -5.357   5.399  -7.517
  297    H    GLY  44           HN       GLY  44  -5.340   7.066  -3.985
  298   1HA   GLY  44          HA2       GLY  44  -7.204   8.839  -3.909
  299   2HA   GLY  44          HA1       GLY  44  -8.116   7.617  -3.022
  300    H    LEU  45           HN       LEU  45  -5.020   7.110  -2.097
  301    HA   LEU  45           HA       LEU  45  -5.296   7.960   0.572
  302   1HB   LEU  45          HB2       LEU  45  -2.970   7.448  -1.283
  303   2HB   LEU  45          HB1       LEU  45  -2.691   7.910   0.396
  304    HG   LEU  45           HG       LEU  45  -4.478   5.602  -0.406
  305   1HD1  LEU  45          HD11      LEU  45  -2.660   4.114  -0.072
  306   2HD1  LEU  45          HD12      LEU  45  -1.659   5.371   0.655
  307   3HD1  LEU  45          HD13      LEU  45  -1.997   5.404  -1.076
  308   1HD2  LEU  45          HD21      LEU  45  -4.766   6.698   1.854
  309   2HD2  LEU  45          HD22      LEU  45  -3.100   6.248   2.218
  310   3HD2  LEU  45          HD23      LEU  45  -4.309   4.996   1.933
  311    HA   PRO  46           HA       PRO  46  -4.647  12.312   0.439
  312   1HB   PRO  46          HB2       PRO  46  -3.403  12.725   2.839
  313   2HB   PRO  46          HB1       PRO  46  -5.128  12.334   2.704
  314   1HG   PRO  46          HG2       PRO  46  -2.840  10.574   3.412
  315   2HG   PRO  46          HG1       PRO  46  -4.488  10.597   4.057
  316   1HD   PRO  46          HD2       PRO  46  -3.597   8.778   2.216
  317   2HD   PRO  46          HD1       PRO  46  -5.298   9.267   2.384
  318    H    GLU  47           HN       GLU  47  -2.923  13.913   0.179
  319    HA   GLU  47           HA       GLU  47  -0.575  12.996  -1.130
  320   1HB   GLU  47          HB2       GLU  47  -1.610  15.216  -1.385
  321   2HB   GLU  47          HB1       GLU  47  -1.201  15.608   0.285
  322   1HG   GLU  47          HG2       GLU  47   0.653  16.530  -0.673
  323   2HG   GLU  47          HG1       GLU  47   1.238  14.866  -0.634
  324    H    ASN  48           HN       ASN  48  -1.316  13.190   2.224
  325    HA   ASN  48           HA       ASN  48   1.589  13.008   2.946
  326   1HB   ASN  48          HB2       ASN  48   0.706  13.717   5.205
  327   2HB   ASN  48          HB1       ASN  48   0.429  14.902   3.928
  328   1HD2  ASN  48          HD21      ASN  48  -1.207  12.225   5.682
  329   2HD2  ASN  48          HD22      ASN  48  -2.774  12.839   5.466
  330    H    ALA  49           HN       ALA  49  -0.392  10.817   2.041
  331    HA   ALA  49           HA       ALA  49  -0.991   9.191   4.353
  332   1HB   ALA  49          HB1       ALA  49  -0.555   7.887   1.736
  333   2HB   ALA  49          HB2       ALA  49  -1.663   9.259   1.700
  334   3HB   ALA  49          HB3       ALA  49  -1.988   7.890   2.764
  335    H    LYS  50           HN       LYS  50   0.084   7.165   4.916
  336    HA   LYS  50           HA       LYS  50   3.026   7.355   4.715
  337   1HB   LYS  50          HB2       LYS  50   1.707   6.882   6.820
  338   2HB   LYS  50          HB1       LYS  50   1.252   5.330   6.115
  339   1HG   LYS  50          HG2       LYS  50   3.219   4.430   6.728
  340   2HG   LYS  50          HG1       LYS  50   4.097   5.693   5.863
  341   1HD   LYS  50          HD2       LYS  50   4.106   7.133   7.758
  342   2HD   LYS  50          HD1       LYS  50   2.891   6.165   8.593
  343   1HE   LYS  50          HE2       LYS  50   4.642   5.140   9.629
  344   2HE   LYS  50          HE1       LYS  50   4.950   4.345   8.071
  345   1HZ   LYS  50          HZ1       LYS  50   6.006   6.986   8.938
  346   2HZ   LYS  50          HZ2       LYS  50   6.228   6.309   7.395
  347   3HZ   LYS  50          HZ3       LYS  50   6.907   5.560   8.760
  348    H    VAL  51           HN       VAL  51   3.229   6.791   2.408
  349    HA   VAL  51           HA       VAL  51   2.956   3.846   1.958
  350    HB   VAL  51           HB       VAL  51   2.177   4.478  -0.369
  351   1HG1  VAL  51          HG11      VAL  51   0.113   5.772   1.198
  352   2HG1  VAL  51          HG12      VAL  51   0.770   4.385   2.067
  353   3HG1  VAL  51          HG13      VAL  51   0.101   4.176   0.449
  354   1HG2  VAL  51          HG21      VAL  51   1.205   7.093   0.345
  355   2HG2  VAL  51          HG22      VAL  51   2.246   6.640  -1.005
  356   3HG2  VAL  51          HG23      VAL  51   2.956   7.051   0.557
  357    H    SER  52           HN       SER  52   4.261   3.214  -0.068
  358    HA   SER  52           HA       SER  52   6.930   4.464   0.111
  359   1HB   SER  52          HB2       SER  52   6.719   2.041   0.130
  360   2HB   SER  52          HB1       SER  52   5.768   2.072  -1.353
  361    HG   SER  52           HG       SER  52   8.512   2.504  -0.950
  362    H    ASP  53           HN       ASP  53   7.974   5.447  -1.701
  363    HA   ASP  53           HA       ASP  53   6.102   6.389  -3.834
  364   1HB   ASP  53          HB2       ASP  53   7.717   8.222  -4.042
  365   2HB   ASP  53          HB1       ASP  53   7.283   8.015  -2.344
  366    H    SER  54           HN       SER  54   8.127   3.880  -3.480
  367    HA   SER  54           HA       SER  54   8.851   3.873  -6.363
  368   1HB   SER  54          HB2       SER  54  11.188   3.471  -5.861
  369   2HB   SER  54          HB1       SER  54  10.693   4.915  -4.983
  370    HG   SER  54           HG       SER  54  11.413   3.854  -3.316
  371    H    ALA  55           HN       ALA  55   8.182   1.910  -7.111
  372    HA   ALA  55           HA       ALA  55   7.317  -0.255  -5.473
  373   1HB   ALA  55          HB1       ALA  55   7.469  -1.479  -7.706
  374   2HB   ALA  55          HB2       ALA  55   8.197  -0.013  -8.362
  375   3HB   ALA  55          HB3       ALA  55   6.549   0.025  -7.736
  376    H    THR  56           HN       THR  56  10.489   0.759  -6.288
  377    HA   THR  56           HA       THR  56  11.644  -1.957  -5.874
  378    HB   THR  56           HB       THR  56  13.590   0.113  -6.269
  379    HG1  THR  56           HG1      THR  56  12.694   1.365  -7.686
  380   1HG2  THR  56          HG21      THR  56  14.216  -1.875  -7.211
  381   2HG2  THR  56          HG22      THR  56  13.463  -1.167  -8.640
  382   3HG2  THR  56          HG23      THR  56  12.563  -2.311  -7.644
  383    H    ASN  57           HN       ASN  57  10.546  -1.225  -3.532
  384    HA   ASN  57           HA       ASN  57  12.546   0.258  -1.912
  385   1HB   ASN  57          HB2       ASN  57  10.782   0.214  -0.233
  386   2HB   ASN  57          HB1       ASN  57  10.064   0.651  -1.783
  387   1HD2  ASN  57          HD21      ASN  57   9.453  -1.246   0.846
  388   2HD2  ASN  57          HD22      ASN  57   8.566  -2.492   0.109
  389    H    ILE  58           HN       ILE  58  14.113  -0.866  -0.828
  390    HA   ILE  58           HA       ILE  58  13.578  -3.743  -0.161
  391    HB   ILE  58           HB       ILE  58  16.052  -2.298  -1.147
  392   1HG1  ILE  58          HG12      ILE  58  15.487  -4.734  -2.505
  393   2HG1  ILE  58          HG11      ILE  58  13.964  -3.853  -2.368
  394   1HG2  ILE  58          HG21      ILE  58  17.372  -3.871  -0.222
  395   2HG2  ILE  58          HG22      ILE  58  16.348  -5.164  -0.845
  396   3HG2  ILE  58          HG23      ILE  58  15.975  -4.415   0.707
  397   1HD1  ILE  58          HD11      ILE  58  16.411  -2.334  -3.184
  398   2HD1  ILE  58          HD12      ILE  58  14.725  -2.064  -3.627
  399   3HD1  ILE  58          HD13      ILE  58  15.634  -3.375  -4.377
  400    H    CYS  59           HN       CYS  59  12.905  -3.154   2.012
  401    HA   CYS  59           HA       CYS  59  15.042  -1.918   3.711
  402   1HB   CYS  59          HB2       CYS  59  13.120  -1.423   5.220
  403   2HB   CYS  59          HB1       CYS  59  12.889  -0.742   3.610
  404    H    GLY  60           HN       GLY  60  16.198  -3.944   4.021
  405   1HA   GLY  60          HA2       GLY  60  15.799  -5.391   6.298
  406   2HA   GLY  60          HA1       GLY  60  14.764  -6.243   5.151
  Start of MODEL    5
    1   1H    LYS   1          HT1       LYS   1  -4.618   9.776  -4.458
    2   2H    LYS   1          HT2       LYS   1  -4.580  10.833  -5.787
    3   3H    LYS   1          HT3       LYS   1  -3.584  11.120  -4.442
    4    HA   LYS   1           HA       LYS   1  -3.005   9.601  -6.742
    5   1HB   LYS   1          HB2       LYS   1  -0.795   9.725  -5.736
    6   2HB   LYS   1          HB1       LYS   1  -1.630  11.242  -5.404
    7   1HG   LYS   1          HG2       LYS   1  -2.138  10.578  -3.159
    8   2HG   LYS   1          HG1       LYS   1  -1.642   8.913  -3.472
    9   1HD   LYS   1          HD2       LYS   1   0.613  10.350  -4.169
   10   2HD   LYS   1          HD1       LYS   1  -0.003  11.250  -2.783
   11   1HE   LYS   1          HE2       LYS   1  -0.288   8.738  -1.820
   12   2HE   LYS   1          HE1       LYS   1   1.101   8.488  -2.896
   13   1HZ   LYS   1          HZ1       LYS   1   2.388   9.930  -1.741
   14   2HZ   LYS   1          HZ2       LYS   1   1.369   9.479  -0.456
   15   3HZ   LYS   1          HZ3       LYS   1   1.089  10.928  -1.299
   16    H    ASP   2           HN       ASP   2  -1.981   7.450  -6.734
   17    HA   ASP   2           HA       ASP   2  -3.150   5.643  -4.642
   18   1HB   ASP   2          HB2       ASP   2  -2.323   4.853  -7.438
   19   2HB   ASP   2          HB1       ASP   2  -3.497   4.071  -6.380
   20    H    GLY   3           HN       GLY   3  -1.765   3.934  -3.872
   21   1HA   GLY   3          HA2       GLY   3   0.865   3.435  -4.888
   22   2HA   GLY   3          HA1       GLY   3   0.975   4.569  -3.545
   23    H    TYR   4           HN       TYR   4   2.229   2.625  -2.680
   24    HA   TYR   4           HA       TYR   4   0.418   0.548  -1.514
   25   1HB   TYR   4          HB2       TYR   4   3.448   0.668  -1.707
   26   2HB   TYR   4          HB1       TYR   4   2.479  -0.740  -1.279
   27    HD1  TYR   4           HD1      TYR   4   1.552  -2.145  -2.944
   28    HD2  TYR   4           HD2      TYR   4   3.193   1.672  -4.035
   29    HE1  TYR   4           HE1      TYR   4   1.351  -2.745  -5.341
   30    HE2  TYR   4           HE2      TYR   4   2.988   1.073  -6.434
   31    HH   TYR   4           HH       TYR   4   1.111  -1.308  -7.580
   32    HA   PRO   5           HA       PRO   5   0.952   2.681   2.326
   33   1HB   PRO   5          HB2       PRO   5  -0.068   0.756   3.968
   34   2HB   PRO   5          HB1       PRO   5  -1.086   1.790   2.946
   35   1HG   PRO   5          HG2       PRO   5  -0.231  -1.026   2.526
   36   2HG   PRO   5          HG1       PRO   5  -1.769  -0.242   2.137
   37   1HD   PRO   5          HD2       PRO   5   0.194  -0.785   0.296
   38   2HD   PRO   5          HD1       PRO   5  -1.022   0.498   0.110
   39    H    VAL   6           HN       VAL   6   2.627   2.763   3.792
   40    HA   VAL   6           HA       VAL   6   4.322   0.300   4.107
   41    HB   VAL   6           HB       VAL   6   6.187   2.042   4.348
   42   1HG1  VAL   6          HG11      VAL   6   6.285   0.904   2.329
   43   2HG1  VAL   6          HG12      VAL   6   6.001   2.546   1.752
   44   3HG1  VAL   6          HG13      VAL   6   4.662   1.402   1.849
   45   1HG2  VAL   6          HG21      VAL   6   5.785   4.267   3.639
   46   2HG2  VAL   6          HG22      VAL   6   4.415   3.896   4.687
   47   3HG2  VAL   6          HG23      VAL   6   4.223   3.850   2.934
   48    H    ASP   7           HN       ASP   7   5.653   0.390   6.156
   49    HA   ASP   7           HA       ASP   7   3.965   1.454   8.384
   50   1HB   ASP   7          HB2       ASP   7   5.253  -0.259   9.691
   51   2HB   ASP   7          HB1       ASP   7   4.369  -0.952   8.331
   52    H    SER   8           HN       SER   8   5.501   1.882  10.427
   53    HA   SER   8           HA       SER   8   6.971   4.246   9.984
   54   1HB   SER   8          HB2       SER   8   7.481   4.046  12.271
   55   2HB   SER   8          HB1       SER   8   6.041   3.043  12.121
   56    HG   SER   8           HG       SER   8   7.541   1.822  13.177
   57    H    LYS   9           HN       LYS   9   7.888   0.964   9.399
   58    HA   LYS   9           HA       LYS   9  10.777   1.379   9.567
   59   1HB   LYS   9          HB2       LYS   9   9.362  -0.769   9.859
   60   2HB   LYS   9          HB1       LYS   9   9.299  -0.808   8.096
   61   1HG   LYS   9          HG2       LYS   9  11.598  -1.162   7.888
   62   2HG   LYS   9          HG1       LYS   9  11.947  -0.477   9.476
   63   1HD   LYS   9          HD2       LYS   9  12.142  -3.005   9.336
   64   2HD   LYS   9          HD1       LYS   9  11.062  -2.409  10.597
   65   1HE   LYS   9          HE2       LYS   9   9.111  -2.946   9.329
   66   2HE   LYS   9          HE1       LYS   9  10.053  -3.175   7.842
   67   1HZ   LYS   9          HZ1       LYS   9  11.177  -5.030   8.815
   68   2HZ   LYS   9          HZ2       LYS   9   9.507  -5.287   8.997
   69   3HZ   LYS   9          HZ3       LYS   9  10.438  -4.768  10.319
   70    H    GLY  10           HN       GLY  10   8.305   1.452   7.011
   71   1HA   GLY  10          HA2       GLY  10   8.696   2.915   5.065
   72   2HA   GLY  10          HA1       GLY  10  10.410   2.507   5.170
   73    H    CYS  11           HN       CYS  11   8.120  -0.031   5.674
   74    HA   CYS  11           HA       CYS  11   8.852  -1.163   2.998
   75   1HB   CYS  11          HB2       CYS  11   8.068  -2.444   5.637
   76   2HB   CYS  11          HB1       CYS  11   8.451  -3.336   4.164
   77    H    LYS  12           HN       LYS  12   7.182  -1.761   1.626
   78    HA   LYS  12           HA       LYS  12   4.561  -0.723   1.901
   79   1HB   LYS  12          HB2       LYS  12   5.517  -3.150   0.346
   80   2HB   LYS  12          HB1       LYS  12   4.106  -2.161  -0.033
   81   1HG   LYS  12          HG2       LYS  12   5.840  -0.189  -0.066
   82   2HG   LYS  12          HG1       LYS  12   7.020  -1.478  -0.301
   83   1HD   LYS  12          HD2       LYS  12   4.568  -1.003  -2.023
   84   2HD   LYS  12          HD1       LYS  12   6.227  -0.602  -2.469
   85   1HE   LYS  12          HE2       LYS  12   5.703  -3.413  -1.597
   86   2HE   LYS  12          HE1       LYS  12   5.126  -2.930  -3.205
   87   1HZ   LYS  12          HZ1       LYS  12   7.316  -3.496  -3.617
   88   2HZ   LYS  12          HZ2       LYS  12   7.874  -2.881  -2.134
   89   3HZ   LYS  12          HZ3       LYS  12   7.427  -1.821  -3.385
   90    H    LEU  13           HN       LEU  13   2.550  -2.251   1.881
   91    HA   LEU  13           HA       LEU  13   2.779  -4.067   4.242
   92   1HB   LEU  13          HB2       LEU  13   1.224  -2.136   4.286
   93   2HB   LEU  13          HB1       LEU  13   0.401  -2.778   2.864
   94    HG   LEU  13           HG       LEU  13  -0.121  -4.852   4.141
   95   1HD1  LEU  13          HD11      LEU  13   0.172  -4.709   6.647
   96   2HD1  LEU  13          HD12      LEU  13   1.183  -3.288   6.387
   97   3HD1  LEU  13          HD13      LEU  13   1.684  -4.854   5.750
   98   1HD2  LEU  13          HD21      LEU  13  -1.932  -3.903   5.367
   99   2HD2  LEU  13          HD22      LEU  13  -1.615  -2.762   4.061
  100   3HD2  LEU  13          HD23      LEU  13  -1.035  -2.421   5.691
  101    H    SER  14           HN       SER  14   3.438  -6.044   3.246
  102    HA   SER  14           HA       SER  14   2.492  -7.133   0.813
  103   1HB   SER  14          HB2       SER  14   3.215  -8.563   3.392
  104   2HB   SER  14          HB1       SER  14   3.273  -9.253   1.773
  105    HG   SER  14           HG       SER  14   4.673  -7.177   1.479
  106    H    CYS  15           HN       CYS  15   0.660  -8.406   0.305
  107    HA   CYS  15           HA       CYS  15  -1.296  -8.948   2.494
  108   1HB   CYS  15          HB2       CYS  15  -3.055  -7.965   0.948
  109   2HB   CYS  15          HB1       CYS  15  -1.915  -6.791   1.605
  110    H    VAL  16           HN       VAL  16  -2.899 -10.561   1.877
  111    HA   VAL  16           HA       VAL  16  -2.193 -12.138  -0.573
  112    HB   VAL  16           HB       VAL  16  -1.334 -12.981   1.703
  113   1HG1  VAL  16          HG11      VAL  16  -2.790 -13.402   3.376
  114   2HG1  VAL  16          HG12      VAL  16  -3.895 -14.251   2.294
  115   3HG1  VAL  16          HG13      VAL  16  -3.978 -12.494   2.439
  116   1HG2  VAL  16          HG21      VAL  16  -2.993 -14.517  -0.264
  117   2HG2  VAL  16          HG22      VAL  16  -2.416 -15.348   1.180
  118   3HG2  VAL  16          HG23      VAL  16  -1.263 -14.621   0.061
  119    H    ALA  17           HN       ALA  17  -4.450 -10.211   0.590
  120    HA   ALA  17           HA       ALA  17  -6.674 -11.694  -0.696
  121   1HB   ALA  17          HB1       ALA  17  -6.247 -11.344   2.174
  122   2HB   ALA  17          HB2       ALA  17  -7.407 -12.379   1.339
  123   3HB   ALA  17          HB3       ALA  17  -7.800 -10.689   1.654
  124    H    ASN  18           HN       ASN  18  -8.067 -10.250  -1.722
  125    HA   ASN  18           HA       ASN  18  -7.326  -7.458  -1.908
  126   1HB   ASN  18          HB2       ASN  18  -9.435  -9.305  -2.945
  127   2HB   ASN  18          HB1       ASN  18  -9.738  -7.571  -3.071
  128   1HD2  ASN  18          HD21      ASN  18  -9.021  -9.626  -5.223
  129   2HD2  ASN  18          HD22      ASN  18  -7.664  -8.967  -6.000
  130    H    ASN  19           HN       ASN  19  -9.891  -9.224  -0.187
  131    HA   ASN  19           HA       ASN  19 -11.482  -7.056   0.675
  132   1HB   ASN  19          HB2       ASN  19 -11.883  -8.654   2.655
  133   2HB   ASN  19          HB1       ASN  19 -12.180  -9.310   1.047
  134   1HD2  ASN  19          HD21      ASN  19 -10.614  -9.979   3.934
  135   2HD2  ASN  19          HD22      ASN  19  -9.470 -11.097   3.366
  136    H    TYR  20           HN       TYR  20  -8.453  -8.342   2.040
  137    HA   TYR  20           HA       TYR  20  -8.394  -6.764   4.421
  138   1HB   TYR  20          HB2       TYR  20  -6.950  -8.685   4.050
  139   2HB   TYR  20          HB1       TYR  20  -6.223  -7.914   2.640
  140    HD1  TYR  20           HD1      TYR  20  -7.059  -6.645   6.067
  141    HD2  TYR  20           HD2      TYR  20  -4.010  -7.345   3.125
  142    HE1  TYR  20           HE1      TYR  20  -5.395  -5.528   7.527
  143    HE2  TYR  20           HE2      TYR  20  -2.345  -6.228   4.585
  144    HH   TYR  20           HH       TYR  20  -3.153  -4.296   7.146
  145    H    CYS  21           HN       CYS  21  -7.124  -6.130   1.139
  146    HA   CYS  21           HA       CYS  21  -5.985  -3.550   1.830
  147   1HB   CYS  21          HB2       CYS  21  -6.616  -5.125  -0.653
  148   2HB   CYS  21          HB1       CYS  21  -6.133  -3.435  -0.803
  149    H    ASP  22           HN       ASP  22  -9.059  -4.626   0.384
  150    HA   ASP  22           HA       ASP  22 -10.146  -2.141  -0.386
  151   1HB   ASP  22          HB2       ASP  22 -11.126  -4.358  -0.838
  152   2HB   ASP  22          HB1       ASP  22 -11.472  -4.564   0.880
  153    H    ASN  23           HN       ASN  23 -10.520  -3.799   2.772
  154    HA   ASN  23           HA       ASN  23 -11.853  -1.571   4.044
  155   1HB   ASN  23          HB2       ASN  23 -11.882  -4.046   4.651
  156   2HB   ASN  23          HB1       ASN  23 -10.263  -3.818   5.315
  157   1HD2  ASN  23          HD21      ASN  23 -10.838  -4.074   7.553
  158   2HD2  ASN  23          HD22      ASN  23 -11.855  -2.985   8.366
  159    H    GLN  24           HN       GLN  24  -8.471  -2.734   4.031
  160    HA   GLN  24           HA       GLN  24  -7.393  -0.875   5.895
  161   1HB   GLN  24          HB2       GLN  24  -6.154  -2.797   5.123
  162   2HB   GLN  24          HB1       GLN  24  -6.283  -2.272   3.444
  163   1HG   GLN  24          HG2       GLN  24  -4.052  -1.748   4.317
  164   2HG   GLN  24          HG1       GLN  24  -4.938  -0.259   3.988
  165   1HE2  GLN  24          HE21      GLN  24  -4.053   1.104   5.611
  166   2HE2  GLN  24          HE22      GLN  24  -4.162   0.773   7.272
  167    H    CYS  25           HN       CYS  25  -7.068  -0.678   2.331
  168    HA   CYS  25           HA       CYS  25  -6.156   1.923   2.058
  169   1HB   CYS  25          HB2       CYS  25  -8.188   0.338   0.462
  170   2HB   CYS  25          HB1       CYS  25  -7.474   1.843  -0.120
  171    H    LYS  26           HN       LYS  26  -9.614   0.967   2.208
  172    HA   LYS  26           HA       LYS  26 -10.841   3.465   2.081
  173   1HB   LYS  26          HB2       LYS  26 -11.903   1.196   2.287
  174   2HB   LYS  26          HB1       LYS  26 -11.498   1.208   4.003
  175   1HG   LYS  26          HG2       LYS  26 -13.819   1.957   3.659
  176   2HG   LYS  26          HG1       LYS  26 -12.831   3.271   4.299
  177   1HD   LYS  26          HD2       LYS  26 -12.755   3.188   1.386
  178   2HD   LYS  26          HD1       LYS  26 -14.402   3.368   1.992
  179   1HE   LYS  26          HE2       LYS  26 -13.684   5.285   3.388
  180   2HE   LYS  26          HE1       LYS  26 -12.033   5.115   2.760
  181   1HZ   LYS  26          HZ1       LYS  26 -13.835   6.641   1.573
  182   2HZ   LYS  26          HZ2       LYS  26 -14.198   5.170   0.806
  183   3HZ   LYS  26          HZ3       LYS  26 -12.632   5.820   0.705
  184    H    MET  27           HN       MET  27  -9.767   1.850   5.100
  185    HA   MET  27           HA       MET  27 -10.227   3.990   6.885
  186   1HB   MET  27          HB2       MET  27  -8.088   1.835   6.805
  187   2HB   MET  27          HB1       MET  27  -8.455   2.809   8.229
  188   1HG   MET  27          HG2       MET  27 -10.513   1.798   8.564
  189   2HG   MET  27          HG1       MET  27 -10.711   1.400   6.858
  190   1HE   MET  27          HE1       MET  27  -7.516  -0.614   9.471
  191   2HE   MET  27          HE2       MET  27  -8.398   0.847   9.909
  192   3HE   MET  27          HE3       MET  27  -7.294   0.871   8.536
  193    H    LYS  28           HN       LYS  28  -7.825   3.630   4.407
  194    HA   LYS  28           HA       LYS  28  -6.088   5.748   5.563
  195   1HB   LYS  28          HB2       LYS  28  -5.959   3.673   3.415
  196   2HB   LYS  28          HB1       LYS  28  -4.936   5.099   3.235
  197   1HG   LYS  28          HG2       LYS  28  -5.029   3.500   5.799
  198   2HG   LYS  28          HG1       LYS  28  -3.900   3.123   4.497
  199   1HD   LYS  28          HD2       LYS  28  -3.553   5.827   4.734
  200   2HD   LYS  28          HD1       LYS  28  -3.885   5.375   6.406
  201   1HE   LYS  28          HE2       LYS  28  -2.069   3.769   6.408
  202   2HE   LYS  28          HE1       LYS  28  -1.813   3.991   4.665
  203   1HZ   LYS  28          HZ1       LYS  28  -1.340   6.319   5.050
  204   2HZ   LYS  28          HZ2       LYS  28  -0.288   5.361   5.977
  205   3HZ   LYS  28          HZ3       LYS  28  -1.609   6.135   6.715
  206    H    LYS  29           HN       LYS  29  -8.924   6.087   4.294
  207    HA   LYS  29           HA       LYS  29  -9.963   7.844   3.095
  208   1HB   LYS  29          HB2       LYS  29  -7.855   8.943   4.264
  209   2HB   LYS  29          HB1       LYS  29  -7.249   9.030   2.610
  210   1HG   LYS  29          HG2       LYS  29  -9.101  10.361   1.898
  211   2HG   LYS  29          HG1       LYS  29  -9.991  10.042   3.388
  212   1HD   LYS  29          HD2       LYS  29  -7.295  11.321   3.604
  213   2HD   LYS  29          HD1       LYS  29  -8.648  12.315   3.061
  214   1HE   LYS  29          HE2       LYS  29  -9.793  12.105   5.090
  215   2HE   LYS  29          HE1       LYS  29  -8.981  10.582   5.501
  216   1HZ   LYS  29          HZ1       LYS  29  -7.345  11.696   6.483
  217   2HZ   LYS  29          HZ2       LYS  29  -8.210  13.139   6.250
  218   3HZ   LYS  29          HZ3       LYS  29  -7.070  12.633   5.096
  219    H    ALA  30           HN       ALA  30  -8.764   5.408   1.761
  220    HA   ALA  30           HA       ALA  30  -8.106   6.522  -0.932
  221   1HB   ALA  30          HB1       ALA  30  -7.931   3.682  -0.818
  222   2HB   ALA  30          HB2       ALA  30  -7.262   4.301   0.692
  223   3HB   ALA  30          HB3       ALA  30  -6.600   4.839  -0.851
  224    H    SER  31           HN       SER  31  -8.984   4.716  -2.662
  225    HA   SER  31           HA       SER  31 -11.873   4.201  -2.060
  226   1HB   SER  31          HB2       SER  31 -12.404   5.801  -3.568
  227   2HB   SER  31          HB1       SER  31 -10.693   6.138  -3.811
  228    HG   SER  31           HG       SER  31 -11.855   5.454  -5.723
  229    H    GLY  32           HN       GLY  32  -9.076   3.520  -4.158
  230   1HA   GLY  32          HA2       GLY  32 -10.347   0.947  -4.962
  231   2HA   GLY  32          HA1       GLY  32  -8.984   1.705  -5.786
  232    H    GLY  33           HN       GLY  33  -9.919  -0.023  -2.835
  233   1HA   GLY  33          HA2       GLY  33  -7.053  -0.440  -2.184
  234   2HA   GLY  33          HA1       GLY  33  -8.411  -0.827  -1.127
  235    H    HIS  34           HN       HIS  34  -6.081  -2.236  -2.967
  236    HA   HIS  34           HA       HIS  34  -7.499  -4.820  -2.988
  237   1HB   HIS  34          HB2       HIS  34  -7.098  -5.071  -5.445
  238   2HB   HIS  34          HB1       HIS  34  -8.200  -3.745  -5.072
  239    HD1  HIS  34           HD1      HIS  34  -7.667  -1.710  -6.390
  240    HD2  HIS  34           HD2      HIS  34  -4.220  -3.864  -5.464
  241    HE1  HIS  34           HE1      HIS  34  -5.729  -0.426  -7.394
  242    H    CYS  35           HN       CYS  35  -5.990  -6.597  -3.259
  243    HA   CYS  35           HA       CYS  35  -3.217  -5.883  -2.533
  244   1HB   CYS  35          HB2       CYS  35  -4.559  -7.645  -1.376
  245   2HB   CYS  35          HB1       CYS  35  -4.601  -8.562  -2.883
  246    H    TYR  36           HN       TYR  36  -1.774  -5.537  -4.172
  247    HA   TYR  36           HA       TYR  36  -2.001  -7.234  -6.639
  248   1HB   TYR  36          HB2       TYR  36  -2.535  -4.588  -6.496
  249   2HB   TYR  36          HB1       TYR  36  -0.793  -4.513  -6.758
  250    HD1  TYR  36           HD1      TYR  36  -4.018  -5.633  -8.175
  251    HD2  TYR  36           HD2      TYR  36   0.210  -5.257  -8.832
  252    HE1  TYR  36           HE1      TYR  36  -4.350  -6.114 -10.586
  253    HE2  TYR  36           HE2      TYR  36  -0.121  -5.740 -11.242
  254    HH   TYR  36           HH       TYR  36  -2.730  -5.416 -12.838
  255    H    ALA  37           HN       ALA  37  -0.067  -8.188  -7.294
  256    HA   ALA  37           HA       ALA  37   2.183  -8.907  -7.122
  257   1HB   ALA  37          HB1       ALA  37   3.569  -6.670  -6.375
  258   2HB   ALA  37          HB2       ALA  37   2.052  -5.955  -6.920
  259   3HB   ALA  37          HB3       ALA  37   2.996  -6.963  -8.017
  260    H    MET  38           HN       MET  38   0.691  -9.545  -4.851
  261    HA   MET  38           HA       MET  38   0.921 -10.079  -2.560
  262   1HB   MET  38          HB2       MET  38   3.003 -10.997  -3.754
  263   2HB   MET  38          HB1       MET  38   3.856  -9.591  -3.115
  264   1HG   MET  38          HG2       MET  38   4.215 -11.318  -1.515
  265   2HG   MET  38          HG1       MET  38   2.966 -10.289  -0.815
  266   1HE   MET  38          HE1       MET  38   4.129 -13.400  -0.829
  267   2HE   MET  38          HE2       MET  38   3.749 -13.805  -2.501
  268   3HE   MET  38          HE3       MET  38   2.897 -14.616  -1.189
  269    H    SER  39           HN       SER  39   0.986  -7.096  -3.547
  270    HA   SER  39           HA       SER  39   1.843  -5.976  -0.902
  271   1HB   SER  39          HB2       SER  39   2.245  -4.736  -3.643
  272   2HB   SER  39          HB1       SER  39   2.824  -4.093  -2.109
  273    HG   SER  39           HG       SER  39   3.523  -6.641  -3.149
  274    H    CYS  40           HN       CYS  40   0.409  -4.438  -0.069
  275    HA   CYS  40           HA       CYS  40  -2.252  -4.289  -1.237
  276   1HB   CYS  40          HB2       CYS  40  -1.382  -4.243   1.241
  277   2HB   CYS  40          HB1       CYS  40  -1.196  -2.514   0.951
  278    H    TYR  41           HN       TYR  41  -3.158  -2.577  -2.370
  279    HA   TYR  41           HA       TYR  41  -1.504  -0.115  -2.770
  280   1HB   TYR  41          HB2       TYR  41  -1.279  -1.896  -4.594
  281   2HB   TYR  41          HB1       TYR  41  -2.979  -1.602  -4.960
  282    HD1  TYR  41           HD1      TYR  41  -3.654   0.278  -6.236
  283    HD2  TYR  41           HD2      TYR  41   0.355   0.050  -4.713
  284    HE1  TYR  41           HE1      TYR  41  -3.025   2.254  -7.596
  285    HE2  TYR  41           HE2      TYR  41   0.986   2.022  -6.076
  286    HH   TYR  41           HH       TYR  41   0.302   3.289  -7.900
  287    H    CYS  42           HN       CYS  42  -2.760   1.704  -2.506
  288    HA   CYS  42           HA       CYS  42  -5.733   1.338  -2.530
  289   1HB   CYS  42          HB2       CYS  42  -4.044   3.447  -1.152
  290   2HB   CYS  42          HB1       CYS  42  -5.753   3.114  -0.882
  291    H    GLU  43           HN       GLU  43  -6.953   2.674  -3.836
  292    HA   GLU  43           HA       GLU  43  -5.458   4.561  -5.614
  293   1HB   GLU  43          HB2       GLU  43  -6.779   2.483  -6.418
  294   2HB   GLU  43          HB1       GLU  43  -8.224   3.413  -6.025
  295   1HG   GLU  43          HG2       GLU  43  -6.403   5.069  -7.516
  296   2HG   GLU  43          HG1       GLU  43  -6.673   3.562  -8.391
  297    H    GLY  44           HN       GLY  44  -5.588   6.448  -4.253
  298   1HA   GLY  44          HA2       GLY  44  -7.401   8.363  -4.496
  299   2HA   GLY  44          HA1       GLY  44  -8.308   7.305  -3.418
  300    H    LEU  45           HN       LEU  45  -5.091   6.939  -2.579
  301    HA   LEU  45           HA       LEU  45  -5.343   8.166  -0.040
  302   1HB   LEU  45          HB2       LEU  45  -2.916   7.573  -1.766
  303   2HB   LEU  45          HB1       LEU  45  -2.852   7.907  -0.036
  304    HG   LEU  45           HG       LEU  45  -4.178   5.568  -1.419
  305   1HD1  LEU  45          HD11      LEU  45  -1.634   5.879  -0.486
  306   2HD1  LEU  45          HD12      LEU  45  -2.474   4.329  -0.557
  307   3HD1  LEU  45          HD13      LEU  45  -2.440   5.248   0.950
  308   1HD2  LEU  45          HD21      LEU  45  -4.896   4.922   0.917
  309   2HD2  LEU  45          HD22      LEU  45  -5.740   6.329   0.271
  310   3HD2  LEU  45          HD23      LEU  45  -4.440   6.542   1.443
  311    HA   PRO  46           HA       PRO  46  -4.633  12.432  -0.737
  312   1HB   PRO  46          HB2       PRO  46  -2.999  13.103   1.361
  313   2HB   PRO  46          HB1       PRO  46  -4.728  12.749   1.550
  314   1HG   PRO  46          HG2       PRO  46  -2.372  11.015   2.088
  315   2HG   PRO  46          HG1       PRO  46  -3.890  11.168   2.986
  316   1HD   PRO  46          HD2       PRO  46  -3.352   9.113   1.280
  317   2HD   PRO  46          HD1       PRO  46  -4.994   9.693   1.626
  318    H    GLU  47           HN       GLU  47  -2.947  14.018  -1.342
  319    HA   GLU  47           HA       GLU  47  -0.933  12.996  -3.048
  320   1HB   GLU  47          HB2       GLU  47  -1.871  15.217  -3.249
  321   2HB   GLU  47          HB1       GLU  47  -1.305  15.652  -1.636
  322   1HG   GLU  47          HG2       GLU  47   0.329  16.607  -3.015
  323   2HG   GLU  47          HG1       GLU  47   1.060  15.063  -2.580
  324    H    ASN  48           HN       ASN  48  -0.901  13.409   0.402
  325    HA   ASN  48           HA       ASN  48   2.063  12.925   0.411
  326   1HB   ASN  48          HB2       ASN  48   2.139  14.275   2.408
  327   2HB   ASN  48          HB1       ASN  48   1.182  15.164   1.224
  328   1HD2  ASN  48          HD21      ASN  48  -1.049  15.535   1.695
  329   2HD2  ASN  48          HD22      ASN  48  -1.789  15.027   3.136
  330    H    ALA  49           HN       ALA  49  -0.208  10.926   0.406
  331    HA   ALA  49           HA       ALA  49  -0.625   9.857   3.024
  332   1HB   ALA  49          HB1       ALA  49  -0.413   8.094   0.617
  333   2HB   ALA  49          HB2       ALA  49  -1.612   9.387   0.584
  334   3HB   ALA  49          HB3       ALA  49  -1.676   8.157   1.846
  335    H    LYS  50           HN       LYS  50   0.425   7.985   3.994
  336    HA   LYS  50           HA       LYS  50   3.338   7.965   3.585
  337   1HB   LYS  50          HB2       LYS  50   1.916   7.859   5.777
  338   2HB   LYS  50          HB1       LYS  50   1.757   6.144   5.394
  339   1HG   LYS  50          HG2       LYS  50   4.428   6.471   5.025
  340   2HG   LYS  50          HG1       LYS  50   4.139   7.663   6.293
  341   1HD   LYS  50          HD2       LYS  50   2.916   5.867   7.578
  342   2HD   LYS  50          HD1       LYS  50   3.473   4.710   6.371
  343   1HE   LYS  50          HE2       LYS  50   5.422   4.518   7.508
  344   2HE   LYS  50          HE1       LYS  50   5.753   6.227   7.165
  345   1HZ   LYS  50          HZ1       LYS  50   5.154   6.819   9.217
  346   2HZ   LYS  50          HZ2       LYS  50   5.229   5.173   9.629
  347   3HZ   LYS  50          HZ3       LYS  50   3.748   5.872   9.186
  348    H    VAL  51           HN       VAL  51   3.129   7.037   1.318
  349    HA   VAL  51           HA       VAL  51   2.826   4.056   1.446
  350    HB   VAL  51           HB       VAL  51   2.035   4.377  -0.980
  351   1HG1  VAL  51          HG11      VAL  51   0.689   4.465   1.475
  352   2HG1  VAL  51          HG12      VAL  51  -0.026   4.137  -0.103
  353   3HG1  VAL  51          HG13      VAL  51  -0.009   5.782   0.533
  354   1HG2  VAL  51          HG21      VAL  51   1.157   7.110  -0.299
  355   2HG2  VAL  51          HG22      VAL  51   1.763   6.473  -1.827
  356   3HG2  VAL  51          HG23      VAL  51   2.894   6.956  -0.563
  357    H    SER  52           HN       SER  52   4.015   3.001  -0.445
  358    HA   SER  52           HA       SER  52   6.729   4.158  -0.637
  359   1HB   SER  52          HB2       SER  52   6.042   1.729  -0.082
  360   2HB   SER  52          HB1       SER  52   5.685   1.570  -1.799
  361    HG   SER  52           HG       SER  52   8.159   2.358  -0.641
  362    H    ASP  53           HN       ASP  53   7.499   5.116  -2.499
  363    HA   ASP  53           HA       ASP  53   5.711   5.086  -4.900
  364   1HB   ASP  53          HB2       ASP  53   6.569   7.256  -5.343
  365   2HB   ASP  53          HB1       ASP  53   6.392   7.217  -3.589
  366    H    SER  54           HN       SER  54   7.979   3.167  -3.947
  367    HA   SER  54           HA       SER  54   9.592   3.282  -6.476
  368   1HB   SER  54          HB2       SER  54  11.408   2.346  -5.126
  369   2HB   SER  54          HB1       SER  54  10.786   3.792  -4.335
  370    HG   SER  54           HG       SER  54  10.917   2.191  -2.800
  371    H    ALA  55           HN       ALA  55   8.373   1.792  -7.701
  372    HA   ALA  55           HA       ALA  55   7.186  -0.610  -6.694
  373   1HB   ALA  55          HB1       ALA  55   7.733   0.743  -9.227
  374   2HB   ALA  55          HB2       ALA  55   6.343  -0.238  -8.765
  375   3HB   ALA  55          HB3       ALA  55   7.802  -1.012  -9.383
  376    H    THR  56           HN       THR  56  10.468   0.196  -7.141
  377    HA   THR  56           HA       THR  56  11.212  -2.712  -7.211
  378    HB   THR  56           HB       THR  56  12.559  -0.248  -8.360
  379    HG1  THR  56           HG1      THR  56  10.711  -1.676  -9.330
  380   1HG2  THR  56          HG21      THR  56  13.788  -2.576  -7.386
  381   2HG2  THR  56          HG22      THR  56  14.505  -1.374  -8.459
  382   3HG2  THR  56          HG23      THR  56  13.706  -2.794  -9.134
  383    H    ASN  57           HN       ASN  57  10.948  -2.371  -4.748
  384    HA   ASN  57           HA       ASN  57  13.600  -1.641  -3.624
  385   1HB   ASN  57          HB2       ASN  57  12.634  -0.085  -2.053
  386   2HB   ASN  57          HB1       ASN  57  12.032   0.362  -3.649
  387   1HD2  ASN  57          HD21      ASN  57  10.762   0.699  -0.889
  388   2HD2  ASN  57          HD22      ASN  57   9.237  -0.030  -1.033
  389    H    ILE  58           HN       ILE  58  14.130  -2.987  -1.903
  390    HA   ILE  58           HA       ILE  58  11.946  -4.595  -0.640
  391    HB   ILE  58           HB       ILE  58  13.067  -5.771  -2.575
  392   1HG1  ILE  58          HG12      ILE  58  13.989  -7.594  -0.633
  393   2HG1  ILE  58          HG11      ILE  58  12.682  -6.699   0.145
  394   1HG2  ILE  58          HG21      ILE  58  15.476  -6.248  -0.912
  395   2HG2  ILE  58          HG22      ILE  58  15.353  -4.643  -1.633
  396   3HG2  ILE  58          HG23      ILE  58  15.332  -6.076  -2.661
  397   1HD1  ILE  58          HD11      ILE  58  12.046  -7.417  -2.617
  398   2HD1  ILE  58          HD12      ILE  58  11.111  -7.683  -1.147
  399   3HD1  ILE  58          HD13      ILE  58  12.366  -8.830  -1.612
  400    H    CYS  59           HN       CYS  59  12.129  -4.188   1.527
  401    HA   CYS  59           HA       CYS  59  14.801  -3.532   2.673
  402   1HB   CYS  59          HB2       CYS  59  13.391  -2.784   4.600
  403   2HB   CYS  59          HB1       CYS  59  12.936  -2.000   3.089
  404    H    GLY  60           HN       GLY  60  15.796  -5.550   3.029
  405   1HA   GLY  60          HA2       GLY  60  14.773  -7.121   5.260
  406   2HA   GLY  60          HA1       GLY  60  14.699  -7.989   3.725
  Start of MODEL    6
    1   1H    LYS   1          HT1       LYS   1  -4.792  11.047  -3.641
    2   2H    LYS   1          HT2       LYS   1  -4.453   9.703  -2.658
    3   3H    LYS   1          HT3       LYS   1  -5.661   9.605  -3.849
    4    HA   LYS   1           HA       LYS   1  -3.974   9.880  -5.591
    5   1HB   LYS   1          HB2       LYS   1  -1.712  10.211  -4.982
    6   2HB   LYS   1          HB1       LYS   1  -2.589  11.185  -3.802
    7   1HG   LYS   1          HG2       LYS   1  -2.524   9.212  -2.235
    8   2HG   LYS   1          HG1       LYS   1  -1.468   8.399  -3.390
    9   1HD   LYS   1          HD2       LYS   1   0.253  10.023  -3.114
   10   2HD   LYS   1          HD1       LYS   1  -0.831  11.137  -2.279
   11   1HE   LYS   1          HE2       LYS   1  -1.054   9.450  -0.426
   12   2HE   LYS   1          HE1       LYS   1   0.188   8.473  -1.234
   13   1HZ   LYS   1          HZ1       LYS   1   1.634  10.449  -1.230
   14   2HZ   LYS   1          HZ2       LYS   1   1.242   9.936   0.342
   15   3HZ   LYS   1          HZ3       LYS   1   0.468  11.290  -0.330
   16    H    ASP   2           HN       ASP   2  -2.917   7.931  -6.419
   17    HA   ASP   2           HA       ASP   2  -3.670   5.488  -4.876
   18   1HB   ASP   2          HB2       ASP   2  -2.827   5.765  -7.774
   19   2HB   ASP   2          HB1       ASP   2  -3.717   4.432  -7.038
   20    H    GLY   3           HN       GLY   3  -2.057   4.055  -4.195
   21   1HA   GLY   3          HA2       GLY   3   0.524   3.812  -5.388
   22   2HA   GLY   3          HA1       GLY   3   0.650   4.933  -4.035
   23    H    TYR   4           HN       TYR   4   2.133   3.073  -3.330
   24    HA   TYR   4           HA       TYR   4   0.630   0.794  -2.124
   25   1HB   TYR   4          HB2       TYR   4   3.576   1.374  -2.575
   26   2HB   TYR   4          HB1       TYR   4   2.949  -0.122  -1.879
   27    HD1  TYR   4           HD1      TYR   4   1.714  -1.731  -3.242
   28    HD2  TYR   4           HD2      TYR   4   3.225   1.917  -4.932
   29    HE1  TYR   4           HE1      TYR   4   1.319  -2.625  -5.521
   30    HE2  TYR   4           HE2      TYR   4   2.831   1.024  -7.211
   31    HH   TYR   4           HH       TYR   4   2.410  -0.885  -8.387
   32    HA   PRO   5           HA       PRO   5   1.141   3.015   1.714
   33   1HB   PRO   5          HB2       PRO   5  -0.348   1.314   3.243
   34   2HB   PRO   5          HB1       PRO   5  -1.072   2.501   2.141
   35   1HG   PRO   5          HG2       PRO   5  -0.779  -0.422   1.834
   36   2HG   PRO   5          HG1       PRO   5  -2.024   0.663   1.204
   37   1HD   PRO   5          HD2       PRO   5   0.126  -0.394  -0.238
   38   2HD   PRO   5          HD1       PRO   5  -0.910   0.958  -0.742
   39    H    VAL   6           HN       VAL   6   2.618   2.758   3.409
   40    HA   VAL   6           HA       VAL   6   3.957   0.078   3.640
   41    HB   VAL   6           HB       VAL   6   5.924   1.476   4.346
   42   1HG1  VAL   6          HG11      VAL   6   6.088   2.640   1.989
   43   2HG1  VAL   6          HG12      VAL   6   4.592   1.762   1.672
   44   3HG1  VAL   6          HG13      VAL   6   6.058   0.880   2.099
   45   1HG2  VAL   6          HG21      VAL   6   3.913   3.466   4.551
   46   2HG2  VAL   6          HG22      VAL   6   4.978   3.962   3.236
   47   3HG2  VAL   6          HG23      VAL   6   5.642   3.655   4.840
   48    H    ASP   7           HN       ASP   7   5.046  -0.115   5.906
   49    HA   ASP   7           HA       ASP   7   2.961   0.511   7.933
   50   1HB   ASP   7          HB2       ASP   7   4.339  -1.152   9.261
   51   2HB   ASP   7          HB1       ASP   7   3.681  -1.789   7.753
   52    H    SER   8           HN       SER   8   3.934   1.028  10.198
   53    HA   SER   8           HA       SER   8   5.065   3.547  10.321
   54   1HB   SER   8          HB2       SER   8   5.877   2.746  12.610
   55   2HB   SER   8          HB1       SER   8   4.174   2.461  12.263
   56    HG   SER   8           HG       SER   8   4.870   0.526  12.933
   57    H    LYS   9           HN       LYS   9   6.734   0.536   9.630
   58    HA   LYS   9           HA       LYS   9   9.410   1.654  10.095
   59   1HB   LYS   9          HB2       LYS   9   8.918  -0.709  10.464
   60   2HB   LYS   9          HB1       LYS   9   8.378  -0.885   8.793
   61   1HG   LYS   9          HG2       LYS   9  10.516  -1.515   8.368
   62   2HG   LYS   9          HG1       LYS   9  10.886   0.207   8.476
   63   1HD   LYS   9          HD2       LYS   9  10.817  -1.520  10.946
   64   2HD   LYS   9          HD1       LYS   9  12.267  -1.423   9.947
   65   1HE   LYS   9          HE2       LYS   9  11.226   1.240  10.400
   66   2HE   LYS   9          HE1       LYS   9  11.468   0.412  11.950
   67   1HZ   LYS   9          HZ1       LYS   9  13.419   1.240   9.994
   68   2HZ   LYS   9          HZ2       LYS   9  13.623  -0.364  10.512
   69   3HZ   LYS   9          HZ3       LYS   9  13.619   0.902  11.643
   70    H    GLY  10           HN       GLY  10   7.356   0.903   7.264
   71   1HA   GLY  10          HA2       GLY  10   7.598   2.610   5.395
   72   2HA   GLY  10          HA1       GLY  10   9.338   2.393   5.585
   73    H    CYS  11           HN       CYS  11   7.873  -0.554   6.123
   74    HA   CYS  11           HA       CYS  11   8.794  -1.592   3.533
   75   1HB   CYS  11          HB2       CYS  11   7.601  -2.733   6.066
   76   2HB   CYS  11          HB1       CYS  11   7.928  -3.746   4.660
   77    H    LYS  12           HN       LYS  12   7.463  -2.202   1.834
   78    HA   LYS  12           HA       LYS  12   4.840  -1.180   1.533
   79   1HB   LYS  12          HB2       LYS  12   6.437  -3.404   0.259
   80   2HB   LYS  12          HB1       LYS  12   4.805  -3.029  -0.296
   81   1HG   LYS  12          HG2       LYS  12   5.467  -0.701  -0.728
   82   2HG   LYS  12          HG1       LYS  12   7.095  -1.046  -0.141
   83   1HD   LYS  12          HD2       LYS  12   7.705  -1.942  -2.119
   84   2HD   LYS  12          HD1       LYS  12   6.268  -2.963  -2.169
   85   1HE   LYS  12          HE2       LYS  12   4.967  -1.276  -3.224
   86   2HE   LYS  12          HE1       LYS  12   6.138  -0.007  -2.814
   87   1HZ   LYS  12          HZ1       LYS  12   7.792  -1.184  -4.163
   88   2HZ   LYS  12          HZ2       LYS  12   6.456  -0.699  -5.094
   89   3HZ   LYS  12          HZ3       LYS  12   6.618  -2.322  -4.616
   90    H    LEU  13           HN       LEU  13   2.779  -2.128   1.859
   91    HA   LEU  13           HA       LEU  13   2.628  -4.203   3.918
   92   1HB   LEU  13          HB2       LEU  13   1.156  -2.171   3.724
   93   2HB   LEU  13          HB1       LEU  13   0.456  -2.876   2.267
   94    HG   LEU  13           HG       LEU  13  -0.175  -4.894   3.615
   95   1HD1  LEU  13          HD11      LEU  13   1.217  -4.960   5.478
   96   2HD1  LEU  13          HD12      LEU  13  -0.240  -4.257   6.181
   97   3HD1  LEU  13          HD13      LEU  13   1.116  -3.219   5.742
   98   1HD2  LEU  13          HD21      LEU  13  -1.334  -2.479   4.977
   99   2HD2  LEU  13          HD22      LEU  13  -2.156  -3.923   4.385
  100   3HD2  LEU  13          HD23      LEU  13  -1.590  -2.700   3.246
  101    H    SER  14           HN       SER  14   2.864  -6.330   3.322
  102    HA   SER  14           HA       SER  14   2.549  -7.329   0.648
  103   1HB   SER  14          HB2       SER  14   2.616  -8.588   3.403
  104   2HB   SER  14          HB1       SER  14   2.586  -9.543   1.924
  105    HG   SER  14           HG       SER  14   4.678  -8.529   3.086
  106    H    CYS  15           HN       CYS  15   0.581  -7.441  -0.394
  107    HA   CYS  15           HA       CYS  15  -1.906  -7.654   1.198
  108   1HB   CYS  15          HB2       CYS  15  -2.957  -7.177  -0.969
  109   2HB   CYS  15          HB1       CYS  15  -1.629  -6.054  -0.685
  110    H    VAL  16           HN       VAL  16  -3.127  -9.503   1.331
  111    HA   VAL  16           HA       VAL  16  -2.135 -11.918  -0.140
  112    HB   VAL  16           HB       VAL  16  -2.016 -11.841   2.367
  113   1HG1  VAL  16          HG11      VAL  16  -3.795 -11.249   3.636
  114   2HG1  VAL  16          HG12      VAL  16  -4.901 -12.252   2.698
  115   3HG1  VAL  16          HG13      VAL  16  -4.495 -10.629   2.140
  116   1HG2  VAL  16          HG21      VAL  16  -2.104 -14.049   1.686
  117   2HG2  VAL  16          HG22      VAL  16  -3.632 -13.835   0.834
  118   3HG2  VAL  16          HG23      VAL  16  -3.615 -13.974   2.591
  119    H    ALA  17           HN       ALA  17  -4.843  -9.803   0.381
  120    HA   ALA  17           HA       ALA  17  -6.394 -11.231  -1.686
  121   1HB   ALA  17          HB1       ALA  17  -8.202 -11.801  -0.259
  122   2HB   ALA  17          HB2       ALA  17  -7.631 -10.733   1.024
  123   3HB   ALA  17          HB3       ALA  17  -6.771 -12.233   0.677
  124    H    ASN  18           HN       ASN  18  -7.831  -9.804  -2.727
  125    HA   ASN  18           HA       ASN  18  -7.438  -7.045  -2.718
  126   1HB   ASN  18          HB2       ASN  18  -9.877  -8.751  -3.287
  127   2HB   ASN  18          HB1       ASN  18  -9.806  -7.033  -3.682
  128   1HD2  ASN  18          HD21      ASN  18  -9.474  -9.931  -5.157
  129   2HD2  ASN  18          HD22      ASN  18  -8.289  -9.556  -6.314
  130    H    ASN  19           HN       ASN  19  -9.925  -8.841  -0.871
  131    HA   ASN  19           HA       ASN  19 -11.199  -6.677   0.403
  132   1HB   ASN  19          HB2       ASN  19 -11.553  -8.478   2.222
  133   2HB   ASN  19          HB1       ASN  19 -12.085  -8.877   0.589
  134   1HD2  ASN  19          HD21      ASN  19 -10.470 -10.219   3.146
  135   2HD2  ASN  19          HD22      ASN  19  -9.450 -11.292   2.317
  136    H    TYR  20           HN       TYR  20  -8.280  -8.465   1.437
  137    HA   TYR  20           HA       TYR  20  -7.812  -7.239   3.922
  138   1HB   TYR  20          HB2       TYR  20  -6.486  -9.083   3.169
  139   2HB   TYR  20          HB1       TYR  20  -5.994  -8.222   1.712
  140    HD1  TYR  20           HD1      TYR  20  -5.897  -7.827   5.444
  141    HD2  TYR  20           HD2      TYR  20  -3.907  -7.175   1.692
  142    HE1  TYR  20           HE1      TYR  20  -3.929  -6.913   6.645
  143    HE2  TYR  20           HE2      TYR  20  -1.940  -6.261   2.895
  144    HH   TYR  20           HH       TYR  20  -1.283  -6.746   5.975
  145    H    CYS  21           HN       CYS  21  -7.080  -6.030   0.659
  146    HA   CYS  21           HA       CYS  21  -5.732  -3.627   1.687
  147   1HB   CYS  21          HB2       CYS  21  -6.462  -4.828  -0.967
  148   2HB   CYS  21          HB1       CYS  21  -5.973  -3.135  -0.894
  149    H    ASP  22           HN       ASP  22  -8.801  -4.333  -0.042
  150    HA   ASP  22           HA       ASP  22  -9.890  -1.797  -0.314
  151   1HB   ASP  22          HB2       ASP  22 -10.859  -4.113  -0.845
  152   2HB   ASP  22          HB1       ASP  22 -11.410  -4.155   0.830
  153    H    ASN  23           HN       ASN  23  -9.604  -3.704   2.666
  154    HA   ASN  23           HA       ASN  23 -11.041  -1.712   4.279
  155   1HB   ASN  23          HB2       ASN  23 -10.921  -4.268   4.580
  156   2HB   ASN  23          HB1       ASN  23  -9.296  -4.000   5.215
  157   1HD2  ASN  23          HD21      ASN  23  -9.100  -2.698   7.215
  158   2HD2  ASN  23          HD22      ASN  23 -10.431  -2.518   8.254
  159    H    GLN  24           HN       GLN  24  -7.699  -3.033   4.429
  160    HA   GLN  24           HA       GLN  24  -6.506  -1.187   6.129
  161   1HB   GLN  24          HB2       GLN  24  -5.320  -3.081   5.189
  162   2HB   GLN  24          HB1       GLN  24  -5.515  -2.452   3.553
  163   1HG   GLN  24          HG2       GLN  24  -3.332  -1.790   4.048
  164   2HG   GLN  24          HG1       GLN  24  -4.249  -0.355   4.509
  165   1HE2  GLN  24          HE21      GLN  24  -3.008   0.384   6.290
  166   2HE2  GLN  24          HE22      GLN  24  -2.716  -0.545   7.681
  167    H    CYS  25           HN       CYS  25  -6.844  -0.853   2.586
  168    HA   CYS  25           HA       CYS  25  -5.808   1.780   2.333
  169   1HB   CYS  25          HB2       CYS  25  -7.923   0.203   0.832
  170   2HB   CYS  25          HB1       CYS  25  -7.251   1.722   0.242
  171    H    LYS  26           HN       LYS  26  -9.194   0.680   2.720
  172    HA   LYS  26           HA       LYS  26 -10.528   3.139   2.787
  173   1HB   LYS  26          HB2       LYS  26 -11.690   1.031   2.867
  174   2HB   LYS  26          HB1       LYS  26 -10.876   0.573   4.363
  175   1HG   LYS  26          HG2       LYS  26 -12.004   2.415   5.551
  176   2HG   LYS  26          HG1       LYS  26 -12.814   2.887   4.056
  177   1HD   LYS  26          HD2       LYS  26 -14.086   0.881   3.984
  178   2HD   LYS  26          HD1       LYS  26 -13.066   0.099   5.193
  179   1HE   LYS  26          HE2       LYS  26 -14.380   0.894   6.855
  180   2HE   LYS  26          HE1       LYS  26 -14.146   2.556   6.278
  181   1HZ   LYS  26          HZ1       LYS  26 -16.266   0.648   5.632
  182   2HZ   LYS  26          HZ2       LYS  26 -15.728   1.658   4.375
  183   3HZ   LYS  26          HZ3       LYS  26 -16.347   2.333   5.806
  184    H    MET  27           HN       MET  27  -8.928   1.450   5.513
  185    HA   MET  27           HA       MET  27  -9.480   3.347   7.553
  186   1HB   MET  27          HB2       MET  27  -7.383   1.284   6.963
  187   2HB   MET  27          HB1       MET  27  -7.118   2.377   8.322
  188   1HG   MET  27          HG2       MET  27  -8.902   1.539   9.527
  189   2HG   MET  27          HG1       MET  27  -9.800   1.082   8.079
  190   1HE   MET  27          HE1       MET  27  -6.639   0.867   9.773
  191   2HE   MET  27          HE2       MET  27  -5.821  -0.465   8.961
  192   3HE   MET  27          HE3       MET  27  -6.636  -0.746  10.498
  193    H    LYS  28           HN       LYS  28  -7.039   3.306   4.998
  194    HA   LYS  28           HA       LYS  28  -5.674   5.700   6.062
  195   1HB   LYS  28          HB2       LYS  28  -5.338   4.126   3.486
  196   2HB   LYS  28          HB1       LYS  28  -4.193   5.295   4.144
  197   1HG   LYS  28          HG2       LYS  28  -5.055   3.012   5.879
  198   2HG   LYS  28          HG1       LYS  28  -3.879   2.703   4.601
  199   1HD   LYS  28          HD2       LYS  28  -3.242   5.140   6.054
  200   2HD   LYS  28          HD1       LYS  28  -3.333   3.751   7.138
  201   1HE   LYS  28          HE2       LYS  28  -1.127   3.539   6.431
  202   2HE   LYS  28          HE1       LYS  28  -1.927   2.609   5.148
  203   1HZ   LYS  28          HZ1       LYS  28  -0.568   4.249   4.104
  204   2HZ   LYS  28          HZ2       LYS  28  -1.194   5.486   5.086
  205   3HZ   LYS  28          HZ3       LYS  28  -2.181   4.740   3.922
  206    H    LYS  29           HN       LYS  29  -8.563   5.784   5.100
  207    HA   LYS  29           HA       LYS  29  -9.909   7.312   3.905
  208   1HB   LYS  29          HB2       LYS  29  -7.984   8.707   5.010
  209   2HB   LYS  29          HB1       LYS  29  -7.381   8.849   3.358
  210   1HG   LYS  29          HG2       LYS  29  -9.151  10.148   2.674
  211   2HG   LYS  29          HG1       LYS  29 -10.280   9.385   3.793
  212   1HD   LYS  29          HD2       LYS  29  -9.967  11.561   4.676
  213   2HD   LYS  29          HD1       LYS  29  -8.921  10.536   5.660
  214   1HE   LYS  29          HE2       LYS  29  -7.319  12.091   5.121
  215   2HE   LYS  29          HE1       LYS  29  -7.234  11.192   3.593
  216   1HZ   LYS  29          HZ1       LYS  29  -7.951  13.036   2.601
  217   2HZ   LYS  29          HZ2       LYS  29  -8.280  13.801   4.081
  218   3HZ   LYS  29          HZ3       LYS  29  -9.450  12.802   3.360
  219    H    ALA  30           HN       ALA  30  -8.976   5.076   2.417
  220    HA   ALA  30           HA       ALA  30  -8.351   6.281  -0.260
  221   1HB   ALA  30          HB1       ALA  30  -7.045   4.417  -0.652
  222   2HB   ALA  30          HB2       ALA  30  -8.106   3.358   0.277
  223   3HB   ALA  30          HB3       ALA  30  -6.963   4.412   1.109
  224    H    SER  31           HN       SER  31  -9.322   4.702  -2.064
  225    HA   SER  31           HA       SER  31 -12.115   3.961  -1.249
  226   1HB   SER  31          HB2       SER  31 -11.535   6.166  -2.612
  227   2HB   SER  31          HB1       SER  31 -11.463   5.042  -3.967
  228    HG   SER  31           HG       SER  31 -13.603   6.073  -2.769
  229    H    GLY  32           HN       GLY  32  -9.468   3.435  -3.585
  230   1HA   GLY  32          HA2       GLY  32 -10.753   0.842  -4.332
  231   2HA   GLY  32          HA1       GLY  32  -9.564   1.691  -5.321
  232    H    GLY  33           HN       GLY  33  -9.959  -0.091  -2.275
  233   1HA   GLY  33          HA2       GLY  33  -7.014  -0.416  -2.100
  234   2HA   GLY  33          HA1       GLY  33  -8.171  -0.859  -0.845
  235    H    HIS  34           HN       HIS  34  -6.170  -2.124  -3.180
  236    HA   HIS  34           HA       HIS  34  -7.528  -4.761  -2.990
  237   1HB   HIS  34          HB2       HIS  34  -7.522  -5.027  -5.407
  238   2HB   HIS  34          HB1       HIS  34  -8.344  -3.516  -5.021
  239    HD1  HIS  34           HD1      HIS  34  -7.434  -1.442  -6.104
  240    HD2  HIS  34           HD2      HIS  34  -4.688  -4.577  -6.200
  241    HE1  HIS  34           HE1      HIS  34  -5.473  -0.635  -7.488
  242    H    CYS  35           HN       CYS  35  -6.019  -6.491  -3.985
  243    HA   CYS  35           HA       CYS  35  -3.234  -5.877  -3.133
  244   1HB   CYS  35          HB2       CYS  35  -4.292  -7.784  -2.109
  245   2HB   CYS  35          HB1       CYS  35  -4.820  -8.401  -3.673
  246    H    TYR  36           HN       TYR  36  -1.513  -5.960  -4.569
  247    HA   TYR  36           HA       TYR  36  -1.831  -7.131  -7.260
  248   1HB   TYR  36          HB2       TYR  36  -2.607  -4.522  -6.816
  249   2HB   TYR  36          HB1       TYR  36  -0.937  -4.323  -7.346
  250    HD1  TYR  36           HD1      TYR  36  -0.236  -5.762  -9.445
  251    HD2  TYR  36           HD2      TYR  36  -4.284  -4.750  -8.429
  252    HE1  TYR  36           HE1      TYR  36  -0.925  -6.163 -11.793
  253    HE2  TYR  36           HE2      TYR  36  -4.974  -5.151 -10.777
  254    HH   TYR  36           HH       TYR  36  -2.895  -5.293 -13.303
  255    H    ALA  37           HN       ALA  37   0.124  -8.097  -7.666
  256    HA   ALA  37           HA       ALA  37   2.472  -8.415  -7.750
  257   1HB   ALA  37          HB1       ALA  37   3.743  -6.447  -7.869
  258   2HB   ALA  37          HB2       ALA  37   2.778  -5.637  -6.635
  259   3HB   ALA  37          HB3       ALA  37   2.129  -5.854  -8.261
  260    H    MET  38           HN       MET  38   0.900  -9.063  -5.365
  261    HA   MET  38           HA       MET  38   1.293  -9.777  -3.149
  262   1HB   MET  38          HB2       MET  38   4.157  -9.147  -3.943
  263   2HB   MET  38          HB1       MET  38   3.650 -10.212  -2.632
  264   1HG   MET  38          HG2       MET  38   2.263 -11.316  -4.675
  265   2HG   MET  38          HG1       MET  38   3.654 -10.689  -5.562
  266   1HE   MET  38          HE1       MET  38   4.519 -13.575  -6.063
  267   2HE   MET  38          HE2       MET  38   2.828 -13.323  -5.637
  268   3HE   MET  38          HE3       MET  38   3.760 -14.571  -4.813
  269    H    SER  39           HN       SER  39   1.409  -6.702  -4.110
  270    HA   SER  39           HA       SER  39   2.172  -5.667  -1.401
  271   1HB   SER  39          HB2       SER  39   2.361  -4.195  -4.041
  272   2HB   SER  39          HB1       SER  39   3.099  -3.747  -2.506
  273    HG   SER  39           HG       SER  39   4.126  -5.225  -4.425
  274    H    CYS  40           HN       CYS  40   0.677  -4.216  -0.480
  275    HA   CYS  40           HA       CYS  40  -2.030  -4.239  -1.543
  276   1HB   CYS  40          HB2       CYS  40  -1.159  -4.195   0.892
  277   2HB   CYS  40          HB1       CYS  40  -0.933  -2.464   0.643
  278    H    TYR  41           HN       TYR  41  -3.149  -2.541  -2.530
  279    HA   TYR  41           HA       TYR  41  -1.642  -0.009  -3.067
  280   1HB   TYR  41          HB2       TYR  41  -1.578  -1.794  -4.919
  281   2HB   TYR  41          HB1       TYR  41  -3.307  -1.498  -5.113
  282    HD1  TYR  41           HD1      TYR  41  -4.086   0.356  -6.358
  283    HD2  TYR  41           HD2      TYR  41   0.015   0.204  -5.090
  284    HE1  TYR  41           HE1      TYR  41  -3.587   2.360  -7.732
  285    HE2  TYR  41           HE2      TYR  41   0.514   2.207  -6.464
  286    HH   TYR  41           HH       TYR  41  -0.977   3.231  -8.828
  287    H    CYS  42           HN       CYS  42  -2.938   1.786  -2.731
  288    HA   CYS  42           HA       CYS  42  -5.890   1.306  -2.484
  289   1HB   CYS  42          HB2       CYS  42  -4.257   3.468  -1.132
  290   2HB   CYS  42          HB1       CYS  42  -5.875   2.914  -0.710
  291    H    GLU  43           HN       GLU  43  -7.264   2.795  -3.484
  292    HA   GLU  43           HA       GLU  43  -5.952   4.705  -5.381
  293   1HB   GLU  43          HB2       GLU  43  -7.442   2.707  -6.087
  294   2HB   GLU  43          HB1       GLU  43  -8.787   3.656  -5.456
  295   1HG   GLU  43          HG2       GLU  43  -7.783   5.571  -6.941
  296   2HG   GLU  43          HG1       GLU  43  -6.995   4.243  -7.795
  297    H    GLY  44           HN       GLY  44  -5.825   6.516  -3.918
  298   1HA   GLY  44          HA2       GLY  44  -7.288   8.603  -3.734
  299   2HA   GLY  44          HA1       GLY  44  -8.470   7.541  -2.968
  300    H    LEU  45           HN       LEU  45  -5.012   7.245  -2.398
  301    HA   LEU  45           HA       LEU  45  -5.333   7.354   0.466
  302   1HB   LEU  45          HB2       LEU  45  -3.017   7.441  -1.478
  303   2HB   LEU  45          HB1       LEU  45  -2.760   7.480   0.265
  304    HG   LEU  45           HG       LEU  45  -4.339   5.334  -1.178
  305   1HD1  LEU  45          HD11      LEU  45  -2.257   3.966  -0.383
  306   2HD1  LEU  45          HD12      LEU  45  -1.455   5.536  -0.342
  307   3HD1  LEU  45          HD13      LEU  45  -2.129   4.930  -1.855
  308   1HD2  LEU  45          HD21      LEU  45  -3.308   4.570   1.380
  309   2HD2  LEU  45          HD22      LEU  45  -4.995   4.727   0.890
  310   3HD2  LEU  45          HD23      LEU  45  -4.140   6.113   1.566
  311    HA   PRO  46           HA       PRO  46  -4.891  11.651   1.253
  312   1HB   PRO  46          HB2       PRO  46  -3.243  11.715   3.435
  313   2HB   PRO  46          HB1       PRO  46  -4.929  11.165   3.513
  314   1HG   PRO  46          HG2       PRO  46  -2.421   9.580   3.462
  315   2HG   PRO  46          HG1       PRO  46  -3.942   9.265   4.309
  316   1HD   PRO  46          HD2       PRO  46  -3.167   8.022   1.979
  317   2HD   PRO  46          HD1       PRO  46  -4.847   8.174   2.529
  318    H    GLU  47           HN       GLU  47  -3.641  13.279   0.382
  319    HA   GLU  47           HA       GLU  47  -1.358  12.883  -1.155
  320   1HB   GLU  47          HB2       GLU  47  -2.731  14.896  -1.177
  321   2HB   GLU  47          HB1       GLU  47  -2.240  15.286   0.472
  322   1HG   GLU  47          HG2       GLU  47  -0.173  16.035  -0.175
  323   2HG   GLU  47          HG1       GLU  47  -0.049  14.869  -1.493
  324    H    ASN  48           HN       ASN  48  -1.550  13.089   2.332
  325    HA   ASN  48           HA       ASN  48   1.426  13.325   2.507
  326   1HB   ASN  48          HB2       ASN  48   1.050  14.225   4.650
  327   2HB   ASN  48          HB1       ASN  48  -0.326  14.828   3.729
  328   1HD2  ASN  48          HD21      ASN  48   0.210  13.798   6.711
  329   2HD2  ASN  48          HD22      ASN  48  -1.180  12.871   7.012
  330    H    ALA  49           HN       ALA  49  -0.380  10.834   1.930
  331    HA   ALA  49           HA       ALA  49  -0.076   9.089   4.224
  332   1HB   ALA  49          HB1       ALA  49  -1.505   9.090   1.911
  333   2HB   ALA  49          HB2       ALA  49  -1.238   7.641   2.881
  334   3HB   ALA  49          HB3       ALA  49  -0.216   7.967   1.481
  335    H    LYS  50           HN       LYS  50   1.406   7.276   4.367
  336    HA   LYS  50           HA       LYS  50   4.081   7.878   3.221
  337   1HB   LYS  50          HB2       LYS  50   3.444   7.370   5.700
  338   2HB   LYS  50          HB1       LYS  50   3.365   5.689   5.171
  339   1HG   LYS  50          HG2       LYS  50   5.614   5.512   5.084
  340   2HG   LYS  50          HG1       LYS  50   5.768   7.031   4.199
  341   1HD   LYS  50          HD2       LYS  50   6.345   8.151   6.069
  342   2HD   LYS  50          HD1       LYS  50   4.966   7.498   6.955
  343   1HE   LYS  50          HE2       LYS  50   6.933   5.412   6.529
  344   2HE   LYS  50          HE1       LYS  50   7.675   6.809   7.333
  345   1HZ   LYS  50          HZ1       LYS  50   6.299   5.043   8.692
  346   2HZ   LYS  50          HZ2       LYS  50   4.991   5.996   8.174
  347   3HZ   LYS  50          HZ3       LYS  50   6.244   6.692   9.085
  348    H    VAL  51           HN       VAL  51   4.043   7.046   1.096
  349    HA   VAL  51           HA       VAL  51   3.526   4.100   0.877
  350    HB   VAL  51           HB       VAL  51   2.643   4.681  -1.419
  351   1HG1  VAL  51          HG11      VAL  51   1.428   5.447   1.176
  352   2HG1  VAL  51          HG12      VAL  51   0.823   4.357  -0.072
  353   3HG1  VAL  51          HG13      VAL  51   0.640   6.101  -0.259
  354   1HG2  VAL  51          HG21      VAL  51   2.099   7.029  -1.870
  355   2HG2  VAL  51          HG22      VAL  51   3.832   6.866  -1.586
  356   3HG2  VAL  51          HG23      VAL  51   2.786   7.506  -0.317
  357    H    SER  52           HN       SER  52   4.615   3.193  -1.149
  358    HA   SER  52           HA       SER  52   7.393   4.200  -1.280
  359   1HB   SER  52          HB2       SER  52   7.310   1.881  -1.032
  360   2HB   SER  52          HB1       SER  52   5.860   1.728  -2.020
  361    HG   SER  52           HG       SER  52   8.543   1.918  -2.760
  362    H    ASP  53           HN       ASP  53   8.387   4.812  -3.287
  363    HA   ASP  53           HA       ASP  53   6.445   5.681  -5.389
  364   1HB   ASP  53          HB2       ASP  53   8.195   7.303  -5.946
  365   2HB   ASP  53          HB1       ASP  53   7.887   7.351  -4.209
  366    H    SER  54           HN       SER  54   7.615   2.905  -5.113
  367    HA   SER  54           HA       SER  54   8.510   2.643  -7.916
  368   1HB   SER  54          HB2       SER  54  10.628   1.582  -7.258
  369   2HB   SER  54          HB1       SER  54  10.535   3.205  -6.581
  370    HG   SER  54           HG       SER  54  10.905   2.185  -4.774
  371    H    ALA  55           HN       ALA  55   8.648   0.302  -8.530
  372    HA   ALA  55           HA       ALA  55   6.596  -1.269  -7.090
  373   1HB   ALA  55          HB1       ALA  55   7.425  -2.766  -9.221
  374   2HB   ALA  55          HB2       ALA  55   7.873  -1.147  -9.758
  375   3HB   ALA  55          HB3       ALA  55   6.200  -1.501  -9.329
  376    H    THR  56           HN       THR  56   9.948  -0.941  -6.943
  377    HA   THR  56           HA       THR  56  10.642  -3.759  -6.550
  378    HB   THR  56           HB       THR  56  12.438  -1.708  -5.461
  379    HG1  THR  56           HG1      THR  56  11.883  -0.290  -6.920
  380   1HG2  THR  56          HG21      THR  56  12.518  -4.164  -6.940
  381   2HG2  THR  56          HG22      THR  56  13.849  -3.309  -6.160
  382   3HG2  THR  56          HG23      THR  56  13.418  -2.936  -7.829
  383    H    ASN  57           HN       ASN  57  12.086  -3.938  -4.293
  384    HA   ASN  57           HA       ASN  57  10.066  -3.470  -2.144
  385   1HB   ASN  57          HB2       ASN  57  11.178  -5.329  -1.050
  386   2HB   ASN  57          HB1       ASN  57  10.918  -5.772  -2.738
  387   1HD2  ASN  57          HD21      ASN  57  13.393  -4.831  -0.378
  388   2HD2  ASN  57          HD22      ASN  57  14.723  -5.245  -1.348
  389    H    ILE  58           HN       ILE  58  10.487  -1.865  -0.694
  390    HA   ILE  58           HA       ILE  58  13.347  -1.120  -0.176
  391    HB   ILE  58           HB       ILE  58  12.411   0.574  -1.589
  392   1HG1  ILE  58          HG12      ILE  58  11.920   1.612   1.213
  393   2HG1  ILE  58          HG11      ILE  58  13.540   1.321   0.582
  394   1HG2  ILE  58          HG21      ILE  58  10.215   1.601  -1.134
  395   2HG2  ILE  58          HG22      ILE  58  10.005   0.541   0.259
  396   3HG2  ILE  58          HG23      ILE  58  10.055  -0.140  -1.366
  397   1HD1  ILE  58          HD11      ILE  58  11.935   3.622   0.200
  398   2HD1  ILE  58          HD12      ILE  58  12.009   2.800  -1.359
  399   3HD1  ILE  58          HD13      ILE  58  13.498   3.270  -0.539
  400    H    CYS  59           HN       CYS  59  13.128  -2.528   1.749
  401    HA   CYS  59           HA       CYS  59  11.145  -1.745   3.795
  402   1HB   CYS  59          HB2       CYS  59  12.772  -4.019   3.070
  403   2HB   CYS  59          HB1       CYS  59  13.030  -3.623   4.770
  404    H    GLY  60           HN       GLY  60  12.539  -2.049   6.136
  405   1HA   GLY  60          HA2       GLY  60  14.132   0.425   6.213
  406   2HA   GLY  60          HA1       GLY  60  13.616  -0.519   7.611
  Start of MODEL    7
    1   1H    LYS   1          HT1       LYS   1  -4.502  11.490  -3.240
    2   2H    LYS   1          HT2       LYS   1  -3.253  12.244  -2.370
    3   3H    LYS   1          HT3       LYS   1  -3.826  10.719  -1.890
    4    HA   LYS   1           HA       LYS   1  -2.751  10.984  -4.609
    5   1HB   LYS   1          HB2       LYS   1  -0.484  10.862  -3.752
    6   2HB   LYS   1          HB1       LYS   1  -1.274  12.244  -2.991
    7   1HG   LYS   1          HG2       LYS   1  -1.690  10.982  -0.973
    8   2HG   LYS   1          HG1       LYS   1  -1.130   9.493  -1.734
    9   1HD   LYS   1          HD2       LYS   1   1.101  10.768  -2.101
   10   2HD   LYS   1          HD1       LYS   1   0.488  11.890  -0.886
   11   1HE   LYS   1          HE2       LYS   1   0.068   9.813   0.585
   12   2HE   LYS   1          HE1       LYS   1   1.110   8.946  -0.561
   13   1HZ   LYS   1          HZ1       LYS   1   2.736  10.799  -0.277
   14   2HZ   LYS   1          HZ2       LYS   1   2.515   9.848   1.113
   15   3HZ   LYS   1          HZ3       LYS   1   1.785  11.379   1.002
   16    H    ASP   2           HN       ASP   2  -1.521   8.883  -5.028
   17    HA   ASP   2           HA       ASP   2  -2.844   6.623  -3.563
   18   1HB   ASP   2          HB2       ASP   2  -1.617   6.586  -6.329
   19   2HB   ASP   2          HB1       ASP   2  -2.807   5.473  -5.656
   20    H    GLY   3           HN       GLY   3  -1.462   4.622  -3.401
   21   1HA   GLY   3          HA2       GLY   3   1.245   4.397  -3.994
   22   2HA   GLY   3          HA1       GLY   3   1.212   5.304  -2.483
   23    H    TYR   4           HN       TYR   4   2.449   2.981  -2.246
   24    HA   TYR   4           HA       TYR   4   0.486   0.933  -1.304
   25   1HB   TYR   4          HB2       TYR   4   3.498   0.831  -1.694
   26   2HB   TYR   4          HB1       TYR   4   2.449  -0.547  -1.370
   27    HD1  TYR   4           HD1      TYR   4   1.298  -1.651  -3.126
   28    HD2  TYR   4           HD2      TYR   4   3.150   2.159  -3.834
   29    HE1  TYR   4           HE1      TYR   4   0.882  -1.900  -5.558
   30    HE2  TYR   4           HE2      TYR   4   2.734   1.910  -6.266
   31    HH   TYR   4           HH       TYR   4   0.729   0.300  -7.631
   32    HA   PRO   5           HA       PRO   5   1.390   2.363   2.804
   33   1HB   PRO   5          HB2       PRO   5   0.218   0.300   4.157
   34   2HB   PRO   5          HB1       PRO   5  -0.712   1.612   3.403
   35   1HG   PRO   5          HG2       PRO   5  -0.183  -1.146   2.399
   36   2HG   PRO   5          HG1       PRO   5  -1.670  -0.187   2.327
   37   1HD   PRO   5          HD2       PRO   5  -0.006  -0.479   0.205
   38   2HD   PRO   5          HD1       PRO   5  -0.983   0.984   0.469
   39    H    VAL   6           HN       VAL   6   3.139   1.999   4.129
   40    HA   VAL   6           HA       VAL   6   4.677  -0.537   3.695
   41    HB   VAL   6           HB       VAL   6   6.554   0.921   4.619
   42   1HG1  VAL   6          HG11      VAL   6   5.042   1.493   2.085
   43   2HG1  VAL   6          HG12      VAL   6   6.601   0.696   2.292
   44   3HG1  VAL   6          HG13      VAL   6   6.472   2.445   2.484
   45   1HG2  VAL   6          HG21      VAL   6   4.517   2.531   5.465
   46   2HG2  VAL   6          HG22      VAL   6   4.977   3.340   3.968
   47   3HG2  VAL   6          HG23      VAL   6   6.175   3.086   5.236
   48    H    ASP   7           HN       ASP   7   5.979  -1.197   5.722
   49    HA   ASP   7           HA       ASP   7   4.146  -1.096   8.079
   50   1HB   ASP   7          HB2       ASP   7   5.436  -3.148   8.719
   51   2HB   ASP   7          HB1       ASP   7   4.665  -3.293   7.139
   52    H    SER   8           HN       SER   8   5.853  -1.715  10.116
   53    HA   SER   8           HA       SER   8   7.057   0.760  10.828
   54   1HB   SER   8          HB2       SER   8   7.842  -0.492  12.737
   55   2HB   SER   8          HB1       SER   8   6.277  -1.163  12.286
   56    HG   SER   8           HG       SER   8   8.866  -2.202  11.911
   57    H    LYS   9           HN       LYS   9   8.261  -1.790   8.812
   58    HA   LYS   9           HA       LYS   9  11.095  -1.044   9.230
   59   1HB   LYS   9          HB2       LYS   9  10.133  -3.396   8.889
   60   2HB   LYS   9          HB1       LYS   9   9.902  -2.943   7.199
   61   1HG   LYS   9          HG2       LYS   9  12.261  -2.551   6.903
   62   2HG   LYS   9          HG1       LYS   9  12.560  -2.722   8.633
   63   1HD   LYS   9          HD2       LYS   9  13.198  -4.797   7.571
   64   2HD   LYS   9          HD1       LYS   9  11.704  -5.089   8.463
   65   1HE   LYS   9          HE2       LYS   9  11.203  -4.157   5.728
   66   2HE   LYS   9          HE1       LYS   9  12.094  -5.691   5.783
   67   1HZ   LYS   9          HZ1       LYS   9   9.586  -5.050   7.246
   68   2HZ   LYS   9          HZ2       LYS   9  10.479  -6.482   7.443
   69   3HZ   LYS   9          HZ3       LYS   9   9.744  -6.134   5.951
   70    H    GLY  10           HN       GLY  10   8.503  -0.513   6.905
   71   1HA   GLY  10          HA2       GLY  10   8.638   1.532   5.513
   72   2HA   GLY  10          HA1       GLY  10  10.372   1.239   5.362
   73    H    CYS  11           HN       CYS  11   8.713  -1.679   5.210
   74    HA   CYS  11           HA       CYS  11   9.086  -1.773   2.257
   75   1HB   CYS  11          HB2       CYS  11   9.004  -3.681   4.555
   76   2HB   CYS  11          HB1       CYS  11   8.532  -4.297   2.972
   77    H    LYS  12           HN       LYS  12   7.348  -2.175   0.865
   78    HA   LYS  12           HA       LYS  12   4.747  -1.355   1.435
   79   1HB   LYS  12          HB2       LYS  12   5.835  -3.438  -0.477
   80   2HB   LYS  12          HB1       LYS  12   4.178  -2.841  -0.555
   81   1HG   LYS  12          HG2       LYS  12   4.910  -1.094  -1.768
   82   2HG   LYS  12          HG1       LYS  12   5.833  -0.553  -0.365
   83   1HD   LYS  12          HD2       LYS  12   7.645  -0.866  -1.701
   84   2HD   LYS  12          HD1       LYS  12   7.422  -2.575  -1.319
   85   1HE   LYS  12          HE2       LYS  12   6.838  -3.046  -3.459
   86   2HE   LYS  12          HE1       LYS  12   5.653  -1.725  -3.483
   87   1HZ   LYS  12          HZ1       LYS  12   8.493  -1.021  -3.460
   88   2HZ   LYS  12          HZ2       LYS  12   7.185  -0.220  -4.191
   89   3HZ   LYS  12          HZ3       LYS  12   7.846  -1.608  -4.915
   90    H    LEU  13           HN       LEU  13   2.755  -2.618   1.772
   91    HA   LEU  13           HA       LEU  13   3.169  -4.836   3.695
   92   1HB   LEU  13          HB2       LEU  13   1.658  -2.809   4.027
   93   2HB   LEU  13          HB1       LEU  13   0.611  -3.491   2.783
   94    HG   LEU  13           HG       LEU  13   0.774  -5.667   4.267
   95   1HD1  LEU  13          HD11      LEU  13   2.280  -3.861   5.800
   96   2HD1  LEU  13          HD12      LEU  13   1.681  -5.436   6.319
   97   3HD1  LEU  13          HD13      LEU  13   0.731  -3.984   6.634
   98   1HD2  LEU  13          HD21      LEU  13  -1.158  -4.649   5.689
   99   2HD2  LEU  13          HD22      LEU  13  -1.358  -4.713   3.937
  100   3HD2  LEU  13          HD23      LEU  13  -0.900  -3.199   4.719
  101    H    SER  14           HN       SER  14   2.426  -6.949   3.309
  102    HA   SER  14           HA       SER  14   1.967  -7.684   0.495
  103   1HB   SER  14          HB2       SER  14   2.435  -9.063   3.124
  104   2HB   SER  14          HB1       SER  14   1.841  -9.997   1.754
  105    HG   SER  14           HG       SER  14   4.285  -8.695   2.136
  106    H    CYS  15           HN       CYS  15   0.053  -8.894  -0.183
  107    HA   CYS  15           HA       CYS  15  -2.279  -8.857   1.664
  108   1HB   CYS  15          HB2       CYS  15  -3.593  -7.647  -0.094
  109   2HB   CYS  15          HB1       CYS  15  -2.273  -6.677   0.559
  110    H    VAL  16           HN       VAL  16  -3.921 -10.344   1.023
  111    HA   VAL  16           HA       VAL  16  -3.157 -12.167  -1.236
  112    HB   VAL  16           HB       VAL  16  -2.905 -12.950   1.188
  113   1HG1  VAL  16          HG11      VAL  16  -5.928 -12.799   1.001
  114   2HG1  VAL  16          HG12      VAL  16  -4.897 -11.910   2.123
  115   3HG1  VAL  16          HG13      VAL  16  -5.050 -13.661   2.265
  116   1HG2  VAL  16          HG21      VAL  16  -3.240 -15.071   0.437
  117   2HG2  VAL  16          HG22      VAL  16  -3.645 -14.291  -1.091
  118   3HG2  VAL  16          HG23      VAL  16  -4.926 -14.759   0.028
  119    H    ALA  17           HN       ALA  17  -5.429  -9.949  -0.142
  120    HA   ALA  17           HA       ALA  17  -7.426 -10.920  -2.119
  121   1HB   ALA  17          HB1       ALA  17  -7.788 -11.763   0.324
  122   2HB   ALA  17          HB2       ALA  17  -9.162 -11.051  -0.521
  123   3HB   ALA  17          HB3       ALA  17  -8.265 -10.099   0.661
  124    H    ASN  18           HN       ASN  18  -8.843  -9.187  -2.827
  125    HA   ASN  18           HA       ASN  18  -7.620  -6.553  -2.766
  126   1HB   ASN  18          HB2       ASN  18 -10.272  -7.622  -3.786
  127   2HB   ASN  18          HB1       ASN  18  -9.645  -6.012  -4.147
  128   1HD2  ASN  18          HD21      ASN  18  -9.975  -8.830  -5.673
  129   2HD2  ASN  18          HD22      ASN  18  -8.530  -8.903  -6.560
  130    H    ASN  19           HN       ASN  19 -10.560  -7.975  -1.315
  131    HA   ASN  19           HA       ASN  19 -11.735  -5.689  -0.184
  132   1HB   ASN  19          HB2       ASN  19 -12.439  -7.413   1.609
  133   2HB   ASN  19          HB1       ASN  19 -12.840  -7.796  -0.063
  134   1HD2  ASN  19          HD21      ASN  19 -11.439  -9.090   2.697
  135   2HD2  ASN  19          HD22      ASN  19 -10.521 -10.325   1.978
  136    H    TYR  20           HN       TYR  20  -9.154  -7.740   1.210
  137    HA   TYR  20           HA       TYR  20  -8.797  -6.629   3.720
  138   1HB   TYR  20          HB2       TYR  20  -7.456  -8.454   2.901
  139   2HB   TYR  20          HB1       TYR  20  -6.800  -7.462   1.599
  140    HD1  TYR  20           HD1      TYR  20  -7.280  -6.781   5.256
  141    HD2  TYR  20           HD2      TYR  20  -4.519  -7.154   1.987
  142    HE1  TYR  20           HE1      TYR  20  -5.428  -6.058   6.738
  143    HE2  TYR  20           HE2      TYR  20  -2.668  -6.431   3.468
  144    HH   TYR  20           HH       TYR  20  -3.281  -5.445   6.830
  145    H    CYS  21           HN       CYS  21  -7.552  -5.305   0.642
  146    HA   CYS  21           HA       CYS  21  -6.336  -2.976   1.901
  147   1HB   CYS  21          HB2       CYS  21  -6.998  -3.870  -0.911
  148   2HB   CYS  21          HB1       CYS  21  -6.260  -2.300  -0.593
  149    H    ASP  22           HN       ASP  22  -9.352  -3.603   0.098
  150    HA   ASP  22           HA       ASP  22 -10.402  -1.052  -0.223
  151   1HB   ASP  22          HB2       ASP  22 -11.506  -3.102  -0.948
  152   2HB   ASP  22          HB1       ASP  22 -11.737  -3.607   0.727
  153    H    ASN  23           HN       ASN  23 -10.782  -3.079   2.712
  154    HA   ASN  23           HA       ASN  23 -11.965  -0.925   4.266
  155   1HB   ASN  23          HB2       ASN  23 -12.107  -3.536   4.449
  156   2HB   ASN  23          HB1       ASN  23 -10.617  -3.380   5.381
  157   1HD2  ASN  23          HD21      ASN  23 -12.069  -4.209   7.213
  158   2HD2  ASN  23          HD22      ASN  23 -12.992  -3.070   8.068
  159    H    GLN  24           HN       GLN  24  -8.702  -2.333   3.983
  160    HA   GLN  24           HA       GLN  24  -7.484  -0.888   6.137
  161   1HB   GLN  24          HB2       GLN  24  -6.592  -2.878   4.878
  162   2HB   GLN  24          HB1       GLN  24  -6.273  -1.809   3.511
  163   1HG   GLN  24          HG2       GLN  24  -4.211  -1.848   4.650
  164   2HG   GLN  24          HG1       GLN  24  -4.967  -0.363   5.231
  165   1HE2  GLN  24          HE21      GLN  24  -5.354  -0.195   7.471
  166   2HE2  GLN  24          HE22      GLN  24  -5.125  -1.465   8.573
  167    H    CYS  25           HN       CYS  25  -7.450  -0.210   2.615
  168    HA   CYS  25           HA       CYS  25  -6.125   2.282   2.701
  169   1HB   CYS  25          HB2       CYS  25  -8.315   1.193   0.904
  170   2HB   CYS  25          HB1       CYS  25  -7.365   2.629   0.527
  171    H    LYS  26           HN       LYS  26  -9.668   1.688   2.680
  172    HA   LYS  26           HA       LYS  26 -10.620   4.295   2.933
  173   1HB   LYS  26          HB2       LYS  26 -11.827   2.025   2.815
  174   2HB   LYS  26          HB1       LYS  26 -11.630   1.955   4.567
  175   1HG   LYS  26          HG2       LYS  26 -13.736   2.958   4.343
  176   2HG   LYS  26          HG1       LYS  26 -12.672   4.353   4.524
  177   1HD   LYS  26          HD2       LYS  26 -12.871   3.487   1.745
  178   2HD   LYS  26          HD1       LYS  26 -14.443   3.917   2.420
  179   1HE   LYS  26          HE2       LYS  26 -13.567   6.098   3.145
  180   2HE   LYS  26          HE1       LYS  26 -11.961   5.671   2.522
  181   1HZ   LYS  26          HZ1       LYS  26 -13.614   6.935   0.994
  182   2HZ   LYS  26          HZ2       LYS  26 -14.322   5.404   0.784
  183   3HZ   LYS  26          HZ3       LYS  26 -12.698   5.658   0.356
  184    H    MET  27           HN       MET  27  -9.605   2.135   5.598
  185    HA   MET  27           HA       MET  27 -10.027   3.869   7.777
  186   1HB   MET  27          HB2       MET  27  -8.027   1.700   7.131
  187   2HB   MET  27          HB1       MET  27  -8.013   2.506   8.700
  188   1HG   MET  27          HG2       MET  27 -10.713   1.867   8.197
  189   2HG   MET  27          HG1       MET  27  -9.788   0.436   7.740
  190   1HE   MET  27          HE1       MET  27  -7.596  -0.384  10.527
  191   2HE   MET  27          HE2       MET  27  -7.207   1.331  10.421
  192   3HE   MET  27          HE3       MET  27  -7.495   0.408   8.948
  193    H    LYS  28           HN       LYS  28  -7.313   3.720   5.491
  194    HA   LYS  28           HA       LYS  28  -5.825   5.827   6.929
  195   1HB   LYS  28          HB2       LYS  28  -5.306   4.499   4.252
  196   2HB   LYS  28          HB1       LYS  28  -4.131   5.337   5.266
  197   1HG   LYS  28          HG2       LYS  28  -4.755   3.611   7.085
  198   2HG   LYS  28          HG1       LYS  28  -5.484   2.689   5.770
  199   1HD   LYS  28          HD2       LYS  28  -3.437   2.325   4.709
  200   2HD   LYS  28          HD1       LYS  28  -2.681   3.725   5.471
  201   1HE   LYS  28          HE2       LYS  28  -3.622   1.483   7.234
  202   2HE   LYS  28          HE1       LYS  28  -2.100   1.291   6.342
  203   1HZ   LYS  28          HZ1       LYS  28  -2.115   2.511   8.633
  204   2HZ   LYS  28          HZ2       LYS  28  -2.649   3.833   7.710
  205   3HZ   LYS  28          HZ3       LYS  28  -1.157   3.098   7.363
  206    H    LYS  29           HN       LYS  29  -8.538   6.233   5.460
  207    HA   LYS  29           HA       LYS  29  -9.511   8.096   4.382
  208   1HB   LYS  29          HB2       LYS  29  -7.423   9.091   5.686
  209   2HB   LYS  29          HB1       LYS  29  -6.791   9.308   4.052
  210   1HG   LYS  29          HG2       LYS  29  -8.411  10.849   3.478
  211   2HG   LYS  29          HG1       LYS  29  -9.604  10.163   4.581
  212   1HD   LYS  29          HD2       LYS  29  -7.278  11.202   6.004
  213   2HD   LYS  29          HD1       LYS  29  -8.075  12.447   5.043
  214   1HE   LYS  29          HE2       LYS  29 -10.063  10.814   6.379
  215   2HE   LYS  29          HE1       LYS  29  -8.917  11.485   7.555
  216   1HZ   LYS  29          HZ1       LYS  29 -10.631  13.104   7.099
  217   2HZ   LYS  29          HZ2       LYS  29 -10.341  12.997   5.427
  218   3HZ   LYS  29          HZ3       LYS  29  -9.159  13.651   6.457
  219    H    ALA  30           HN       ALA  30  -8.775   5.811   2.826
  220    HA   ALA  30           HA       ALA  30  -7.921   7.117   0.260
  221   1HB   ALA  30          HB1       ALA  30  -7.476   4.347   1.400
  222   2HB   ALA  30          HB2       ALA  30  -6.255   5.536   0.948
  223   3HB   ALA  30          HB3       ALA  30  -7.198   4.720  -0.300
  224    H    SER  31           HN       SER  31  -8.830   5.681  -1.665
  225    HA   SER  31           HA       SER  31 -11.655   4.901  -1.016
  226   1HB   SER  31          HB2       SER  31 -11.640   5.889  -3.615
  227   2HB   SER  31          HB1       SER  31 -12.172   6.772  -2.188
  228    HG   SER  31           HG       SER  31 -10.584   7.967  -3.208
  229    H    GLY  32           HN       GLY  32  -8.918   4.519  -3.274
  230   1HA   GLY  32          HA2       GLY  32 -10.198   2.045  -4.331
  231   2HA   GLY  32          HA1       GLY  32  -8.847   2.893  -5.085
  232    H    GLY  33           HN       GLY  33  -9.748   0.744  -2.436
  233   1HA   GLY  33          HA2       GLY  33  -6.848   0.216  -1.959
  234   2HA   GLY  33          HA1       GLY  33  -8.128  -0.124  -0.796
  235    H    HIS  34           HN       HIS  34  -6.065  -1.628  -2.840
  236    HA   HIS  34           HA       HIS  34  -7.723  -4.077  -2.903
  237   1HB   HIS  34          HB2       HIS  34  -7.292  -4.253  -5.390
  238   2HB   HIS  34          HB1       HIS  34  -8.354  -2.919  -4.936
  239    HD1  HIS  34           HD1      HIS  34  -7.730  -0.746  -5.968
  240    HD2  HIS  34           HD2      HIS  34  -4.406  -3.217  -5.489
  241    HE1  HIS  34           HE1      HIS  34  -5.751   0.521  -6.914
  242    H    CYS  35           HN       CYS  35  -6.311  -5.904  -3.940
  243    HA   CYS  35           HA       CYS  35  -3.543  -5.633  -2.858
  244   1HB   CYS  35          HB2       CYS  35  -5.020  -7.444  -2.045
  245   2HB   CYS  35          HB1       CYS  35  -5.220  -8.023  -3.699
  246    H    TYR  36           HN       TYR  36  -1.983  -5.178  -4.378
  247    HA   TYR  36           HA       TYR  36  -2.266  -6.423  -7.089
  248   1HB   TYR  36          HB2       TYR  36  -2.585  -3.718  -6.388
  249   2HB   TYR  36          HB1       TYR  36  -0.986  -3.818  -7.124
  250    HD1  TYR  36           HD1      TYR  36  -3.920  -2.740  -8.087
  251    HD2  TYR  36           HD2      TYR  36  -1.379  -6.076  -9.014
  252    HE1  TYR  36           HE1      TYR  36  -4.957  -2.904 -10.333
  253    HE2  TYR  36           HE2      TYR  36  -2.415  -6.241 -11.262
  254    HH   TYR  36           HH       TYR  36  -4.215  -3.829 -12.634
  255    H    ALA  37           HN       ALA  37  -0.396  -7.379  -7.793
  256    HA   ALA  37           HA       ALA  37   1.861  -8.061  -7.839
  257   1HB   ALA  37          HB1       ALA  37   1.893  -5.491  -8.169
  258   2HB   ALA  37          HB2       ALA  37   3.403  -6.271  -7.694
  259   3HB   ALA  37          HB3       ALA  37   2.432  -5.422  -6.491
  260    H    MET  38           HN       MET  38   0.266  -8.787  -5.502
  261    HA   MET  38           HA       MET  38   0.693  -9.887  -3.448
  262   1HB   MET  38          HB2       MET  38   2.861 -10.304  -4.844
  263   2HB   MET  38          HB1       MET  38   3.579  -9.087  -3.788
  264   1HG   MET  38          HG2       MET  38   3.978 -11.281  -2.823
  265   2HG   MET  38          HG1       MET  38   2.814 -10.424  -1.812
  266   1HE   MET  38          HE1       MET  38  -0.296 -12.211  -1.829
  267   2HE   MET  38          HE2       MET  38   0.602 -10.716  -1.575
  268   3HE   MET  38          HE3       MET  38   1.089 -12.184  -0.730
  269    H    SER  39           HN       SER  39   0.948  -6.645  -3.978
  270    HA   SER  39           HA       SER  39   1.484  -6.097  -1.076
  271   1HB   SER  39          HB2       SER  39   2.021  -4.166  -3.328
  272   2HB   SER  39          HB1       SER  39   2.728  -4.195  -1.715
  273    HG   SER  39           HG       SER  39   4.273  -5.240  -2.696
  274    H    CYS  40           HN       CYS  40   0.276  -4.231  -0.228
  275    HA   CYS  40           HA       CYS  40  -2.430  -4.051  -1.373
  276   1HB   CYS  40          HB2       CYS  40  -1.810  -4.275   1.084
  277   2HB   CYS  40          HB1       CYS  40  -1.215  -2.616   1.006
  278    H    TYR  41           HN       TYR  41  -3.408  -1.989  -1.954
  279    HA   TYR  41           HA       TYR  41  -1.578   0.319  -2.342
  280   1HB   TYR  41          HB2       TYR  41  -1.503  -1.323  -4.305
  281   2HB   TYR  41          HB1       TYR  41  -3.182  -0.877  -4.614
  282    HD1  TYR  41           HD1      TYR  41  -3.521   0.793  -6.191
  283    HD2  TYR  41           HD2      TYR  41   0.053   0.861  -3.815
  284    HE1  TYR  41           HE1      TYR  41  -2.761   2.828  -7.390
  285    HE2  TYR  41           HE2      TYR  41   0.816   2.892  -5.014
  286    HH   TYR  41           HH       TYR  41   0.389   4.326  -6.653
  287    H    CYS  42           HN       CYS  42  -2.704   2.248  -2.143
  288    HA   CYS  42           HA       CYS  42  -5.700   2.078  -2.101
  289   1HB   CYS  42          HB2       CYS  42  -3.888   3.885  -0.475
  290   2HB   CYS  42          HB1       CYS  42  -5.622   3.656  -0.264
  291    H    GLU  43           HN       GLU  43  -6.814   3.812  -3.090
  292    HA   GLU  43           HA       GLU  43  -5.106   5.712  -4.663
  293   1HB   GLU  43          HB2       GLU  43  -6.281   4.067  -6.030
  294   2HB   GLU  43          HB1       GLU  43  -7.804   4.439  -5.222
  295   1HG   GLU  43          HG2       GLU  43  -7.458   6.852  -6.030
  296   2HG   GLU  43          HG1       GLU  43  -6.208   6.198  -7.089
  297    H    GLY  44           HN       GLY  44  -5.177   7.571  -3.392
  298   1HA   GLY  44          HA2       GLY  44  -6.726   9.608  -3.295
  299   2HA   GLY  44          HA1       GLY  44  -7.877   8.518  -2.521
  300    H    LEU  45           HN       LEU  45  -4.936   7.489  -1.498
  301    HA   LEU  45           HA       LEU  45  -5.142   8.031   1.195
  302   1HB   LEU  45          HB2       LEU  45  -2.879   7.698  -0.742
  303   2HB   LEU  45          HB1       LEU  45  -2.496   8.088   0.935
  304    HG   LEU  45           HG       LEU  45  -4.315   5.805   0.124
  305   1HD1  LEU  45          HD11      LEU  45  -2.306   4.989  -0.669
  306   2HD1  LEU  45          HD12      LEU  45  -2.133   4.554   1.032
  307   3HD1  LEU  45          HD13      LEU  45  -1.350   6.006   0.408
  308   1HD2  LEU  45          HD21      LEU  45  -3.812   5.071   2.468
  309   2HD2  LEU  45          HD22      LEU  45  -4.673   6.608   2.401
  310   3HD2  LEU  45          HD23      LEU  45  -2.938   6.582   2.717
  311    HA   PRO  46           HA       PRO  46  -4.378  12.283   1.930
  312   1HB   PRO  46          HB2       PRO  46  -2.599  12.264   4.014
  313   2HB   PRO  46          HB1       PRO  46  -4.309  11.828   4.195
  314   1HG   PRO  46          HG2       PRO  46  -1.925  10.063   3.952
  315   2HG   PRO  46          HG1       PRO  46  -3.358   9.888   4.978
  316   1HD   PRO  46          HD2       PRO  46  -3.004   8.498   2.668
  317   2HD   PRO  46          HD1       PRO  46  -4.604   8.937   3.302
  318    H    GLU  47           HN       GLU  47  -2.880  13.984   1.480
  319    HA   GLU  47           HA       GLU  47  -0.885  13.534  -0.456
  320   1HB   GLU  47          HB2       GLU  47  -2.076  15.667   0.159
  321   2HB   GLU  47          HB1       GLU  47  -1.034  15.779   1.578
  322   1HG   GLU  47          HG2       GLU  47   0.732  15.310  -0.536
  323   2HG   GLU  47          HG1       GLU  47  -0.444  16.449  -1.193
  324    H    ASN  48           HN       ASN  48  -0.706  13.111   2.985
  325    HA   ASN  48           HA       ASN  48   2.272  12.818   2.768
  326   1HB   ASN  48          HB2       ASN  48   2.372  13.626   5.045
  327   2HB   ASN  48          HB1       ASN  48   1.347  14.734   4.132
  328   1HD2  ASN  48          HD21      ASN  48   1.435  12.616   6.857
  329   2HD2  ASN  48          HD22      ASN  48  -0.214  12.701   7.252
  330    H    ALA  49           HN       ALA  49   0.202  10.714   2.301
  331    HA   ALA  49           HA       ALA  49  -0.085   9.020   4.595
  332   1HB   ALA  49          HB1       ALA  49   0.198   7.926   1.820
  333   2HB   ALA  49          HB2       ALA  49  -1.106   9.073   2.130
  334   3HB   ALA  49          HB3       ALA  49  -1.021   7.566   3.042
  335    H    LYS  50           HN       LYS  50   1.119   7.036   5.050
  336    HA   LYS  50           HA       LYS  50   4.019   7.324   4.460
  337   1HB   LYS  50          HB2       LYS  50   3.026   7.027   6.780
  338   2HB   LYS  50          HB1       LYS  50   2.566   5.394   6.296
  339   1HG   LYS  50          HG2       LYS  50   4.626   4.741   6.945
  340   2HG   LYS  50          HG1       LYS  50   5.245   5.602   5.536
  341   1HD   LYS  50          HD2       LYS  50   5.857   7.470   6.772
  342   2HD   LYS  50          HD1       LYS  50   4.659   7.158   8.028
  343   1HE   LYS  50          HE2       LYS  50   5.969   5.352   8.948
  344   2HE   LYS  50          HE1       LYS  50   7.087   5.393   7.570
  345   1HZ   LYS  50          HZ1       LYS  50   7.683   6.694   9.717
  346   2HZ   LYS  50          HZ2       LYS  50   6.585   7.845   9.120
  347   3HZ   LYS  50          HZ3       LYS  50   7.951   7.414   8.205
  348    H    VAL  51           HN       VAL  51   3.572   6.602   2.151
  349    HA   VAL  51           HA       VAL  51   3.342   3.614   2.005
  350    HB   VAL  51           HB       VAL  51   2.345   4.099  -0.264
  351   1HG1  VAL  51          HG11      VAL  51   1.043   5.268   2.206
  352   2HG1  VAL  51          HG12      VAL  51   0.848   3.636   1.565
  353   3HG1  VAL  51          HG13      VAL  51   0.192   5.013   0.683
  354   1HG2  VAL  51          HG21      VAL  51   1.695   6.865   0.447
  355   2HG2  VAL  51          HG22      VAL  51   2.264   6.205  -1.086
  356   3HG2  VAL  51          HG23      VAL  51   3.421   6.619   0.179
  357    H    SER  52           HN       SER  52   4.348   2.817  -0.148
  358    HA   SER  52           HA       SER  52   7.125   3.706  -0.264
  359   1HB   SER  52          HB2       SER  52   6.362   1.348  -0.457
  360   2HB   SER  52          HB1       SER  52   5.513   1.754  -1.945
  361    HG   SER  52           HG       SER  52   8.222   1.430  -1.445
  362    H    ASP  53           HN       ASP  53   8.132   4.748  -2.055
  363    HA   ASP  53           HA       ASP  53   6.238   6.099  -3.948
  364   1HB   ASP  53          HB2       ASP  53   8.016   7.837  -4.017
  365   2HB   ASP  53          HB1       ASP  53   7.462   7.543  -2.368
  366    H    SER  54           HN       SER  54   7.961   3.431  -4.032
  367    HA   SER  54           HA       SER  54   9.093   3.970  -6.757
  368   1HB   SER  54          HB2       SER  54  10.706   2.052  -5.936
  369   2HB   SER  54          HB1       SER  54  10.977   3.706  -5.400
  370    HG   SER  54           HG       SER  54  10.849   2.804  -3.494
  371    H    ALA  55           HN       ALA  55   7.744   2.890  -8.157
  372    HA   ALA  55           HA       ALA  55   6.341   0.435  -7.291
  373   1HB   ALA  55          HB1       ALA  55   5.959   2.600  -9.122
  374   2HB   ALA  55          HB2       ALA  55   4.824   1.313  -8.713
  375   3HB   ALA  55          HB3       ALA  55   5.956   1.100 -10.049
  376    H    THR  56           HN       THR  56   9.385   0.732  -7.992
  377    HA   THR  56           HA       THR  56   9.513  -1.811  -9.522
  378    HB   THR  56           HB       THR  56  11.133  -0.747 -11.106
  379    HG1  THR  56           HG1      THR  56  11.868   0.993 -10.042
  380   1HG2  THR  56          HG21      THR  56   9.474   0.332 -12.457
  381   2HG2  THR  56          HG22      THR  56   8.515   0.765 -11.042
  382   3HG2  THR  56          HG23      THR  56   8.635  -0.921 -11.543
  383    H    ASN  57           HN       ASN  57  10.100  -1.716  -6.888
  384    HA   ASN  57           HA       ASN  57  13.004  -2.196  -6.832
  385   1HB   ASN  57          HB2       ASN  57  13.441  -0.478  -5.163
  386   2HB   ASN  57          HB1       ASN  57  12.648   0.283  -6.544
  387   1HD2  ASN  57          HD21      ASN  57  12.624   0.698  -3.390
  388   2HD2  ASN  57          HD22      ASN  57  10.972   0.924  -3.072
  389    H    ILE  58           HN       ILE  58  13.333  -3.905  -5.453
  390    HA   ILE  58           HA       ILE  58  11.132  -4.633  -3.575
  391    HB   ILE  58           HB       ILE  58  12.131  -6.144  -5.423
  392   1HG1  ILE  58          HG12      ILE  58  12.338  -8.065  -3.538
  393   2HG1  ILE  58          HG11      ILE  58  11.581  -6.797  -2.573
  394   1HG2  ILE  58          HG21      ILE  58  14.283  -6.585  -3.347
  395   2HG2  ILE  58          HG22      ILE  58  14.513  -5.515  -4.730
  396   3HG2  ILE  58          HG23      ILE  58  14.205  -7.233  -4.985
  397   1HD1  ILE  58          HD11      ILE  58   9.598  -7.262  -3.525
  398   2HD1  ILE  58          HD12      ILE  58  10.358  -8.513  -4.510
  399   3HD1  ILE  58          HD13      ILE  58  10.269  -6.855  -5.105
  400    H    CYS  59           HN       CYS  59  11.460  -3.876  -1.516
  401    HA   CYS  59           HA       CYS  59  14.134  -3.173  -0.548
  402   1HB   CYS  59          HB2       CYS  59  12.847  -2.454   1.430
  403   2HB   CYS  59          HB1       CYS  59  12.073  -1.888  -0.049
  404    H    GLY  60           HN       GLY  60  15.327  -4.301   1.011
  405   1HA   GLY  60          HA2       GLY  60  15.170  -7.101   1.173
  406   2HA   GLY  60          HA1       GLY  60  15.983  -6.097   2.376
  Start of MODEL    8
    1   1H    LYS   1          HT1       LYS   1  -4.850  10.103  -3.938
    2   2H    LYS   1          HT2       LYS   1  -4.000  11.569  -4.075
    3   3H    LYS   1          HT3       LYS   1  -3.567  10.440  -2.882
    4    HA   LYS   1           HA       LYS   1  -3.245  10.134  -5.824
    5   1HB   LYS   1          HB2       LYS   1  -0.883  10.227  -5.222
    6   2HB   LYS   1          HB1       LYS   1  -1.699  11.622  -4.515
    7   1HG   LYS   1          HG2       LYS   1  -1.654  10.714  -2.348
    8   2HG   LYS   1          HG1       LYS   1  -1.406   9.072  -2.939
    9   1HD   LYS   1          HD2       LYS   1   0.820  10.127  -3.929
   10   2HD   LYS   1          HD1       LYS   1   0.573  11.293  -2.629
   11   1HE   LYS   1          HE2       LYS   1   0.111   8.654  -1.580
   12   2HE   LYS   1          HE1       LYS   1   1.683   8.682  -2.404
   13   1HZ   LYS   1          HZ1       LYS   1   2.346  10.577  -1.188
   14   2HZ   LYS   1          HZ2       LYS   1   1.698   9.507  -0.038
   15   3HZ   LYS   1          HZ3       LYS   1   0.787  10.840  -0.575
   16    H    ASP   2           HN       ASP   2  -1.995   8.095  -6.305
   17    HA   ASP   2           HA       ASP   2  -2.971   5.854  -4.585
   18   1HB   ASP   2          HB2       ASP   2  -1.797   5.734  -7.374
   19   2HB   ASP   2          HB1       ASP   2  -2.857   4.560  -6.594
   20    H    GLY   3           HN       GLY   3  -1.434   4.093  -4.117
   21   1HA   GLY   3          HA2       GLY   3   1.257   3.940  -4.803
   22   2HA   GLY   3          HA1       GLY   3   1.219   5.093  -3.471
   23    H    TYR   4           HN       TYR   4   2.626   3.091  -2.722
   24    HA   TYR   4           HA       TYR   4   0.889   0.991  -1.498
   25   1HB   TYR   4          HB2       TYR   4   3.895   1.244  -1.848
   26   2HB   TYR   4          HB1       TYR   4   3.058  -0.177  -1.224
   27    HD1  TYR   4           HD1      TYR   4   2.248  -1.824  -2.700
   28    HD2  TYR   4           HD2      TYR   4   3.218   2.084  -4.200
   29    HE1  TYR   4           HE1      TYR   4   1.886  -2.623  -5.019
   30    HE2  TYR   4           HE2      TYR   4   2.855   1.282  -6.519
   31    HH   TYR   4           HH       TYR   4   1.364  -1.724  -7.210
   32    HA   PRO   5           HA       PRO   5   1.465   3.293   2.290
   33   1HB   PRO   5          HB2       PRO   5   0.001   1.614   3.873
   34   2HB   PRO   5          HB1       PRO   5  -0.736   2.801   2.778
   35   1HG   PRO   5          HG2       PRO   5  -0.388  -0.129   2.432
   36   2HG   PRO   5          HG1       PRO   5  -1.730   0.915   1.942
   37   1HD   PRO   5          HD2       PRO   5   0.202  -0.006   0.230
   38   2HD   PRO   5          HD1       PRO   5  -0.735   1.481  -0.032
   39    H    VAL   6           HN       VAL   6   2.976   3.068   3.951
   40    HA   VAL   6           HA       VAL   6   4.287   0.382   4.221
   41    HB   VAL   6           HB       VAL   6   6.303   1.737   4.796
   42   1HG1  VAL   6          HG11      VAL   6   5.322   2.924   2.243
   43   2HG1  VAL   6          HG12      VAL   6   5.362   1.165   2.354
   44   3HG1  VAL   6          HG13      VAL   6   6.842   2.096   2.588
   45   1HG2  VAL   6          HG21      VAL   6   5.263   4.249   3.762
   46   2HG2  VAL   6          HG22      VAL   6   6.147   3.941   5.256
   47   3HG2  VAL   6          HG23      VAL   6   4.394   3.748   5.213
   48    H    ASP   7           HN       ASP   7   5.502   0.307   6.444
   49    HA   ASP   7           HA       ASP   7   3.517   1.033   8.556
   50   1HB   ASP   7          HB2       ASP   7   4.564  -0.769   9.789
   51   2HB   ASP   7          HB1       ASP   7   4.320  -1.339   8.136
   52    H    SER   8           HN       SER   8   4.831   1.347  10.791
   53    HA   SER   8           HA       SER   8   6.079   3.859  10.784
   54   1HB   SER   8          HB2       SER   8   6.910   3.123  13.031
   55   2HB   SER   8          HB1       SER   8   5.214   2.726  12.772
   56    HG   SER   8           HG       SER   8   7.424   0.982  12.361
   57    H    LYS   9           HN       LYS   9   7.419   0.766   9.912
   58    HA   LYS   9           HA       LYS   9  10.222   1.567  10.234
   59   1HB   LYS   9          HB2       LYS   9   8.960  -0.783  10.250
   60   2HB   LYS   9          HB1       LYS   9   9.302  -0.712   8.522
   61   1HG   LYS   9          HG2       LYS   9  11.136  -1.853   9.662
   62   2HG   LYS   9          HG1       LYS   9  11.705  -0.299   9.048
   63   1HD   LYS   9          HD2       LYS   9  10.729   0.339  11.564
   64   2HD   LYS   9          HD1       LYS   9  11.482  -1.236  11.814
   65   1HE   LYS   9          HE2       LYS   9  13.214   0.315  10.135
   66   2HE   LYS   9          HE1       LYS   9  12.792   1.283  11.562
   67   1HZ   LYS   9          HZ1       LYS   9  13.384  -1.573  11.900
   68   2HZ   LYS   9          HZ2       LYS   9  13.596  -0.292  12.996
   69   3HZ   LYS   9          HZ3       LYS   9  14.681  -0.498  11.704
   70    H    GLY  10           HN       GLY  10   7.949   1.120   7.521
   71   1HA   GLY  10          HA2       GLY  10   8.165   2.909   5.726
   72   2HA   GLY  10          HA1       GLY  10   9.897   2.572   5.774
   73    H    CYS  11           HN       CYS  11   8.345  -0.312   6.302
   74    HA   CYS  11           HA       CYS  11   8.956  -1.255   3.588
   75   1HB   CYS  11          HB2       CYS  11   7.747  -2.633   6.010
   76   2HB   CYS  11          HB1       CYS  11   8.449  -3.435   4.604
   77    H    LYS  12           HN       LYS  12   7.412  -1.981   2.083
   78    HA   LYS  12           HA       LYS  12   4.888  -0.725   1.918
   79   1HB   LYS  12          HB2       LYS  12   5.986  -3.306   0.761
   80   2HB   LYS  12          HB1       LYS  12   4.488  -2.555   0.209
   81   1HG   LYS  12          HG2       LYS  12   6.095  -0.412   0.050
   82   2HG   LYS  12          HG1       LYS  12   7.308  -1.672  -0.181
   83   1HD   LYS  12          HD2       LYS  12   5.141  -2.473  -1.769
   84   2HD   LYS  12          HD1       LYS  12   5.272  -0.733  -2.029
   85   1HE   LYS  12          HE2       LYS  12   6.858  -1.378  -3.569
   86   2HE   LYS  12          HE1       LYS  12   7.906  -1.451  -2.139
   87   1HZ   LYS  12          HZ1       LYS  12   6.232  -3.696  -3.134
   88   2HZ   LYS  12          HZ2       LYS  12   7.304  -3.747  -1.819
   89   3HZ   LYS  12          HZ3       LYS  12   7.902  -3.551  -3.396
   90    H    LEU  13           HN       LEU  13   2.738  -1.568   2.297
   91    HA   LEU  13           HA       LEU  13   2.516  -3.265   4.672
   92   1HB   LEU  13          HB2       LEU  13   1.061  -1.331   4.300
   93   2HB   LEU  13          HB1       LEU  13   0.508  -2.009   2.768
   94    HG   LEU  13           HG       LEU  13  -0.317  -4.020   4.089
   95   1HD1  LEU  13          HD11      LEU  13   0.155  -4.151   6.286
   96   2HD1  LEU  13          HD12      LEU  13  -0.657  -2.611   6.568
   97   3HD1  LEU  13          HD13      LEU  13   1.059  -2.642   6.165
   98   1HD2  LEU  13          HD21      LEU  13  -1.590  -1.414   4.952
   99   2HD2  LEU  13          HD22      LEU  13  -2.386  -2.955   4.638
  100   3HD2  LEU  13          HD23      LEU  13  -1.715  -2.020   3.301
  101    H    SER  14           HN       SER  14   3.384  -5.291   3.867
  102    HA   SER  14           HA       SER  14   2.932  -6.763   1.622
  103   1HB   SER  14          HB2       SER  14   2.421  -8.054   4.285
  104   2HB   SER  14          HB1       SER  14   3.421  -8.621   2.950
  105    HG   SER  14           HG       SER  14   4.055  -7.029   5.062
  106    H    CYS  15           HN       CYS  15   1.209  -7.711   0.573
  107    HA   CYS  15           HA       CYS  15  -1.441  -7.711   1.982
  108   1HB   CYS  15          HB2       CYS  15  -2.421  -6.985  -0.097
  109   2HB   CYS  15          HB1       CYS  15  -1.023  -5.948   0.190
  110    H    VAL  16           HN       VAL  16  -2.557  -9.649   1.872
  111    HA   VAL  16           HA       VAL  16  -1.427 -11.781   0.086
  112    HB   VAL  16           HB       VAL  16  -1.101 -11.838   2.664
  113   1HG1  VAL  16          HG11      VAL  16  -3.881 -12.989   2.650
  114   2HG1  VAL  16          HG12      VAL  16  -3.642 -11.263   2.915
  115   3HG1  VAL  16          HG13      VAL  16  -2.918 -12.432   4.019
  116   1HG2  VAL  16          HG21      VAL  16  -1.676 -14.339   2.669
  117   2HG2  VAL  16          HG22      VAL  16  -0.580 -13.789   1.401
  118   3HG2  VAL  16          HG23      VAL  16  -2.277 -14.093   1.029
  119    H    ALA  17           HN       ALA  17  -4.039  -9.795   0.529
  120    HA   ALA  17           HA       ALA  17  -5.787 -11.505  -1.105
  121   1HB   ALA  17          HB1       ALA  17  -7.554 -11.636   0.558
  122   2HB   ALA  17          HB2       ALA  17  -6.641 -10.613   1.667
  123   3HB   ALA  17          HB3       ALA  17  -6.070 -12.239   1.294
  124    H    ASN  18           HN       ASN  18  -7.862 -10.268  -1.620
  125    HA   ASN  18           HA       ASN  18  -7.210  -7.430  -2.097
  126   1HB   ASN  18          HB2       ASN  18  -9.207  -9.473  -2.986
  127   2HB   ASN  18          HB1       ASN  18  -9.632  -7.771  -3.178
  128   1HD2  ASN  18          HD21      ASN  18  -8.966  -9.751  -5.330
  129   2HD2  ASN  18          HD22      ASN  18  -7.636  -9.095  -6.158
  130    H    ASN  19           HN       ASN  19  -9.504  -9.357  -0.202
  131    HA   ASN  19           HA       ASN  19 -11.269  -7.308   0.652
  132   1HB   ASN  19          HB2       ASN  19 -11.602  -8.894   2.592
  133   2HB   ASN  19          HB1       ASN  19 -11.692  -9.669   1.010
  134   1HD2  ASN  19          HD21      ASN  19 -10.907 -10.928   3.604
  135   2HD2  ASN  19          HD22      ASN  19  -9.339 -11.534   3.369
  136    H    TYR  20           HN       TYR  20  -8.192  -8.425   2.078
  137    HA   TYR  20           HA       TYR  20  -8.212  -6.749   4.385
  138   1HB   TYR  20          HB2       TYR  20  -6.688  -8.568   4.256
  139   2HB   TYR  20          HB1       TYR  20  -6.089  -8.057   2.677
  140    HD1  TYR  20           HD1      TYR  20  -6.567  -6.402   6.018
  141    HD2  TYR  20           HD2      TYR  20  -3.914  -7.244   2.747
  142    HE1  TYR  20           HE1      TYR  20  -4.786  -5.075   7.120
  143    HE2  TYR  20           HE2      TYR  20  -2.132  -5.917   3.850
  144    HH   TYR  20           HH       TYR  20  -2.773  -4.058   6.774
  145    H    CYS  21           HN       CYS  21  -6.723  -6.223   1.166
  146    HA   CYS  21           HA       CYS  21  -5.731  -3.584   1.757
  147   1HB   CYS  21          HB2       CYS  21  -6.246  -5.297  -0.650
  148   2HB   CYS  21          HB1       CYS  21  -5.866  -3.592  -0.896
  149    H    ASP  22           HN       ASP  22  -8.740  -4.777   0.270
  150    HA   ASP  22           HA       ASP  22  -9.846  -2.346  -0.630
  151   1HB   ASP  22          HB2       ASP  22 -10.751  -4.609  -1.023
  152   2HB   ASP  22          HB1       ASP  22 -11.170  -4.740   0.686
  153    H    ASN  23           HN       ASN  23 -10.432  -3.909   2.546
  154    HA   ASN  23           HA       ASN  23 -11.852  -1.697   3.686
  155   1HB   ASN  23          HB2       ASN  23 -11.494  -4.257   4.319
  156   2HB   ASN  23          HB1       ASN  23 -10.210  -3.593   5.330
  157   1HD2  ASN  23          HD21      ASN  23 -13.199  -4.646   5.772
  158   2HD2  ASN  23          HD22      ASN  23 -13.816  -3.495   6.856
  159    H    GLN  24           HN       GLN  24  -8.422  -2.690   3.952
  160    HA   GLN  24           HA       GLN  24  -7.531  -0.683   5.741
  161   1HB   GLN  24          HB2       GLN  24  -6.337  -2.736   4.842
  162   2HB   GLN  24          HB1       GLN  24  -6.038  -1.824   3.362
  163   1HG   GLN  24          HG2       GLN  24  -4.157  -1.774   5.080
  164   2HG   GLN  24          HG1       GLN  24  -4.716  -0.199   4.519
  165   1HE2  GLN  24          HE21      GLN  24  -6.476  -2.272   6.836
  166   2HE2  GLN  24          HE22      GLN  24  -6.328  -1.206   8.150
  167    H    CYS  25           HN       CYS  25  -6.923  -0.598   2.208
  168    HA   CYS  25           HA       CYS  25  -6.160   2.049   1.917
  169   1HB   CYS  25          HB2       CYS  25  -8.021   0.404   0.170
  170   2HB   CYS  25          HB1       CYS  25  -7.139   1.833  -0.369
  171    H    LYS  26           HN       LYS  26  -9.540   0.881   1.698
  172    HA   LYS  26           HA       LYS  26 -10.920   3.271   1.414
  173   1HB   LYS  26          HB2       LYS  26 -11.723   0.840   1.629
  174   2HB   LYS  26          HB1       LYS  26 -11.691   1.096   3.373
  175   1HG   LYS  26          HG2       LYS  26 -13.438   2.625   3.323
  176   2HG   LYS  26          HG1       LYS  26 -13.112   3.097   1.655
  177   1HD   LYS  26          HD2       LYS  26 -14.010   0.292   2.273
  178   2HD   LYS  26          HD1       LYS  26 -15.196   1.595   2.163
  179   1HE   LYS  26          HE2       LYS  26 -14.905   1.847  -0.110
  180   2HE   LYS  26          HE1       LYS  26 -13.182   1.422  -0.038
  181   1HZ   LYS  26          HZ1       LYS  26 -13.663  -0.831   0.171
  182   2HZ   LYS  26          HZ2       LYS  26 -14.788  -0.308  -0.990
  183   3HZ   LYS  26          HZ3       LYS  26 -15.277  -0.556   0.618
  184    H    MET  27           HN       MET  27  -9.944   1.812   4.541
  185    HA   MET  27           HA       MET  27 -10.830   3.892   6.242
  186   1HB   MET  27          HB2       MET  27  -8.548   1.904   6.364
  187   2HB   MET  27          HB1       MET  27  -8.971   2.940   7.728
  188   1HG   MET  27          HG2       MET  27 -11.426   1.947   7.028
  189   2HG   MET  27          HG1       MET  27 -10.378   0.578   6.654
  190   1HE   MET  27          HE1       MET  27 -11.494  -0.914   8.369
  191   2HE   MET  27          HE2       MET  27 -10.526  -1.144   9.823
  192   3HE   MET  27          HE3       MET  27  -9.739  -1.096   8.248
  193    H    LYS  28           HN       LYS  28  -8.062   3.756   4.098
  194    HA   LYS  28           HA       LYS  28  -6.874   6.169   5.382
  195   1HB   LYS  28          HB2       LYS  28  -5.984   4.118   3.354
  196   2HB   LYS  28          HB1       LYS  28  -5.070   5.606   3.611
  197   1HG   LYS  28          HG2       LYS  28  -4.615   5.074   5.873
  198   2HG   LYS  28          HG1       LYS  28  -5.869   3.834   5.918
  199   1HD   LYS  28          HD2       LYS  28  -3.706   2.741   5.778
  200   2HD   LYS  28          HD1       LYS  28  -4.550   2.517   4.245
  201   1HE   LYS  28          HE2       LYS  28  -2.257   3.167   3.755
  202   2HE   LYS  28          HE1       LYS  28  -3.300   4.551   3.373
  203   1HZ   LYS  28          HZ1       LYS  28  -2.418   4.329   6.134
  204   2HZ   LYS  28          HZ2       LYS  28  -2.587   5.708   5.157
  205   3HZ   LYS  28          HZ3       LYS  28  -1.209   4.724   5.013
  206    H    LYS  29           HN       LYS  29  -9.385   6.500   4.004
  207    HA   LYS  29           HA       LYS  29 -10.360   7.971   2.437
  208   1HB   LYS  29          HB2       LYS  29  -8.726   9.462   3.545
  209   2HB   LYS  29          HB1       LYS  29  -7.495   8.969   2.382
  210   1HG   LYS  29          HG2       LYS  29  -8.541  10.068   0.603
  211   2HG   LYS  29          HG1       LYS  29 -10.113  10.073   1.403
  212   1HD   LYS  29          HD2       LYS  29  -9.693  12.064   2.370
  213   2HD   LYS  29          HD1       LYS  29  -8.145  11.491   2.993
  214   1HE   LYS  29          HE2       LYS  29  -6.957  12.357   1.214
  215   2HE   LYS  29          HE1       LYS  29  -8.284  12.086   0.066
  216   1HZ   LYS  29          HZ1       LYS  29  -8.661  13.969   2.291
  217   2HZ   LYS  29          HZ2       LYS  29  -9.399  13.951   0.761
  218   3HZ   LYS  29          HZ3       LYS  29  -7.793  14.480   0.927
  219    H    ALA  30           HN       ALA  30  -8.745   5.428   1.528
  220    HA   ALA  30           HA       ALA  30  -8.207   6.260  -1.289
  221   1HB   ALA  30          HB1       ALA  30  -6.427   4.942  -0.776
  222   2HB   ALA  30          HB2       ALA  30  -7.538   3.595  -1.024
  223   3HB   ALA  30          HB3       ALA  30  -7.254   4.216   0.601
  224    H    SER  31           HN       SER  31  -9.150   4.942  -3.027
  225    HA   SER  31           HA       SER  31 -11.762   3.693  -2.231
  226   1HB   SER  31          HB2       SER  31 -11.052   4.923  -4.900
  227   2HB   SER  31          HB1       SER  31 -12.655   4.617  -4.238
  228    HG   SER  31           HG       SER  31 -11.665   6.110  -2.465
  229    H    GLY  32           HN       GLY  32  -8.917   3.450  -4.330
  230   1HA   GLY  32          HA2       GLY  32  -9.843   0.795  -5.304
  231   2HA   GLY  32          HA1       GLY  32  -8.485   1.712  -5.963
  232    H    GLY  33           HN       GLY  33  -9.521  -0.250  -3.203
  233   1HA   GLY  33          HA2       GLY  33  -6.658  -0.516  -2.401
  234   2HA   GLY  33          HA1       GLY  33  -8.031  -0.849  -1.346
  235    H    HIS  34           HN       HIS  34  -5.655  -2.367  -2.979
  236    HA   HIS  34           HA       HIS  34  -7.053  -4.946  -2.883
  237   1HB   HIS  34          HB2       HIS  34  -7.118  -5.354  -5.190
  238   2HB   HIS  34          HB1       HIS  34  -7.502  -3.637  -5.125
  239    HD1  HIS  34           HD1      HIS  34  -5.588  -1.958  -5.800
  240    HD2  HIS  34           HD2      HIS  34  -4.647  -5.975  -6.403
  241    HE1  HIS  34           HE1      HIS  34  -3.538  -1.999  -7.287
  242    H    CYS  35           HN       CYS  35  -5.433  -6.742  -3.525
  243    HA   CYS  35           HA       CYS  35  -2.759  -5.971  -2.470
  244   1HB   CYS  35          HB2       CYS  35  -3.860  -7.787  -1.349
  245   2HB   CYS  35          HB1       CYS  35  -4.245  -8.578  -2.878
  246    H    TYR  36           HN       TYR  36  -0.928  -6.071  -3.733
  247    HA   TYR  36           HA       TYR  36  -0.939  -7.570  -6.284
  248   1HB   TYR  36          HB2       TYR  36  -1.763  -4.925  -6.186
  249   2HB   TYR  36          HB1       TYR  36  -0.059  -4.788  -6.622
  250    HD1  TYR  36           HD1      TYR  36   0.250  -4.596  -8.917
  251    HD2  TYR  36           HD2      TYR  36  -2.806  -7.220  -7.428
  252    HE1  TYR  36           HE1      TYR  36  -0.284  -5.288 -11.237
  253    HE2  TYR  36           HE2      TYR  36  -3.343  -7.914  -9.748
  254    HH   TYR  36           HH       TYR  36  -1.410  -7.554 -12.266
  255    H    ALA  37           HN       ALA  37   1.125  -8.340  -6.667
  256    HA   ALA  37           HA       ALA  37   3.446  -8.677  -6.370
  257   1HB   ALA  37          HB1       ALA  37   3.003  -5.711  -6.074
  258   2HB   ALA  37          HB2       ALA  37   3.762  -6.586  -7.402
  259   3HB   ALA  37          HB3       ALA  37   4.620  -6.385  -5.874
  260    H    MET  38           HN       MET  38   1.856  -9.345  -4.129
  261    HA   MET  38           HA       MET  38   2.027  -9.741  -1.805
  262   1HB   MET  38          HB2       MET  38   4.903  -9.001  -2.431
  263   2HB   MET  38          HB1       MET  38   4.355  -9.943  -1.044
  264   1HG   MET  38          HG2       MET  38   3.301 -11.074  -3.483
  265   2HG   MET  38          HG1       MET  38   5.055 -10.922  -3.596
  266   1HE   MET  38          HE1       MET  38   6.277 -13.079  -3.171
  267   2HE   MET  38          HE2       MET  38   4.745 -13.484  -3.941
  268   3HE   MET  38          HE3       MET  38   5.341 -14.471  -2.610
  269    H    SER  39           HN       SER  39   1.875  -6.796  -2.971
  270    HA   SER  39           HA       SER  39   2.405  -5.499  -0.324
  271   1HB   SER  39          HB2       SER  39   2.856  -4.195  -3.014
  272   2HB   SER  39          HB1       SER  39   3.446  -3.668  -1.442
  273    HG   SER  39           HG       SER  39   5.127  -4.855  -1.816
  274    H    CYS  40           HN       CYS  40   0.733  -4.179   0.360
  275    HA   CYS  40           HA       CYS  40  -1.805  -4.267  -1.034
  276   1HB   CYS  40          HB2       CYS  40  -1.204  -4.117   1.489
  277   2HB   CYS  40          HB1       CYS  40  -1.042  -2.385   1.196
  278    H    TYR  41           HN       TYR  41  -2.785  -2.660  -2.265
  279    HA   TYR  41           HA       TYR  41  -1.242  -0.126  -2.707
  280   1HB   TYR  41          HB2       TYR  41  -0.987  -1.890  -4.498
  281   2HB   TYR  41          HB1       TYR  41  -2.724  -1.768  -4.783
  282    HD1  TYR  41           HD1      TYR  41  -3.659   0.056  -6.018
  283    HD2  TYR  41           HD2      TYR  41   0.467   0.129  -4.834
  284    HE1  TYR  41           HE1      TYR  41  -3.277   2.028  -7.473
  285    HE2  TYR  41           HE2      TYR  41   0.852   2.100  -6.290
  286    HH   TYR  41           HH       TYR  41  -0.546   2.979  -8.593
  287    H    CYS  42           HN       CYS  42  -2.531   1.726  -2.789
  288    HA   CYS  42           HA       CYS  42  -5.503   1.320  -2.734
  289   1HB   CYS  42          HB2       CYS  42  -3.948   3.386  -1.161
  290   2HB   CYS  42          HB1       CYS  42  -5.631   2.911  -0.943
  291    H    GLU  43           HN       GLU  43  -6.689   2.854  -3.910
  292    HA   GLU  43           HA       GLU  43  -5.073   4.811  -5.511
  293   1HB   GLU  43          HB2       GLU  43  -6.394   2.802  -6.515
  294   2HB   GLU  43          HB1       GLU  43  -7.829   3.767  -6.167
  295   1HG   GLU  43          HG2       GLU  43  -6.932   5.618  -7.513
  296   2HG   GLU  43          HG1       GLU  43  -5.471   4.684  -7.839
  297    H    GLY  44           HN       GLY  44  -5.257   6.723  -4.311
  298   1HA   GLY  44          HA2       GLY  44  -6.909   8.678  -4.330
  299   2HA   GLY  44          HA1       GLY  44  -8.025   7.559  -3.547
  300    H    LEU  45           HN       LEU  45  -4.818   7.053  -2.550
  301    HA   LEU  45           HA       LEU  45  -5.306   7.669   0.182
  302   1HB   LEU  45          HB2       LEU  45  -2.806   7.409  -1.508
  303   2HB   LEU  45          HB1       LEU  45  -2.759   7.551   0.250
  304    HG   LEU  45           HG       LEU  45  -4.297   5.420  -1.260
  305   1HD1  LEU  45          HD11      LEU  45  -2.024   4.874  -1.586
  306   2HD1  LEU  45          HD12      LEU  45  -2.467   3.961  -0.144
  307   3HD1  LEU  45          HD13      LEU  45  -1.562   5.467   0.009
  308   1HD2  LEU  45          HD21      LEU  45  -3.919   6.148   1.624
  309   2HD2  LEU  45          HD22      LEU  45  -4.088   4.445   1.197
  310   3HD2  LEU  45          HD23      LEU  45  -5.371   5.587   0.795
  311    HA   PRO  46           HA       PRO  46  -4.607  12.002   0.453
  312   1HB   PRO  46          HB2       PRO  46  -3.268  12.203   2.834
  313   2HB   PRO  46          HB1       PRO  46  -4.999  11.822   2.730
  314   1HG   PRO  46          HG2       PRO  46  -2.689  10.011   3.200
  315   2HG   PRO  46          HG1       PRO  46  -4.318   9.967   3.890
  316   1HD   PRO  46          HD2       PRO  46  -3.469   8.334   1.861
  317   2HD   PRO  46          HD1       PRO  46  -5.167   8.782   2.134
  318    H    GLU  47           HN       GLU  47  -3.030  13.452  -0.274
  319    HA   GLU  47           HA       GLU  47  -0.621  12.568  -1.436
  320   1HB   GLU  47          HB2       GLU  47  -1.887  14.709  -1.818
  321   2HB   GLU  47          HB1       GLU  47  -1.237  15.307  -0.291
  322   1HG   GLU  47          HG2       GLU  47   0.651  14.217  -2.351
  323   2HG   GLU  47          HG1       GLU  47   0.013  15.850  -2.548
  324    H    ASN  48           HN       ASN  48  -1.270  13.519   1.892
  325    HA   ASN  48           HA       ASN  48   1.596  13.698   2.556
  326   1HB   ASN  48          HB2       ASN  48   0.814  14.575   4.593
  327   2HB   ASN  48          HB1       ASN  48  -0.420  15.085   3.444
  328   1HD2  ASN  48          HD21      ASN  48  -2.554  14.398   3.848
  329   2HD2  ASN  48          HD22      ASN  48  -2.980  13.264   5.038
  330    H    ALA  49           HN       ALA  49  -0.341  11.087   2.000
  331    HA   ALA  49           HA       ALA  49   0.116   9.473   4.354
  332   1HB   ALA  49          HB1       ALA  49  -1.235   8.095   3.184
  333   2HB   ALA  49          HB2       ALA  49  -0.055   7.971   1.880
  334   3HB   ALA  49          HB3       ALA  49  -1.227   9.287   1.886
  335    H    LYS  50           HN       LYS  50   1.697   7.808   4.624
  336    HA   LYS  50           HA       LYS  50   4.275   8.382   3.261
  337   1HB   LYS  50          HB2       LYS  50   3.659   8.070   5.841
  338   2HB   LYS  50          HB1       LYS  50   3.918   6.370   5.450
  339   1HG   LYS  50          HG2       LYS  50   5.878   8.659   5.230
  340   2HG   LYS  50          HG1       LYS  50   6.046   7.163   6.147
  341   1HD   LYS  50          HD2       LYS  50   6.155   5.874   4.057
  342   2HD   LYS  50          HD1       LYS  50   5.944   7.355   3.123
  343   1HE   LYS  50          HE2       LYS  50   8.326   6.851   3.189
  344   2HE   LYS  50          HE1       LYS  50   8.045   8.246   4.250
  345   1HZ   LYS  50          HZ1       LYS  50   8.681   7.065   6.004
  346   2HZ   LYS  50          HZ2       LYS  50   9.110   5.786   4.972
  347   3HZ   LYS  50          HZ3       LYS  50   7.558   5.841   5.659
  348    H    VAL  51           HN       VAL  51   4.239   7.279   1.279
  349    HA   VAL  51           HA       VAL  51   3.751   4.321   1.425
  350    HB   VAL  51           HB       VAL  51   2.924   4.648  -0.955
  351   1HG1  VAL  51          HG11      VAL  51   1.596   5.891   1.445
  352   2HG1  VAL  51          HG12      VAL  51   1.214   4.371   0.636
  353   3HG1  VAL  51          HG13      VAL  51   0.797   5.906  -0.126
  354   1HG2  VAL  51          HG21      VAL  51   2.766   7.567  -0.188
  355   2HG2  VAL  51          HG22      VAL  51   2.515   6.839  -1.775
  356   3HG2  VAL  51          HG23      VAL  51   4.138   6.924  -1.091
  357    H    SER  52           HN       SER  52   4.865   3.164  -0.434
  358    HA   SER  52           HA       SER  52   7.649   4.129  -0.673
  359   1HB   SER  52          HB2       SER  52   7.167   1.812  -0.046
  360   2HB   SER  52          HB1       SER  52   6.191   1.595  -1.496
  361    HG   SER  52           HG       SER  52   8.630   1.000  -1.354
  362    H    ASP  53           HN       ASP  53   8.578   4.769  -2.640
  363    HA   ASP  53           HA       ASP  53   6.682   5.247  -4.890
  364   1HB   ASP  53          HB2       ASP  53   8.507   6.786  -5.623
  365   2HB   ASP  53          HB1       ASP  53   7.964   7.129  -3.979
  366    H    SER  54           HN       SER  54   7.836   2.550  -4.332
  367    HA   SER  54           HA       SER  54   8.919   2.042  -7.040
  368   1HB   SER  54          HB2       SER  54  11.029   1.344  -6.321
  369   2HB   SER  54          HB1       SER  54  10.716   2.660  -5.191
  370    HG   SER  54           HG       SER  54  11.080   0.053  -4.697
  371    H    ALA  55           HN       ALA  55   8.592  -0.155  -7.662
  372    HA   ALA  55           HA       ALA  55   6.552  -1.608  -6.185
  373   1HB   ALA  55          HB1       ALA  55   6.696  -3.114  -8.067
  374   2HB   ALA  55          HB2       ALA  55   8.310  -2.532  -8.477
  375   3HB   ALA  55          HB3       ALA  55   6.910  -1.480  -8.696
  376    H    THR  56           HN       THR  56  10.011  -1.560  -6.155
  377    HA   THR  56           HA       THR  56  10.034  -4.062  -4.494
  378    HB   THR  56           HB       THR  56  12.228  -2.946  -6.268
  379    HG1  THR  56           HG1      THR  56  10.427  -3.615  -7.480
  380   1HG2  THR  56          HG21      THR  56  12.524  -5.698  -5.921
  381   2HG2  THR  56          HG22      THR  56  12.039  -5.113  -4.329
  382   3HG2  THR  56          HG23      THR  56  13.466  -4.441  -5.119
  383    H    ASN  57           HN       ASN  57  10.411  -3.463  -2.386
  384    HA   ASN  57           HA       ASN  57  12.000  -0.993  -1.848
  385   1HB   ASN  57          HB2       ASN  57  10.844  -0.973   0.236
  386   2HB   ASN  57          HB1       ASN  57   9.639  -1.495  -0.939
  387   1HD2  ASN  57          HD21      ASN  57   8.842  -3.672  -0.788
  388   2HD2  ASN  57          HD22      ASN  57   9.269  -4.719   0.477
  389    H    ILE  58           HN       ILE  58  13.432  -1.192   0.188
  390    HA   ILE  58           HA       ILE  58  14.953  -3.764   0.040
  391    HB   ILE  58           HB       ILE  58  15.772  -0.983   0.941
  392   1HG1  ILE  58          HG12      ILE  58  17.147  -1.640  -1.385
  393   2HG1  ILE  58          HG11      ILE  58  15.514  -2.231  -1.695
  394   1HG2  ILE  58          HG21      ILE  58  17.151  -3.628   0.740
  395   2HG2  ILE  58          HG22      ILE  58  17.349  -2.348   1.937
  396   3HG2  ILE  58          HG23      ILE  58  18.072  -2.180   0.338
  397   1HD1  ILE  58          HD11      ILE  58  15.889   0.501  -0.506
  398   2HD1  ILE  58          HD12      ILE  58  14.561  -0.113  -1.492
  399   3HD1  ILE  58          HD13      ILE  58  16.111   0.272  -2.240
  400    H    CYS  59           HN       CYS  59  12.745  -3.930   1.658
  401    HA   CYS  59           HA       CYS  59  13.410  -3.164   4.421
  402   1HB   CYS  59          HB2       CYS  59  11.109  -3.164   3.421
  403   2HB   CYS  59          HB1       CYS  59  11.210  -4.919   3.282
  404    H    GLY  60           HN       GLY  60  14.576  -4.455   5.789
  405   1HA   GLY  60          HA2       GLY  60  14.457  -7.387   5.520
  406   2HA   GLY  60          HA1       GLY  60  16.045  -6.664   5.263
  Start of MODEL    9
    1   1H    LYS   1          HT1       LYS   1  -4.613   9.997  -4.106
    2   2H    LYS   1          HT2       LYS   1  -4.426  11.301  -5.178
    3   3H    LYS   1          HT3       LYS   1  -3.543  11.258  -3.728
    4    HA   LYS   1           HA       LYS   1  -2.839  10.186  -6.251
    5   1HB   LYS   1          HB2       LYS   1  -0.696  10.116  -5.136
    6   2HB   LYS   1          HB1       LYS   1  -1.551  11.533  -4.523
    7   1HG   LYS   1          HG2       LYS   1  -2.327  10.167  -2.577
    8   2HG   LYS   1          HG1       LYS   1  -1.337   8.831  -3.166
    9   1HD   LYS   1          HD2       LYS   1   0.505  10.822  -3.184
   10   2HD   LYS   1          HD1       LYS   1  -0.512  11.356  -1.844
   11   1HE   LYS   1          HE2       LYS   1  -0.320   9.009  -0.887
   12   2HE   LYS   1          HE1       LYS   1   0.916   8.693  -2.121
   13   1HZ   LYS   1          HZ1       LYS   1   2.361  10.145  -1.191
   14   2HZ   LYS   1          HZ2       LYS   1   1.497   9.776   0.225
   15   3HZ   LYS   1          HZ3       LYS   1   1.145  11.193  -0.644
   16    H    ASP   2           HN       ASP   2  -1.748   8.035  -6.481
   17    HA   ASP   2           HA       ASP   2  -3.062   5.925  -4.797
   18   1HB   ASP   2          HB2       ASP   2  -2.328   5.783  -7.736
   19   2HB   ASP   2          HB1       ASP   2  -3.327   4.645  -6.832
   20    H    GLY   3           HN       GLY   3  -1.746   4.052  -4.369
   21   1HA   GLY   3          HA2       GLY   3   0.787   3.492  -5.481
   22   2HA   GLY   3          HA1       GLY   3   1.068   4.557  -4.104
   23    H    TYR   4           HN       TYR   4   2.222   2.524  -3.354
   24    HA   TYR   4           HA       TYR   4   0.364   0.461  -2.253
   25   1HB   TYR   4          HB2       TYR   4   3.391   0.594  -2.472
   26   2HB   TYR   4          HB1       TYR   4   2.463  -0.810  -1.947
   27    HD1  TYR   4           HD1      TYR   4   1.467  -2.289  -3.516
   28    HD2  TYR   4           HD2      TYR   4   3.052   1.483  -4.821
   29    HE1  TYR   4           HE1      TYR   4   1.182  -2.987  -5.878
   30    HE2  TYR   4           HE2      TYR   4   2.767   0.785  -7.184
   31    HH   TYR   4           HH       TYR   4   2.383  -2.277  -8.160
   32    HA   PRO   5           HA       PRO   5   0.865   2.484   1.662
   33   1HB   PRO   5          HB2       PRO   5  -0.390   0.592   3.184
   34   2HB   PRO   5          HB1       PRO   5  -1.270   1.747   2.163
   35   1HG   PRO   5          HG2       PRO   5  -0.631  -1.113   1.666
   36   2HG   PRO   5          HG1       PRO   5  -2.082  -0.190   1.249
   37   1HD   PRO   5          HD2       PRO   5  -0.099  -0.825  -0.536
   38   2HD   PRO   5          HD1       PRO   5  -1.192   0.566  -0.712
   39    H    VAL   6           HN       VAL   6   2.445   2.328   3.267
   40    HA   VAL   6           HA       VAL   6   3.940  -0.271   3.446
   41    HB   VAL   6           HB       VAL   6   5.937   1.201   3.806
   42   1HG1  VAL   6          HG11      VAL   6   4.320   1.013   1.352
   43   2HG1  VAL   6          HG12      VAL   6   6.029   0.658   1.605
   44   3HG1  VAL   6          HG13      VAL   6   5.504   2.320   1.338
   45   1HG2  VAL   6          HG21      VAL   6   3.918   3.159   4.150
   46   2HG2  VAL   6          HG22      VAL   6   4.790   3.596   2.681
   47   3HG2  VAL   6          HG23      VAL   6   5.664   3.402   4.201
   48    H    ASP   7           HN       ASP   7   5.224  -0.373   5.549
   49    HA   ASP   7           HA       ASP   7   3.435   0.429   7.786
   50   1HB   ASP   7          HB2       ASP   7   4.943  -1.194   9.019
   51   2HB   ASP   7          HB1       ASP   7   4.088  -1.898   7.646
   52    H    SER   8           HN       SER   8   4.856   0.911   9.899
   53    HA   SER   8           HA       SER   8   6.035   3.450   9.665
   54   1HB   SER   8          HB2       SER   8   6.503   3.147  11.931
   55   2HB   SER   8          HB1       SER   8   5.285   1.900  11.677
   56    HG   SER   8           HG       SER   8   7.680   1.548  12.587
   57    H    LYS   9           HN       LYS   9   7.376   0.353   8.868
   58    HA   LYS   9           HA       LYS   9  10.183   1.152   9.058
   59   1HB   LYS   9          HB2       LYS   9   8.927  -1.186   9.146
   60   2HB   LYS   9          HB1       LYS   9   9.148  -1.124   7.397
   61   1HG   LYS   9          HG2       LYS   9  11.080  -2.239   8.217
   62   2HG   LYS   9          HG1       LYS   9  11.611  -0.589   7.888
   63   1HD   LYS   9          HD2       LYS   9  11.245  -0.019  10.280
   64   2HD   LYS   9          HD1       LYS   9  10.796  -1.696  10.592
   65   1HE   LYS   9          HE2       LYS   9  13.097  -2.304   9.555
   66   2HE   LYS   9          HE1       LYS   9  13.500  -0.595   9.814
   67   1HZ   LYS   9          HZ1       LYS   9  12.537  -2.531  11.852
   68   2HZ   LYS   9          HZ2       LYS   9  12.690  -0.861  12.125
   69   3HZ   LYS   9          HZ3       LYS   9  14.066  -1.799  11.789
   70    H    GLY  10           HN       GLY  10   7.671   1.092   6.567
   71   1HA   GLY  10          HA2       GLY  10   7.806   2.656   4.686
   72   2HA   GLY  10          HA1       GLY  10   9.564   2.511   4.748
   73    H    CYS  11           HN       CYS  11   8.080  -0.484   5.225
   74    HA   CYS  11           HA       CYS  11   8.864  -1.336   2.493
   75   1HB   CYS  11          HB2       CYS  11   8.385  -2.573   5.172
   76   2HB   CYS  11          HB1       CYS  11   8.179  -3.598   3.752
   77    H    LYS  12           HN       LYS  12   7.382  -2.569   1.168
   78    HA   LYS  12           HA       LYS  12   4.694  -1.557   1.080
   79   1HB   LYS  12          HB2       LYS  12   5.879  -4.042  -0.194
   80   2HB   LYS  12          HB1       LYS  12   4.505  -3.107  -0.785
   81   1HG   LYS  12          HG2       LYS  12   6.510  -1.201  -0.510
   82   2HG   LYS  12          HG1       LYS  12   7.366  -2.614  -1.130
   83   1HD   LYS  12          HD2       LYS  12   4.773  -1.676  -2.358
   84   2HD   LYS  12          HD1       LYS  12   6.329  -1.023  -2.872
   85   1HE   LYS  12          HE2       LYS  12   6.903  -2.943  -3.972
   86   2HE   LYS  12          HE1       LYS  12   6.219  -3.980  -2.704
   87   1HZ   LYS  12          HZ1       LYS  12   4.921  -4.008  -4.804
   88   2HZ   LYS  12          HZ2       LYS  12   4.591  -2.355  -4.585
   89   3HZ   LYS  12          HZ3       LYS  12   4.022  -3.494  -3.462
   90    H    LEU  13           HN       LEU  13   2.724  -2.643   1.589
   91    HA   LEU  13           HA       LEU  13   2.936  -4.625   3.771
   92   1HB   LEU  13          HB2       LEU  13   1.411  -2.470   3.438
   93   2HB   LEU  13          HB1       LEU  13   0.365  -3.619   2.604
   94    HG   LEU  13           HG       LEU  13   0.561  -5.114   4.645
   95   1HD1  LEU  13          HD11      LEU  13   2.423  -3.044   5.364
   96   2HD1  LEU  13          HD12      LEU  13   2.059  -4.541   6.223
   97   3HD1  LEU  13          HD13      LEU  13   1.120  -3.084   6.551
   98   1HD2  LEU  13          HD21      LEU  13  -1.020  -3.694   6.001
   99   2HD2  LEU  13          HD22      LEU  13  -1.454  -3.805   4.295
  100   3HD2  LEU  13          HD23      LEU  13  -0.667  -2.353   4.912
  101    H    SER  14           HN       SER  14   3.437  -6.633   2.790
  102    HA   SER  14           HA       SER  14   2.643  -7.728   0.377
  103   1HB   SER  14          HB2       SER  14   3.117  -8.772   3.140
  104   2HB   SER  14          HB1       SER  14   2.470  -9.891   1.944
  105    HG   SER  14           HG       SER  14   4.956  -9.200   2.250
  106    H    CYS  15           HN       CYS  15   0.721  -8.571  -0.473
  107    HA   CYS  15           HA       CYS  15  -1.674  -8.553   1.333
  108   1HB   CYS  15          HB2       CYS  15  -2.907  -7.452  -0.404
  109   2HB   CYS  15          HB1       CYS  15  -1.380  -6.581  -0.268
  110    H    VAL  16           HN       VAL  16  -2.969 -10.360   1.154
  111    HA   VAL  16           HA       VAL  16  -2.365 -12.283  -1.069
  112    HB   VAL  16           HB       VAL  16  -1.553 -12.790   1.318
  113   1HG1  VAL  16          HG11      VAL  16  -3.968 -11.962   2.117
  114   2HG1  VAL  16          HG12      VAL  16  -3.063 -13.179   3.016
  115   3HG1  VAL  16          HG13      VAL  16  -4.343 -13.672   1.908
  116   1HG2  VAL  16          HG21      VAL  16  -3.518 -14.866   0.387
  117   2HG2  VAL  16          HG22      VAL  16  -1.874 -15.082   0.986
  118   3HG2  VAL  16          HG23      VAL  16  -2.144 -14.445  -0.636
  119    H    ALA  17           HN       ALA  17  -4.685 -10.309   0.387
  120    HA   ALA  17           HA       ALA  17  -6.860 -11.625  -1.148
  121   1HB   ALA  17          HB1       ALA  17  -6.662 -12.533   1.248
  122   2HB   ALA  17          HB2       ALA  17  -8.243 -11.904   0.784
  123   3HB   ALA  17          HB3       ALA  17  -7.163 -10.929   1.782
  124    H    ASN  18           HN       ASN  18  -8.623 -10.144  -1.569
  125    HA   ASN  18           HA       ASN  18  -7.855  -7.358  -1.738
  126   1HB   ASN  18          HB2       ASN  18 -10.366  -8.968  -2.225
  127   2HB   ASN  18          HB1       ASN  18 -10.330  -7.221  -2.467
  128   1HD2  ASN  18          HD21      ASN  18 -10.785  -8.797  -4.721
  129   2HD2  ASN  18          HD22      ASN  18  -9.411  -8.797  -5.718
  130    H    ASN  19           HN       ASN  19 -10.175  -9.145   0.314
  131    HA   ASN  19           HA       ASN  19 -11.393  -7.046   1.699
  132   1HB   ASN  19          HB2       ASN  19 -11.517  -8.745   3.563
  133   2HB   ASN  19          HB1       ASN  19 -11.984  -9.385   1.987
  134   1HD2  ASN  19          HD21      ASN  19 -10.528 -10.547   4.548
  135   2HD2  ASN  19          HD22      ASN  19  -9.237 -11.415   3.868
  136    H    TYR  20           HN       TYR  20  -8.253  -8.596   2.455
  137    HA   TYR  20           HA       TYR  20  -7.595  -7.149   4.788
  138   1HB   TYR  20          HB2       TYR  20  -6.384  -9.094   3.807
  139   2HB   TYR  20          HB1       TYR  20  -5.797  -8.051   2.512
  140    HD1  TYR  20           HD1      TYR  20  -3.700  -7.081   2.773
  141    HD2  TYR  20           HD2      TYR  20  -5.995  -8.079   6.263
  142    HE1  TYR  20           HE1      TYR  20  -1.830  -6.329   4.216
  143    HE2  TYR  20           HE2      TYR  20  -4.125  -7.326   7.708
  144    HH   TYR  20           HH       TYR  20  -1.106  -7.001   6.782
  145    H    CYS  21           HN       CYS  21  -6.949  -6.309   1.373
  146    HA   CYS  21           HA       CYS  21  -5.693  -3.766   2.008
  147   1HB   CYS  21          HB2       CYS  21  -6.693  -5.237  -0.413
  148   2HB   CYS  21          HB1       CYS  21  -6.257  -3.535  -0.568
  149    H    ASP  22           HN       ASP  22  -8.988  -4.831   1.349
  150    HA   ASP  22           HA       ASP  22 -10.207  -2.369   0.653
  151   1HB   ASP  22          HB2       ASP  22 -11.017  -4.889   0.891
  152   2HB   ASP  22          HB1       ASP  22 -11.556  -4.329   2.474
  153    H    ASN  23           HN       ASN  23  -9.777  -3.812   3.911
  154    HA   ASN  23           HA       ASN  23 -10.860  -1.481   5.277
  155   1HB   ASN  23          HB2       ASN  23 -10.574  -4.057   5.906
  156   2HB   ASN  23          HB1       ASN  23  -9.053  -3.478   6.586
  157   1HD2  ASN  23          HD21      ASN  23  -9.664  -3.632   8.821
  158   2HD2  ASN  23          HD22      ASN  23 -10.895  -2.683   9.502
  159    H    GLN  24           HN       GLN  24  -7.544  -2.818   4.934
  160    HA   GLN  24           HA       GLN  24  -6.143  -0.836   6.357
  161   1HB   GLN  24          HB2       GLN  24  -5.348  -3.021   5.293
  162   2HB   GLN  24          HB1       GLN  24  -5.236  -2.132   3.774
  163   1HG   GLN  24          HG2       GLN  24  -3.079  -2.261   5.123
  164   2HG   GLN  24          HG1       GLN  24  -3.590  -0.636   4.667
  165   1HE2  GLN  24          HE21      GLN  24  -4.236  -2.936   7.388
  166   2HE2  GLN  24          HE22      GLN  24  -4.114  -1.755   8.601
  167    H    CYS  25           HN       CYS  25  -6.832  -0.876   2.824
  168    HA   CYS  25           HA       CYS  25  -5.754   1.678   2.211
  169   1HB   CYS  25          HB2       CYS  25  -8.007  -0.007   1.102
  170   2HB   CYS  25          HB1       CYS  25  -7.561   1.527   0.360
  171    H    LYS  26           HN       LYS  26  -9.045   0.752   3.235
  172    HA   LYS  26           HA       LYS  26 -10.273   3.302   3.154
  173   1HB   LYS  26          HB2       LYS  26 -11.485   1.221   3.517
  174   2HB   LYS  26          HB1       LYS  26 -10.602   0.925   5.015
  175   1HG   LYS  26          HG2       LYS  26 -11.908   2.351   6.209
  176   2HG   LYS  26          HG1       LYS  26 -11.954   3.543   4.909
  177   1HD   LYS  26          HD2       LYS  26 -13.567   2.058   3.687
  178   2HD   LYS  26          HD1       LYS  26 -13.607   1.009   5.104
  179   1HE   LYS  26          HE2       LYS  26 -15.451   2.413   5.499
  180   2HE   LYS  26          HE1       LYS  26 -14.168   3.269   6.377
  181   1HZ   LYS  26          HZ1       LYS  26 -15.184   3.809   3.647
  182   2HZ   LYS  26          HZ2       LYS  26 -13.688   4.405   4.187
  183   3HZ   LYS  26          HZ3       LYS  26 -15.123   4.872   4.967
  184    H    MET  27           HN       MET  27  -8.436   1.723   5.782
  185    HA   MET  27           HA       MET  27  -8.671   3.786   7.731
  186   1HB   MET  27          HB2       MET  27  -6.815   1.527   7.087
  187   2HB   MET  27          HB1       MET  27  -6.286   2.699   8.294
  188   1HG   MET  27          HG2       MET  27  -7.894   2.075   9.805
  189   2HG   MET  27          HG1       MET  27  -9.078   1.711   8.550
  190   1HE   MET  27          HE1       MET  27  -6.577   0.323  11.067
  191   2HE   MET  27          HE2       MET  27  -5.542   0.754   9.708
  192   3HE   MET  27          HE3       MET  27  -5.713  -0.937  10.174
  193    H    LYS  28           HN       LYS  28  -6.618   3.448   4.895
  194    HA   LYS  28           HA       LYS  28  -4.944   5.774   5.625
  195   1HB   LYS  28          HB2       LYS  28  -5.112   3.827   3.311
  196   2HB   LYS  28          HB1       LYS  28  -3.994   5.190   3.308
  197   1HG   LYS  28          HG2       LYS  28  -3.981   3.547   5.772
  198   2HG   LYS  28          HG1       LYS  28  -3.372   2.746   4.324
  199   1HD   LYS  28          HD2       LYS  28  -1.417   3.808   4.708
  200   2HD   LYS  28          HD1       LYS  28  -2.237   5.287   4.205
  201   1HE   LYS  28          HE2       LYS  28  -1.589   5.979   6.313
  202   2HE   LYS  28          HE1       LYS  28  -3.082   5.143   6.786
  203   1HZ   LYS  28          HZ1       LYS  28  -0.845   4.462   7.883
  204   2HZ   LYS  28          HZ2       LYS  28  -0.599   3.604   6.438
  205   3HZ   LYS  28          HZ3       LYS  28  -1.946   3.261   7.414
  206    H    LYS  29           HN       LYS  29  -8.013   5.643   4.755
  207    HA   LYS  29           HA       LYS  29  -9.468   7.178   3.702
  208   1HB   LYS  29          HB2       LYS  29  -7.721   8.707   4.789
  209   2HB   LYS  29          HB1       LYS  29  -6.958   8.793   3.200
  210   1HG   LYS  29          HG2       LYS  29  -8.881   9.799   2.217
  211   2HG   LYS  29          HG1       LYS  29  -9.887   9.412   3.613
  212   1HD   LYS  29          HD2       LYS  29  -8.486  10.929   5.006
  213   2HD   LYS  29          HD1       LYS  29  -7.569  11.366   3.564
  214   1HE   LYS  29          HE2       LYS  29 -10.500  11.905   4.126
  215   2HE   LYS  29          HE1       LYS  29  -9.220  13.082   3.769
  216   1HZ   LYS  29          HZ1       LYS  29 -10.447  11.093   1.957
  217   2HZ   LYS  29          HZ2       LYS  29  -8.914  11.750   1.632
  218   3HZ   LYS  29          HZ3       LYS  29 -10.274  12.764   1.726
  219    H    ALA  30           HN       ALA  30  -8.856   5.077   2.107
  220    HA   ALA  30           HA       ALA  30  -8.216   6.328  -0.548
  221   1HB   ALA  30          HB1       ALA  30  -6.732   4.644  -0.899
  222   2HB   ALA  30          HB2       ALA  30  -7.838   3.429  -0.255
  223   3HB   ALA  30          HB3       ALA  30  -6.834   4.379   0.842
  224    H    SER  31           HN       SER  31  -9.305   5.206  -2.392
  225    HA   SER  31           HA       SER  31 -11.986   4.133  -1.580
  226   1HB   SER  31          HB2       SER  31 -12.360   4.967  -4.094
  227   2HB   SER  31          HB1       SER  31 -12.420   6.090  -2.739
  228    HG   SER  31           HG       SER  31 -10.408   5.661  -4.648
  229    H    GLY  32           HN       GLY  32  -9.204   3.698  -3.726
  230   1HA   GLY  32          HA2       GLY  32 -10.396   1.140  -4.700
  231   2HA   GLY  32          HA1       GLY  32  -9.103   2.020  -5.516
  232    H    GLY  33           HN       GLY  33  -9.823   0.180  -2.556
  233   1HA   GLY  33          HA2       GLY  33  -6.899  -0.287  -2.212
  234   2HA   GLY  33          HA1       GLY  33  -8.123  -0.568  -0.972
  235    H    HIS  34           HN       HIS  34  -6.133  -2.143  -3.088
  236    HA   HIS  34           HA       HIS  34  -7.718  -4.639  -2.843
  237   1HB   HIS  34          HB2       HIS  34  -7.661  -5.026  -5.249
  238   2HB   HIS  34          HB1       HIS  34  -8.387  -3.446  -4.954
  239    HD1  HIS  34           HD1      HIS  34  -7.520  -1.778  -6.576
  240    HD2  HIS  34           HD2      HIS  34  -4.566  -4.512  -5.486
  241    HE1  HIS  34           HE1      HIS  34  -5.412  -1.079  -7.794
  242    H    CYS  35           HN       CYS  35  -6.335  -6.521  -3.748
  243    HA   CYS  35           HA       CYS  35  -3.505  -6.078  -2.908
  244   1HB   CYS  35          HB2       CYS  35  -4.682  -7.791  -1.702
  245   2HB   CYS  35          HB1       CYS  35  -5.319  -8.489  -3.192
  246    H    TYR  36           HN       TYR  36  -1.868  -6.243  -4.415
  247    HA   TYR  36           HA       TYR  36  -2.252  -7.767  -6.910
  248   1HB   TYR  36          HB2       TYR  36  -3.274  -5.355  -7.012
  249   2HB   TYR  36          HB1       TYR  36  -1.593  -4.835  -7.129
  250    HD1  TYR  36           HD1      TYR  36  -0.124  -5.897  -8.951
  251    HD2  TYR  36           HD2      TYR  36  -4.409  -6.193  -8.903
  252    HE1  TYR  36           HE1      TYR  36  -0.111  -6.479 -11.361
  253    HE2  TYR  36           HE2      TYR  36  -4.395  -6.776 -11.313
  254    HH   TYR  36           HH       TYR  36  -1.488  -6.560 -13.238
  255    H    ALA  37           HN       ALA  37  -0.243  -8.230  -7.914
  256    HA   ALA  37           HA       ALA  37   2.095  -8.549  -8.002
  257   1HB   ALA  37          HB1       ALA  37   1.746  -5.723  -6.989
  258   2HB   ALA  37          HB2       ALA  37   2.155  -6.254  -8.620
  259   3HB   ALA  37          HB3       ALA  37   3.342  -6.395  -7.324
  260    H    MET  38           HN       MET  38   0.643  -9.409  -5.556
  261    HA   MET  38           HA       MET  38   1.255 -10.350  -3.471
  262   1HB   MET  38          HB2       MET  38   3.624 -10.029  -5.084
  263   2HB   MET  38          HB1       MET  38   4.027  -9.731  -3.394
  264   1HG   MET  38          HG2       MET  38   4.220 -12.016  -3.364
  265   2HG   MET  38          HG1       MET  38   2.481 -11.917  -3.086
  266   1HE   MET  38          HE1       MET  38   0.804 -12.695  -4.334
  267   2HE   MET  38          HE2       MET  38   1.671 -14.218  -4.157
  268   3HE   MET  38          HE3       MET  38   0.946 -13.800  -5.707
  269    H    SER  39           HN       SER  39   0.992  -7.219  -4.050
  270    HA   SER  39           HA       SER  39   1.746  -6.453  -1.260
  271   1HB   SER  39          HB2       SER  39   2.382  -4.946  -3.814
  272   2HB   SER  39          HB1       SER  39   2.705  -4.356  -2.187
  273    HG   SER  39           HG       SER  39   3.983  -6.292  -1.909
  274    H    CYS  40           HN       CYS  40   0.493  -4.629  -0.459
  275    HA   CYS  40           HA       CYS  40  -2.222  -4.527  -1.538
  276   1HB   CYS  40          HB2       CYS  40  -1.349  -4.458   0.911
  277   2HB   CYS  40          HB1       CYS  40  -1.042  -2.749   0.596
  278    H    TYR  41           HN       TYR  41  -3.276  -2.487  -2.147
  279    HA   TYR  41           HA       TYR  41  -1.543  -0.202  -2.872
  280   1HB   TYR  41          HB2       TYR  41  -1.353  -1.858  -4.719
  281   2HB   TYR  41          HB1       TYR  41  -3.107  -1.832  -4.903
  282    HD1  TYR  41           HD1      TYR  41  -4.245   0.064  -5.899
  283    HD2  TYR  41           HD2      TYR  41   0.006   0.117  -5.293
  284    HE1  TYR  41           HE1      TYR  41  -4.063   2.064  -7.356
  285    HE2  TYR  41           HE2      TYR  41   0.191   2.115  -6.750
  286    HH   TYR  41           HH       TYR  41  -1.827   3.037  -8.869
  287    H    CYS  42           HN       CYS  42  -2.734   1.597  -2.372
  288    HA   CYS  42           HA       CYS  42  -5.722   1.347  -2.390
  289   1HB   CYS  42          HB2       CYS  42  -3.945   3.275  -0.867
  290   2HB   CYS  42          HB1       CYS  42  -5.656   2.962  -0.589
  291    H    GLU  43           HN       GLU  43  -6.922   2.993  -3.412
  292    HA   GLU  43           HA       GLU  43  -5.332   4.906  -5.089
  293   1HB   GLU  43          HB2       GLU  43  -6.609   3.149  -6.280
  294   2HB   GLU  43          HB1       GLU  43  -8.087   3.687  -5.482
  295   1HG   GLU  43          HG2       GLU  43  -7.488   6.023  -6.476
  296   2HG   GLU  43          HG1       GLU  43  -6.448   5.108  -7.568
  297    H    GLY  44           HN       GLY  44  -5.503   6.985  -4.365
  298   1HA   GLY  44          HA2       GLY  44  -7.014   8.924  -4.028
  299   2HA   GLY  44          HA1       GLY  44  -8.096   7.844  -3.145
  300    H    LEU  45           HN       LEU  45  -4.937   7.047  -2.396
  301    HA   LEU  45           HA       LEU  45  -5.020   7.603   0.332
  302   1HB   LEU  45          HB2       LEU  45  -2.796   7.453  -1.709
  303   2HB   LEU  45          HB1       LEU  45  -2.449   7.634   0.010
  304    HG   LEU  45           HG       LEU  45  -4.222   5.446  -1.098
  305   1HD1  LEU  45          HD11      LEU  45  -2.013   4.123  -0.348
  306   2HD1  LEU  45          HD12      LEU  45  -1.258   5.646  -0.818
  307   3HD1  LEU  45          HD13      LEU  45  -2.217   4.738  -1.988
  308   1HD2  LEU  45          HD21      LEU  45  -2.741   5.141   1.444
  309   2HD2  LEU  45          HD22      LEU  45  -4.414   4.731   1.062
  310   3HD2  LEU  45          HD23      LEU  45  -3.982   6.394   1.458
  311    HA   PRO  46           HA       PRO  46  -4.432  11.912   0.868
  312   1HB   PRO  46          HB2       PRO  46  -2.585  12.040   2.890
  313   2HB   PRO  46          HB1       PRO  46  -4.275  11.559   3.145
  314   1HG   PRO  46          HG2       PRO  46  -1.840   9.864   2.908
  315   2HG   PRO  46          HG1       PRO  46  -3.245   9.682   3.971
  316   1HD   PRO  46          HD2       PRO  46  -2.883   8.219   1.704
  317   2HD   PRO  46          HD1       PRO  46  -4.484   8.610   2.365
  318    H    GLU  47           HN       GLU  47  -2.937  13.681   0.443
  319    HA   GLU  47           HA       GLU  47  -1.049  13.253  -1.616
  320   1HB   GLU  47          HB2       GLU  47  -2.160  15.376  -1.132
  321   2HB   GLU  47          HB1       GLU  47  -1.337  15.479   0.425
  322   1HG   GLU  47          HG2       GLU  47   0.727  15.080  -1.410
  323   2HG   GLU  47          HG1       GLU  47  -0.364  16.201  -2.225
  324    H    ASN  48           HN       ASN  48  -0.547  13.482   1.909
  325    HA   ASN  48           HA       ASN  48   2.370  13.016   1.486
  326   1HB   ASN  48          HB2       ASN  48   2.622  13.968   3.643
  327   2HB   ASN  48          HB1       ASN  48   1.306  14.893   2.921
  328   1HD2  ASN  48          HD21      ASN  48   2.140  13.415   5.767
  329   2HD2  ASN  48          HD22      ASN  48   0.595  13.025   6.353
  330    H    ALA  49           HN       ALA  49   0.125  10.924   1.306
  331    HA   ALA  49           HA       ALA  49   0.151   9.207   3.567
  332   1HB   ALA  49          HB1       ALA  49  -1.072   7.888   2.158
  333   2HB   ALA  49          HB2       ALA  49   0.145   7.964   0.883
  334   3HB   ALA  49          HB3       ALA  49  -1.002   9.288   1.088
  335    H    LYS  50           HN       LYS  50   1.383   7.230   3.893
  336    HA   LYS  50           HA       LYS  50   4.197   7.473   2.949
  337   1HB   LYS  50          HB2       LYS  50   3.529   7.319   5.388
  338   2HB   LYS  50          HB1       LYS  50   2.966   5.679   5.064
  339   1HG   LYS  50          HG2       LYS  50   5.106   5.133   5.660
  340   2HG   LYS  50          HG1       LYS  50   5.440   5.537   3.975
  341   1HD   LYS  50          HD2       LYS  50   5.714   7.977   4.877
  342   2HD   LYS  50          HD1       LYS  50   5.923   7.190   6.442
  343   1HE   LYS  50          HE2       LYS  50   7.975   6.335   5.878
  344   2HE   LYS  50          HE1       LYS  50   7.488   6.020   4.200
  345   1HZ   LYS  50          HZ1       LYS  50   8.962   7.844   4.111
  346   2HZ   LYS  50          HZ2       LYS  50   8.217   8.622   5.424
  347   3HZ   LYS  50          HZ3       LYS  50   7.411   8.506   3.933
  348    H    VAL  51           HN       VAL  51   4.035   6.529   0.842
  349    HA   VAL  51           HA       VAL  51   3.327   3.612   0.833
  350    HB   VAL  51           HB       VAL  51   2.522   4.081  -1.515
  351   1HG1  VAL  51          HG11      VAL  51   1.054   5.914   0.356
  352   2HG1  VAL  51          HG12      VAL  51   1.128   4.189   0.717
  353   3HG1  VAL  51          HG13      VAL  51   0.407   4.743  -0.794
  354   1HG2  VAL  51          HG21      VAL  51   2.318   6.316  -2.295
  355   2HG2  VAL  51          HG22      VAL  51   3.943   6.229  -1.616
  356   3HG2  VAL  51          HG23      VAL  51   2.643   6.988  -0.698
  357    H    SER  52           HN       SER  52   4.388   2.487  -1.097
  358    HA   SER  52           HA       SER  52   7.239   3.177  -1.180
  359   1HB   SER  52          HB2       SER  52   6.053   0.864  -1.065
  360   2HB   SER  52          HB1       SER  52   5.803   1.068  -2.796
  361    HG   SER  52           HG       SER  52   8.156   0.699  -1.337
  362    H    ASP  53           HN       ASP  53   8.387   3.591  -3.210
  363    HA   ASP  53           HA       ASP  53   6.649   4.934  -5.244
  364   1HB   ASP  53          HB2       ASP  53   8.541   6.350  -5.629
  365   2HB   ASP  53          HB1       ASP  53   8.446   6.154  -3.879
  366    H    SER  54           HN       SER  54   8.020   2.005  -4.826
  367    HA   SER  54           HA       SER  54   8.412   1.631  -7.753
  368   1HB   SER  54          HB2       SER  54  10.564   0.437  -7.230
  369   2HB   SER  54          HB1       SER  54  10.612   2.160  -6.862
  370    HG   SER  54           HG       SER  54  11.001   0.097  -5.228
  371    H    ALA  55           HN       ALA  55   7.959  -0.521  -8.419
  372    HA   ALA  55           HA       ALA  55   6.175  -2.071  -6.797
  373   1HB   ALA  55          HB1       ALA  55   7.651  -2.330  -9.385
  374   2HB   ALA  55          HB2       ALA  55   5.917  -2.413  -9.074
  375   3HB   ALA  55          HB3       ALA  55   6.947  -3.795  -8.701
  376    H    THR  56           HN       THR  56   9.622  -1.910  -6.926
  377    HA   THR  56           HA       THR  56  10.052  -4.610  -5.813
  378    HB   THR  56           HB       THR  56  12.244  -2.647  -5.777
  379    HG1  THR  56           HG1      THR  56  12.071  -1.955  -7.751
  380   1HG2  THR  56          HG21      THR  56  11.794  -5.430  -6.238
  381   2HG2  THR  56          HG22      THR  56  13.334  -4.587  -6.075
  382   3HG2  THR  56          HG23      THR  56  12.587  -4.760  -7.663
  383    H    ASN  57           HN       ASN  57  11.666  -4.557  -3.810
  384    HA   ASN  57           HA       ASN  57  10.249  -3.192  -1.630
  385   1HB   ASN  57          HB2       ASN  57  11.851  -4.508  -0.264
  386   2HB   ASN  57          HB1       ASN  57  11.072  -5.517  -1.484
  387   1HD2  ASN  57          HD21      ASN  57  14.134  -4.320  -0.361
  388   2HD2  ASN  57          HD22      ASN  57  15.085  -4.991  -1.597
  389    H    ILE  58           HN       ILE  58  10.747  -0.930  -1.997
  390    HA   ILE  58           HA       ILE  58  13.621  -0.158  -1.968
  391    HB   ILE  58           HB       ILE  58  11.977   0.776  -3.616
  392   1HG1  ILE  58          HG12      ILE  58  12.502   3.251  -2.980
  393   2HG1  ILE  58          HG11      ILE  58  13.401   2.546  -1.635
  394   1HG2  ILE  58          HG21      ILE  58  10.274   0.887  -1.472
  395   2HG2  ILE  58          HG22      ILE  58  10.037   1.780  -2.974
  396   3HG2  ILE  58          HG23      ILE  58  10.792   2.569  -1.590
  397   1HD1  ILE  58          HD11      ILE  58  14.150   1.043  -3.891
  398   2HD1  ILE  58          HD12      ILE  58  15.130   2.243  -3.048
  399   3HD1  ILE  58          HD13      ILE  58  14.146   2.721  -4.431
  400    H    CYS  59           HN       CYS  59  13.251  -1.166   0.439
  401    HA   CYS  59           HA       CYS  59  12.169   0.859   2.310
  402   1HB   CYS  59          HB2       CYS  59  12.604  -1.970   2.205
  403   2HB   CYS  59          HB1       CYS  59  13.476  -1.324   3.595
  404    H    GLY  60           HN       GLY  60  13.964   2.397   1.538
  405   1HA   GLY  60          HA2       GLY  60  16.584   1.766   2.816
  406   2HA   GLY  60          HA1       GLY  60  16.342   2.990   1.569
  Start of MODEL   10
    1   1H    LYS   1          HT1       LYS   1   2.828  10.683   5.546
    2   2H    LYS   1          HT2       LYS   1   1.743  11.031   4.287
    3   3H    LYS   1          HT3       LYS   1   2.611   9.571   4.285
    4    HA   LYS   1           HA       LYS   1   1.053   9.947   6.680
    5   1HB   LYS   1          HB2       LYS   1  -1.093   9.882   5.633
    6   2HB   LYS   1          HB1       LYS   1  -0.201  11.136   4.773
    7   1HG   LYS   1          HG2       LYS   1   0.349   8.621   3.510
    8   2HG   LYS   1          HG1       LYS   1  -1.397   8.783   3.691
    9   1HD   LYS   1          HD2       LYS   1  -1.336  10.972   2.603
   10   2HD   LYS   1          HD1       LYS   1   0.422  10.892   2.491
   11   1HE   LYS   1          HE2       LYS   1   0.379   9.299   0.795
   12   2HE   LYS   1          HE1       LYS   1  -1.189   8.649   1.307
   13   1HZ   LYS   1          HZ1       LYS   1  -1.990  11.046   0.777
   14   2HZ   LYS   1          HZ2       LYS   1  -1.797   9.930  -0.489
   15   3HZ   LYS   1          HZ3       LYS   1  -0.607  11.108  -0.202
   16    H    ASP   2           HN       ASP   2  -0.068   7.819   7.097
   17    HA   ASP   2           HA       ASP   2   1.490   5.582   5.865
   18   1HB   ASP   2          HB2       ASP   2  -0.259   5.515   8.333
   19   2HB   ASP   2          HB1       ASP   2   1.085   4.449   7.924
   20    H    GLY   3           HN       GLY   3   0.394   3.904   4.796
   21   1HA   GLY   3          HA2       GLY   3  -2.349   3.256   5.090
   22   2HA   GLY   3          HA1       GLY   3  -2.235   4.425   3.776
   23    H    TYR   4           HN       TYR   4  -3.109   2.459   2.597
   24    HA   TYR   4           HA       TYR   4  -0.974   0.492   1.879
   25   1HB   TYR   4          HB2       TYR   4  -3.972   0.563   1.395
   26   2HB   TYR   4          HB1       TYR   4  -2.908  -0.784   0.991
   27    HD1  TYR   4           HD1      TYR   4  -2.432  -2.442   2.583
   28    HD2  TYR   4           HD2      TYR   4  -4.023   1.337   3.868
   29    HE1  TYR   4           HE1      TYR   4  -2.675  -3.328   4.885
   30    HE2  TYR   4           HE2      TYR   4  -4.263   0.450   6.173
   31    HH   TYR   4           HH       TYR   4  -3.946  -1.280   7.517
   32    HA   PRO   5           HA       PRO   5  -0.616   2.708  -1.947
   33   1HB   PRO   5          HB2       PRO   5   0.986   0.915  -3.237
   34   2HB   PRO   5          HB1       PRO   5   1.589   2.016  -1.982
   35   1HG   PRO   5          HG2       PRO   5   0.928  -0.873  -1.803
   36   2HG   PRO   5          HG1       PRO   5   2.207   0.047  -0.998
   37   1HD   PRO   5          HD2       PRO   5  -0.143  -0.730   0.204
   38   2HD   PRO   5          HD1       PRO   5   0.857   0.636   0.741
   39    H    VAL   6           HN       VAL   6  -1.825   2.654  -3.824
   40    HA   VAL   6           HA       VAL   6  -3.140   0.057  -4.564
   41    HB   VAL   6           HB       VAL   6  -5.108   1.417  -5.123
   42   1HG1  VAL   6          HG11      VAL   6  -5.812   1.733  -2.933
   43   2HG1  VAL   6          HG12      VAL   6  -4.271   2.429  -2.430
   44   3HG1  VAL   6          HG13      VAL   6  -4.414   0.689  -2.679
   45   1HG2  VAL   6          HG21      VAL   6  -4.438   3.904  -3.928
   46   2HG2  VAL   6          HG22      VAL   6  -4.812   3.593  -5.623
   47   3HG2  VAL   6          HG23      VAL   6  -3.142   3.520  -5.061
   48    H    ASP   7           HN       ASP   7  -4.055   0.291  -6.896
   49    HA   ASP   7           HA       ASP   7  -1.827   1.298  -8.616
   50   1HB   ASP   7          HB2       ASP   7  -2.893  -0.248 -10.277
   51   2HB   ASP   7          HB1       ASP   7  -2.430  -1.065  -8.783
   52    H    SER   8           HN       SER   8  -3.021   1.702 -11.002
   53    HA   SER   8           HA       SER   8  -4.241   4.270 -10.801
   54   1HB   SER   8          HB2       SER   8  -4.382   4.082 -13.168
   55   2HB   SER   8          HB1       SER   8  -3.012   3.064 -12.733
   56    HG   SER   8           HG       SER   8  -4.965   2.295 -14.142
   57    H    LYS   9           HN       LYS   9  -5.591   1.161 -10.284
   58    HA   LYS   9           HA       LYS   9  -8.348   2.040 -10.982
   59   1HB   LYS   9          HB2       LYS   9  -7.245  -0.207 -11.588
   60   2HB   LYS   9          HB1       LYS   9  -7.434  -0.623  -9.883
   61   1HG   LYS   9          HG2       LYS   9  -9.711  -0.801 -10.038
   62   2HG   LYS   9          HG1       LYS   9  -9.833   0.492 -11.230
   63   1HD   LYS   9          HD2       LYS   9  -8.846  -2.325 -11.764
   64   2HD   LYS   9          HD1       LYS   9 -10.403  -1.663 -12.261
   65   1HE   LYS   9          HE2       LYS   9  -9.002   0.176 -13.460
   66   2HE   LYS   9          HE1       LYS   9  -7.654  -0.966 -13.291
   67   1HZ   LYS   9          HZ1       LYS   9  -9.068  -1.230 -15.352
   68   2HZ   LYS   9          HZ2       LYS   9 -10.307  -1.780 -14.328
   69   3HZ   LYS   9          HZ3       LYS   9  -8.839  -2.631 -14.424
   70    H    GLY  10           HN       GLY  10  -6.272   1.548  -8.214
   71   1HA   GLY  10          HA2       GLY  10  -6.879   2.582  -6.076
   72   2HA   GLY  10          HA1       GLY  10  -8.573   2.263  -6.453
   73    H    CYS  11           HN       CYS  11  -6.850  -0.402  -7.415
   74    HA   CYS  11           HA       CYS  11  -7.841  -2.012  -5.180
   75   1HB   CYS  11          HB2       CYS  11  -6.286  -2.482  -7.732
   76   2HB   CYS  11          HB1       CYS  11  -6.605  -3.791  -6.595
   77    H    LYS  12           HN       LYS  12  -6.574  -2.914  -3.533
   78    HA   LYS  12           HA       LYS  12  -4.059  -1.677  -2.851
   79   1HB   LYS  12          HB2       LYS  12  -5.410  -4.220  -1.879
   80   2HB   LYS  12          HB1       LYS  12  -4.121  -3.365  -1.032
   81   1HG   LYS  12          HG2       LYS  12  -5.673  -1.304  -1.135
   82   2HG   LYS  12          HG1       LYS  12  -6.951  -2.449  -1.544
   83   1HD   LYS  12          HD2       LYS  12  -5.202  -3.026   0.822
   84   2HD   LYS  12          HD1       LYS  12  -6.483  -1.825   0.984
   85   1HE   LYS  12          HE2       LYS  12  -8.011  -3.654  -0.101
   86   2HE   LYS  12          HE1       LYS  12  -6.730  -4.773   0.404
   87   1HZ   LYS  12          HZ1       LYS  12  -7.310  -2.850   2.431
   88   2HZ   LYS  12          HZ2       LYS  12  -7.302  -4.546   2.528
   89   3HZ   LYS  12          HZ3       LYS  12  -8.699  -3.729   2.013
   90    H    LEU  13           HN       LEU  13  -1.943  -2.511  -3.077
   91    HA   LEU  13           HA       LEU  13  -1.529  -4.431  -5.245
   92   1HB   LEU  13          HB2       LEU  13  -0.167  -2.372  -4.797
   93   2HB   LEU  13          HB1       LEU  13   0.428  -3.137  -3.323
   94    HG   LEU  13           HG       LEU  13   1.186  -5.080  -4.792
   95   1HD1  LEU  13          HD11      LEU  13  -0.180  -3.488  -6.740
   96   2HD1  LEU  13          HD12      LEU  13   0.614  -5.046  -6.967
   97   3HD1  LEU  13          HD13      LEU  13   1.527  -3.551  -7.179
   98   1HD2  LEU  13          HD21      LEU  13   3.202  -4.090  -4.598
   99   2HD2  LEU  13          HD22      LEU  13   2.381  -2.578  -4.211
  100   3HD2  LEU  13          HD23      LEU  13   2.804  -2.950  -5.882
  101    H    SER  14           HN       SER  14  -1.961  -6.558  -4.705
  102    HA   SER  14           HA       SER  14  -1.893  -7.820  -2.222
  103   1HB   SER  14          HB2       SER  14  -0.877  -9.084  -4.772
  104   2HB   SER  14          HB1       SER  14  -1.839  -9.830  -3.499
  105    HG   SER  14           HG       SER  14  -3.484  -8.232  -4.092
  106    H    CYS  15           HN       CYS  15  -0.254  -8.210  -0.779
  107    HA   CYS  15           HA       CYS  15   2.568  -8.000  -1.767
  108   1HB   CYS  15          HB2       CYS  15   3.040  -7.412   0.594
  109   2HB   CYS  15          HB1       CYS  15   1.808  -6.352  -0.092
  110    H    VAL  16           HN       VAL  16   4.045  -9.655  -1.197
  111    HA   VAL  16           HA       VAL  16   2.866 -12.066   0.144
  112    HB   VAL  16           HB       VAL  16   2.963 -12.309  -2.304
  113   1HG1  VAL  16          HG11      VAL  16   5.415 -10.885  -1.957
  114   2HG1  VAL  16          HG12      VAL  16   4.636 -11.358  -3.465
  115   3HG1  VAL  16          HG13      VAL  16   5.792 -12.442  -2.693
  116   1HG2  VAL  16          HG21      VAL  16   4.883 -13.885  -0.600
  117   2HG2  VAL  16          HG22      VAL  16   4.704 -14.255  -2.315
  118   3HG2  VAL  16          HG23      VAL  16   3.314 -14.375  -1.237
  119    H    ALA  17           HN       ALA  17   5.653  -9.984  -0.347
  120    HA   ALA  17           HA       ALA  17   7.091 -11.513   1.795
  121   1HB   ALA  17          HB1       ALA  17   8.396 -10.054  -0.510
  122   2HB   ALA  17          HB2       ALA  17   7.893 -11.739  -0.645
  123   3HB   ALA  17          HB3       ALA  17   9.108 -11.273   0.546
  124    H    ASN  18           HN       ASN  18   7.564 -10.212   3.534
  125    HA   ASN  18           HA       ASN  18   6.833  -7.481   3.736
  126   1HB   ASN  18          HB2       ASN  18   8.555  -9.427   5.213
  127   2HB   ASN  18          HB1       ASN  18   8.704  -7.723   5.645
  128   1HD2  ASN  18          HD21      ASN  18   7.423 -10.023   7.176
  129   2HD2  ASN  18          HD22      ASN  18   5.843  -9.496   7.502
  130    H    ASN  19           HN       ASN  19   9.737  -8.968   2.455
  131    HA   ASN  19           HA       ASN  19  11.422  -6.611   2.592
  132   1HB   ASN  19          HB2       ASN  19  12.949  -7.984   1.401
  133   2HB   ASN  19          HB1       ASN  19  11.996  -9.128   2.345
  134   1HD2  ASN  19          HD21      ASN  19  13.293  -8.889  -0.634
  135   2HD2  ASN  19          HD22      ASN  19  12.114  -9.689  -1.557
  136    H    TYR  20           HN       TYR  20   9.088  -7.876   0.272
  137    HA   TYR  20           HA       TYR  20   9.809  -6.284  -1.995
  138   1HB   TYR  20          HB2       TYR  20   8.328  -8.168  -2.195
  139   2HB   TYR  20          HB1       TYR  20   7.226  -7.507  -0.987
  140    HD1  TYR  20           HD1      TYR  20   5.822  -5.527  -1.507
  141    HD2  TYR  20           HD2      TYR  20   8.312  -7.383  -4.476
  142    HE1  TYR  20           HE1      TYR  20   4.585  -4.329  -3.292
  143    HE2  TYR  20           HE2      TYR  20   7.074  -6.186  -6.261
  144    HH   TYR  20           HH       TYR  20   5.385  -4.829  -6.733
  145    H    CYS  21           HN       CYS  21   7.397  -5.715   0.594
  146    HA   CYS  21           HA       CYS  21   6.681  -3.069  -0.348
  147   1HB   CYS  21          HB2       CYS  21   6.333  -4.637   2.219
  148   2HB   CYS  21          HB1       CYS  21   5.682  -3.010   2.023
  149    H    ASP  22           HN       ASP  22   8.865  -4.305   2.189
  150    HA   ASP  22           HA       ASP  22   9.650  -1.939   3.451
  151   1HB   ASP  22          HB2       ASP  22  10.349  -4.505   3.608
  152   2HB   ASP  22          HB1       ASP  22  11.714  -3.954   2.636
  153    H    ASN  23           HN       ASN  23  10.778  -3.245   0.334
  154    HA   ASN  23           HA       ASN  23  12.719  -1.110  -0.095
  155   1HB   ASN  23          HB2       ASN  23  12.667  -3.523  -1.007
  156   2HB   ASN  23          HB1       ASN  23  11.463  -2.937  -2.156
  157   1HD2  ASN  23          HD21      ASN  23  12.732  -2.938  -4.077
  158   2HD2  ASN  23          HD22      ASN  23  14.138  -2.005  -4.266
  159    H    GLN  24           HN       GLN  24   9.618  -1.944  -1.715
  160    HA   GLN  24           HA       GLN  24   9.346   0.363  -3.304
  161   1HB   GLN  24          HB2       GLN  24   7.935  -1.744  -3.235
  162   2HB   GLN  24          HB1       GLN  24   7.133  -1.079  -1.811
  163   1HG   GLN  24          HG2       GLN  24   5.925  -0.627  -3.984
  164   2HG   GLN  24          HG1       GLN  24   6.329   0.822  -3.062
  165   1HE2  GLN  24          HE21      GLN  24   8.185  -1.261  -5.367
  166   2HE2  GLN  24          HE22      GLN  24   8.718   0.032  -6.328
  167    H    CYS  25           HN       CYS  25   7.932  -0.145  -0.039
  168    HA   CYS  25           HA       CYS  25   6.898   2.432   0.396
  169   1HB   CYS  25          HB2       CYS  25   8.304   0.549   2.323
  170   2HB   CYS  25          HB1       CYS  25   7.198   1.840   2.789
  171    H    LYS  26           HN       LYS  26  10.138   1.244   1.380
  172    HA   LYS  26           HA       LYS  26  11.259   3.608   2.356
  173   1HB   LYS  26          HB2       LYS  26  12.214   1.243   2.186
  174   2HB   LYS  26          HB1       LYS  26  12.656   1.637   0.524
  175   1HG   LYS  26          HG2       LYS  26  14.573   2.073   1.948
  176   2HG   LYS  26          HG1       LYS  26  13.927   3.618   1.392
  177   1HD   LYS  26          HD2       LYS  26  13.897   4.203   3.581
  178   2HD   LYS  26          HD1       LYS  26  12.482   3.158   3.703
  179   1HE   LYS  26          HE2       LYS  26  14.949   1.605   3.815
  180   2HE   LYS  26          HE1       LYS  26  14.875   2.820   5.107
  181   1HZ   LYS  26          HZ1       LYS  26  12.583   2.103   5.553
  182   2HZ   LYS  26          HZ2       LYS  26  13.699   0.845   5.799
  183   3HZ   LYS  26          HZ3       LYS  26  12.742   0.876   4.395
  184    H    MET  27           HN       MET  27  11.002   2.549  -1.043
  185    HA   MET  27           HA       MET  27  12.401   4.789  -2.185
  186   1HB   MET  27          HB2       MET  27  10.332   2.818  -3.197
  187   2HB   MET  27          HB1       MET  27  11.149   3.973  -4.251
  188   1HG   MET  27          HG2       MET  27  13.128   2.838  -4.176
  189   2HG   MET  27          HG1       MET  27  12.928   2.405  -2.479
  190   1HE   MET  27          HE1       MET  27  12.797   1.853  -5.878
  191   2HE   MET  27          HE2       MET  27  11.759   0.493  -6.299
  192   3HE   MET  27          HE3       MET  27  13.383   0.194  -5.686
  193    H    LYS  28           HN       LYS  28   9.110   4.317  -1.069
  194    HA   LYS  28           HA       LYS  28   8.126   6.768  -2.398
  195   1HB   LYS  28          HB2       LYS  28   6.885   4.794  -0.450
  196   2HB   LYS  28          HB1       LYS  28   6.005   6.065  -1.300
  197   1HG   LYS  28          HG2       LYS  28   7.550   4.584  -3.211
  198   2HG   LYS  28          HG1       LYS  28   6.618   3.448  -2.236
  199   1HD   LYS  28          HD2       LYS  28   4.908   5.642  -2.806
  200   2HD   LYS  28          HD1       LYS  28   5.690   5.191  -4.322
  201   1HE   LYS  28          HE2       LYS  28   4.938   2.901  -4.117
  202   2HE   LYS  28          HE1       LYS  28   4.341   3.195  -2.471
  203   1HZ   LYS  28          HZ1       LYS  28   2.545   3.384  -4.088
  204   2HZ   LYS  28          HZ2       LYS  28   3.404   4.586  -4.927
  205   3HZ   LYS  28          HZ3       LYS  28   2.847   4.880  -3.349
  206    H    LYS  29           HN       LYS  29  10.272   6.719  -0.194
  207    HA   LYS  29           HA       LYS  29  10.856   8.193   1.562
  208   1HB   LYS  29          HB2       LYS  29   9.325   9.606  -0.074
  209   2HB   LYS  29          HB1       LYS  29   8.175   9.505   1.259
  210   1HG   LYS  29          HG2       LYS  29  10.756  10.132   2.335
  211   2HG   LYS  29          HG1       LYS  29  10.409  11.251   1.015
  212   1HD   LYS  29          HD2       LYS  29   8.263  10.652   3.024
  213   2HD   LYS  29          HD1       LYS  29   9.545  11.787   3.446
  214   1HE   LYS  29          HE2       LYS  29   8.736  13.394   2.045
  215   2HE   LYS  29          HE1       LYS  29   8.391  12.219   0.759
  216   1HZ   LYS  29          HZ1       LYS  29   6.276  12.683   1.450
  217   2HZ   LYS  29          HZ2       LYS  29   6.737  13.001   3.054
  218   3HZ   LYS  29          HZ3       LYS  29   6.634  11.398   2.498
  219    H    ALA  30           HN       ALA  30   8.913   5.750   1.844
  220    HA   ALA  30           HA       ALA  30   7.410   6.474   4.281
  221   1HB   ALA  30          HB1       ALA  30   6.744   4.041   4.081
  222   2HB   ALA  30          HB2       ALA  30   7.796   3.934   2.669
  223   3HB   ALA  30          HB3       ALA  30   6.394   5.003   2.645
  224    H    SER  31           HN       SER  31   7.702   5.038   6.246
  225    HA   SER  31           HA       SER  31  10.603   4.381   6.643
  226   1HB   SER  31          HB2       SER  31  10.079   4.981   9.034
  227   2HB   SER  31          HB1       SER  31   9.874   6.321   7.911
  228    HG   SER  31           HG       SER  31   7.709   4.618   8.442
  229    H    GLY  32           HN       GLY  32   7.279   3.309   7.023
  230   1HA   GLY  32          HA2       GLY  32   8.316   0.707   8.086
  231   2HA   GLY  32          HA1       GLY  32   6.759   1.375   8.577
  232    H    GLY  33           HN       GLY  33   8.520  -0.118   5.915
  233   1HA   GLY  33          HA2       GLY  33   5.951  -0.389   4.420
  234   2HA   GLY  33          HA1       GLY  33   7.552  -0.561   3.703
  235    H    HIS  34           HN       HIS  34   4.928  -2.284   4.801
  236    HA   HIS  34           HA       HIS  34   6.486  -4.809   4.764
  237   1HB   HIS  34          HB2       HIS  34   5.443  -5.471   6.939
  238   2HB   HIS  34          HB1       HIS  34   6.503  -4.070   7.098
  239    HD1  HIS  34           HD1      HIS  34   5.280  -1.684   7.173
  240    HD2  HIS  34           HD2      HIS  34   2.779  -4.986   7.634
  241    HE1  HIS  34           HE1      HIS  34   3.095  -0.804   8.104
  242    H    CYS  35           HN       CYS  35   4.818  -6.712   4.982
  243    HA   CYS  35           HA       CYS  35   2.446  -6.015   3.300
  244   1HB   CYS  35          HB2       CYS  35   3.887  -7.610   2.270
  245   2HB   CYS  35          HB1       CYS  35   4.106  -8.498   3.776
  246    H    TYR  36           HN       TYR  36   0.429  -6.197   4.201
  247    HA   TYR  36           HA       TYR  36   0.030  -8.005   6.536
  248   1HB   TYR  36          HB2       TYR  36   0.618  -5.422   6.950
  249   2HB   TYR  36          HB1       TYR  36  -1.110  -5.241   6.646
  250    HD1  TYR  36           HD1      TYR  36   1.026  -7.777   8.416
  251    HD2  TYR  36           HD2      TYR  36  -2.357  -5.137   8.606
  252    HE1  TYR  36           HE1      TYR  36   0.544  -8.563  10.718
  253    HE2  TYR  36           HE2      TYR  36  -2.840  -5.922  10.910
  254    HH   TYR  36           HH       TYR  36  -0.694  -7.508  12.797
  255    H    ALA  37           HN       ALA  37  -2.033  -8.925   6.523
  256    HA   ALA  37           HA       ALA  37  -4.167  -9.497   5.682
  257   1HB   ALA  37          HB1       ALA  37  -5.557  -7.530   5.130
  258   2HB   ALA  37          HB2       ALA  37  -4.107  -6.532   5.025
  259   3HB   ALA  37          HB3       ALA  37  -4.591  -7.224   6.573
  260    H    MET  38           HN       MET  38  -1.888  -9.850   3.918
  261    HA   MET  38           HA       MET  38  -1.471 -10.358   1.651
  262   1HB   MET  38          HB2       MET  38  -4.414 -10.348   2.057
  263   2HB   MET  38          HB1       MET  38  -3.870 -10.286   0.380
  264   1HG   MET  38          HG2       MET  38  -2.361 -12.224   1.966
  265   2HG   MET  38          HG1       MET  38  -4.087 -12.584   1.929
  266   1HE   MET  38          HE1       MET  38  -5.230 -13.430   0.599
  267   2HE   MET  38          HE2       MET  38  -4.557 -14.591  -0.542
  268   3HE   MET  38          HE3       MET  38  -5.307 -13.113  -1.140
  269    H    SER  39           HN       SER  39  -1.904  -7.414   2.705
  270    HA   SER  39           HA       SER  39  -1.937  -6.188  -0.033
  271   1HB   SER  39          HB2       SER  39  -3.252  -5.268   2.539
  272   2HB   SER  39          HB1       SER  39  -3.123  -4.263   1.099
  273    HG   SER  39           HG       SER  39  -5.107  -5.418   1.200
  274    H    CYS  40           HN       CYS  40  -0.284  -4.702  -0.378
  275    HA   CYS  40           HA       CYS  40   1.924  -4.584   1.482
  276   1HB   CYS  40          HB2       CYS  40   1.919  -4.390  -1.064
  277   2HB   CYS  40          HB1       CYS  40   1.321  -2.744  -0.851
  278    H    TYR  41           HN       TYR  41   2.711  -2.615   2.557
  279    HA   TYR  41           HA       TYR  41   0.875  -0.324   2.815
  280   1HB   TYR  41          HB2       TYR  41  -0.049  -2.083   4.305
  281   2HB   TYR  41          HB1       TYR  41   1.506  -2.182   5.132
  282    HD1  TYR  41           HD1      TYR  41   2.388  -0.177   6.371
  283    HD2  TYR  41           HD2      TYR  41  -1.601  -0.334   4.791
  284    HE1  TYR  41           HE1      TYR  41   1.735   1.717   7.833
  285    HE2  TYR  41           HE2      TYR  41  -2.256   1.561   6.252
  286    HH   TYR  41           HH       TYR  41  -1.455   2.558   8.433
  287    H    CYS  42           HN       CYS  42   2.021   1.507   3.443
  288    HA   CYS  42           HA       CYS  42   4.826   1.102   4.426
  289   1HB   CYS  42          HB2       CYS  42   3.889   3.278   2.539
  290   2HB   CYS  42          HB1       CYS  42   5.549   2.798   2.892
  291    H    GLU  43           HN       GLU  43   5.484   2.563   6.035
  292    HA   GLU  43           HA       GLU  43   3.328   4.287   7.179
  293   1HB   GLU  43          HB2       GLU  43   4.703   2.361   8.358
  294   2HB   GLU  43          HB1       GLU  43   5.934   3.615   8.514
  295   1HG   GLU  43          HG2       GLU  43   3.111   4.254   9.296
  296   2HG   GLU  43          HG1       GLU  43   4.110   3.307  10.400
  297    H    GLY  44           HN       GLY  44   3.564   6.275   6.095
  298   1HA   GLY  44          HA2       GLY  44   4.776   8.438   6.543
  299   2HA   GLY  44          HA1       GLY  44   6.270   7.539   6.282
  300    H    LEU  45           HN       LEU  45   3.558   6.774   4.255
  301    HA   LEU  45           HA       LEU  45   4.910   7.192   1.814
  302   1HB   LEU  45          HB2       LEU  45   2.075   6.972   2.742
  303   2HB   LEU  45          HB1       LEU  45   2.354   7.485   1.078
  304    HG   LEU  45           HG       LEU  45   3.853   5.111   2.129
  305   1HD1  LEU  45          HD11      LEU  45   0.952   5.165   1.260
  306   2HD1  LEU  45          HD12      LEU  45   1.607   4.549   2.777
  307   3HD1  LEU  45          HD13      LEU  45   1.929   3.697   1.267
  308   1HD2  LEU  45          HD21      LEU  45   4.404   5.975  -0.087
  309   2HD2  LEU  45          HD22      LEU  45   2.706   5.931  -0.559
  310   3HD2  LEU  45          HD23      LEU  45   3.578   4.427  -0.264
  311    HA   PRO  46           HA       PRO  46   4.768  11.511   1.096
  312   1HB   PRO  46          HB2       PRO  46   4.149  11.661  -1.560
  313   2HB   PRO  46          HB1       PRO  46   5.727  11.114  -0.967
  314   1HG   PRO  46          HG2       PRO  46   3.431   9.521  -1.974
  315   2HG   PRO  46          HG1       PRO  46   5.168   9.254  -2.181
  316   1HD   PRO  46          HD2       PRO  46   3.608   7.884  -0.392
  317   2HD   PRO  46          HD1       PRO  46   5.359   8.125  -0.210
  318    H    GLU  47           HN       GLU  47   3.287  13.241   1.110
  319    HA   GLU  47           HA       GLU  47   0.550  12.755   1.673
  320   1HB   GLU  47          HB2       GLU  47   1.804  14.758   2.327
  321   2HB   GLU  47          HB1       GLU  47   2.008  15.208   0.634
  322   1HG   GLU  47          HG2       GLU  47   0.136  16.451   0.983
  323   2HG   GLU  47          HG1       GLU  47  -0.702  14.915   0.764
  324    H    ASN  48           HN       ASN  48   2.208  12.905  -1.364
  325    HA   ASN  48           HA       ASN  48  -0.334  13.376  -2.856
  326   1HB   ASN  48          HB2       ASN  48   1.153  13.835  -4.716
  327   2HB   ASN  48          HB1       ASN  48   1.788  14.674  -3.298
  328   1HD2  ASN  48          HD21      ASN  48   3.758  14.311  -5.041
  329   2HD2  ASN  48          HD22      ASN  48   4.729  12.965  -4.685
  330    H    ALA  49           HN       ALA  49   0.745  10.753  -1.467
  331    HA   ALA  49           HA       ALA  49   1.040   8.947  -3.777
  332   1HB   ALA  49          HB1       ALA  49   1.853   9.007  -1.121
  333   2HB   ALA  49          HB2       ALA  49   1.975   7.613  -2.196
  334   3HB   ALA  49          HB3       ALA  49   0.584   7.783  -1.126
  335    H    LYS  50           HN       LYS  50  -0.462   7.156  -4.133
  336    HA   LYS  50           HA       LYS  50  -3.276   7.882  -3.435
  337   1HB   LYS  50          HB2       LYS  50  -2.293   7.568  -5.829
  338   2HB   LYS  50          HB1       LYS  50  -2.365   5.843  -5.463
  339   1HG   LYS  50          HG2       LYS  50  -4.470   6.126  -6.375
  340   2HG   LYS  50          HG1       LYS  50  -4.832   6.477  -4.685
  341   1HD   LYS  50          HD2       LYS  50  -5.258   8.662  -5.112
  342   2HD   LYS  50          HD1       LYS  50  -3.864   8.812  -6.182
  343   1HE   LYS  50          HE2       LYS  50  -5.731   7.120  -7.508
  344   2HE   LYS  50          HE1       LYS  50  -6.625   8.536  -6.918
  345   1HZ   LYS  50          HZ1       LYS  50  -4.886   9.960  -7.816
  346   2HZ   LYS  50          HZ2       LYS  50  -5.575   9.013  -9.047
  347   3HZ   LYS  50          HZ3       LYS  50  -4.053   8.607  -8.409
  348    H    VAL  51           HN       VAL  51  -3.770   6.829  -1.510
  349    HA   VAL  51           HA       VAL  51  -3.322   3.869  -1.457
  350    HB   VAL  51           HB       VAL  51  -2.822   4.196   0.992
  351   1HG1  VAL  51          HG11      VAL  51  -0.742   5.894  -0.004
  352   2HG1  VAL  51          HG12      VAL  51  -1.186   4.756  -1.276
  353   3HG1  VAL  51          HG13      VAL  51  -0.681   4.159   0.305
  354   1HG2  VAL  51          HG21      VAL  51  -2.853   7.114   0.155
  355   2HG2  VAL  51          HG22      VAL  51  -2.259   6.517   1.704
  356   3HG2  VAL  51          HG23      VAL  51  -3.964   6.344   1.288
  357    H    SER  52           HN       SER  52  -4.775   2.822   0.225
  358    HA   SER  52           HA       SER  52  -7.504   3.919  -0.019
  359   1HB   SER  52          HB2       SER  52  -7.185   1.582  -0.459
  360   2HB   SER  52          HB1       SER  52  -6.256   1.363   1.021
  361    HG   SER  52           HG       SER  52  -8.163   0.783   1.745
  362    H    ASP  53           HN       ASP  53  -8.439   5.099   1.615
  363    HA   ASP  53           HA       ASP  53  -7.018   5.348   4.203
  364   1HB   ASP  53          HB2       ASP  53  -8.626   7.220   4.491
  365   2HB   ASP  53          HB1       ASP  53  -7.782   7.328   2.945
  366    H    SER  54           HN       SER  54  -8.655   2.887   3.391
  367    HA   SER  54           HA       SER  54 -10.139   2.665   5.936
  368   1HB   SER  54          HB2       SER  54 -12.265   2.318   4.895
  369   2HB   SER  54          HB1       SER  54 -11.595   3.754   4.128
  370    HG   SER  54           HG       SER  54 -12.457   1.708   2.885
  371    H    ALA  55           HN       ALA  55 -10.343   0.488   6.574
  372    HA   ALA  55           HA       ALA  55  -8.750  -1.459   5.029
  373   1HB   ALA  55          HB1       ALA  55 -10.225  -2.201   7.506
  374   2HB   ALA  55          HB2       ALA  55  -9.035  -0.909   7.666
  375   3HB   ALA  55          HB3       ALA  55  -8.540  -2.494   7.073
  376    H    THR  56           HN       THR  56 -11.699  -0.433   4.444
  377    HA   THR  56           HA       THR  56 -12.760  -3.171   3.852
  378    HB   THR  56           HB       THR  56 -15.028  -1.908   4.396
  379    HG1  THR  56           HG1      THR  56 -14.796  -0.143   5.526
  380   1HG2  THR  56          HG21      THR  56 -13.044  -3.301   6.092
  381   2HG2  THR  56          HG22      THR  56 -14.745  -3.672   5.811
  382   3HG2  THR  56          HG23      THR  56 -14.295  -2.416   6.964
  383    H    ASN  57           HN       ASN  57 -11.772  -2.483   1.678
  384    HA   ASN  57           HA       ASN  57 -13.655  -0.670   0.200
  385   1HB   ASN  57          HB2       ASN  57 -11.621  -0.367  -1.304
  386   2HB   ASN  57          HB1       ASN  57 -11.445   0.277   0.328
  387   1HD2  ASN  57          HD21      ASN  57  -9.073  -0.009   0.160
  388   2HD2  ASN  57          HD22      ASN  57  -8.384  -1.553   0.306
  389    H    ILE  58           HN       ILE  58 -13.588  -1.286  -2.273
  390    HA   ILE  58           HA       ILE  58 -13.598  -4.278  -2.523
  391    HB   ILE  58           HB       ILE  58 -15.567  -2.157  -3.395
  392   1HG1  ILE  58          HG12      ILE  58 -16.374  -4.732  -2.157
  393   2HG1  ILE  58          HG11      ILE  58 -15.457  -3.638  -1.121
  394   1HG2  ILE  58          HG21      ILE  58 -15.679  -3.396  -5.323
  395   2HG2  ILE  58          HG22      ILE  58 -16.685  -4.434  -4.312
  396   3HG2  ILE  58          HG23      ILE  58 -14.985  -4.829  -4.565
  397   1HD1  ILE  58          HD11      ILE  58 -17.740  -2.560  -2.748
  398   2HD1  ILE  58          HD12      ILE  58 -17.076  -1.960  -1.228
  399   3HD1  ILE  58          HD13      ILE  58 -18.075  -3.414  -1.241
  400    H    CYS  59           HN       CYS  59 -11.893  -4.711  -3.895
  401    HA   CYS  59           HA       CYS  59 -11.050  -2.835  -5.975
  402   1HB   CYS  59          HB2       CYS  59  -9.398  -4.154  -4.846
  403   2HB   CYS  59          HB1       CYS  59 -10.296  -5.643  -5.140
  404    H    GLY  60           HN       GLY  60 -12.459  -2.648  -7.686
  405   1HA   GLY  60          HA2       GLY  60 -13.949  -3.287  -9.404
  406   2HA   GLY  60          HA1       GLY  60 -12.713  -4.508  -9.719
  Start of MODEL   11
    1   1H    LYS   1          HT1       LYS   1  -2.806  11.896  -1.875
    2   2H    LYS   1          HT2       LYS   1  -2.977  10.304  -1.306
    3   3H    LYS   1          HT3       LYS   1  -4.052  10.913  -2.473
    4    HA   LYS   1           HA       LYS   1  -2.417  10.907  -4.158
    5   1HB   LYS   1          HB2       LYS   1  -0.123  10.949  -3.653
    6   2HB   LYS   1          HB1       LYS   1  -0.815  11.834  -2.295
    7   1HG   LYS   1          HG2       LYS   1  -0.958   9.439  -1.195
    8   2HG   LYS   1          HG1       LYS   1   0.295   9.046  -2.372
    9   1HD   LYS   1          HD2       LYS   1   1.738  10.783  -1.523
   10   2HD   LYS   1          HD1       LYS   1   0.458  11.403  -0.478
   11   1HE   LYS   1          HE2       LYS   1   0.465   8.935   0.485
   12   2HE   LYS   1          HE1       LYS   1   2.118   8.922  -0.161
   13   1HZ   LYS   1          HZ1       LYS   1   2.798  10.426   1.330
   14   2HZ   LYS   1          HZ2       LYS   1   1.396  10.025   2.202
   15   3HZ   LYS   1          HZ3       LYS   1   1.400  11.375   1.170
   16    H    ASP   2           HN       ASP   2  -1.030   8.908  -4.900
   17    HA   ASP   2           HA       ASP   2  -2.365   6.435  -3.844
   18   1HB   ASP   2          HB2       ASP   2  -1.079   6.772  -6.556
   19   2HB   ASP   2          HB1       ASP   2  -2.359   5.657  -6.080
   20    H    GLY   3           HN       GLY   3  -1.005   4.527  -3.626
   21   1HA   GLY   3          HA2       GLY   3   1.654   4.188  -4.337
   22   2HA   GLY   3          HA1       GLY   3   1.736   5.147  -2.862
   23    H    TYR   4           HN       TYR   4   2.880   3.129  -2.123
   24    HA   TYR   4           HA       TYR   4   0.978   0.956  -1.334
   25   1HB   TYR   4          HB2       TYR   4   4.001   1.110  -1.569
   26   2HB   TYR   4          HB1       TYR   4   3.123  -0.317  -1.023
   27    HD1  TYR   4           HD1      TYR   4   1.483  -1.436  -2.577
   28    HD2  TYR   4           HD2      TYR   4   4.168   1.651  -3.887
   29    HE1  TYR   4           HE1      TYR   4   1.127  -2.126  -4.932
   30    HE2  TYR   4           HE2      TYR   4   3.810   0.962  -6.243
   31    HH   TYR   4           HH       TYR   4   1.450  -0.587  -7.369
   32    HA   PRO   5           HA       PRO   5   1.417   2.692   2.752
   33   1HB   PRO   5          HB2       PRO   5  -0.092   0.812   4.043
   34   2HB   PRO   5          HB1       PRO   5  -0.802   2.135   3.096
   35   1HG   PRO   5          HG2       PRO   5  -0.413  -0.720   2.359
   36   2HG   PRO   5          HG1       PRO   5  -1.751   0.374   1.978
   37   1HD   PRO   5          HD2       PRO   5   0.228  -0.283   0.208
   38   2HD   PRO   5          HD1       PRO   5  -0.697   1.233   0.143
   39    H    VAL   6           HN       VAL   6   2.889   2.258   4.396
   40    HA   VAL   6           HA       VAL   6   4.346  -0.352   4.249
   41    HB   VAL   6           HB       VAL   6   6.181   0.902   5.214
   42   1HG1  VAL   6          HG11      VAL   6   6.616   1.788   3.197
   43   2HG1  VAL   6          HG12      VAL   6   5.447   3.078   3.477
   44   3HG1  VAL   6          HG13      VAL   6   4.922   1.551   2.767
   45   1HG2  VAL   6          HG21      VAL   6   3.990   2.603   6.103
   46   2HG2  VAL   6          HG22      VAL   6   5.276   3.548   5.351
   47   3HG2  VAL   6          HG23      VAL   6   5.639   2.496   6.720
   48    H    ASP   7           HN       ASP   7   5.408  -0.761   6.546
   49    HA   ASP   7           HA       ASP   7   3.153  -0.797   8.521
   50   1HB   ASP   7          HB2       ASP   7   4.249  -2.830   9.350
   51   2HB   ASP   7          HB1       ASP   7   4.019  -2.954   7.605
   52    H    SER   8           HN       SER   8   4.610  -1.412  10.806
   53    HA   SER   8           HA       SER   8   5.598   1.163  11.637
   54   1HB   SER   8          HB2       SER   8   6.091  -0.071  13.714
   55   2HB   SER   8          HB1       SER   8   4.514  -0.536  13.081
   56    HG   SER   8           HG       SER   8   5.492  -2.373  12.179
   57    H    LYS   9           HN       LYS   9   7.083  -1.191   9.736
   58    HA   LYS   9           HA       LYS   9   9.817  -0.403  10.679
   59   1HB   LYS   9          HB2       LYS   9   9.089  -2.821  10.754
   60   2HB   LYS   9          HB1       LYS   9   8.956  -2.774   8.996
   61   1HG   LYS   9          HG2       LYS   9  11.133  -3.533   9.196
   62   2HG   LYS   9          HG1       LYS   9  11.423  -1.794   9.190
   63   1HD   LYS   9          HD2       LYS   9  10.795  -2.715  11.866
   64   2HD   LYS   9          HD1       LYS   9  12.164  -3.609  11.203
   65   1HE   LYS   9          HE2       LYS   9  11.938  -0.576  11.219
   66   2HE   LYS   9          HE1       LYS   9  12.913  -1.529  12.355
   67   1HZ   LYS   9          HZ1       LYS   9  13.713  -0.696   9.877
   68   2HZ   LYS   9          HZ2       LYS   9  13.310  -2.328   9.634
   69   3HZ   LYS   9          HZ3       LYS   9  14.459  -1.899  10.810
   70    H    GLY  10           HN       GLY  10   7.548  -0.089   8.114
   71   1HA   GLY  10          HA2       GLY  10   7.957   1.538   6.338
   72   2HA   GLY  10          HA1       GLY  10   9.673   1.137   6.420
   73    H    CYS  11           HN       CYS  11   8.065  -1.737   6.679
   74    HA   CYS  11           HA       CYS  11   8.740  -2.507   3.937
   75   1HB   CYS  11          HB2       CYS  11   7.261  -4.025   6.106
   76   2HB   CYS  11          HB1       CYS  11   8.136  -4.714   4.741
   77    H    LYS  12           HN       LYS  12   7.197  -3.265   2.367
   78    HA   LYS  12           HA       LYS  12   4.666  -1.808   2.362
   79   1HB   LYS  12          HB2       LYS  12   5.570  -3.982   0.464
   80   2HB   LYS  12          HB1       LYS  12   4.560  -2.580   0.110
   81   1HG   LYS  12          HG2       LYS  12   6.675  -1.224   0.906
   82   2HG   LYS  12          HG1       LYS  12   7.529  -2.717   0.519
   83   1HD   LYS  12          HD2       LYS  12   5.793  -1.082  -1.351
   84   2HD   LYS  12          HD1       LYS  12   7.540  -1.304  -1.451
   85   1HE   LYS  12          HE2       LYS  12   7.350  -3.531  -2.170
   86   2HE   LYS  12          HE1       LYS  12   5.713  -3.704  -1.509
   87   1HZ   LYS  12          HZ1       LYS  12   6.424  -2.886  -4.080
   88   2HZ   LYS  12          HZ2       LYS  12   5.768  -1.528  -3.298
   89   3HZ   LYS  12          HZ3       LYS  12   4.869  -2.966  -3.411
   90    H    LEU  13           HN       LEU  13   2.580  -2.704   2.552
   91    HA   LEU  13           HA       LEU  13   2.362  -5.207   4.059
   92   1HB   LEU  13          HB2       LEU  13   0.921  -3.391   4.641
   93   2HB   LEU  13          HB1       LEU  13   0.449  -3.136   2.961
   94    HG   LEU  13           HG       LEU  13  -0.572  -5.441   2.981
   95   1HD1  LEU  13          HD11      LEU  13  -0.917  -5.590   5.839
   96   2HD1  LEU  13          HD12      LEU  13   0.805  -5.571   5.455
   97   3HD1  LEU  13          HD13      LEU  13  -0.244  -6.799   4.746
   98   1HD2  LEU  13          HD21      LEU  13  -2.538  -4.451   3.518
   99   2HD2  LEU  13          HD22      LEU  13  -1.580  -3.017   3.891
  100   3HD2  LEU  13          HD23      LEU  13  -2.018  -4.144   5.175
  101    H    SER  14           HN       SER  14   2.622  -7.087   2.868
  102    HA   SER  14           HA       SER  14   2.169  -7.411   0.085
  103   1HB   SER  14          HB2       SER  14   2.087  -9.343   2.419
  104   2HB   SER  14          HB1       SER  14   2.129  -9.850   0.733
  105    HG   SER  14           HG       SER  14   4.028  -8.118   1.938
  106    H    CYS  15           HN       CYS  15   0.412  -8.683  -0.952
  107    HA   CYS  15           HA       CYS  15  -2.170  -8.744   0.525
  108   1HB   CYS  15          HB2       CYS  15  -3.223  -7.460  -1.331
  109   2HB   CYS  15          HB1       CYS  15  -1.981  -6.520  -0.504
  110    H    VAL  16           HN       VAL  16  -3.557 -10.349  -0.251
  111    HA   VAL  16           HA       VAL  16  -2.543 -11.984  -2.556
  112    HB   VAL  16           HB       VAL  16  -2.322 -13.154  -0.454
  113   1HG1  VAL  16          HG11      VAL  16  -4.369 -13.463   1.001
  114   2HG1  VAL  16          HG12      VAL  16  -5.173 -12.242   0.013
  115   3HG1  VAL  16          HG13      VAL  16  -3.745 -11.814   0.956
  116   1HG2  VAL  16          HG21      VAL  16  -4.775 -13.972  -2.030
  117   2HG2  VAL  16          HG22      VAL  16  -4.101 -14.965  -0.737
  118   3HG2  VAL  16          HG23      VAL  16  -3.137 -14.612  -2.171
  119    H    ALA  17           HN       ALA  17  -5.261 -10.375  -1.058
  120    HA   ALA  17           HA       ALA  17  -7.001 -11.226  -3.351
  121   1HB   ALA  17          HB1       ALA  17  -8.393 -10.259  -0.994
  122   2HB   ALA  17          HB2       ALA  17  -7.284 -11.562  -0.571
  123   3HB   ALA  17          HB3       ALA  17  -8.528 -11.825  -1.794
  124    H    ASN  18           HN       ASN  18  -8.794  -9.519  -3.723
  125    HA   ASN  18           HA       ASN  18  -7.509  -6.861  -3.913
  126   1HB   ASN  18          HB2       ASN  18  -9.805  -8.342  -5.122
  127   2HB   ASN  18          HB1       ASN  18  -9.879  -6.579  -5.131
  128   1HD2  ASN  18          HD21      ASN  18  -9.566  -8.120  -7.554
  129   2HD2  ASN  18          HD22      ASN  18  -8.032  -7.777  -8.195
  130    H    ASN  19           HN       ASN  19 -10.333  -8.379  -2.357
  131    HA   ASN  19           HA       ASN  19 -11.515  -5.958  -1.365
  132   1HB   ASN  19          HB2       ASN  19 -12.547  -7.641   0.287
  133   2HB   ASN  19          HB1       ASN  19 -12.819  -7.946  -1.427
  134   1HD2  ASN  19          HD21      ASN  19 -13.135 -10.263  -0.508
  135   2HD2  ASN  19          HD22      ASN  19 -11.747 -11.230  -0.371
  136    H    TYR  20           HN       TYR  20  -9.225  -8.264   0.154
  137    HA   TYR  20           HA       TYR  20  -9.001  -7.232   2.720
  138   1HB   TYR  20          HB2       TYR  20  -7.707  -9.129   2.016
  139   2HB   TYR  20          HB1       TYR  20  -6.911  -8.195   0.748
  140    HD1  TYR  20           HD1      TYR  20  -7.578  -6.815   4.099
  141    HD2  TYR  20           HD2      TYR  20  -4.644  -8.633   1.542
  142    HE1  TYR  20           HE1      TYR  20  -5.788  -6.166   5.690
  143    HE2  TYR  20           HE2      TYR  20  -2.855  -7.984   3.133
  144    HH   TYR  20           HH       TYR  20  -3.628  -6.272   6.167
  145    H    CYS  21           HN       CYS  21  -7.456  -5.961  -0.234
  146    HA   CYS  21           HA       CYS  21  -6.173  -3.735   1.141
  147   1HB   CYS  21          HB2       CYS  21  -6.636  -4.658  -1.685
  148   2HB   CYS  21          HB1       CYS  21  -5.991  -3.043  -1.392
  149    H    ASP  22           HN       ASP  22  -9.035  -4.081  -0.983
  150    HA   ASP  22           HA       ASP  22  -9.873  -1.438  -1.226
  151   1HB   ASP  22          HB2       ASP  22 -10.969  -3.435  -2.199
  152   2HB   ASP  22          HB1       ASP  22 -11.538  -3.901  -0.595
  153    H    ASN  23           HN       ASN  23 -10.133  -3.561   1.603
  154    HA   ASN  23           HA       ASN  23 -11.718  -1.668   3.167
  155   1HB   ASN  23          HB2       ASN  23 -11.554  -4.242   3.324
  156   2HB   ASN  23          HB1       ASN  23 -10.033  -3.968   4.175
  157   1HD2  ASN  23          HD21      ASN  23 -11.841  -5.179   5.763
  158   2HD2  ASN  23          HD22      ASN  23 -12.583  -4.094   6.837
  159    H    GLN  24           HN       GLN  24  -8.400  -2.956   3.668
  160    HA   GLN  24           HA       GLN  24  -7.490  -1.143   5.580
  161   1HB   GLN  24          HB2       GLN  24  -6.385  -3.170   4.355
  162   2HB   GLN  24          HB1       GLN  24  -5.803  -1.957   3.215
  163   1HG   GLN  24          HG2       GLN  24  -4.107  -2.282   4.923
  164   2HG   GLN  24          HG1       GLN  24  -4.829  -0.689   5.147
  165   1HE2  GLN  24          HE21      GLN  24  -5.178  -4.082   6.322
  166   2HE2  GLN  24          HE22      GLN  24  -5.679  -3.643   7.883
  167    H    CYS  25           HN       CYS  25  -7.052  -0.749   2.039
  168    HA   CYS  25           HA       CYS  25  -6.042   1.874   2.021
  169   1HB   CYS  25          HB2       CYS  25  -7.948   0.457   0.128
  170   2HB   CYS  25          HB1       CYS  25  -7.049   1.919  -0.278
  171    H    LYS  26           HN       LYS  26  -9.480   0.903   1.671
  172    HA   LYS  26           HA       LYS  26 -10.737   3.377   1.629
  173   1HB   LYS  26          HB2       LYS  26 -11.841   1.174   1.501
  174   2HB   LYS  26          HB1       LYS  26 -11.480   0.886   3.204
  175   1HG   LYS  26          HG2       LYS  26 -12.765   3.053   3.683
  176   2HG   LYS  26          HG1       LYS  26 -13.346   2.946   2.020
  177   1HD   LYS  26          HD2       LYS  26 -13.630   0.372   3.252
  178   2HD   LYS  26          HD1       LYS  26 -14.356   1.585   4.307
  179   1HE   LYS  26          HE2       LYS  26 -15.952   2.200   2.731
  180   2HE   LYS  26          HE1       LYS  26 -14.931   1.717   1.361
  181   1HZ   LYS  26          HZ1       LYS  26 -15.103  -0.610   2.407
  182   2HZ   LYS  26          HZ2       LYS  26 -16.428  -0.027   1.517
  183   3HZ   LYS  26          HZ3       LYS  26 -16.461   0.006   3.216
  184    H    MET  27           HN       MET  27 -10.112   1.536   4.647
  185    HA   MET  27           HA       MET  27 -10.763   3.498   6.529
  186   1HB   MET  27          HB2       MET  27  -8.681   1.314   6.392
  187   2HB   MET  27          HB1       MET  27  -8.856   2.300   7.844
  188   1HG   MET  27          HG2       MET  27 -10.711   1.183   8.471
  189   2HG   MET  27          HG1       MET  27 -11.442   1.390   6.879
  190   1HE   MET  27          HE1       MET  27  -8.636   0.011   8.685
  191   2HE   MET  27          HE2       MET  27  -8.102  -1.436   7.831
  192   3HE   MET  27          HE3       MET  27  -9.346  -1.562   9.072
  193    H    LYS  28           HN       LYS  28  -7.973   3.315   4.414
  194    HA   LYS  28           HA       LYS  28  -6.566   5.499   5.843
  195   1HB   LYS  28          HB2       LYS  28  -5.936   3.857   3.366
  196   2HB   LYS  28          HB1       LYS  28  -4.824   4.993   4.133
  197   1HG   LYS  28          HG2       LYS  28  -4.965   3.677   6.237
  198   2HG   LYS  28          HG1       LYS  28  -6.009   2.515   5.417
  199   1HD   LYS  28          HD2       LYS  28  -4.267   1.537   4.349
  200   2HD   LYS  28          HD1       LYS  28  -3.539   3.091   3.938
  201   1HE   LYS  28          HE2       LYS  28  -3.428   1.940   6.741
  202   2HE   LYS  28          HE1       LYS  28  -2.160   1.656   5.532
  203   1HZ   LYS  28          HZ1       LYS  28  -1.854   3.992   5.265
  204   2HZ   LYS  28          HZ2       LYS  28  -1.776   3.660   6.929
  205   3HZ   LYS  28          HZ3       LYS  28  -3.180   4.348   6.262
  206    H    LYS  29           HN       LYS  29  -9.085   6.261   4.759
  207    HA   LYS  29           HA       LYS  29 -10.086   7.771   3.227
  208   1HB   LYS  29          HB2       LYS  29  -8.451   9.014   4.769
  209   2HB   LYS  29          HB1       LYS  29  -7.343   9.036   3.396
  210   1HG   LYS  29          HG2       LYS  29  -9.383  10.003   2.083
  211   2HG   LYS  29          HG1       LYS  29 -10.016  10.386   3.684
  212   1HD   LYS  29          HD2       LYS  29  -7.312  11.191   3.716
  213   2HD   LYS  29          HD1       LYS  29  -7.964  11.752   2.176
  214   1HE   LYS  29          HE2       LYS  29  -9.690  13.013   3.244
  215   2HE   LYS  29          HE1       LYS  29  -9.415  12.205   4.800
  216   1HZ   LYS  29          HZ1       LYS  29  -7.748  13.583   5.267
  217   2HZ   LYS  29          HZ2       LYS  29  -8.197  14.515   3.920
  218   3HZ   LYS  29          HZ3       LYS  29  -7.003  13.315   3.766
  219    H    ALA  30           HN       ALA  30  -8.595   5.476   1.963
  220    HA   ALA  30           HA       ALA  30  -7.371   6.684  -0.446
  221   1HB   ALA  30          HB1       ALA  30  -7.964   3.771   0.125
  222   2HB   ALA  30          HB2       ALA  30  -6.580   4.601   0.838
  223   3HB   ALA  30          HB3       ALA  30  -6.704   4.438  -0.913
  224    H    SER  31           HN       SER  31  -8.195   6.044  -2.618
  225    HA   SER  31           HA       SER  31 -11.182   5.781  -2.611
  226   1HB   SER  31          HB2       SER  31 -11.168   7.324  -4.325
  227   2HB   SER  31          HB1       SER  31  -9.641   7.775  -3.570
  228    HG   SER  31           HG       SER  31  -9.975   7.011  -6.015
  229    H    GLY  32           HN       GLY  32  -8.203   4.697  -4.239
  230   1HA   GLY  32          HA2       GLY  32  -9.788   2.454  -5.429
  231   2HA   GLY  32          HA1       GLY  32  -8.335   3.124  -6.174
  232    H    GLY  33           HN       GLY  33  -9.537   1.136  -3.535
  233   1HA   GLY  33          HA2       GLY  33  -6.757   0.461  -2.745
  234   2HA   GLY  33          HA1       GLY  33  -8.213   0.006  -1.860
  235    H    HIS  34           HN       HIS  34  -5.800  -1.268  -3.672
  236    HA   HIS  34           HA       HIS  34  -7.321  -3.737  -4.162
  237   1HB   HIS  34          HB2       HIS  34  -7.162  -3.702  -6.517
  238   2HB   HIS  34          HB1       HIS  34  -7.585  -2.039  -6.121
  239    HD1  HIS  34           HD1      HIS  34  -4.580  -1.385  -5.085
  240    HD2  HIS  34           HD2      HIS  34  -5.665  -2.912  -8.810
  241    HE1  HIS  34           HE1      HIS  34  -2.693  -0.809  -6.675
  242    H    CYS  35           HN       CYS  35  -5.730  -5.441  -5.116
  243    HA   CYS  35           HA       CYS  35  -3.102  -5.067  -3.754
  244   1HB   CYS  35          HB2       CYS  35  -4.367  -6.966  -3.019
  245   2HB   CYS  35          HB1       CYS  35  -4.738  -7.443  -4.676
  246    H    TYR  36           HN       TYR  36  -1.172  -5.244  -4.890
  247    HA   TYR  36           HA       TYR  36  -1.137  -6.206  -7.675
  248   1HB   TYR  36          HB2       TYR  36  -1.705  -3.528  -7.110
  249   2HB   TYR  36          HB1       TYR  36   0.012  -3.525  -7.520
  250    HD1  TYR  36           HD1      TYR  36  -3.382  -3.989  -8.762
  251    HD2  TYR  36           HD2      TYR  36   0.781  -4.467  -9.704
  252    HE1  TYR  36           HE1      TYR  36  -3.954  -4.236 -11.163
  253    HE2  TYR  36           HE2      TYR  36   0.210  -4.713 -12.105
  254    HH   TYR  36           HH       TYR  36  -2.408  -3.758 -13.478
  255    H    ALA  37           HN       ALA  37   1.039  -6.601  -8.392
  256    HA   ALA  37           HA       ALA  37   3.283  -7.254  -8.018
  257   1HB   ALA  37          HB1       ALA  37   4.419  -5.327  -6.566
  258   2HB   ALA  37          HB2       ALA  37   2.869  -4.530  -6.842
  259   3HB   ALA  37          HB3       ALA  37   3.869  -5.015  -8.212
  260    H    MET  38           HN       MET  38   1.273  -8.303  -6.128
  261    HA   MET  38           HA       MET  38   1.276  -9.547  -4.117
  262   1HB   MET  38          HB2       MET  38   4.026  -9.273  -5.070
  263   2HB   MET  38          HB1       MET  38   3.949  -9.479  -3.320
  264   1HG   MET  38          HG2       MET  38   3.895 -11.697  -3.924
  265   2HG   MET  38          HG1       MET  38   2.167 -11.357  -4.024
  266   1HE   MET  38          HE1       MET  38   2.551 -13.709  -6.967
  267   2HE   MET  38          HE2       MET  38   2.150 -13.485  -5.267
  268   3HE   MET  38          HE3       MET  38   3.822 -13.779  -5.738
  269    H    SER  39           HN       SER  39   1.582  -6.357  -4.264
  270    HA   SER  39           HA       SER  39   1.937  -6.052  -1.299
  271   1HB   SER  39          HB2       SER  39   2.978  -4.449  -3.636
  272   2HB   SER  39          HB1       SER  39   2.857  -3.742  -2.027
  273    HG   SER  39           HG       SER  39   4.309  -5.190  -1.276
  274    H    CYS  40           HN       CYS  40   0.289  -4.922  -0.306
  275    HA   CYS  40           HA       CYS  40  -2.155  -4.330  -1.663
  276   1HB   CYS  40          HB2       CYS  40  -1.592  -4.782   0.829
  277   2HB   CYS  40          HB1       CYS  40  -1.217  -3.060   0.913
  278    H    TYR  41           HN       TYR  41  -2.919  -2.418  -2.567
  279    HA   TYR  41           HA       TYR  41  -1.157   0.002  -2.404
  280   1HB   TYR  41          HB2       TYR  41  -0.779  -1.295  -4.487
  281   2HB   TYR  41          HB1       TYR  41  -2.501  -1.186  -4.853
  282    HD1  TYR  41           HD1      TYR  41  -3.495   0.860  -5.653
  283    HD2  TYR  41           HD2      TYR  41   0.643   0.733  -4.513
  284    HE1  TYR  41           HE1      TYR  41  -3.138   3.076  -6.707
  285    HE2  TYR  41           HE2      TYR  41   1.001   2.949  -5.568
  286    HH   TYR  41           HH       TYR  41  -0.032   4.352  -7.295
  287    H    CYS  42           HN       CYS  42  -2.315   2.005  -2.590
  288    HA   CYS  42           HA       CYS  42  -5.299   1.813  -2.679
  289   1HB   CYS  42          HB2       CYS  42  -3.810   3.528  -0.684
  290   2HB   CYS  42          HB1       CYS  42  -5.498   3.027  -0.645
  291    H    GLU  43           HN       GLU  43  -6.224   3.527  -3.799
  292    HA   GLU  43           HA       GLU  43  -4.349   5.604  -4.863
  293   1HB   GLU  43          HB2       GLU  43  -5.856   3.859  -6.208
  294   2HB   GLU  43          HB1       GLU  43  -7.094   5.087  -5.945
  295   1HG   GLU  43          HG2       GLU  43  -5.925   6.714  -7.163
  296   2HG   GLU  43          HG1       GLU  43  -4.384   5.874  -6.986
  297    H    GLY  44           HN       GLY  44  -4.519   7.196  -3.203
  298   1HA   GLY  44          HA2       GLY  44  -6.043   9.298  -3.116
  299   2HA   GLY  44          HA1       GLY  44  -7.278   8.154  -2.593
  300    H    LEU  45           HN       LEU  45  -4.385   7.056  -1.368
  301    HA   LEU  45           HA       LEU  45  -4.918   7.282   1.330
  302   1HB   LEU  45          HB2       LEU  45  -2.307   7.529  -0.193
  303   2HB   LEU  45          HB1       LEU  45  -2.379   7.306   1.555
  304    HG   LEU  45           HG       LEU  45  -3.727   5.433  -0.406
  305   1HD1  LEU  45          HD11      LEU  45  -1.822   3.929  -0.054
  306   2HD1  LEU  45          HD12      LEU  45  -1.048   5.124   0.987
  307   3HD1  LEU  45          HD13      LEU  45  -1.260   5.457  -0.732
  308   1HD2  LEU  45          HD21      LEU  45  -3.968   3.989   1.496
  309   2HD2  LEU  45          HD22      LEU  45  -4.493   5.587   2.025
  310   3HD2  LEU  45          HD23      LEU  45  -2.895   4.991   2.473
  311    HA   PRO  46           HA       PRO  46  -4.633  11.521   2.430
  312   1HB   PRO  46          HB2       PRO  46  -3.495  11.382   4.917
  313   2HB   PRO  46          HB1       PRO  46  -5.174  10.904   4.595
  314   1HG   PRO  46          HG2       PRO  46  -2.757   9.208   4.940
  315   2HG   PRO  46          HG1       PRO  46  -4.422   8.924   5.467
  316   1HD   PRO  46          HD2       PRO  46  -3.295   7.749   3.265
  317   2HD   PRO  46          HD1       PRO  46  -5.039   8.026   3.459
  318    H    GLU  47           HN       GLU  47  -3.168  13.103   1.864
  319    HA   GLU  47           HA       GLU  47  -0.619  12.681   0.864
  320   1HB   GLU  47          HB2       GLU  47  -1.881  14.755   0.648
  321   2HB   GLU  47          HB1       GLU  47  -1.757  15.048   2.383
  322   1HG   GLU  47          HG2       GLU  47   0.249  16.025   2.120
  323   2HG   GLU  47          HG1       GLU  47   0.872  14.598   1.292
  324    H    ASN  48           HN       ASN  48  -1.568  12.745   4.231
  325    HA   ASN  48           HA       ASN  48   1.242  13.010   5.151
  326   1HB   ASN  48          HB2       ASN  48   0.179  13.183   7.346
  327   2HB   ASN  48          HB1       ASN  48  -0.677  14.223   6.206
  328   1HD2  ASN  48          HD21      ASN  48  -2.909  13.999   6.321
  329   2HD2  ASN  48          HD22      ASN  48  -3.728  12.586   6.783
  330    H    ALA  49           HN       ALA  49  -0.247  10.518   3.803
  331    HA   ALA  49           HA       ALA  49   0.020   8.466   5.881
  332   1HB   ALA  49          HB1       ALA  49  -1.009   7.130   4.297
  333   2HB   ALA  49          HB2       ALA  49  -0.110   7.847   2.960
  334   3HB   ALA  49          HB3       ALA  49  -1.475   8.710   3.668
  335    H    LYS  50           HN       LYS  50   1.578   6.681   5.695
  336    HA   LYS  50           HA       LYS  50   4.180   7.599   4.548
  337   1HB   LYS  50          HB2       LYS  50   3.798   7.037   7.023
  338   2HB   LYS  50          HB1       LYS  50   3.655   5.355   6.511
  339   1HG   LYS  50          HG2       LYS  50   5.886   5.275   5.737
  340   2HG   LYS  50          HG1       LYS  50   6.026   7.033   5.701
  341   1HD   LYS  50          HD2       LYS  50   5.855   7.084   8.175
  342   2HD   LYS  50          HD1       LYS  50   5.774   5.321   8.192
  343   1HE   LYS  50          HE2       LYS  50   8.086   6.013   8.624
  344   2HE   LYS  50          HE1       LYS  50   8.008   5.282   7.008
  345   1HZ   LYS  50          HZ1       LYS  50   7.383   8.117   7.172
  346   2HZ   LYS  50          HZ2       LYS  50   8.254   7.263   5.988
  347   3HZ   LYS  50          HZ3       LYS  50   9.006   7.709   7.444
  348    H    VAL  51           HN       VAL  51   4.033   6.844   2.394
  349    HA   VAL  51           HA       VAL  51   3.715   3.875   2.079
  350    HB   VAL  51           HB       VAL  51   2.849   4.516  -0.208
  351   1HG1  VAL  51          HG11      VAL  51   1.581   4.967   2.398
  352   2HG1  VAL  51          HG12      VAL  51   0.958   4.125   0.979
  353   3HG1  VAL  51          HG13      VAL  51   0.818   5.880   1.096
  354   1HG2  VAL  51          HG21      VAL  51   4.011   6.833   0.007
  355   2HG2  VAL  51          HG22      VAL  51   2.581   7.297   0.929
  356   3HG2  VAL  51          HG23      VAL  51   2.418   6.774  -0.747
  357    H    SER  52           HN       SER  52   4.897   3.069   0.078
  358    HA   SER  52           HA       SER  52   7.621   4.224   0.017
  359   1HB   SER  52          HB2       SER  52   7.369   1.836   0.314
  360   2HB   SER  52          HB1       SER  52   6.307   1.724  -1.086
  361    HG   SER  52           HG       SER  52   8.855   2.834  -1.412
  362    H    ASP  53           HN       ASP  53   8.396   5.398  -1.712
  363    HA   ASP  53           HA       ASP  53   6.552   6.022  -3.932
  364   1HB   ASP  53          HB2       ASP  53   8.377   7.653  -4.466
  365   2HB   ASP  53          HB1       ASP  53   7.812   7.785  -2.800
  366    H    SER  54           HN       SER  54   8.059   3.328  -3.578
  367    HA   SER  54           HA       SER  54   9.179   3.263  -6.356
  368   1HB   SER  54          HB2       SER  54  10.797   1.546  -5.208
  369   2HB   SER  54          HB1       SER  54  11.083   3.270  -4.986
  370    HG   SER  54           HG       SER  54  10.448   1.378  -3.169
  371    H    ALA  55           HN       ALA  55   8.030   1.777  -7.535
  372    HA   ALA  55           HA       ALA  55   6.080   0.005  -6.435
  373   1HB   ALA  55          HB1       ALA  55   7.545  -0.325  -9.060
  374   2HB   ALA  55          HB2       ALA  55   6.372   0.966  -8.799
  375   3HB   ALA  55          HB3       ALA  55   5.865  -0.721  -8.699
  376    H    THR  56           HN       THR  56   9.513  -0.289  -6.636
  377    HA   THR  56           HA       THR  56   9.312  -3.102  -5.665
  378    HB   THR  56           HB       THR  56   9.637  -3.292  -8.053
  379    HG1  THR  56           HG1      THR  56  11.129  -4.397  -6.468
  380   1HG2  THR  56          HG21      THR  56  12.015  -1.443  -7.781
  381   2HG2  THR  56          HG22      THR  56  10.418  -0.891  -8.286
  382   3HG2  THR  56          HG23      THR  56  11.299  -2.060  -9.270
  383    H    ASN  57           HN       ASN  57  10.316  -2.904  -3.680
  384    HA   ASN  57           HA       ASN  57  13.103  -1.963  -3.598
  385   1HB   ASN  57          HB2       ASN  57  12.576  -0.220  -1.904
  386   2HB   ASN  57          HB1       ASN  57  11.784   0.108  -3.446
  387   1HD2  ASN  57          HD21      ASN  57  10.964   0.815  -0.574
  388   2HD2  ASN  57          HD22      ASN  57   9.381   0.220  -0.434
  389    H    ILE  58           HN       ILE  58  14.142  -2.575  -1.595
  390    HA   ILE  58           HA       ILE  58  12.731  -4.777  -0.177
  391    HB   ILE  58           HB       ILE  58  15.589  -3.849  -0.505
  392   1HG1  ILE  58          HG12      ILE  58  14.299  -6.533  -1.062
  393   2HG1  ILE  58          HG11      ILE  58  14.381  -5.243  -2.262
  394   1HG2  ILE  58          HG21      ILE  58  15.614  -6.300   0.852
  395   2HG2  ILE  58          HG22      ILE  58  14.416  -5.330   1.709
  396   3HG2  ILE  58          HG23      ILE  58  16.063  -4.730   1.517
  397   1HD1  ILE  58          HD11      ILE  58  16.658  -6.752  -0.981
  398   2HD1  ILE  58          HD12      ILE  58  16.913  -5.191  -1.762
  399   3HD1  ILE  58          HD13      ILE  58  16.301  -6.556  -2.698
  400    H    CYS  59           HN       CYS  59  12.400  -4.722   2.069
  401    HA   CYS  59           HA       CYS  59  12.839  -2.065   3.379
  402   1HB   CYS  59          HB2       CYS  59  10.518  -2.804   3.134
  403   2HB   CYS  59          HB1       CYS  59  10.903  -4.348   3.895
  404    H    GLY  60           HN       GLY  60  14.530  -2.065   4.807
  405   1HA   GLY  60          HA2       GLY  60  14.780  -4.067   6.871
  406   2HA   GLY  60          HA1       GLY  60  16.031  -4.277   5.645
  Start of MODEL   12
    1   1H    LYS   1          HT1       LYS   1  -3.153  11.071  -2.680
    2   2H    LYS   1          HT2       LYS   1  -4.425  10.627  -3.714
    3   3H    LYS   1          HT3       LYS   1  -3.550  12.054  -4.004
    4    HA   LYS   1           HA       LYS   1  -2.658  10.572  -5.555
    5   1HB   LYS   1          HB2       LYS   1  -0.404  10.483  -4.778
    6   2HB   LYS   1          HB1       LYS   1  -1.136  11.822  -3.894
    7   1HG   LYS   1          HG2       LYS   1  -1.687  10.050  -2.080
    8   2HG   LYS   1          HG1       LYS   1  -0.493   9.047  -2.903
    9   1HD   LYS   1          HD2       LYS   1   1.174  10.884  -2.661
   10   2HD   LYS   1          HD1       LYS   1  -0.019  11.811  -1.747
   11   1HE   LYS   1          HE2       LYS   1  -0.090  10.116  -0.003
   12   2HE   LYS   1          HE1       LYS   1   0.955   9.042  -0.954
   13   1HZ   LYS   1          HZ1       LYS   1   2.559  10.985  -1.012
   14   2HZ   LYS   1          HZ2       LYS   1   2.406  10.175   0.474
   15   3HZ   LYS   1          HZ3       LYS   1   1.633  11.669   0.234
   16    H    ASP   2           HN       ASP   2  -1.469   8.376  -5.790
   17    HA   ASP   2           HA       ASP   2  -2.838   6.282  -4.128
   18   1HB   ASP   2          HB2       ASP   2  -2.061   6.030  -7.042
   19   2HB   ASP   2          HB1       ASP   2  -3.219   5.055  -6.137
   20    H    GLY   3           HN       GLY   3  -1.558   4.299  -3.848
   21   1HA   GLY   3          HA2       GLY   3   0.948   3.703  -4.892
   22   2HA   GLY   3          HA1       GLY   3   1.291   4.849  -3.600
   23    H    TYR   4           HN       TYR   4   2.461   2.930  -2.723
   24    HA   TYR   4           HA       TYR   4   0.666   0.918  -1.433
   25   1HB   TYR   4          HB2       TYR   4   3.683   1.008  -1.780
   26   2HB   TYR   4          HB1       TYR   4   2.740  -0.377  -1.230
   27    HD1  TYR   4           HD1      TYR   4   1.526  -1.764  -2.772
   28    HD2  TYR   4           HD2      TYR   4   3.457   1.830  -4.125
   29    HE1  TYR   4           HE1      TYR   4   1.164  -2.454  -5.126
   30    HE2  TYR   4           HE2      TYR   4   3.091   1.138  -6.478
   31    HH   TYR   4           HH       TYR   4   1.802  -2.041  -7.280
   32    HA   PRO   5           HA       PRO   5   1.372   3.150   2.343
   33   1HB   PRO   5          HB2       PRO   5   0.158   1.356   4.013
   34   2HB   PRO   5          HB1       PRO   5  -0.747   2.467   2.967
   35   1HG   PRO   5          HG2       PRO   5  -0.172  -0.424   2.605
   36   2HG   PRO   5          HG1       PRO   5  -1.620   0.503   2.185
   37   1HD   PRO   5          HD2       PRO   5   0.302  -0.273   0.381
   38   2HD   PRO   5          HD1       PRO   5  -0.792   1.109   0.150
   39    H    VAL   6           HN       VAL   6   2.873   2.999   4.076
   40    HA   VAL   6           HA       VAL   6   4.657   0.595   3.999
   41    HB   VAL   6           HB       VAL   6   6.282   2.201   5.027
   42   1HG1  VAL   6          HG11      VAL   6   6.510   2.078   2.703
   43   2HG1  VAL   6          HG12      VAL   6   6.233   3.802   2.952
   44   3HG1  VAL   6          HG13      VAL   6   4.912   2.765   2.412
   45   1HG2  VAL   6          HG21      VAL   6   5.589   4.177   5.868
   46   2HG2  VAL   6          HG22      VAL   6   3.933   3.634   5.594
   47   3HG2  VAL   6          HG23      VAL   6   4.764   4.587   4.365
   48    H    ASP   7           HN       ASP   7   5.746   0.239   6.241
   49    HA   ASP   7           HA       ASP   7   3.587   0.233   8.320
   50   1HB   ASP   7          HB2       ASP   7   4.729  -1.782   9.129
   51   2HB   ASP   7          HB1       ASP   7   4.408  -1.937   7.402
   52    H    SER   8           HN       SER   8   4.994  -0.224  10.582
   53    HA   SER   8           HA       SER   8   6.046   2.306  11.343
   54   1HB   SER   8          HB2       SER   8   6.617   1.116  13.393
   55   2HB   SER   8          HB1       SER   8   5.084   0.494  12.790
   56    HG   SER   8           HG       SER   8   6.650  -1.135  13.401
   57    H    LYS   9           HN       LYS   9   7.564  -0.349   9.693
   58    HA   LYS   9           HA       LYS   9  10.294   0.571  10.414
   59   1HB   LYS   9          HB2       LYS   9   9.484  -1.856  10.299
   60   2HB   LYS   9          HB1       LYS   9   9.456  -1.656   8.546
   61   1HG   LYS   9          HG2       LYS   9  11.710  -1.779   8.389
   62   2HG   LYS   9          HG1       LYS   9  11.942  -0.695   9.761
   63   1HD   LYS   9          HD2       LYS   9  11.046  -2.843  11.095
   64   2HD   LYS   9          HD1       LYS   9  11.756  -3.668   9.706
   65   1HE   LYS   9          HE2       LYS   9  13.555  -1.594  10.618
   66   2HE   LYS   9          HE1       LYS   9  13.138  -2.675  11.963
   67   1HZ   LYS   9          HZ1       LYS   9  14.134  -3.456   9.276
   68   2HZ   LYS   9          HZ2       LYS   9  13.508  -4.561  10.404
   69   3HZ   LYS   9          HZ3       LYS   9  14.918  -3.682  10.763
   70    H    GLY  10           HN       GLY  10   7.994   0.739   7.771
   71   1HA   GLY  10          HA2       GLY  10   8.341   2.605   6.155
   72   2HA   GLY  10          HA1       GLY  10  10.059   2.204   6.177
   73    H    CYS  11           HN       CYS  11   8.410  -0.669   6.304
   74    HA   CYS  11           HA       CYS  11   8.910  -1.164   3.422
   75   1HB   CYS  11          HB2       CYS  11   8.043  -3.054   5.631
   76   2HB   CYS  11          HB1       CYS  11   8.803  -3.485   4.100
   77    H    LYS  12           HN       LYS  12   7.249  -1.814   1.995
   78    HA   LYS  12           HA       LYS  12   4.615  -0.802   2.400
   79   1HB   LYS  12          HB2       LYS  12   5.779  -2.890   0.532
   80   2HB   LYS  12          HB1       LYS  12   4.163  -2.208   0.346
   81   1HG   LYS  12          HG2       LYS  12   4.954  -0.163  -0.338
   82   2HG   LYS  12          HG1       LYS  12   6.403  -0.272   0.662
   83   1HD   LYS  12          HD2       LYS  12   7.016  -0.435  -1.704
   84   2HD   LYS  12          HD1       LYS  12   7.324  -1.973  -0.898
   85   1HE   LYS  12          HE2       LYS  12   4.692  -2.246  -1.729
   86   2HE   LYS  12          HE1       LYS  12   5.454  -1.374  -3.074
   87   1HZ   LYS  12          HZ1       LYS  12   5.904  -3.651  -3.440
   88   2HZ   LYS  12          HZ2       LYS  12   6.342  -3.910  -1.819
   89   3HZ   LYS  12          HZ3       LYS  12   7.344  -2.990  -2.836
   90    H    LEU  13           HN       LEU  13   2.611  -2.011   2.684
   91    HA   LEU  13           HA       LEU  13   2.870  -4.226   4.600
   92   1HB   LEU  13          HB2       LEU  13   1.260  -2.167   4.565
   93   2HB   LEU  13          HB1       LEU  13   0.318  -3.133   3.429
   94    HG   LEU  13           HG       LEU  13   0.082  -4.920   5.048
   95   1HD1  LEU  13          HD11      LEU  13   1.057  -4.036   7.456
   96   2HD1  LEU  13          HD12      LEU  13   2.299  -3.467   6.341
   97   3HD1  LEU  13          HD13      LEU  13   1.889  -5.181   6.403
   98   1HD2  LEU  13          HD21      LEU  13  -0.369  -2.273   6.460
   99   2HD2  LEU  13          HD22      LEU  13  -1.234  -3.782   6.747
  100   3HD2  LEU  13          HD23      LEU  13  -1.439  -2.926   5.220
  101    H    SER  14           HN       SER  14   3.537  -6.069   3.418
  102    HA   SER  14           HA       SER  14   2.535  -6.861   0.862
  103   1HB   SER  14          HB2       SER  14   3.812  -8.247   3.218
  104   2HB   SER  14          HB1       SER  14   3.346  -9.153   1.781
  105    HG   SER  14           HG       SER  14   4.857  -8.158   0.648
  106    H    CYS  15           HN       CYS  15   0.556  -7.711   0.325
  107    HA   CYS  15           HA       CYS  15  -1.152  -8.778   2.551
  108   1HB   CYS  15          HB2       CYS  15  -3.033  -7.901   1.081
  109   2HB   CYS  15          HB1       CYS  15  -1.985  -6.658   1.765
  110    H    VAL  16           HN       VAL  16  -3.120 -10.001   1.280
  111    HA   VAL  16           HA       VAL  16  -1.999 -11.726  -0.878
  112    HB   VAL  16           HB       VAL  16  -1.451 -12.855   1.195
  113   1HG1  VAL  16          HG11      VAL  16  -4.235 -13.139   2.137
  114   2HG1  VAL  16          HG12      VAL  16  -3.584 -11.505   2.258
  115   3HG1  VAL  16          HG13      VAL  16  -2.759 -12.843   3.054
  116   1HG2  VAL  16          HG21      VAL  16  -3.005 -14.876   1.020
  117   2HG2  VAL  16          HG22      VAL  16  -2.207 -14.393  -0.476
  118   3HG2  VAL  16          HG23      VAL  16  -3.896 -13.968  -0.202
  119    H    ALA  17           HN       ALA  17  -4.799 -10.740   1.073
  120    HA   ALA  17           HA       ALA  17  -6.640 -11.717  -1.065
  121   1HB   ALA  17          HB1       ALA  17  -6.905 -10.923   1.841
  122   2HB   ALA  17          HB2       ALA  17  -7.207 -12.501   1.115
  123   3HB   ALA  17          HB3       ALA  17  -8.319 -11.166   0.816
  124    H    ASN  18           HN       ASN  18  -8.499 -10.183  -1.552
  125    HA   ASN  18           HA       ASN  18  -7.435  -7.459  -2.001
  126   1HB   ASN  18          HB2       ASN  18  -9.792  -9.104  -2.922
  127   2HB   ASN  18          HB1       ASN  18  -9.714  -7.373  -3.258
  128   1HD2  ASN  18          HD21      ASN  18  -9.264 -10.034  -4.939
  129   2HD2  ASN  18          HD22      ASN  18  -7.860  -9.666  -5.820
  130    H    ASN  19           HN       ASN  19 -10.428  -8.893  -0.638
  131    HA   ASN  19           HA       ASN  19 -11.735  -6.670   0.349
  132   1HB   ASN  19          HB2       ASN  19 -12.366  -8.268   2.262
  133   2HB   ASN  19          HB1       ASN  19 -12.641  -8.864   0.625
  134   1HD2  ASN  19          HD21      ASN  19 -11.971 -10.996   0.437
  135   2HD2  ASN  19          HD22      ASN  19 -10.614 -11.668   1.204
  136    H    TYR  20           HN       TYR  20  -8.734  -8.063   1.573
  137    HA   TYR  20           HA       TYR  20  -8.667  -6.694   4.104
  138   1HB   TYR  20          HB2       TYR  20  -7.245  -8.571   3.742
  139   2HB   TYR  20          HB1       TYR  20  -6.625  -7.906   2.231
  140    HD1  TYR  20           HD1      TYR  20  -4.308  -7.662   2.614
  141    HD2  TYR  20           HD2      TYR  20  -7.115  -6.193   5.513
  142    HE1  TYR  20           HE1      TYR  20  -2.458  -6.566   3.849
  143    HE2  TYR  20           HE2      TYR  20  -5.266  -5.098   6.749
  144    HH   TYR  20           HH       TYR  20  -1.951  -5.111   5.484
  145    H    CYS  21           HN       CYS  21  -7.151  -5.926   0.946
  146    HA   CYS  21           HA       CYS  21  -6.068  -3.392   1.803
  147   1HB   CYS  21          HB2       CYS  21  -6.633  -4.784  -0.811
  148   2HB   CYS  21          HB1       CYS  21  -6.021  -3.130  -0.797
  149    H    ASP  22           HN       ASP  22  -9.073  -4.339   0.136
  150    HA   ASP  22           HA       ASP  22 -10.091  -1.821  -0.577
  151   1HB   ASP  22          HB2       ASP  22 -10.969  -4.260  -0.864
  152   2HB   ASP  22          HB1       ASP  22 -11.777  -3.984   0.679
  153    H    ASN  23           HN       ASN  23 -10.706  -3.548   2.515
  154    HA   ASN  23           HA       ASN  23 -12.009  -1.302   3.771
  155   1HB   ASN  23          HB2       ASN  23 -12.456  -3.486   4.589
  156   2HB   ASN  23          HB1       ASN  23 -10.741  -3.888   4.684
  157   1HD2  ASN  23          HD21      ASN  23 -11.164  -4.441   7.018
  158   2HD2  ASN  23          HD22      ASN  23 -11.244  -3.190   8.163
  159    H    GLN  24           HN       GLN  24  -8.804  -2.757   4.479
  160    HA   GLN  24           HA       GLN  24  -7.746  -0.890   6.218
  161   1HB   GLN  24          HB2       GLN  24  -6.653  -2.955   5.368
  162   2HB   GLN  24          HB1       GLN  24  -6.369  -2.152   3.823
  163   1HG   GLN  24          HG2       GLN  24  -4.432  -1.378   4.674
  164   2HG   GLN  24          HG1       GLN  24  -5.390  -0.370   5.759
  165   1HE2  GLN  24          HE21      GLN  24  -5.587  -1.031   7.977
  166   2HE2  GLN  24          HE22      GLN  24  -4.725  -2.345   8.619
  167    H    CYS  25           HN       CYS  25  -7.394  -0.663   2.646
  168    HA   CYS  25           HA       CYS  25  -6.189   1.850   2.457
  169   1HB   CYS  25          HB2       CYS  25  -8.312   0.487   0.779
  170   2HB   CYS  25          HB1       CYS  25  -7.486   1.955   0.259
  171    H    LYS  26           HN       LYS  26  -9.731   1.231   2.442
  172    HA   LYS  26           HA       LYS  26 -10.705   3.835   2.388
  173   1HB   LYS  26          HB2       LYS  26 -11.997   1.683   2.473
  174   2HB   LYS  26          HB1       LYS  26 -11.648   1.588   4.201
  175   1HG   LYS  26          HG2       LYS  26 -12.719   3.857   4.460
  176   2HG   LYS  26          HG1       LYS  26 -13.220   3.749   2.772
  177   1HD   LYS  26          HD2       LYS  26 -14.652   1.919   3.188
  178   2HD   LYS  26          HD1       LYS  26 -13.878   1.552   4.731
  179   1HE   LYS  26          HE2       LYS  26 -15.939   2.629   5.308
  180   2HE   LYS  26          HE1       LYS  26 -14.704   3.889   5.490
  181   1HZ   LYS  26          HZ1       LYS  26 -16.894   3.974   3.816
  182   2HZ   LYS  26          HZ2       LYS  26 -15.573   3.684   2.787
  183   3HZ   LYS  26          HZ3       LYS  26 -15.574   5.039   3.813
  184    H    MET  27           HN       MET  27  -9.877   2.024   5.377
  185    HA   MET  27           HA       MET  27 -10.212   4.081   7.255
  186   1HB   MET  27          HB2       MET  27  -8.141   1.870   7.026
  187   2HB   MET  27          HB1       MET  27  -8.420   2.799   8.500
  188   1HG   MET  27          HG2       MET  27 -10.953   2.090   8.011
  189   2HG   MET  27          HG1       MET  27 -10.152   0.747   7.196
  190   1HE   MET  27          HE1       MET  27  -7.748  -0.616   9.704
  191   2HE   MET  27          HE2       MET  27  -8.108  -0.176   8.036
  192   3HE   MET  27          HE3       MET  27  -9.036  -1.449   8.824
  193    H    LYS  28           HN       LYS  28  -7.708   3.621   4.851
  194    HA   LYS  28           HA       LYS  28  -6.025   5.790   5.982
  195   1HB   LYS  28          HB2       LYS  28  -5.810   3.790   3.723
  196   2HB   LYS  28          HB1       LYS  28  -4.625   5.079   3.935
  197   1HG   LYS  28          HG2       LYS  28  -5.359   3.022   6.040
  198   2HG   LYS  28          HG1       LYS  28  -3.899   2.989   5.051
  199   1HD   LYS  28          HD2       LYS  28  -2.883   4.353   6.519
  200   2HD   LYS  28          HD1       LYS  28  -4.097   5.591   6.195
  201   1HE   LYS  28          HE2       LYS  28  -4.150   5.115   8.579
  202   2HE   LYS  28          HE1       LYS  28  -5.606   4.393   7.866
  203   1HZ   LYS  28          HZ1       LYS  28  -4.241   2.879   9.333
  204   2HZ   LYS  28          HZ2       LYS  28  -3.052   2.912   8.120
  205   3HZ   LYS  28          HZ3       LYS  28  -4.595   2.286   7.784
  206    H    LYS  29           HN       LYS  29  -8.708   6.433   4.945
  207    HA   LYS  29           HA       LYS  29  -9.752   7.973   3.502
  208   1HB   LYS  29          HB2       LYS  29  -7.669   9.084   4.735
  209   2HB   LYS  29          HB1       LYS  29  -7.057   9.200   3.085
  210   1HG   LYS  29          HG2       LYS  29  -8.236  11.173   3.175
  211   2HG   LYS  29          HG1       LYS  29  -9.529  10.106   2.632
  212   1HD   LYS  29          HD2       LYS  29 -10.114   9.745   5.071
  213   2HD   LYS  29          HD1       LYS  29  -8.977  11.037   5.461
  214   1HE   LYS  29          HE2       LYS  29 -10.321  12.429   3.699
  215   2HE   LYS  29          HE1       LYS  29 -11.588  11.215   3.964
  216   1HZ   LYS  29          HZ1       LYS  29 -10.768  11.683   6.466
  217   2HZ   LYS  29          HZ2       LYS  29 -12.078  12.485   5.740
  218   3HZ   LYS  29          HZ3       LYS  29 -10.547  13.220   5.785
  219    H    ALA  30           HN       ALA  30  -8.822   5.543   2.186
  220    HA   ALA  30           HA       ALA  30  -7.847   6.597  -0.444
  221   1HB   ALA  30          HB1       ALA  30  -7.614   4.062   1.102
  222   2HB   ALA  30          HB2       ALA  30  -6.418   4.871   0.090
  223   3HB   ALA  30          HB3       ALA  30  -7.696   3.908  -0.652
  224    H    SER  31           HN       SER  31  -8.850   5.335  -2.366
  225    HA   SER  31           HA       SER  31 -11.772   4.875  -1.853
  226   1HB   SER  31          HB2       SER  31 -12.207   6.463  -3.413
  227   2HB   SER  31          HB1       SER  31 -10.508   6.906  -3.288
  228    HG   SER  31           HG       SER  31 -11.125   6.420  -5.439
  229    H    GLY  32           HN       GLY  32  -8.850   3.804  -3.442
  230   1HA   GLY  32          HA2       GLY  32 -10.365   1.439  -4.473
  231   2HA   GLY  32          HA1       GLY  32  -9.073   2.185  -5.415
  232    H    GLY  33           HN       GLY  33  -9.780   0.290  -2.532
  233   1HA   GLY  33          HA2       GLY  33  -6.860  -0.128  -2.114
  234   2HA   GLY  33          HA1       GLY  33  -8.118  -0.517  -0.943
  235    H    HIS  34           HN       HIS  34  -5.953  -1.957  -2.910
  236    HA   HIS  34           HA       HIS  34  -7.438  -4.501  -2.880
  237   1HB   HIS  34          HB2       HIS  34  -7.617  -4.751  -5.207
  238   2HB   HIS  34          HB1       HIS  34  -7.953  -3.034  -5.000
  239    HD1  HIS  34           HD1      HIS  34  -6.531  -1.486  -6.354
  240    HD2  HIS  34           HD2      HIS  34  -4.717  -5.208  -5.868
  241    HE1  HIS  34           HE1      HIS  34  -4.414  -1.439  -7.743
  242    H    CYS  35           HN       CYS  35  -5.993  -6.323  -3.202
  243    HA   CYS  35           HA       CYS  35  -3.178  -5.684  -2.558
  244   1HB   CYS  35          HB2       CYS  35  -4.607  -7.400  -1.375
  245   2HB   CYS  35          HB1       CYS  35  -4.587  -8.354  -2.859
  246    H    TYR  36           HN       TYR  36  -1.458  -6.074  -3.944
  247    HA   TYR  36           HA       TYR  36  -1.826  -7.650  -6.409
  248   1HB   TYR  36          HB2       TYR  36  -2.489  -4.983  -6.442
  249   2HB   TYR  36          HB1       TYR  36  -0.796  -4.934  -6.939
  250    HD1  TYR  36           HD1      TYR  36  -3.948  -6.861  -7.608
  251    HD2  TYR  36           HD2      TYR  36  -0.263  -5.310  -9.182
  252    HE1  TYR  36           HE1      TYR  36  -4.577  -7.661  -9.870
  253    HE2  TYR  36           HE2      TYR  36  -0.893  -6.109 -11.443
  254    HH   TYR  36           HH       TYR  36  -2.313  -7.596 -12.535
  255    H    ALA  37           HN       ALA  37   0.153  -8.474  -7.094
  256    HA   ALA  37           HA       ALA  37   2.466  -8.944  -7.035
  257   1HB   ALA  37          HB1       ALA  37   3.861  -6.999  -7.010
  258   2HB   ALA  37          HB2       ALA  37   2.701  -6.097  -6.035
  259   3HB   ALA  37          HB3       ALA  37   2.333  -6.474  -7.718
  260    H    MET  38           HN       MET  38   0.715  -9.232  -4.587
  261    HA   MET  38           HA       MET  38   1.109 -10.068  -2.405
  262   1HB   MET  38          HB2       MET  38   3.483 -10.370  -3.791
  263   2HB   MET  38          HB1       MET  38   3.978  -9.424  -2.387
  264   1HG   MET  38          HG2       MET  38   3.965 -11.330  -1.186
  265   2HG   MET  38          HG1       MET  38   2.214 -11.376  -1.386
  266   1HE   MET  38          HE1       MET  38   4.909 -11.879  -4.479
  267   2HE   MET  38          HE2       MET  38   5.492 -13.389  -3.782
  268   3HE   MET  38          HE3       MET  38   5.533 -11.911  -2.825
  269    H    SER  39           HN       SER  39   1.540  -6.936  -3.447
  270    HA   SER  39           HA       SER  39   2.015  -5.932  -0.656
  271   1HB   SER  39          HB2       SER  39   2.402  -4.333  -3.177
  272   2HB   SER  39          HB1       SER  39   3.188  -4.134  -1.612
  273    HG   SER  39           HG       SER  39   3.892  -5.673  -3.735
  274    H    CYS  40           HN       CYS  40   0.443  -4.571   0.201
  275    HA   CYS  40           HA       CYS  40  -2.157  -4.442  -1.056
  276   1HB   CYS  40          HB2       CYS  40  -1.459  -4.408   1.430
  277   2HB   CYS  40          HB1       CYS  40  -1.130  -2.692   1.186
  278    H    TYR  41           HN       TYR  41  -3.234  -2.516  -1.848
  279    HA   TYR  41           HA       TYR  41  -1.518  -0.148  -2.417
  280   1HB   TYR  41          HB2       TYR  41  -1.277  -1.825  -4.253
  281   2HB   TYR  41          HB1       TYR  41  -3.021  -1.757  -4.507
  282    HD1  TYR  41           HD1      TYR  41  -4.047   0.069  -5.671
  283    HD2  TYR  41           HD2      TYR  41   0.121   0.220  -4.645
  284    HE1  TYR  41           HE1      TYR  41  -3.762   2.059  -7.122
  285    HE2  TYR  41           HE2      TYR  41   0.406   2.210  -6.097
  286    HH   TYR  41           HH       TYR  41  -0.719   3.843  -7.220
  287    H    CYS  42           HN       CYS  42  -2.720   1.724  -2.253
  288    HA   CYS  42           HA       CYS  42  -5.710   1.460  -2.318
  289   1HB   CYS  42          HB2       CYS  42  -4.056   3.422  -0.704
  290   2HB   CYS  42          HB1       CYS  42  -5.774   3.071  -0.527
  291    H    GLU  43           HN       GLU  43  -6.781   2.945  -3.608
  292    HA   GLU  43           HA       GLU  43  -5.078   4.878  -5.134
  293   1HB   GLU  43          HB2       GLU  43  -6.170   3.170  -6.469
  294   2HB   GLU  43          HB1       GLU  43  -7.721   3.498  -5.695
  295   1HG   GLU  43          HG2       GLU  43  -7.995   4.760  -7.606
  296   2HG   GLU  43          HG1       GLU  43  -7.214   5.967  -6.583
  297    H    GLY  44           HN       GLY  44  -5.231   6.868  -4.125
  298   1HA   GLY  44          HA2       GLY  44  -6.813   8.849  -4.117
  299   2HA   GLY  44          HA1       GLY  44  -7.965   7.779  -3.315
  300    H    LEU  45           HN       LEU  45  -4.749   7.212  -2.354
  301    HA   LEU  45           HA       LEU  45  -5.144   7.746   0.381
  302   1HB   LEU  45          HB2       LEU  45  -2.638   7.858  -1.329
  303   2HB   LEU  45          HB1       LEU  45  -2.644   7.723   0.430
  304    HG   LEU  45           HG       LEU  45  -4.144   5.758  -1.300
  305   1HD1  LEU  45          HD11      LEU  45  -1.942   4.368  -0.614
  306   2HD1  LEU  45          HD12      LEU  45  -1.223   5.971  -0.763
  307   3HD1  LEU  45          HD13      LEU  45  -2.066   5.252  -2.135
  308   1HD2  LEU  45          HD21      LEU  45  -2.915   4.837   1.177
  309   2HD2  LEU  45          HD22      LEU  45  -4.605   4.767   0.679
  310   3HD2  LEU  45          HD23      LEU  45  -3.975   6.219   1.457
  311    HA   PRO  46           HA       PRO  46  -4.831  12.097   0.822
  312   1HB   PRO  46          HB2       PRO  46  -3.426  12.331   3.159
  313   2HB   PRO  46          HB1       PRO  46  -5.115  11.787   3.094
  314   1HG   PRO  46          HG2       PRO  46  -2.625  10.199   3.419
  315   2HG   PRO  46          HG1       PRO  46  -4.222   9.962   4.144
  316   1HD   PRO  46          HD2       PRO  46  -3.266   8.516   2.019
  317   2HD   PRO  46          HD1       PRO  46  -4.991   8.760   2.369
  318    H    GLU  47           HN       GLU  47  -3.326  13.905   0.667
  319    HA   GLU  47           HA       GLU  47  -0.984  13.425  -0.904
  320   1HB   GLU  47          HB2       GLU  47  -2.142  15.502  -1.068
  321   2HB   GLU  47          HB1       GLU  47  -2.093  15.752   0.676
  322   1HG   GLU  47          HG2       GLU  47   0.462  15.815   0.444
  323   2HG   GLU  47          HG1       GLU  47   0.192  15.947  -1.293
  324    H    ASN  48           HN       ASN  48  -1.485  13.315   2.518
  325    HA   ASN  48           HA       ASN  48   1.469  13.512   2.989
  326   1HB   ASN  48          HB2       ASN  48   0.617  13.871   5.395
  327   2HB   ASN  48          HB1       ASN  48   0.286  15.157   4.234
  328   1HD2  ASN  48          HD21      ASN  48  -1.198  13.335   6.615
  329   2HD2  ASN  48          HD22      ASN  48  -2.806  13.450   6.081
  330    H    ALA  49           HN       ALA  49  -0.301  11.078   2.163
  331    HA   ALA  49           HA       ALA  49  -0.270   9.311   4.475
  332   1HB   ALA  49          HB1       ALA  49  -1.290   7.847   3.004
  333   2HB   ALA  49          HB2       ALA  49  -0.229   8.293   1.668
  334   3HB   ALA  49          HB3       ALA  49  -1.566   9.350   2.123
  335    H    LYS  50           HN       LYS  50   1.157   7.430   4.680
  336    HA   LYS  50           HA       LYS  50   3.917   8.012   3.721
  337   1HB   LYS  50          HB2       LYS  50   2.984   7.464   6.166
  338   2HB   LYS  50          HB1       LYS  50   3.207   5.803   5.614
  339   1HG   LYS  50          HG2       LYS  50   5.269   6.435   6.653
  340   2HG   LYS  50          HG1       LYS  50   5.562   6.489   4.914
  341   1HD   LYS  50          HD2       LYS  50   5.982   8.704   4.969
  342   2HD   LYS  50          HD1       LYS  50   4.516   9.022   5.897
  343   1HE   LYS  50          HE2       LYS  50   7.018   7.879   7.175
  344   2HE   LYS  50          HE1       LYS  50   6.690   9.622   7.093
  345   1HZ   LYS  50          HZ1       LYS  50   4.417   9.039   8.000
  346   2HZ   LYS  50          HZ2       LYS  50   5.712   8.913   9.092
  347   3HZ   LYS  50          HZ3       LYS  50   5.055   7.515   8.383
  348    H    VAL  51           HN       VAL  51   4.215   7.079   1.698
  349    HA   VAL  51           HA       VAL  51   3.646   4.153   1.470
  350    HB   VAL  51           HB       VAL  51   2.794   4.685  -0.859
  351   1HG1  VAL  51          HG11      VAL  51   1.161   4.232   0.840
  352   2HG1  VAL  51          HG12      VAL  51   0.614   5.677  -0.009
  353   3HG1  VAL  51          HG13      VAL  51   1.388   5.822   1.569
  354   1HG2  VAL  51          HG21      VAL  51   2.027   7.108  -1.109
  355   2HG2  VAL  51          HG22      VAL  51   3.765   6.841  -1.242
  356   3HG2  VAL  51          HG23      VAL  51   3.084   7.487   0.251
  357    H    SER  52           HN       SER  52   4.788   3.252  -0.535
  358    HA   SER  52           HA       SER  52   7.551   4.270  -0.623
  359   1HB   SER  52          HB2       SER  52   7.414   1.933  -0.532
  360   2HB   SER  52          HB1       SER  52   6.002   1.880  -1.585
  361    HG   SER  52           HG       SER  52   8.709   2.371  -2.257
  362    H    ASP  53           HN       ASP  53   8.541   4.258  -2.971
  363    HA   ASP  53           HA       ASP  53   6.635   5.675  -4.809
  364   1HB   ASP  53          HB2       ASP  53   8.477   7.192  -5.320
  365   2HB   ASP  53          HB1       ASP  53   8.269   7.122  -3.569
  366    H    SER  54           HN       SER  54   7.960   2.808  -4.599
  367    HA   SER  54           HA       SER  54   8.480   2.622  -7.516
  368   1HB   SER  54          HB2       SER  54  10.673   1.761  -7.239
  369   2HB   SER  54          HB1       SER  54  10.605   3.117  -6.118
  370    HG   SER  54           HG       SER  54  11.014   0.516  -5.615
  371    H    ALA  55           HN       ALA  55   8.084   0.493  -8.317
  372    HA   ALA  55           HA       ALA  55   6.239  -1.137  -6.866
  373   1HB   ALA  55          HB1       ALA  55   8.015  -1.559  -9.283
  374   2HB   ALA  55          HB2       ALA  55   6.296  -1.167  -9.263
  375   3HB   ALA  55          HB3       ALA  55   6.842  -2.765  -8.754
  376    H    THR  56           HN       THR  56   9.733  -1.075  -6.970
  377    HA   THR  56           HA       THR  56   9.790  -3.429  -5.113
  378    HB   THR  56           HB       THR  56  10.595  -4.233  -7.197
  379    HG1  THR  56           HG1      THR  56  12.893  -4.344  -6.836
  380   1HG2  THR  56          HG21      THR  56  12.220  -1.686  -7.434
  381   2HG2  THR  56          HG22      THR  56  10.705  -1.997  -8.281
  382   3HG2  THR  56          HG23      THR  56  12.128  -2.979  -8.629
  383    H    ASN  57           HN       ASN  57  11.141  -3.163  -3.326
  384    HA   ASN  57           HA       ASN  57  12.993  -0.828  -3.249
  385   1HB   ASN  57          HB2       ASN  57  11.929  -0.194  -1.050
  386   2HB   ASN  57          HB1       ASN  57  10.851  -0.005  -2.435
  387   1HD2  ASN  57          HD21      ASN  57   9.431  -2.047  -2.885
  388   2HD2  ASN  57          HD22      ASN  57   8.835  -2.873  -1.527
  389    H    ILE  58           HN       ILE  58  14.080  -0.914  -0.894
  390    HA   ILE  58           HA       ILE  58  14.810  -3.778  -0.381
  391    HB   ILE  58           HB       ILE  58  16.348  -1.176  -0.084
  392   1HG1  ILE  58          HG12      ILE  58  17.244  -3.386  -1.860
  393   2HG1  ILE  58          HG11      ILE  58  15.814  -2.495  -2.385
  394   1HG2  ILE  58          HG21      ILE  58  16.944  -4.013   0.695
  395   2HG2  ILE  58          HG22      ILE  58  17.287  -2.522   1.572
  396   3HG2  ILE  58          HG23      ILE  58  18.262  -2.965   0.170
  397   1HD1  ILE  58          HD11      ILE  58  18.564  -1.388  -1.784
  398   2HD1  ILE  58          HD12      ILE  58  17.139  -0.362  -1.955
  399   3HD1  ILE  58          HD13      ILE  58  17.691  -1.339  -3.316
  400    H    CYS  59           HN       CYS  59  12.595  -3.081   0.994
  401    HA   CYS  59           HA       CYS  59  13.554  -2.217   3.703
  402   1HB   CYS  59          HB2       CYS  59  11.857  -0.841   2.351
  403   2HB   CYS  59          HB1       CYS  59  10.727  -2.167   2.624
  404    H    GLY  60           HN       GLY  60  13.148  -3.603   5.426
  405   1HA   GLY  60          HA2       GLY  60  11.979  -5.380   6.562
  406   2HA   GLY  60          HA1       GLY  60  11.331  -5.910   5.009
  Start of MODEL   13
    1   1H    LYS   1          HT1       LYS   1  -3.856  10.260  -3.622
    2   2H    LYS   1          HT2       LYS   1  -4.832   9.837  -4.948
    3   3H    LYS   1          HT3       LYS   1  -4.058  11.349  -4.907
    4    HA   LYS   1           HA       LYS   1  -2.803   9.993  -6.390
    5   1HB   LYS   1          HB2       LYS   1  -0.710  10.315  -5.314
    6   2HB   LYS   1          HB1       LYS   1  -1.778  11.467  -4.513
    7   1HG   LYS   1          HG2       LYS   1  -2.131   9.896  -2.664
    8   2HG   LYS   1          HG1       LYS   1  -1.131   8.691  -3.475
    9   1HD   LYS   1          HD2       LYS   1   0.777  10.332  -3.409
   10   2HD   LYS   1          HD1       LYS   1  -0.234  11.387  -2.419
   11   1HE   LYS   1          HE2       LYS   1  -0.516   9.070  -1.033
   12   2HE   LYS   1          HE1       LYS   1   1.120   8.844  -1.684
   13   1HZ   LYS   1          HZ1       LYS   1   1.711  11.048  -0.905
   14   2HZ   LYS   1          HZ2       LYS   1   1.158  10.105   0.396
   15   3HZ   LYS   1          HZ3       LYS   1   0.147  11.285  -0.292
   16    H    ASP   2           HN       ASP   2  -1.470   7.979  -6.618
   17    HA   ASP   2           HA       ASP   2  -2.700   5.710  -5.091
   18   1HB   ASP   2          HB2       ASP   2  -1.293   5.622  -7.771
   19   2HB   ASP   2          HB1       ASP   2  -2.419   4.442  -7.100
   20    H    GLY   3           HN       GLY   3  -1.299   4.259  -4.060
   21   1HA   GLY   3          HA2       GLY   3   1.486   3.986  -4.689
   22   2HA   GLY   3          HA1       GLY   3   1.301   5.082  -3.322
   23    H    TYR   4           HN       TYR   4   2.567   3.198  -2.334
   24    HA   TYR   4           HA       TYR   4   0.686   1.064  -1.384
   25   1HB   TYR   4          HB2       TYR   4   3.720   1.067  -1.430
   26   2HB   TYR   4          HB1       TYR   4   2.660  -0.318  -1.173
   27    HD1  TYR   4           HD1      TYR   4   1.267  -1.198  -3.048
   28    HD2  TYR   4           HD2      TYR   4   4.193   1.892  -3.637
   29    HE1  TYR   4           HE1      TYR   4   1.215  -1.615  -5.493
   30    HE2  TYR   4           HE2      TYR   4   4.140   1.475  -6.081
   31    HH   TYR   4           HH       TYR   4   3.231  -1.066  -7.493
   32    HA   PRO   5           HA       PRO   5   1.208   3.269   2.456
   33   1HB   PRO   5          HB2       PRO   5  -0.287   1.570   3.989
   34   2HB   PRO   5          HB1       PRO   5  -1.006   2.784   2.911
   35   1HG   PRO   5          HG2       PRO   5  -0.637  -0.140   2.480
   36   2HG   PRO   5          HG1       PRO   5  -1.999   0.902   2.039
   37   1HD   PRO   5          HD2       PRO   5  -0.113   0.081   0.255
   38   2HD   PRO   5          HD1       PRO   5  -0.994   1.618   0.102
   39    H    VAL   6           HN       VAL   6   2.757   3.030   4.035
   40    HA   VAL   6           HA       VAL   6   4.170   0.405   4.190
   41    HB   VAL   6           HB       VAL   6   5.948   1.866   5.234
   42   1HG1  VAL   6          HG11      VAL   6   6.184   1.419   2.910
   43   2HG1  VAL   6          HG12      VAL   6   6.360   3.167   3.062
   44   3HG1  VAL   6          HG13      VAL   6   4.839   2.481   2.491
   45   1HG2  VAL   6          HG21      VAL   6   3.956   3.591   5.770
   46   2HG2  VAL   6          HG22      VAL   6   4.492   4.266   4.232
   47   3HG2  VAL   6          HG23      VAL   6   5.627   4.119   5.574
   48    H    ASP   7           HN       ASP   7   5.019  -0.126   6.426
   49    HA   ASP   7           HA       ASP   7   2.800   0.045   8.361
   50   1HB   ASP   7          HB2       ASP   7   4.108  -1.661   9.515
   51   2HB   ASP   7          HB1       ASP   7   4.085  -2.039   7.792
   52    H    SER   8           HN       SER   8   3.713   0.284  10.776
   53    HA   SER   8           HA       SER   8   4.488   2.978  11.181
   54   1HB   SER   8          HB2       SER   8   5.045   2.059  13.502
   55   2HB   SER   8          HB1       SER   8   3.430   1.685  12.906
   56    HG   SER   8           HG       SER   8   4.082  -0.276  13.403
   57    H    LYS   9           HN       LYS   9   6.383   0.256  10.243
   58    HA   LYS   9           HA       LYS   9   8.935   1.268  11.279
   59   1HB   LYS   9          HB2       LYS   9   8.036  -1.164  10.759
   60   2HB   LYS   9          HB1       LYS   9   8.624  -0.811   9.133
   61   1HG   LYS   9          HG2       LYS   9  10.340  -0.399  11.587
   62   2HG   LYS   9          HG1       LYS   9  10.293  -1.934  10.719
   63   1HD   LYS   9          HD2       LYS   9  10.744  -0.470   8.603
   64   2HD   LYS   9          HD1       LYS   9  11.285   0.741   9.765
   65   1HE   LYS   9          HE2       LYS   9  12.793  -1.063  10.763
   66   2HE   LYS   9          HE1       LYS   9  12.411  -2.038   9.329
   67   1HZ   LYS   9          HZ1       LYS   9  13.393  -0.542   7.923
   68   2HZ   LYS   9          HZ2       LYS   9  14.396  -0.355   9.281
   69   3HZ   LYS   9          HZ3       LYS   9  13.167   0.775   8.968
   70    H    GLY  10           HN       GLY  10   7.278   1.123   8.110
   71   1HA   GLY  10          HA2       GLY  10   7.730   3.250   6.744
   72   2HA   GLY  10          HA1       GLY  10   9.435   2.890   7.026
   73    H    CYS  11           HN       CYS  11   8.332  -0.090   6.811
   74    HA   CYS  11           HA       CYS  11   9.072  -0.356   3.975
   75   1HB   CYS  11          HB2       CYS  11   8.160  -2.421   6.004
   76   2HB   CYS  11          HB1       CYS  11   9.057  -2.727   4.516
   77    H    LYS  12           HN       LYS  12   7.650  -1.830   2.586
   78    HA   LYS  12           HA       LYS  12   4.937  -0.762   2.495
   79   1HB   LYS  12          HB2       LYS  12   6.340  -2.969   0.950
   80   2HB   LYS  12          HB1       LYS  12   4.838  -2.177   0.469
   81   1HG   LYS  12          HG2       LYS  12   6.377   0.007   0.823
   82   2HG   LYS  12          HG1       LYS  12   7.631  -1.154   0.382
   83   1HD   LYS  12          HD2       LYS  12   5.184  -1.238  -1.284
   84   2HD   LYS  12          HD1       LYS  12   6.157   0.224  -1.442
   85   1HE   LYS  12          HE2       LYS  12   7.605  -2.395  -1.464
   86   2HE   LYS  12          HE1       LYS  12   6.696  -1.935  -2.918
   87   1HZ   LYS  12          HZ1       LYS  12   8.416   0.025  -1.537
   88   2HZ   LYS  12          HZ2       LYS  12   7.879   0.026  -3.149
   89   3HZ   LYS  12          HZ3       LYS  12   9.088  -1.060  -2.655
   90    H    LEU  13           HN       LEU  13   2.998  -1.971   2.841
   91    HA   LEU  13           HA       LEU  13   3.257  -4.167   4.778
   92   1HB   LEU  13          HB2       LEU  13   1.616  -2.188   4.797
   93   2HB   LEU  13          HB1       LEU  13   0.742  -3.052   3.531
   94    HG   LEU  13           HG       LEU  13   0.787  -5.076   5.114
   95   1HD1  LEU  13          HD11      LEU  13   2.225  -4.668   6.853
   96   2HD1  LEU  13          HD12      LEU  13   0.774  -3.976   7.577
   97   3HD1  LEU  13          HD13      LEU  13   1.958  -2.925   6.802
   98   1HD2  LEU  13          HD21      LEU  13  -0.783  -2.547   5.641
   99   2HD2  LEU  13          HD22      LEU  13  -1.109  -4.041   6.520
  100   3HD2  LEU  13          HD23      LEU  13  -1.298  -3.991   4.768
  101    H    SER  14           HN       SER  14   3.745  -6.149   3.866
  102    HA   SER  14           HA       SER  14   3.163  -7.010   1.234
  103   1HB   SER  14          HB2       SER  14   3.221  -8.765   3.699
  104   2HB   SER  14          HB1       SER  14   3.772  -9.168   2.076
  105    HG   SER  14           HG       SER  14   5.628  -8.548   2.880
  106    H    CYS  15           HN       CYS  15   1.397  -8.247   0.386
  107    HA   CYS  15           HA       CYS  15  -1.001  -8.506   2.158
  108   1HB   CYS  15          HB2       CYS  15  -2.348  -7.413   0.490
  109   2HB   CYS  15          HB1       CYS  15  -0.932  -6.393   0.743
  110    H    VAL  16           HN       VAL  16  -2.414 -10.221   1.555
  111    HA   VAL  16           HA       VAL  16  -1.374 -12.053  -0.585
  112    HB   VAL  16           HB       VAL  16  -1.026 -12.691   1.867
  113   1HG1  VAL  16          HG11      VAL  16  -3.179 -11.817   2.698
  114   2HG1  VAL  16          HG12      VAL  16  -3.025 -13.539   3.051
  115   3HG1  VAL  16          HG13      VAL  16  -4.042 -13.000   1.715
  116   1HG2  VAL  16          HG21      VAL  16  -0.832 -14.591   0.602
  117   2HG2  VAL  16          HG22      VAL  16  -2.339 -14.288  -0.264
  118   3HG2  VAL  16          HG23      VAL  16  -2.377 -14.993   1.352
  119    H    ALA  17           HN       ALA  17  -4.195 -10.809   1.164
  120    HA   ALA  17           HA       ALA  17  -5.956 -11.890  -1.010
  121   1HB   ALA  17          HB1       ALA  17  -7.527 -12.307   0.641
  122   2HB   ALA  17          HB2       ALA  17  -6.992 -10.949   1.632
  123   3HB   ALA  17          HB3       ALA  17  -6.060 -12.445   1.610
  124    H    ASN  18           HN       ASN  18  -7.070 -10.388  -2.217
  125    HA   ASN  18           HA       ASN  18  -6.457  -7.614  -2.142
  126   1HB   ASN  18          HB2       ASN  18  -8.689  -9.285  -3.308
  127   2HB   ASN  18          HB1       ASN  18  -8.595  -7.546  -3.588
  128   1HD2  ASN  18          HD21      ASN  18  -8.012 -10.137  -5.313
  129   2HD2  ASN  18          HD22      ASN  18  -6.538  -9.751  -6.061
  130    H    ASN  19           HN       ASN  19  -9.291  -9.384  -0.849
  131    HA   ASN  19           HA       ASN  19 -10.904  -7.302   0.037
  132   1HB   ASN  19          HB2       ASN  19 -11.591  -8.898   1.804
  133   2HB   ASN  19          HB1       ASN  19 -11.371  -9.718   0.261
  134   1HD2  ASN  19          HD21      ASN  19 -10.559  -9.890   3.518
  135   2HD2  ASN  19          HD22      ASN  19  -9.207 -10.909   3.399
  136    H    TYR  20           HN       TYR  20  -8.020  -8.617   1.689
  137    HA   TYR  20           HA       TYR  20  -8.093  -7.098   4.061
  138   1HB   TYR  20          HB2       TYR  20  -6.510  -8.909   3.607
  139   2HB   TYR  20          HB1       TYR  20  -5.767  -7.968   2.313
  140    HD1  TYR  20           HD1      TYR  20  -3.813  -6.813   2.827
  141    HD2  TYR  20           HD2      TYR  20  -6.687  -7.548   5.932
  142    HE1  TYR  20           HE1      TYR  20  -2.309  -5.728   4.475
  143    HE2  TYR  20           HE2      TYR  20  -5.184  -6.464   7.580
  144    HH   TYR  20           HH       TYR  20  -3.232  -5.474   7.913
  145    H    CYS  21           HN       CYS  21  -6.623  -6.236   0.911
  146    HA   CYS  21           HA       CYS  21  -5.865  -3.565   1.806
  147   1HB   CYS  21          HB2       CYS  21  -5.903  -5.137  -0.761
  148   2HB   CYS  21          HB1       CYS  21  -5.565  -3.407  -0.802
  149    H    ASP  22           HN       ASP  22  -8.579  -4.984   0.005
  150    HA   ASP  22           HA       ASP  22  -9.805  -2.752  -1.118
  151   1HB   ASP  22          HB2       ASP  22 -10.544  -5.172  -1.128
  152   2HB   ASP  22          HB1       ASP  22 -11.196  -4.917   0.491
  153    H    ASN  23           HN       ASN  23 -10.248  -3.904   2.250
  154    HA   ASN  23           HA       ASN  23 -11.774  -1.564   3.058
  155   1HB   ASN  23          HB2       ASN  23 -11.745  -3.953   4.015
  156   2HB   ASN  23          HB1       ASN  23 -10.237  -3.498   4.809
  157   1HD2  ASN  23          HD21      ASN  23 -13.724  -2.861   4.720
  158   2HD2  ASN  23          HD22      ASN  23 -13.778  -1.988   6.174
  159    H    GLN  24           HN       GLN  24  -8.414  -2.667   3.640
  160    HA   GLN  24           HA       GLN  24  -7.383  -0.673   5.247
  161   1HB   GLN  24          HB2       GLN  24  -6.145  -2.593   4.283
  162   2HB   GLN  24          HB1       GLN  24  -6.171  -1.810   2.702
  163   1HG   GLN  24          HG2       GLN  24  -4.024  -1.359   3.741
  164   2HG   GLN  24          HG1       GLN  24  -4.956   0.139   3.715
  165   1HE2  GLN  24          HE21      GLN  24  -5.560   1.072   5.733
  166   2HE2  GLN  24          HE22      GLN  24  -5.119   0.410   7.231
  167    H    CYS  25           HN       CYS  25  -7.263  -0.447   1.672
  168    HA   CYS  25           HA       CYS  25  -6.584   2.287   1.489
  169   1HB   CYS  25          HB2       CYS  25  -8.358   0.594  -0.301
  170   2HB   CYS  25          HB1       CYS  25  -7.492   2.048  -0.794
  171    H    LYS  26           HN       LYS  26  -9.862   0.851   1.211
  172    HA   LYS  26           HA       LYS  26 -11.477   3.079   1.036
  173   1HB   LYS  26          HB2       LYS  26 -11.959   0.528   1.357
  174   2HB   LYS  26          HB1       LYS  26 -12.037   0.925   3.073
  175   1HG   LYS  26          HG2       LYS  26 -13.678   2.793   2.383
  176   2HG   LYS  26          HG1       LYS  26 -13.790   1.950   0.837
  177   1HD   LYS  26          HD2       LYS  26 -15.126   0.358   1.711
  178   2HD   LYS  26          HD1       LYS  26 -14.025   0.096   3.063
  179   1HE   LYS  26          HE2       LYS  26 -15.207   2.605   3.567
  180   2HE   LYS  26          HE1       LYS  26 -16.534   1.556   3.032
  181   1HZ   LYS  26          HZ1       LYS  26 -16.303   0.212   4.798
  182   2HZ   LYS  26          HZ2       LYS  26 -15.501   1.528   5.513
  183   3HZ   LYS  26          HZ3       LYS  26 -14.608   0.285   4.778
  184    H    MET  27           HN       MET  27 -10.243   1.728   4.124
  185    HA   MET  27           HA       MET  27 -11.246   3.706   5.876
  186   1HB   MET  27          HB2       MET  27  -8.769   1.970   5.825
  187   2HB   MET  27          HB1       MET  27  -9.137   3.010   7.202
  188   1HG   MET  27          HG2       MET  27 -11.546   1.816   6.862
  189   2HG   MET  27          HG1       MET  27 -10.484   0.527   6.297
  190   1HE   MET  27          HE1       MET  27  -8.942  -1.057   8.352
  191   2HE   MET  27          HE2       MET  27  -7.892   0.216   8.968
  192   3HE   MET  27          HE3       MET  27  -8.327   0.193   7.261
  193    H    LYS  28           HN       LYS  28  -8.376   3.709   3.805
  194    HA   LYS  28           HA       LYS  28  -7.463   6.328   4.822
  195   1HB   LYS  28          HB2       LYS  28  -6.556   4.375   2.686
  196   2HB   LYS  28          HB1       LYS  28  -5.727   5.899   3.001
  197   1HG   LYS  28          HG2       LYS  28  -6.288   4.215   5.379
  198   2HG   LYS  28          HG1       LYS  28  -5.085   3.585   4.254
  199   1HD   LYS  28          HD2       LYS  28  -4.874   6.471   4.948
  200   2HD   LYS  28          HD1       LYS  28  -4.454   5.319   6.216
  201   1HE   LYS  28          HE2       LYS  28  -3.158   4.202   4.086
  202   2HE   LYS  28          HE1       LYS  28  -3.029   5.928   3.693
  203   1HZ   LYS  28          HZ1       LYS  28  -2.611   5.114   6.473
  204   2HZ   LYS  28          HZ2       LYS  28  -1.901   6.387   5.601
  205   3HZ   LYS  28          HZ3       LYS  28  -1.364   4.791   5.369
  206    H    LYS  29           HN       LYS  29 -10.124   6.154   3.530
  207    HA   LYS  29           HA       LYS  29 -11.377   7.166   1.800
  208   1HB   LYS  29          HB2       LYS  29 -10.076   8.945   3.302
  209   2HB   LYS  29          HB1       LYS  29  -9.272   9.291   1.769
  210   1HG   LYS  29          HG2       LYS  29 -12.182   9.010   1.509
  211   2HG   LYS  29          HG1       LYS  29 -11.704  10.342   2.561
  212   1HD   LYS  29          HD2       LYS  29 -10.603   9.883  -0.225
  213   2HD   LYS  29          HD1       LYS  29 -11.897  11.017   0.161
  214   1HE   LYS  29          HE2       LYS  29  -9.823  11.568   2.006
  215   2HE   LYS  29          HE1       LYS  29  -9.048  11.406   0.418
  216   1HZ   LYS  29          HZ1       LYS  29 -11.248  12.713  -0.262
  217   2HZ   LYS  29          HZ2       LYS  29  -9.811  13.508   0.170
  218   3HZ   LYS  29          HZ3       LYS  29 -11.056  13.319   1.311
  219    H    ALA  30           HN       ALA  30  -9.594   5.224   0.737
  220    HA   ALA  30           HA       ALA  30  -8.314   6.527  -1.614
  221   1HB   ALA  30          HB1       ALA  30  -6.831   4.878  -1.152
  222   2HB   ALA  30          HB2       ALA  30  -8.043   3.717  -1.696
  223   3HB   ALA  30          HB3       ALA  30  -7.941   4.150   0.010
  224    H    SER  31           HN       SER  31  -8.674   5.013  -3.706
  225    HA   SER  31           HA       SER  31 -11.632   4.556  -3.925
  226   1HB   SER  31          HB2       SER  31 -11.590   5.878  -5.772
  227   2HB   SER  31          HB1       SER  31 -10.016   6.412  -5.191
  228    HG   SER  31           HG       SER  31 -10.489   5.238  -7.435
  229    H    GLY  32           HN       GLY  32  -8.446   3.555  -5.211
  230   1HA   GLY  32          HA2       GLY  32  -9.689   0.936  -5.952
  231   2HA   GLY  32          HA1       GLY  32  -8.260   1.609  -6.739
  232    H    GLY  33           HN       GLY  33  -9.445   0.075  -3.791
  233   1HA   GLY  33          HA2       GLY  33  -6.627  -0.239  -2.862
  234   2HA   GLY  33          HA1       GLY  33  -8.051  -0.419  -1.839
  235    H    HIS  34           HN       HIS  34  -5.681  -2.164  -3.253
  236    HA   HIS  34           HA       HIS  34  -7.176  -4.679  -2.960
  237   1HB   HIS  34          HB2       HIS  34  -6.812  -5.351  -5.299
  238   2HB   HIS  34          HB1       HIS  34  -7.726  -3.842  -5.247
  239    HD1  HIS  34           HD1      HIS  34  -4.873  -5.293  -6.861
  240    HD2  HIS  34           HD2      HIS  34  -5.780  -1.491  -5.415
  241    HE1  HIS  34           HE1      HIS  34  -3.252  -3.697  -7.977
  242    H    CYS  35           HN       CYS  35  -5.605  -6.573  -3.443
  243    HA   CYS  35           HA       CYS  35  -2.929  -5.845  -2.368
  244   1HB   CYS  35          HB2       CYS  35  -4.088  -7.589  -1.207
  245   2HB   CYS  35          HB1       CYS  35  -4.514  -8.401  -2.713
  246    H    TYR  36           HN       TYR  36  -1.371  -5.457  -3.892
  247    HA   TYR  36           HA       TYR  36  -1.224  -7.281  -6.261
  248   1HB   TYR  36          HB2       TYR  36  -2.059  -4.579  -6.207
  249   2HB   TYR  36          HB1       TYR  36  -0.430  -4.570  -6.882
  250    HD1  TYR  36           HD1      TYR  36  -2.923  -7.325  -7.121
  251    HD2  TYR  36           HD2      TYR  36  -0.879  -4.161  -9.179
  252    HE1  TYR  36           HE1      TYR  36  -3.809  -8.161  -9.280
  253    HE2  TYR  36           HE2      TYR  36  -1.763  -4.996 -11.340
  254    HH   TYR  36           HH       TYR  36  -3.770  -7.935 -11.492
  255    H    ALA  37           HN       ALA  37   0.963  -7.320  -7.216
  256    HA   ALA  37           HA       ALA  37   3.302  -7.569  -6.947
  257   1HB   ALA  37          HB1       ALA  37   2.644  -4.822  -5.856
  258   2HB   ALA  37          HB2       ALA  37   3.193  -5.231  -7.482
  259   3HB   ALA  37          HB3       ALA  37   4.301  -5.367  -6.116
  260    H    MET  38           HN       MET  38   1.700  -8.715  -4.781
  261    HA   MET  38           HA       MET  38   2.045  -9.588  -2.608
  262   1HB   MET  38          HB2       MET  38   4.659  -8.972  -3.841
  263   2HB   MET  38          HB1       MET  38   4.700  -9.135  -2.085
  264   1HG   MET  38          HG2       MET  38   3.206 -11.181  -3.686
  265   2HG   MET  38          HG1       MET  38   4.966 -11.266  -3.629
  266   1HE   MET  38          HE1       MET  38   4.171 -13.504  -2.996
  267   2HE   MET  38          HE2       MET  38   2.685 -13.584  -2.053
  268   3HE   MET  38          HE3       MET  38   4.215 -14.042  -1.311
  269    H    SER  39           HN       SER  39   1.681  -6.498  -3.152
  270    HA   SER  39           HA       SER  39   2.175  -5.721  -0.312
  271   1HB   SER  39          HB2       SER  39   3.166  -4.383  -2.835
  272   2HB   SER  39          HB1       SER  39   3.029  -3.503  -1.315
  273    HG   SER  39           HG       SER  39   4.297  -5.992  -1.296
  274    H    CYS  40           HN       CYS  40   0.793  -3.929   0.366
  275    HA   CYS  40           HA       CYS  40  -1.805  -3.909  -0.961
  276   1HB   CYS  40          HB2       CYS  40  -0.999  -3.647   1.567
  277   2HB   CYS  40          HB1       CYS  40  -0.990  -1.935   1.142
  278    H    TYR  41           HN       TYR  41  -2.647  -2.300  -2.288
  279    HA   TYR  41           HA       TYR  41  -1.075   0.210  -2.679
  280   1HB   TYR  41          HB2       TYR  41  -0.283  -1.451  -4.312
  281   2HB   TYR  41          HB1       TYR  41  -1.941  -1.761  -4.822
  282    HD1  TYR  41           HD1      TYR  41  -2.658  -0.692  -6.753
  283    HD2  TYR  41           HD2      TYR  41   0.325   1.194  -4.307
  284    HE1  TYR  41           HE1      TYR  41  -2.514   1.182  -8.373
  285    HE2  TYR  41           HE2      TYR  41   0.469   3.067  -5.927
  286    HH   TYR  41           HH       TYR  41  -0.028   3.322  -8.488
  287    H    CYS  42           HN       CYS  42  -2.506   1.904  -2.626
  288    HA   CYS  42           HA       CYS  42  -5.373   1.332  -3.294
  289   1HB   CYS  42          HB2       CYS  42  -4.272   3.593  -1.607
  290   2HB   CYS  42          HB1       CYS  42  -5.924   2.983  -1.651
  291    H    GLU  43           HN       GLU  43  -6.472   2.835  -4.629
  292    HA   GLU  43           HA       GLU  43  -4.692   4.693  -6.167
  293   1HB   GLU  43          HB2       GLU  43  -5.922   2.609  -7.158
  294   2HB   GLU  43          HB1       GLU  43  -7.365   3.617  -7.054
  295   1HG   GLU  43          HG2       GLU  43  -6.762   4.484  -9.047
  296   2HG   GLU  43          HG1       GLU  43  -5.457   5.302  -8.189
  297    H    GLY  44           HN       GLY  44  -5.031   6.579  -4.849
  298   1HA   GLY  44          HA2       GLY  44  -6.717   8.531  -5.324
  299   2HA   GLY  44          HA1       GLY  44  -7.858   7.459  -4.514
  300    H    LEU  45           HN       LEU  45  -5.050   6.790  -3.006
  301    HA   LEU  45           HA       LEU  45  -5.603   7.753  -0.488
  302   1HB   LEU  45          HB2       LEU  45  -3.039   7.388  -2.031
  303   2HB   LEU  45          HB1       LEU  45  -2.997   7.910  -0.347
  304    HG   LEU  45           HG       LEU  45  -4.496   5.451  -1.282
  305   1HD1  LEU  45          HD11      LEU  45  -1.861   5.563  -1.520
  306   2HD1  LEU  45          HD12      LEU  45  -2.634   4.131  -0.839
  307   3HD1  LEU  45          HD13      LEU  45  -1.909   5.333   0.229
  308   1HD2  LEU  45          HD21      LEU  45  -5.300   6.343   0.827
  309   2HD2  LEU  45          HD22      LEU  45  -3.651   6.523   1.427
  310   3HD2  LEU  45          HD23      LEU  45  -4.326   4.914   1.175
  311    HA   PRO  46           HA       PRO  46  -5.264  12.136  -0.580
  312   1HB   PRO  46          HB2       PRO  46  -4.315  12.654   1.931
  313   2HB   PRO  46          HB1       PRO  46  -5.978  12.119   1.622
  314   1HG   PRO  46          HG2       PRO  46  -3.645  10.569   2.602
  315   2HG   PRO  46          HG1       PRO  46  -5.354  10.437   3.040
  316   1HD   PRO  46          HD2       PRO  46  -4.057   8.726   1.324
  317   2HD   PRO  46          HD1       PRO  46  -5.812   9.012   1.320
  318    H    GLU  47           HN       GLU  47  -3.656  13.907  -0.547
  319    HA   GLU  47           HA       GLU  47  -1.121  13.216  -1.650
  320   1HB   GLU  47          HB2       GLU  47  -2.414  15.355  -1.883
  321   2HB   GLU  47          HB1       GLU  47  -1.979  15.751  -0.219
  322   1HG   GLU  47          HG2       GLU  47   0.205  15.010  -2.128
  323   2HG   GLU  47          HG1       GLU  47  -0.504  16.621  -2.244
  324    H    ASN  48           HN       ASN  48  -2.175  13.671   1.677
  325    HA   ASN  48           HA       ASN  48   0.624  13.676   2.667
  326   1HB   ASN  48          HB2       ASN  48  -0.585  14.039   4.855
  327   2HB   ASN  48          HB1       ASN  48  -0.935  15.258   3.631
  328   1HD2  ASN  48          HD21      ASN  48  -3.049  15.679   4.661
  329   2HD2  ASN  48          HD22      ASN  48  -4.334  14.587   4.465
  330    H    ALA  49           HN       ALA  49  -1.046  11.245   1.494
  331    HA   ALA  49           HA       ALA  49  -1.440   9.382   3.630
  332   1HB   ALA  49          HB1       ALA  49  -2.175   9.358   1.150
  333   2HB   ALA  49          HB2       ALA  49  -1.688   7.819   1.862
  334   3HB   ALA  49          HB3       ALA  49  -0.572   8.702   0.819
  335    H    LYS  50           HN       LYS  50  -0.052   7.621   4.265
  336    HA   LYS  50           HA       LYS  50   2.843   8.302   4.118
  337   1HB   LYS  50          HB2       LYS  50   1.815   7.999   6.314
  338   2HB   LYS  50          HB1       LYS  50   1.192   6.420   5.835
  339   1HG   LYS  50          HG2       LYS  50   3.228   5.397   6.056
  340   2HG   LYS  50          HG1       LYS  50   4.117   6.822   5.520
  341   1HD   LYS  50          HD2       LYS  50   4.631   6.578   7.839
  342   2HD   LYS  50          HD1       LYS  50   3.464   7.898   7.744
  343   1HE   LYS  50          HE2       LYS  50   2.211   6.743   9.244
  344   2HE   LYS  50          HE1       LYS  50   1.901   5.565   7.952
  345   1HZ   LYS  50          HZ1       LYS  50   2.955   4.242   9.479
  346   2HZ   LYS  50          HZ2       LYS  50   3.927   5.499  10.079
  347   3HZ   LYS  50          HZ3       LYS  50   4.293   4.776   8.585
  348    H    VAL  51           HN       VAL  51   3.026   7.479   1.867
  349    HA   VAL  51           HA       VAL  51   3.212   4.488   1.808
  350    HB   VAL  51           HB       VAL  51   2.312   4.614  -0.489
  351   1HG1  VAL  51          HG11      VAL  51   0.164   6.143   0.575
  352   2HG1  VAL  51          HG12      VAL  51   0.896   5.274   1.923
  353   3HG1  VAL  51          HG13      VAL  51   0.312   4.387   0.516
  354   1HG2  VAL  51          HG21      VAL  51   1.898   7.564   0.072
  355   2HG2  VAL  51          HG22      VAL  51   1.558   6.707  -1.431
  356   3HG2  VAL  51          HG23      VAL  51   3.226   6.939  -0.905
  357    H    SER  52           HN       SER  52   4.657   3.795  -0.095
  358    HA   SER  52           HA       SER  52   7.114   5.436  -0.066
  359   1HB   SER  52          HB2       SER  52   6.962   2.915   0.270
  360   2HB   SER  52          HB1       SER  52   6.543   2.792  -1.436
  361    HG   SER  52           HG       SER  52   8.528   3.436  -1.984
  362    H    ASP  53           HN       ASP  53   8.167   6.088  -2.084
  363    HA   ASP  53           HA       ASP  53   6.245   6.381  -4.373
  364   1HB   ASP  53          HB2       ASP  53   7.764   8.464  -4.780
  365   2HB   ASP  53          HB1       ASP  53   6.596   8.529  -3.460
  366    H    SER  54           HN       SER  54   7.870   4.084  -4.230
  367    HA   SER  54           HA       SER  54   9.519   4.443  -6.652
  368   1HB   SER  54          HB2       SER  54  11.545   3.595  -5.515
  369   2HB   SER  54          HB1       SER  54  10.979   5.079  -4.755
  370    HG   SER  54           HG       SER  54  10.060   2.588  -3.831
  371    H    ALA  55           HN       ALA  55   9.096   2.658  -7.894
  372    HA   ALA  55           HA       ALA  55   7.875   0.273  -6.646
  373   1HB   ALA  55          HB1       ALA  55   7.133   1.498  -8.781
  374   2HB   ALA  55          HB2       ALA  55   7.262  -0.258  -8.891
  375   3HB   ALA  55          HB3       ALA  55   8.537   0.764  -9.557
  376    H    THR  56           HN       THR  56  10.971   1.191  -6.836
  377    HA   THR  56           HA       THR  56  11.930  -1.610  -7.275
  378    HB   THR  56           HB       THR  56  13.791  -0.696  -8.599
  379    HG1  THR  56           HG1      THR  56  12.634   1.796  -8.811
  380   1HG2  THR  56          HG21      THR  56  11.085  -0.786  -9.373
  381   2HG2  THR  56          HG22      THR  56  12.496  -0.846 -10.429
  382   3HG2  THR  56          HG23      THR  56  11.730   0.701 -10.069
  383    H    ASN  57           HN       ASN  57  11.746  -1.233  -4.765
  384    HA   ASN  57           HA       ASN  57  14.454  -0.619  -3.786
  385   1HB   ASN  57          HB2       ASN  57  13.763   1.195  -2.357
  386   2HB   ASN  57          HB1       ASN  57  13.155   1.558  -3.973
  387   1HD2  ASN  57          HD21      ASN  57  11.930   2.635  -1.588
  388   2HD2  ASN  57          HD22      ASN  57  10.373   1.969  -1.456
  389    H    ILE  58           HN       ILE  58  14.746  -1.369  -1.574
  390    HA   ILE  58           HA       ILE  58  12.553  -3.186  -0.623
  391    HB   ILE  58           HB       ILE  58  14.739  -4.112  -1.657
  392   1HG1  ILE  58          HG12      ILE  58  14.861  -5.478   0.802
  393   2HG1  ILE  58          HG11      ILE  58  13.198  -4.906   0.665
  394   1HG2  ILE  58          HG21      ILE  58  16.019  -3.851   0.993
  395   2HG2  ILE  58          HG22      ILE  58  15.928  -2.350   0.071
  396   3HG2  ILE  58          HG23      ILE  58  16.734  -3.761  -0.616
  397   1HD1  ILE  58          HD11      ILE  58  12.901  -5.991  -1.448
  398   2HD1  ILE  58          HD12      ILE  58  13.662  -7.178  -0.388
  399   3HD1  ILE  58          HD13      ILE  58  14.627  -6.323  -1.592
  400    H    CYS  59           HN       CYS  59  12.230  -3.260   1.664
  401    HA   CYS  59           HA       CYS  59  13.665  -1.132   3.222
  402   1HB   CYS  59          HB2       CYS  59  11.328  -0.579   2.630
  403   2HB   CYS  59          HB1       CYS  59  10.784  -2.079   3.380
  404    H    GLY  60           HN       GLY  60  13.741  -1.610   5.600
  405   1HA   GLY  60          HA2       GLY  60  13.138  -3.552   7.230
  406   2HA   GLY  60          HA1       GLY  60  14.008  -4.546   6.060
  Start of MODEL   14
    1   1H    LYS   1          HT1       LYS   1  -3.999  10.907  -2.627
    2   2H    LYS   1          HT2       LYS   1  -5.085   9.873  -3.424
    3   3H    LYS   1          HT3       LYS   1  -4.710  11.391  -4.088
    4    HA   LYS   1           HA       LYS   1  -3.265  10.225  -5.355
    5   1HB   LYS   1          HB2       LYS   1  -1.087  10.341  -4.313
    6   2HB   LYS   1          HB1       LYS   1  -2.051  11.659  -3.649
    7   1HG   LYS   1          HG2       LYS   1  -2.421  10.504  -1.605
    8   2HG   LYS   1          HG1       LYS   1  -1.883   8.968  -2.284
    9   1HD   LYS   1          HD2       LYS   1   0.345  10.437  -2.701
   10   2HD   LYS   1          HD1       LYS   1  -0.276  11.250  -1.265
   11   1HE   LYS   1          HE2       LYS   1  -0.574   8.813  -0.329
   12   2HE   LYS   1          HE1       LYS   1   0.619   8.394  -1.574
   13   1HZ   LYS   1          HZ1       LYS   1   2.195   9.781  -0.672
   14   2HZ   LYS   1          HZ2       LYS   1   1.426   9.229   0.738
   15   3HZ   LYS   1          HZ3       LYS   1   1.057  10.765   0.111
   16    H    ASP   2           HN       ASP   2  -2.408   8.157  -5.922
   17    HA   ASP   2           HA       ASP   2  -3.307   5.913  -4.150
   18   1HB   ASP   2          HB2       ASP   2  -2.539   5.744  -7.068
   19   2HB   ASP   2          HB1       ASP   2  -3.616   4.687  -6.157
   20    H    GLY   3           HN       GLY   3  -1.765   4.323  -3.552
   21   1HA   GLY   3          HA2       GLY   3   0.833   4.132  -4.805
   22   2HA   GLY   3          HA1       GLY   3   0.938   5.047  -3.303
   23    H    TYR   4           HN       TYR   4   2.387   3.017  -2.957
   24    HA   TYR   4           HA       TYR   4   0.774   0.698  -1.974
   25   1HB   TYR   4          HB2       TYR   4   3.739   1.072  -2.519
   26   2HB   TYR   4          HB1       TYR   4   2.973  -0.448  -2.060
   27    HD1  TYR   4           HD1      TYR   4   1.646  -1.718  -3.631
   28    HD2  TYR   4           HD2      TYR   4   3.284   2.100  -4.722
   29    HE1  TYR   4           HE1      TYR   4   1.110  -2.168  -6.010
   30    HE2  TYR   4           HE2      TYR   4   2.746   1.651  -7.101
   31    HH   TYR   4           HH       TYR   4   2.337  -1.016  -8.416
   32    HA   PRO   5           HA       PRO   5   1.611   2.481   2.051
   33   1HB   PRO   5          HB2       PRO   5   0.267   0.568   3.476
   34   2HB   PRO   5          HB1       PRO   5  -0.548   1.908   2.645
   35   1HG   PRO   5          HG2       PRO   5  -0.213  -0.926   1.785
   36   2HG   PRO   5          HG1       PRO   5  -1.617   0.142   1.627
   37   1HD   PRO   5          HD2       PRO   5   0.069  -0.388  -0.432
   38   2HD   PRO   5          HD1       PRO   5  -0.806   1.151  -0.271
   39    H    VAL   6           HN       VAL   6   3.261   2.036   3.511
   40    HA   VAL   6           HA       VAL   6   4.582  -0.652   3.286
   41    HB   VAL   6           HB       VAL   6   6.642   0.705   3.909
   42   1HG1  VAL   6          HG11      VAL   6   6.841   0.462   1.669
   43   2HG1  VAL   6          HG12      VAL   6   6.210   2.104   1.549
   44   3HG1  VAL   6          HG13      VAL   6   5.116   0.727   1.411
   45   1HG2  VAL   6          HG21      VAL   6   5.114   2.586   4.843
   46   2HG2  VAL   6          HG22      VAL   6   4.963   3.100   3.163
   47   3HG2  VAL   6          HG23      VAL   6   6.548   3.067   3.935
   48    H    ASP   7           HN       ASP   7   5.943  -1.098   5.356
   49    HA   ASP   7           HA       ASP   7   4.151  -0.754   7.686
   50   1HB   ASP   7          HB2       ASP   7   5.802  -2.403   8.669
   51   2HB   ASP   7          HB1       ASP   7   5.013  -2.961   7.194
   52    H    SER   8           HN       SER   8   6.068  -0.868   9.743
   53    HA   SER   8           HA       SER   8   6.754   1.907  10.063
   54   1HB   SER   8          HB2       SER   8   7.451   1.191  12.191
   55   2HB   SER   8          HB1       SER   8   6.274  -0.041  11.745
   56    HG   SER   8           HG       SER   8   8.584  -0.588  12.513
   57    H    LYS   9           HN       LYS   9   8.279  -0.505   8.242
   58    HA   LYS   9           HA       LYS   9  10.993   0.693   8.607
   59   1HB   LYS   9          HB2       LYS   9  10.610  -1.784   8.792
   60   2HB   LYS   9          HB1       LYS   9  10.091  -1.786   7.106
   61   1HG   LYS   9          HG2       LYS   9  12.223  -1.762   6.373
   62   2HG   LYS   9          HG1       LYS   9  12.620  -0.391   7.409
   63   1HD   LYS   9          HD2       LYS   9  13.991  -1.995   8.355
   64   2HD   LYS   9          HD1       LYS   9  12.530  -2.260   9.308
   65   1HE   LYS   9          HE2       LYS   9  12.463  -3.751   6.793
   66   2HE   LYS   9          HE1       LYS   9  13.847  -4.205   7.808
   67   1HZ   LYS   9          HZ1       LYS   9  12.183  -5.455   8.751
   68   2HZ   LYS   9          HZ2       LYS   9  10.975  -4.303   8.433
   69   3HZ   LYS   9          HZ3       LYS   9  12.084  -4.049   9.694
   70    H    GLY  10           HN       GLY  10   8.306   0.546   6.418
   71   1HA   GLY  10          HA2       GLY  10   8.105   2.137   4.591
   72   2HA   GLY  10          HA1       GLY  10   9.865   2.167   4.467
   73    H    CYS  11           HN       CYS  11   8.425  -0.934   4.888
   74    HA   CYS  11           HA       CYS  11   9.212  -1.662   2.116
   75   1HB   CYS  11          HB2       CYS  11   8.258  -3.414   4.398
   76   2HB   CYS  11          HB1       CYS  11   9.201  -3.906   2.992
   77    H    LYS  12           HN       LYS  12   7.694  -2.246   0.572
   78    HA   LYS  12           HA       LYS  12   5.050  -1.450   0.557
   79   1HB   LYS  12          HB2       LYS  12   6.372  -3.901  -0.644
   80   2HB   LYS  12          HB1       LYS  12   4.769  -3.336  -1.119
   81   1HG   LYS  12          HG2       LYS  12   6.800  -1.212  -1.099
   82   2HG   LYS  12          HG1       LYS  12   7.138  -2.499  -2.257
   83   1HD   LYS  12          HD2       LYS  12   4.344  -1.906  -2.390
   84   2HD   LYS  12          HD1       LYS  12   5.230  -0.384  -2.483
   85   1HE   LYS  12          HE2       LYS  12   6.175  -2.721  -4.128
   86   2HE   LYS  12          HE1       LYS  12   4.807  -1.742  -4.698
   87   1HZ   LYS  12          HZ1       LYS  12   6.456   0.161  -3.850
   88   2HZ   LYS  12          HZ2       LYS  12   6.449  -0.408  -5.451
   89   3HZ   LYS  12          HZ3       LYS  12   7.597  -0.994  -4.343
   90    H    LEU  13           HN       LEU  13   3.037  -2.423   1.140
   91    HA   LEU  13           HA       LEU  13   3.155  -4.218   3.459
   92   1HB   LEU  13          HB2       LEU  13   1.628  -2.159   2.928
   93   2HB   LEU  13          HB1       LEU  13   0.676  -3.319   2.001
   94    HG   LEU  13           HG       LEU  13   0.845  -4.776   4.183
   95   1HD1  LEU  13          HD11      LEU  13   1.717  -2.043   5.032
   96   2HD1  LEU  13          HD12      LEU  13   2.231  -3.620   5.631
   97   3HD1  LEU  13          HD13      LEU  13   0.673  -2.955   6.122
   98   1HD2  LEU  13          HD21      LEU  13  -0.906  -2.311   4.296
   99   2HD2  LEU  13          HD22      LEU  13  -1.283  -3.941   4.855
  100   3HD2  LEU  13          HD23      LEU  13  -1.189  -3.601   3.127
  101    H    SER  14           HN       SER  14   3.850  -6.265   2.594
  102    HA   SER  14           HA       SER  14   3.019  -7.599   0.294
  103   1HB   SER  14          HB2       SER  14   3.706  -8.431   3.102
  104   2HB   SER  14          HB1       SER  14   3.217  -9.656   1.935
  105    HG   SER  14           HG       SER  14   4.874  -8.360   0.575
  106    H    CYS  15           HN       CYS  15   0.995  -8.185  -0.432
  107    HA   CYS  15           HA       CYS  15  -1.185  -8.447   1.618
  108   1HB   CYS  15          HB2       CYS  15  -2.646  -7.746  -0.311
  109   2HB   CYS  15          HB1       CYS  15  -1.454  -6.531   0.152
  110    H    VAL  16           HN       VAL  16  -2.346 -10.353   1.633
  111    HA   VAL  16           HA       VAL  16  -1.634 -12.407  -0.430
  112    HB   VAL  16           HB       VAL  16  -1.067 -12.857   1.950
  113   1HG1  VAL  16          HG11      VAL  16  -2.802 -11.540   3.032
  114   2HG1  VAL  16          HG12      VAL  16  -2.978 -13.222   3.534
  115   3HG1  VAL  16          HG13      VAL  16  -4.062 -12.546   2.318
  116   1HG2  VAL  16          HG21      VAL  16  -3.407 -14.605   1.173
  117   2HG2  VAL  16          HG22      VAL  16  -1.917 -15.073   1.993
  118   3HG2  VAL  16          HG23      VAL  16  -1.887 -14.652   0.281
  119    H    ALA  17           HN       ALA  17  -4.095 -10.300   0.525
  120    HA   ALA  17           HA       ALA  17  -6.055 -11.684  -1.202
  121   1HB   ALA  17          HB1       ALA  17  -6.431 -11.149   1.762
  122   2HB   ALA  17          HB2       ALA  17  -6.412 -12.723   0.967
  123   3HB   ALA  17          HB3       ALA  17  -7.743 -11.603   0.675
  124    H    ASN  18           HN       ASN  18  -8.063 -10.242  -1.420
  125    HA   ASN  18           HA       ASN  18  -7.202  -7.448  -1.739
  126   1HB   ASN  18          HB2       ASN  18  -9.610  -9.130  -2.429
  127   2HB   ASN  18          HB1       ASN  18  -9.644  -7.378  -2.644
  128   1HD2  ASN  18          HD21      ASN  18  -9.876  -8.556  -5.013
  129   2HD2  ASN  18          HD22      ASN  18  -8.412  -8.631  -5.868
  130    H    ASN  19           HN       ASN  19  -9.661  -9.230   0.152
  131    HA   ASN  19           HA       ASN  19 -10.933  -7.027   1.392
  132   1HB   ASN  19          HB2       ASN  19 -11.735  -8.678   2.928
  133   2HB   ASN  19          HB1       ASN  19 -11.479  -9.536   1.409
  134   1HD2  ASN  19          HD21      ASN  19 -11.330 -10.531   4.290
  135   2HD2  ASN  19          HD22      ASN  19  -9.794 -11.244   4.416
  136    H    TYR  20           HN       TYR  20  -7.803  -8.498   2.025
  137    HA   TYR  20           HA       TYR  20  -7.371  -7.390   4.652
  138   1HB   TYR  20          HB2       TYR  20  -6.031  -9.221   3.891
  139   2HB   TYR  20          HB1       TYR  20  -5.595  -8.375   2.405
  140    HD1  TYR  20           HD1      TYR  20  -4.878  -8.798   5.958
  141    HD2  TYR  20           HD2      TYR  20  -4.058  -6.412   2.482
  142    HE1  TYR  20           HE1      TYR  20  -2.897  -7.829   7.091
  143    HE2  TYR  20           HE2      TYR  20  -2.076  -5.444   3.615
  144    HH   TYR  20           HH       TYR  20  -0.504  -6.606   5.880
  145    H    CYS  21           HN       CYS  21  -6.278  -6.324   1.406
  146    HA   CYS  21           HA       CYS  21  -5.127  -3.844   2.356
  147   1HB   CYS  21          HB2       CYS  21  -5.891  -5.111  -0.257
  148   2HB   CYS  21          HB1       CYS  21  -5.466  -3.399  -0.237
  149    H    ASP  22           HN       ASP  22  -8.267  -4.757   0.954
  150    HA   ASP  22           HA       ASP  22  -9.448  -2.257   0.527
  151   1HB   ASP  22          HB2       ASP  22 -10.304  -4.678   0.208
  152   2HB   ASP  22          HB1       ASP  22 -10.841  -4.573   1.885
  153    H    ASN  23           HN       ASN  23  -9.494  -4.131   3.592
  154    HA   ASN  23           HA       ASN  23 -10.742  -2.077   5.163
  155   1HB   ASN  23          HB2       ASN  23 -10.685  -4.409   5.841
  156   2HB   ASN  23          HB1       ASN  23  -8.921  -4.413   5.827
  157   1HD2  ASN  23          HD21      ASN  23  -7.819  -3.546   7.664
  158   2HD2  ASN  23          HD22      ASN  23  -8.628  -2.976   9.043
  159    H    GLN  24           HN       GLN  24  -7.309  -2.990   4.719
  160    HA   GLN  24           HA       GLN  24  -6.157  -1.044   6.448
  161   1HB   GLN  24          HB2       GLN  24  -5.026  -3.005   5.405
  162   2HB   GLN  24          HB1       GLN  24  -5.124  -2.204   3.837
  163   1HG   GLN  24          HG2       GLN  24  -2.916  -1.807   4.766
  164   2HG   GLN  24          HG1       GLN  24  -3.817  -0.291   4.797
  165   1HE2  GLN  24          HE21      GLN  24  -3.473   0.784   6.739
  166   2HE2  GLN  24          HE22      GLN  24  -3.314   0.039   8.256
  167    H    CYS  25           HN       CYS  25  -6.401  -0.893   2.872
  168    HA   CYS  25           HA       CYS  25  -5.644   1.775   2.483
  169   1HB   CYS  25          HB2       CYS  25  -7.746   0.065   1.114
  170   2HB   CYS  25          HB1       CYS  25  -7.108   1.565   0.440
  171    H    LYS  26           HN       LYS  26  -8.971   0.540   2.990
  172    HA   LYS  26           HA       LYS  26 -10.474   2.859   2.955
  173   1HB   LYS  26          HB2       LYS  26 -11.052   0.397   3.531
  174   2HB   LYS  26          HB1       LYS  26 -10.684   0.844   5.197
  175   1HG   LYS  26          HG2       LYS  26 -12.975   1.276   5.097
  176   2HG   LYS  26          HG1       LYS  26 -12.301   2.861   4.713
  177   1HD   LYS  26          HD2       LYS  26 -13.718   2.703   2.920
  178   2HD   LYS  26          HD1       LYS  26 -12.375   1.790   2.231
  179   1HE   LYS  26          HE2       LYS  26 -13.541  -0.252   3.465
  180   2HE   LYS  26          HE1       LYS  26 -14.978   0.781   3.327
  181   1HZ   LYS  26          HZ1       LYS  26 -13.129   0.118   1.095
  182   2HZ   LYS  26          HZ2       LYS  26 -14.534   1.066   0.983
  183   3HZ   LYS  26          HZ3       LYS  26 -14.650  -0.592   1.336
  184    H    MET  27           HN       MET  27  -8.971   1.595   5.963
  185    HA   MET  27           HA       MET  27  -9.400   3.759   7.660
  186   1HB   MET  27          HB2       MET  27  -7.120   1.819   7.276
  187   2HB   MET  27          HB1       MET  27  -7.077   3.008   8.578
  188   1HG   MET  27          HG2       MET  27  -9.355   2.162   9.292
  189   2HG   MET  27          HG1       MET  27  -9.154   0.851   8.131
  190   1HE   MET  27          HE1       MET  27  -5.804  -0.703   9.213
  191   2HE   MET  27          HE2       MET  27  -5.566   1.002   8.836
  192   3HE   MET  27          HE3       MET  27  -6.677   0.040   7.866
  193    H    LYS  28           HN       LYS  28  -6.937   3.431   5.118
  194    HA   LYS  28           HA       LYS  28  -5.696   6.017   5.777
  195   1HB   LYS  28          HB2       LYS  28  -5.358   3.837   3.726
  196   2HB   LYS  28          HB1       LYS  28  -4.524   5.379   3.524
  197   1HG   LYS  28          HG2       LYS  28  -4.282   4.365   6.248
  198   2HG   LYS  28          HG1       LYS  28  -3.638   3.229   5.062
  199   1HD   LYS  28          HD2       LYS  28  -2.091   4.804   4.218
  200   2HD   LYS  28          HD1       LYS  28  -2.948   6.163   4.946
  201   1HE   LYS  28          HE2       LYS  28  -2.088   4.167   6.926
  202   2HE   LYS  28          HE1       LYS  28  -0.739   4.930   6.061
  203   1HZ   LYS  28          HZ1       LYS  28  -1.270   6.398   7.804
  204   2HZ   LYS  28          HZ2       LYS  28  -2.942   6.255   7.538
  205   3HZ   LYS  28          HZ3       LYS  28  -1.969   7.088   6.422
  206    H    LYS  29           HN       LYS  29  -8.483   6.294   5.222
  207    HA   LYS  29           HA       LYS  29 -10.008   7.386   3.769
  208   1HB   LYS  29          HB2       LYS  29  -8.159   9.004   4.711
  209   2HB   LYS  29          HB1       LYS  29  -7.620   9.057   3.031
  210   1HG   LYS  29          HG2       LYS  29  -9.360  10.356   2.413
  211   2HG   LYS  29          HG1       LYS  29 -10.518   9.341   3.273
  212   1HD   LYS  29          HD2       LYS  29  -8.722  11.405   4.580
  213   2HD   LYS  29          HD1       LYS  29 -10.428  11.647   4.203
  214   1HE   LYS  29          HE2       LYS  29 -11.051  10.554   6.089
  215   2HE   LYS  29          HE1       LYS  29 -10.039   9.159   5.664
  216   1HZ   LYS  29          HZ1       LYS  29  -9.247  10.261   7.688
  217   2HZ   LYS  29          HZ2       LYS  29  -9.041  11.708   6.823
  218   3HZ   LYS  29          HZ3       LYS  29  -8.099  10.347   6.442
  219    H    ALA  30           HN       ALA  30  -8.520   5.125   2.509
  220    HA   ALA  30           HA       ALA  30  -8.032   6.089  -0.258
  221   1HB   ALA  30          HB1       ALA  30  -7.105   3.880  -0.571
  222   2HB   ALA  30          HB2       ALA  30  -7.877   3.290   0.901
  223   3HB   ALA  30          HB3       ALA  30  -6.553   4.452   1.003
  224    H    SER  31           HN       SER  31  -9.095   4.777  -2.048
  225    HA   SER  31           HA       SER  31 -11.912   4.074  -1.284
  226   1HB   SER  31          HB2       SER  31 -12.596   5.354  -3.057
  227   2HB   SER  31          HB1       SER  31 -11.020   6.114  -2.856
  228    HG   SER  31           HG       SER  31 -10.508   5.339  -4.730
  229    H    GLY  32           HN       GLY  32  -9.190   3.288  -3.447
  230   1HA   GLY  32          HA2       GLY  32 -10.512   0.661  -3.998
  231   2HA   GLY  32          HA1       GLY  32  -9.377   1.439  -5.102
  232    H    GLY  33           HN       GLY  33  -9.653  -0.248  -2.014
  233   1HA   GLY  33          HA2       GLY  33  -6.685  -0.493  -1.913
  234   2HA   GLY  33          HA1       GLY  33  -7.773  -0.822  -0.566
  235    H    HIS  34           HN       HIS  34  -5.948  -2.263  -2.965
  236    HA   HIS  34           HA       HIS  34  -7.276  -4.880  -2.466
  237   1HB   HIS  34          HB2       HIS  34  -7.116  -5.261  -4.986
  238   2HB   HIS  34          HB1       HIS  34  -8.321  -4.081  -4.472
  239    HD1  HIS  34           HD1      HIS  34  -7.945  -1.625  -5.103
  240    HD2  HIS  34           HD2      HIS  34  -4.782  -4.100  -6.224
  241    HE1  HIS  34           HE1      HIS  34  -6.455  -0.243  -6.616
  242    H    CYS  35           HN       CYS  35  -5.795  -6.567  -3.883
  243    HA   CYS  35           HA       CYS  35  -2.970  -5.935  -3.102
  244   1HB   CYS  35          HB2       CYS  35  -4.028  -7.758  -1.866
  245   2HB   CYS  35          HB1       CYS  35  -4.505  -8.539  -3.374
  246    H    TYR  36           HN       TYR  36  -1.810  -5.380  -4.907
  247    HA   TYR  36           HA       TYR  36  -2.231  -6.996  -7.403
  248   1HB   TYR  36          HB2       TYR  36  -2.884  -4.398  -7.096
  249   2HB   TYR  36          HB1       TYR  36  -1.181  -4.205  -7.514
  250    HD1  TYR  36           HD1      TYR  36  -3.620  -6.807  -8.644
  251    HD2  TYR  36           HD2      TYR  36  -1.180  -3.447  -9.746
  252    HE1  TYR  36           HE1      TYR  36  -4.154  -7.202 -11.034
  253    HE2  TYR  36           HE2      TYR  36  -1.715  -3.843 -12.135
  254    HH   TYR  36           HH       TYR  36  -3.607  -6.662 -13.153
  255    H    ALA  37           HN       ALA  37  -0.319  -7.760  -8.363
  256    HA   ALA  37           HA       ALA  37   1.968  -8.370  -8.451
  257   1HB   ALA  37          HB1       ALA  37   1.977  -5.950  -9.114
  258   2HB   ALA  37          HB2       ALA  37   3.465  -6.437  -8.302
  259   3HB   ALA  37          HB3       ALA  37   2.239  -5.524  -7.422
  260    H    MET  38           HN       MET  38   0.496  -8.941  -5.985
  261    HA   MET  38           HA       MET  38   0.954  -9.718  -3.805
  262   1HB   MET  38          HB2       MET  38   3.799  -9.311  -4.789
  263   2HB   MET  38          HB1       MET  38   3.319 -10.303  -3.414
  264   1HG   MET  38          HG2       MET  38   2.068 -10.810  -6.095
  265   2HG   MET  38          HG1       MET  38   3.685 -11.430  -5.763
  266   1HE   MET  38          HE1       MET  38   3.671 -13.881  -3.325
  267   2HE   MET  38          HE2       MET  38   4.367 -12.957  -4.654
  268   3HE   MET  38          HE3       MET  38   3.371 -14.369  -4.999
  269    H    SER  39           HN       SER  39   1.244  -6.636  -4.704
  270    HA   SER  39           HA       SER  39   2.312  -5.745  -2.044
  271   1HB   SER  39          HB2       SER  39   2.626  -4.740  -4.856
  272   2HB   SER  39          HB1       SER  39   2.727  -3.593  -3.524
  273    HG   SER  39           HG       SER  39   4.738  -4.288  -3.554
  274    H    CYS  40           HN       CYS  40   0.953  -4.413  -0.867
  275    HA   CYS  40           HA       CYS  40  -1.819  -4.170  -1.580
  276   1HB   CYS  40          HB2       CYS  40  -0.531  -4.133   0.700
  277   2HB   CYS  40          HB1       CYS  40  -0.381  -2.403   0.391
  278    H    TYR  41           HN       TYR  41  -2.966  -2.361  -2.372
  279    HA   TYR  41           HA       TYR  41  -1.428   0.095  -3.068
  280   1HB   TYR  41          HB2       TYR  41  -1.376  -1.654  -4.924
  281   2HB   TYR  41          HB1       TYR  41  -3.122  -1.440  -5.059
  282    HD1  TYR  41           HD1      TYR  41  -3.797  -0.010  -6.761
  283    HD2  TYR  41           HD2      TYR  41  -0.119   0.795  -4.692
  284    HE1  TYR  41           HE1      TYR  41  -3.443   2.001  -8.170
  285    HE2  TYR  41           HE2      TYR  41   0.234   2.805  -6.100
  286    HH   TYR  41           HH       TYR  41  -0.568   4.070  -7.732
  287    H    CYS  42           HN       CYS  42  -2.677   1.711  -2.183
  288    HA   CYS  42           HA       CYS  42  -5.644   1.340  -2.135
  289   1HB   CYS  42          HB2       CYS  42  -3.954   3.356  -0.633
  290   2HB   CYS  42          HB1       CYS  42  -5.594   2.835  -0.258
  291    H    GLU  43           HN       GLU  43  -6.964   2.811  -3.169
  292    HA   GLU  43           HA       GLU  43  -5.616   4.909  -4.823
  293   1HB   GLU  43          HB2       GLU  43  -6.961   2.957  -5.811
  294   2HB   GLU  43          HB1       GLU  43  -8.391   3.732  -5.128
  295   1HG   GLU  43          HG2       GLU  43  -7.661   5.850  -6.360
  296   2HG   GLU  43          HG1       GLU  43  -6.513   4.828  -7.226
  297    H    GLY  44           HN       GLY  44  -5.728   6.838  -3.687
  298   1HA   GLY  44          HA2       GLY  44  -7.386   8.719  -3.331
  299   2HA   GLY  44          HA1       GLY  44  -8.367   7.540  -2.458
  300    H    LEU  45           HN       LEU  45  -4.969   7.234  -2.027
  301    HA   LEU  45           HA       LEU  45  -5.117   7.662   0.810
  302   1HB   LEU  45          HB2       LEU  45  -2.852   7.509  -1.201
  303   2HB   LEU  45          HB1       LEU  45  -2.589   7.552   0.540
  304    HG   LEU  45           HG       LEU  45  -4.364   5.504  -0.807
  305   1HD1  LEU  45          HD11      LEU  45  -2.332   4.822  -1.666
  306   2HD1  LEU  45          HD12      LEU  45  -2.231   4.060  -0.079
  307   3HD1  LEU  45          HD13      LEU  45  -1.409   5.591  -0.376
  308   1HD2  LEU  45          HD21      LEU  45  -4.951   5.341   1.400
  309   2HD2  LEU  45          HD22      LEU  45  -3.471   6.125   1.954
  310   3HD2  LEU  45          HD23      LEU  45  -3.452   4.418   1.511
  311    HA   PRO  46           HA       PRO  46  -4.439  11.981   1.155
  312   1HB   PRO  46          HB2       PRO  46  -2.696  12.141   3.262
  313   2HB   PRO  46          HB1       PRO  46  -4.409  11.717   3.452
  314   1HG   PRO  46          HG2       PRO  46  -2.015   9.958   3.437
  315   2HG   PRO  46          HG1       PRO  46  -3.496   9.843   4.399
  316   1HD   PRO  46          HD2       PRO  46  -2.979   8.306   2.192
  317   2HD   PRO  46          HD1       PRO  46  -4.613   8.691   2.772
  318    H    GLU  47           HN       GLU  47  -2.861  13.669   0.698
  319    HA   GLU  47           HA       GLU  47  -0.860  13.020  -1.198
  320   1HB   GLU  47          HB2       GLU  47  -1.881  15.202  -1.054
  321   2HB   GLU  47          HB1       GLU  47  -1.316  15.411   0.605
  322   1HG   GLU  47          HG2       GLU  47   0.090  16.636  -1.054
  323   2HG   GLU  47          HG1       GLU  47   1.001  15.432  -0.142
  324    H    ASN  48           HN       ASN  48  -0.723  13.087   2.302
  325    HA   ASN  48           HA       ASN  48   2.252  12.724   2.172
  326   1HB   ASN  48          HB2       ASN  48   2.289  13.704   4.370
  327   2HB   ASN  48          HB1       ASN  48   1.221  14.708   3.389
  328   1HD2  ASN  48          HD21      ASN  48  -0.758  15.152   4.358
  329   2HD2  ASN  48          HD22      ASN  48  -1.506  14.187   5.537
  330    H    ALA  49           HN       ALA  49   0.164  10.591   1.815
  331    HA   ALA  49           HA       ALA  49  -0.032   9.042   4.245
  332   1HB   ALA  49          HB1       ALA  49  -1.232   7.628   2.876
  333   2HB   ALA  49          HB2       ALA  49  -0.055   7.737   1.567
  334   3HB   ALA  49          HB3       ALA  49  -1.218   9.038   1.816
  335    H    LYS  50           HN       LYS  50   1.086   6.922   4.566
  336    HA   LYS  50           HA       LYS  50   3.963   7.157   3.908
  337   1HB   LYS  50          HB2       LYS  50   2.686   6.539   6.167
  338   2HB   LYS  50          HB1       LYS  50   2.756   4.915   5.483
  339   1HG   LYS  50          HG2       LYS  50   4.853   4.791   6.314
  340   2HG   LYS  50          HG1       LYS  50   5.312   5.920   5.040
  341   1HD   LYS  50          HD2       LYS  50   4.115   7.030   7.548
  342   2HD   LYS  50          HD1       LYS  50   5.792   6.484   7.590
  343   1HE   LYS  50          HE2       LYS  50   6.169   8.647   6.859
  344   2HE   LYS  50          HE1       LYS  50   5.844   7.907   5.280
  345   1HZ   LYS  50          HZ1       LYS  50   3.414   8.489   6.620
  346   2HZ   LYS  50          HZ2       LYS  50   3.957   9.041   5.109
  347   3HZ   LYS  50          HZ3       LYS  50   4.361   9.892   6.522
  348    H    VAL  51           HN       VAL  51   3.832   6.588   1.613
  349    HA   VAL  51           HA       VAL  51   3.489   3.647   1.200
  350    HB   VAL  51           HB       VAL  51   2.401   4.275  -0.999
  351   1HG1  VAL  51          HG11      VAL  51   1.298   4.688   1.718
  352   2HG1  VAL  51          HG12      VAL  51   0.717   3.655   0.412
  353   3HG1  VAL  51          HG13      VAL  51   0.344   5.379   0.405
  354   1HG2  VAL  51          HG21      VAL  51   3.264   6.867  -0.154
  355   2HG2  VAL  51          HG22      VAL  51   1.501   6.877  -0.211
  356   3HG2  VAL  51          HG23      VAL  51   2.427   6.433  -1.645
  357    H    SER  52           HN       SER  52   4.501   3.029  -1.003
  358    HA   SER  52           HA       SER  52   7.176   4.282  -1.162
  359   1HB   SER  52          HB2       SER  52   6.781   1.812  -1.046
  360   2HB   SER  52          HB1       SER  52   5.946   1.901  -2.593
  361    HG   SER  52           HG       SER  52   7.910   1.582  -3.317
  362    H    ASP  53           HN       ASP  53   7.580   5.852  -2.663
  363    HA   ASP  53           HA       ASP  53   5.629   6.475  -4.760
  364   1HB   ASP  53          HB2       ASP  53   7.345   8.274  -5.229
  365   2HB   ASP  53          HB1       ASP  53   6.775   8.244  -3.560
  366    H    SER  54           HN       SER  54   7.855   4.080  -4.583
  367    HA   SER  54           HA       SER  54   8.614   4.308  -7.478
  368   1HB   SER  54          HB2       SER  54  10.462   2.680  -6.630
  369   2HB   SER  54          HB1       SER  54  10.583   4.377  -6.173
  370    HG   SER  54           HG       SER  54   9.796   3.886  -4.172
  371    H    ALA  55           HN       ALA  55   7.655   2.781  -8.769
  372    HA   ALA  55           HA       ALA  55   6.059   0.626  -7.591
  373   1HB   ALA  55          HB1       ALA  55   5.284   0.366  -9.824
  374   2HB   ALA  55          HB2       ALA  55   6.762   1.053 -10.498
  375   3HB   ALA  55          HB3       ALA  55   5.605   2.093  -9.667
  376    H    THR  56           HN       THR  56   9.326   0.917  -8.168
  377    HA   THR  56           HA       THR  56   9.623  -2.044  -8.342
  378    HB   THR  56           HB       THR  56  11.645  -1.083  -9.966
  379    HG1  THR  56           HG1      THR  56  11.011   0.703 -10.833
  380   1HG2  THR  56          HG21      THR  56   9.156  -2.562 -10.227
  381   2HG2  THR  56          HG22      THR  56  10.690  -2.802 -11.064
  382   3HG2  THR  56          HG23      THR  56   9.514  -1.645 -11.690
  383    H    ASN  57           HN       ASN  57   9.970  -0.740  -5.980
  384    HA   ASN  57           HA       ASN  57  12.914  -0.242  -5.733
  385   1HB   ASN  57          HB2       ASN  57  12.202   0.874  -3.597
  386   2HB   ASN  57          HB1       ASN  57  11.463   1.592  -5.029
  387   1HD2  ASN  57          HD21      ASN  57  10.665   0.735  -1.959
  388   2HD2  ASN  57          HD22      ASN  57   9.038   0.305  -2.180
  389    H    ILE  58           HN       ILE  58  13.713  -0.976  -3.428
  390    HA   ILE  58           HA       ILE  58  12.445  -3.573  -2.664
  391    HB   ILE  58           HB       ILE  58  15.344  -2.953  -3.300
  392   1HG1  ILE  58          HG12      ILE  58  14.594  -5.130  -4.780
  393   2HG1  ILE  58          HG11      ILE  58  13.084  -4.220  -4.727
  394   1HG2  ILE  58          HG21      ILE  58  15.474  -4.454  -1.501
  395   2HG2  ILE  58          HG22      ILE  58  15.497  -5.517  -2.909
  396   3HG2  ILE  58          HG23      ILE  58  14.009  -5.307  -1.985
  397   1HD1  ILE  58          HD11      ILE  58  14.579  -3.614  -6.666
  398   2HD1  ILE  58          HD12      ILE  58  15.749  -3.002  -5.496
  399   3HD1  ILE  58          HD13      ILE  58  14.158  -2.252  -5.627
  400    H    CYS  59           HN       CYS  59  12.347  -3.836  -0.448
  401    HA   CYS  59           HA       CYS  59  13.497  -1.701   1.259
  402   1HB   CYS  59          HB2       CYS  59  11.093  -2.904   1.200
  403   2HB   CYS  59          HB1       CYS  59  11.908  -3.995   2.321
  404    H    GLY  60           HN       GLY  60  13.402  -3.807   3.509
  405   1HA   GLY  60          HA2       GLY  60  14.789  -5.650   4.240
  406   2HA   GLY  60          HA1       GLY  60  15.823  -5.391   2.834
  Start of MODEL   15
    1   1H    LYS   1          HT1       LYS   1  -3.913  11.307  -4.792
    2   2H    LYS   1          HT2       LYS   1  -2.928  11.376  -3.410
    3   3H    LYS   1          HT3       LYS   1  -3.979  10.062  -3.643
    4    HA   LYS   1           HA       LYS   1  -2.370  10.180  -5.914
    5   1HB   LYS   1          HB2       LYS   1  -0.162  10.320  -5.010
    6   2HB   LYS   1          HB1       LYS   1  -1.039  11.670  -4.290
    7   1HG   LYS   1          HG2       LYS   1  -1.543  10.140  -2.320
    8   2HG   LYS   1          HG1       LYS   1  -0.385   9.004  -3.014
    9   1HD   LYS   1          HD2       LYS   1   1.086  11.279  -3.098
   10   2HD   LYS   1          HD1       LYS   1   0.092  11.608  -1.678
   11   1HE   LYS   1          HE2       LYS   1   0.738   9.183  -0.948
   12   2HE   LYS   1          HE1       LYS   1   2.062   9.369  -2.116
   13   1HZ   LYS   1          HZ1       LYS   1   2.870  11.243  -1.025
   14   2HZ   LYS   1          HZ2       LYS   1   2.459  10.203   0.254
   15   3HZ   LYS   1          HZ3       LYS   1   1.433  11.492  -0.159
   16    H    ASP   2           HN       ASP   2  -1.510   8.035  -6.270
   17    HA   ASP   2           HA       ASP   2  -2.642   5.989  -4.405
   18   1HB   ASP   2          HB2       ASP   2  -1.592   5.552  -7.205
   19   2HB   ASP   2          HB1       ASP   2  -2.804   4.614  -6.333
   20    H    GLY   3           HN       GLY   3  -1.267   4.280  -3.663
   21   1HA   GLY   3          HA2       GLY   3   1.401   3.834  -4.554
   22   2HA   GLY   3          HA1       GLY   3   1.462   4.940  -3.182
   23    H    TYR   4           HN       TYR   4   2.705   2.772  -2.555
   24    HA   TYR   4           HA       TYR   4   0.822   0.778  -1.383
   25   1HB   TYR   4          HB2       TYR   4   3.853   0.834  -1.579
   26   2HB   TYR   4          HB1       TYR   4   2.865  -0.555  -1.129
   27    HD1  TYR   4           HD1      TYR   4   1.641  -1.827  -2.789
   28    HD2  TYR   4           HD2      TYR   4   3.844   1.692  -3.893
   29    HE1  TYR   4           HE1      TYR   4   1.419  -2.437  -5.183
   30    HE2  TYR   4           HE2      TYR   4   3.621   1.081  -6.287
   31    HH   TYR   4           HH       TYR   4   3.027  -1.743  -7.413
   32    HA   PRO   5           HA       PRO   5   1.417   2.821   2.497
   33   1HB   PRO   5          HB2       PRO   5   0.297   0.918   4.097
   34   2HB   PRO   5          HB1       PRO   5  -0.667   2.020   3.094
   35   1HG   PRO   5          HG2       PRO   5   0.051  -0.825   2.616
   36   2HG   PRO   5          HG1       PRO   5  -1.446   0.041   2.241
   37   1HD   PRO   5          HD2       PRO   5   0.489  -0.556   0.391
   38   2HD   PRO   5          HD1       PRO   5  -0.658   0.792   0.235
   39    H    VAL   6           HN       VAL   6   3.119   2.783   3.937
   40    HA   VAL   6           HA       VAL   6   4.759   0.271   4.064
   41    HB   VAL   6           HB       VAL   6   6.612   1.929   4.538
   42   1HG1  VAL   6          HG11      VAL   6   6.151   1.006   2.269
   43   2HG1  VAL   6          HG12      VAL   6   6.799   2.645   2.206
   44   3HG1  VAL   6          HG13      VAL   6   5.074   2.369   1.961
   45   1HG2  VAL   6          HG21      VAL   6   4.967   3.709   5.326
   46   2HG2  VAL   6          HG22      VAL   6   4.565   3.967   3.628
   47   3HG2  VAL   6          HG23      VAL   6   6.204   4.274   4.203
   48    H    ASP   7           HN       ASP   7   6.027   0.098   6.145
   49    HA   ASP   7           HA       ASP   7   4.274   0.858   8.451
   50   1HB   ASP   7          HB2       ASP   7   5.556  -1.050   9.529
   51   2HB   ASP   7          HB1       ASP   7   4.590  -1.516   8.129
   52    H    SER   8           HN       SER   8   6.000   0.683  10.545
   53    HA   SER   8           HA       SER   8   7.467   3.156  10.461
   54   1HB   SER   8          HB2       SER   8   8.407   1.971  12.652
   55   2HB   SER   8          HB1       SER   8   6.736   2.523  12.574
   56    HG   SER   8           HG       SER   8   7.784  -0.037  12.583
   57    H    LYS   9           HN       LYS   9   8.236   0.083   9.241
   58    HA   LYS   9           HA       LYS   9  11.159   0.353   9.638
   59   1HB   LYS   9          HB2       LYS   9   9.909  -1.801   9.866
   60   2HB   LYS   9          HB1       LYS   9   9.486  -1.702   8.157
   61   1HG   LYS   9          HG2       LYS   9  11.476  -3.144   8.544
   62   2HG   LYS   9          HG1       LYS   9  11.857  -1.744   7.541
   63   1HD   LYS   9          HD2       LYS   9  13.357  -1.000   9.044
   64   2HD   LYS   9          HD1       LYS   9  12.162  -1.079  10.340
   65   1HE   LYS   9          HE2       LYS   9  12.599  -3.567  10.489
   66   2HE   LYS   9          HE1       LYS   9  13.948  -3.330   9.362
   67   1HZ   LYS   9          HZ1       LYS   9  13.688  -2.492  12.130
   68   2HZ   LYS   9          HZ2       LYS   9  14.357  -1.333  11.082
   69   3HZ   LYS   9          HZ3       LYS   9  15.082  -2.861  11.238
   70    H    GLY  10           HN       GLY  10   8.713   0.844   7.155
   71   1HA   GLY  10          HA2       GLY  10   9.189   2.385   5.310
   72   2HA   GLY  10          HA1       GLY  10  10.870   1.849   5.354
   73    H    CYS  11           HN       CYS  11   8.398  -0.558   5.668
   74    HA   CYS  11           HA       CYS  11   9.005  -1.463   2.874
   75   1HB   CYS  11          HB2       CYS  11   8.177  -3.035   5.338
   76   2HB   CYS  11          HB1       CYS  11   8.646  -3.720   3.782
   77    H    LYS  12           HN       LYS  12   7.258  -1.788   1.513
   78    HA   LYS  12           HA       LYS  12   4.692  -0.702   2.128
   79   1HB   LYS  12          HB2       LYS  12   5.430  -2.770   0.037
   80   2HB   LYS  12          HB1       LYS  12   4.102  -1.614  -0.044
   81   1HG   LYS  12          HG2       LYS  12   5.457   0.060  -0.740
   82   2HG   LYS  12          HG1       LYS  12   6.701  -0.344   0.444
   83   1HD   LYS  12          HD2       LYS  12   7.918  -1.391  -1.131
   84   2HD   LYS  12          HD1       LYS  12   6.551  -2.429  -1.540
   85   1HE   LYS  12          HE2       LYS  12   5.786  -0.047  -2.683
   86   2HE   LYS  12          HE1       LYS  12   7.544  -0.023  -2.925
   87   1HZ   LYS  12          HZ1       LYS  12   5.560  -1.861  -3.984
   88   2HZ   LYS  12          HZ2       LYS  12   6.992  -2.583  -3.422
   89   3HZ   LYS  12          HZ3       LYS  12   7.055  -1.393  -4.632
   90    H    LEU  13           HN       LEU  13   2.626  -1.932   2.257
   91    HA   LEU  13           HA       LEU  13   2.898  -4.299   4.002
   92   1HB   LEU  13          HB2       LEU  13   1.292  -2.160   4.072
   93   2HB   LEU  13          HB1       LEU  13   0.280  -3.195   3.063
   94    HG   LEU  13           HG       LEU  13   0.741  -5.016   4.869
   95   1HD1  LEU  13          HD11      LEU  13   1.489  -2.453   6.301
   96   2HD1  LEU  13          HD12      LEU  13   2.473  -3.905   6.120
   97   3HD1  LEU  13          HD13      LEU  13   1.038  -3.934   7.145
   98   1HD2  LEU  13          HD21      LEU  13  -1.190  -2.854   4.680
   99   2HD2  LEU  13          HD22      LEU  13  -0.960  -3.340   6.360
  100   3HD2  LEU  13          HD23      LEU  13  -1.447  -4.533   5.157
  101    H    SER  14           HN       SER  14   2.311  -6.386   3.384
  102    HA   SER  14           HA       SER  14   2.084  -6.930   0.514
  103   1HB   SER  14          HB2       SER  14   2.238  -8.516   3.073
  104   2HB   SER  14          HB1       SER  14   1.911  -9.318   1.540
  105    HG   SER  14           HG       SER  14   3.841  -8.376   0.743
  106    H    CYS  15           HN       CYS  15   0.260  -7.845  -0.528
  107    HA   CYS  15           HA       CYS  15  -2.315  -7.618   0.991
  108   1HB   CYS  15          HB2       CYS  15  -3.289  -7.120  -1.205
  109   2HB   CYS  15          HB1       CYS  15  -1.915  -6.053  -0.917
  110    H    VAL  16           HN       VAL  16  -3.574  -9.450   1.130
  111    HA   VAL  16           HA       VAL  16  -2.613 -11.897  -0.309
  112    HB   VAL  16           HB       VAL  16  -2.549 -11.795   2.201
  113   1HG1  VAL  16          HG11      VAL  16  -5.448 -12.143   2.472
  114   2HG1  VAL  16          HG12      VAL  16  -4.999 -10.536   1.899
  115   3HG1  VAL  16          HG13      VAL  16  -4.344 -11.146   3.419
  116   1HG2  VAL  16          HG21      VAL  16  -3.604 -13.829   0.523
  117   2HG2  VAL  16          HG22      VAL  16  -4.589 -13.817   1.985
  118   3HG2  VAL  16          HG23      VAL  16  -2.842 -14.026   2.101
  119    H    ALA  17           HN       ALA  17  -5.292  -9.728   0.159
  120    HA   ALA  17           HA       ALA  17  -6.841 -11.168  -1.915
  121   1HB   ALA  17          HB1       ALA  17  -7.529 -12.241   0.160
  122   2HB   ALA  17          HB2       ALA  17  -8.837 -11.184  -0.373
  123   3HB   ALA  17          HB3       ALA  17  -7.769 -10.673   0.934
  124    H    ASN  18           HN       ASN  18  -8.762  -9.809  -2.585
  125    HA   ASN  18           HA       ASN  18  -8.015  -7.010  -2.815
  126   1HB   ASN  18          HB2       ASN  18 -10.354  -8.748  -3.604
  127   2HB   ASN  18          HB1       ASN  18 -10.388  -7.007  -3.884
  128   1HD2  ASN  18          HD21      ASN  18 -10.355  -8.887  -6.065
  129   2HD2  ASN  18          HD22      ASN  18  -8.879  -8.720  -6.884
  130    H    ASN  19           HN       ASN  19 -10.128  -8.863  -0.713
  131    HA   ASN  19           HA       ASN  19 -11.641  -6.586   0.288
  132   1HB   ASN  19          HB2       ASN  19 -12.391  -8.284   1.946
  133   2HB   ASN  19          HB1       ASN  19 -12.470  -8.904   0.295
  134   1HD2  ASN  19          HD21      ASN  19 -12.130 -10.497   2.792
  135   2HD2  ASN  19          HD22      ASN  19 -10.657 -11.323   2.622
  136    H    TYR  20           HN       TYR  20  -8.790  -8.429   1.418
  137    HA   TYR  20           HA       TYR  20  -8.479  -7.228   3.966
  138   1HB   TYR  20          HB2       TYR  20  -7.159  -9.128   3.294
  139   2HB   TYR  20          HB1       TYR  20  -6.508  -8.257   1.905
  140    HD1  TYR  20           HD1      TYR  20  -6.938  -6.358   4.980
  141    HD2  TYR  20           HD2      TYR  20  -4.211  -8.834   2.768
  142    HE1  TYR  20           HE1      TYR  20  -5.056  -5.526   6.363
  143    HE2  TYR  20           HE2      TYR  20  -2.332  -8.001   4.152
  144    HH   TYR  20           HH       TYR  20  -1.711  -6.607   5.758
  145    H    CYS  21           HN       CYS  21  -7.155  -6.194   0.803
  146    HA   CYS  21           HA       CYS  21  -5.865  -3.823   1.800
  147   1HB   CYS  21          HB2       CYS  21  -6.747  -4.946  -0.838
  148   2HB   CYS  21          HB1       CYS  21  -6.223  -3.264  -0.773
  149    H    ASP  22           HN       ASP  22  -9.084  -4.406   0.347
  150    HA   ASP  22           HA       ASP  22 -10.079  -1.820   0.087
  151   1HB   ASP  22          HB2       ASP  22 -11.264  -3.962  -0.407
  152   2HB   ASP  22          HB1       ASP  22 -11.472  -4.220   1.327
  153    H    ASN  23           HN       ASN  23  -9.969  -3.773   3.084
  154    HA   ASN  23           HA       ASN  23 -11.034  -1.686   4.788
  155   1HB   ASN  23          HB2       ASN  23 -11.177  -4.014   5.416
  156   2HB   ASN  23          HB1       ASN  23  -9.434  -4.224   5.242
  157   1HD2  ASN  23          HD21      ASN  23 -10.230  -4.972   7.688
  158   2HD2  ASN  23          HD22      ASN  23  -9.941  -3.782   8.863
  159    H    GLN  24           HN       GLN  24  -7.722  -2.965   4.285
  160    HA   GLN  24           HA       GLN  24  -6.303  -1.188   5.956
  161   1HB   GLN  24          HB2       GLN  24  -5.394  -3.179   4.797
  162   2HB   GLN  24          HB1       GLN  24  -5.563  -2.355   3.248
  163   1HG   GLN  24          HG2       GLN  24  -3.235  -2.299   4.313
  164   2HG   GLN  24          HG1       GLN  24  -3.897  -0.746   3.805
  165   1HE2  GLN  24          HE21      GLN  24  -3.302  -2.792   6.670
  166   2HE2  GLN  24          HE22      GLN  24  -3.420  -1.529   7.798
  167    H    CYS  25           HN       CYS  25  -6.916  -0.831   2.437
  168    HA   CYS  25           HA       CYS  25  -5.871   1.782   2.120
  169   1HB   CYS  25          HB2       CYS  25  -8.189   0.335   0.796
  170   2HB   CYS  25          HB1       CYS  25  -7.458   1.807   0.159
  171    H    LYS  26           HN       LYS  26  -9.251   0.786   2.756
  172    HA   LYS  26           HA       LYS  26 -10.474   3.292   2.999
  173   1HB   LYS  26          HB2       LYS  26 -11.492   0.983   3.129
  174   2HB   LYS  26          HB1       LYS  26 -10.890   0.871   4.783
  175   1HG   LYS  26          HG2       LYS  26 -12.668   2.026   5.531
  176   2HG   LYS  26          HG1       LYS  26 -12.252   3.376   4.473
  177   1HD   LYS  26          HD2       LYS  26 -13.357   1.289   2.860
  178   2HD   LYS  26          HD1       LYS  26 -14.441   1.561   4.225
  179   1HE   LYS  26          HE2       LYS  26 -14.052   4.113   3.646
  180   2HE   LYS  26          HE1       LYS  26 -13.634   3.465   2.047
  181   1HZ   LYS  26          HZ1       LYS  26 -15.896   3.564   1.852
  182   2HZ   LYS  26          HZ2       LYS  26 -16.172   3.314   3.509
  183   3HZ   LYS  26          HZ3       LYS  26 -15.747   2.008   2.510
  184    H    MET  27           HN       MET  27  -8.509   1.529   5.378
  185    HA   MET  27           HA       MET  27  -8.916   3.232   7.626
  186   1HB   MET  27          HB2       MET  27  -6.424   1.715   6.779
  187   2HB   MET  27          HB1       MET  27  -6.857   2.176   8.425
  188   1HG   MET  27          HG2       MET  27  -9.075   0.775   7.291
  189   2HG   MET  27          HG1       MET  27  -7.620  -0.179   6.999
  190   1HE   MET  27          HE1       MET  27  -7.340  -2.141   8.778
  191   2HE   MET  27          HE2       MET  27  -6.428  -1.496  10.140
  192   3HE   MET  27          HE3       MET  27  -6.056  -0.954   8.506
  193    H    LYS  28           HN       LYS  28  -6.575   3.401   4.941
  194    HA   LYS  28           HA       LYS  28  -5.400   5.896   6.003
  195   1HB   LYS  28          HB2       LYS  28  -4.971   4.235   3.499
  196   2HB   LYS  28          HB1       LYS  28  -3.984   5.627   3.948
  197   1HG   LYS  28          HG2       LYS  28  -4.383   3.221   5.747
  198   2HG   LYS  28          HG1       LYS  28  -3.019   3.393   4.642
  199   1HD   LYS  28          HD2       LYS  28  -3.610   5.669   6.484
  200   2HD   LYS  28          HD1       LYS  28  -2.864   4.226   7.170
  201   1HE   LYS  28          HE2       LYS  28  -0.904   4.491   5.945
  202   2HE   LYS  28          HE1       LYS  28  -1.723   5.362   4.633
  203   1HZ   LYS  28          HZ1       LYS  28  -0.339   6.592   6.549
  204   2HZ   LYS  28          HZ2       LYS  28  -1.879   6.581   7.267
  205   3HZ   LYS  28          HZ3       LYS  28  -1.652   7.305   5.747
  206    H    LYS  29           HN       LYS  29  -8.295   5.712   5.059
  207    HA   LYS  29           HA       LYS  29  -9.801   7.044   3.831
  208   1HB   LYS  29          HB2       LYS  29  -8.679   8.786   5.090
  209   2HB   LYS  29          HB1       LYS  29  -7.318   8.780   3.967
  210   1HG   LYS  29          HG2       LYS  29  -8.445   9.979   2.382
  211   2HG   LYS  29          HG1       LYS  29  -9.993   9.224   2.760
  212   1HD   LYS  29          HD2       LYS  29 -10.186  10.584   4.794
  213   2HD   LYS  29          HD1       LYS  29  -8.612  11.314   4.471
  214   1HE   LYS  29          HE2       LYS  29 -10.652  12.685   3.723
  215   2HE   LYS  29          HE1       LYS  29  -9.435  12.385   2.466
  216   1HZ   LYS  29          HZ1       LYS  29 -11.874  11.821   1.943
  217   2HZ   LYS  29          HZ2       LYS  29 -11.627  10.466   2.938
  218   3HZ   LYS  29          HZ3       LYS  29 -10.684  10.680   1.542
  219    H    ALA  30           HN       ALA  30  -8.235   5.088   2.320
  220    HA   ALA  30           HA       ALA  30  -7.409   6.413  -0.176
  221   1HB   ALA  30          HB1       ALA  30  -7.554   3.607   0.915
  222   2HB   ALA  30          HB2       ALA  30  -6.134   4.520   0.405
  223   3HB   ALA  30          HB3       ALA  30  -7.246   3.874  -0.801
  224    H    SER  31           HN       SER  31  -8.393   5.361  -2.272
  225    HA   SER  31           HA       SER  31 -11.364   5.088  -1.934
  226   1HB   SER  31          HB2       SER  31 -10.517   7.316  -2.766
  227   2HB   SER  31          HB1       SER  31  -9.850   6.478  -4.165
  228    HG   SER  31           HG       SER  31 -12.573   6.408  -3.353
  229    H    GLY  32           HN       GLY  32  -8.463   3.817  -3.291
  230   1HA   GLY  32          HA2       GLY  32 -10.078   1.786  -4.757
  231   2HA   GLY  32          HA1       GLY  32  -8.717   2.561  -5.570
  232    H    GLY  33           HN       GLY  33  -9.585   0.481  -2.837
  233   1HA   GLY  33          HA2       GLY  33  -6.728  -0.210  -2.445
  234   2HA   GLY  33          HA1       GLY  33  -8.056  -0.697  -1.392
  235    H    HIS  34           HN       HIS  34  -5.875  -1.982  -3.415
  236    HA   HIS  34           HA       HIS  34  -7.500  -4.394  -3.871
  237   1HB   HIS  34          HB2       HIS  34  -7.119  -4.306  -6.324
  238   2HB   HIS  34          HB1       HIS  34  -8.052  -2.920  -5.764
  239    HD1  HIS  34           HD1      HIS  34  -7.190  -0.695  -6.475
  240    HD2  HIS  34           HD2      HIS  34  -4.185  -3.584  -6.521
  241    HE1  HIS  34           HE1      HIS  34  -5.123   0.437  -7.403
  242    H    CYS  35           HN       CYS  35  -6.152  -6.237  -4.218
  243    HA   CYS  35           HA       CYS  35  -3.335  -5.861  -3.440
  244   1HB   CYS  35          HB2       CYS  35  -4.630  -7.617  -2.410
  245   2HB   CYS  35          HB1       CYS  35  -5.123  -8.246  -3.982
  246    H    TYR  36           HN       TYR  36  -1.741  -5.641  -4.935
  247    HA   TYR  36           HA       TYR  36  -1.918  -7.141  -7.500
  248   1HB   TYR  36          HB2       TYR  36  -2.740  -4.551  -7.364
  249   2HB   TYR  36          HB1       TYR  36  -1.020  -4.314  -7.678
  250    HD1  TYR  36           HD1      TYR  36  -4.101  -4.668  -9.248
  251    HD2  TYR  36           HD2      TYR  36  -0.064  -6.115  -9.493
  252    HE1  TYR  36           HE1      TYR  36  -4.453  -5.251 -11.634
  253    HE2  TYR  36           HE2      TYR  36  -0.416  -6.699 -11.877
  254    HH   TYR  36           HH       TYR  36  -3.006  -5.565 -13.681
  255    H    ALA  37           HN       ALA  37   0.132  -7.779  -8.224
  256    HA   ALA  37           HA       ALA  37   2.482  -8.074  -8.180
  257   1HB   ALA  37          HB1       ALA  37   1.893  -5.328  -7.670
  258   2HB   ALA  37          HB2       ALA  37   3.383  -6.007  -8.326
  259   3HB   ALA  37          HB3       ALA  37   3.201  -5.797  -6.584
  260    H    MET  38           HN       MET  38   0.568  -8.795  -5.868
  261    HA   MET  38           HA       MET  38   0.864 -10.023  -3.864
  262   1HB   MET  38          HB2       MET  38   3.359 -10.022  -5.214
  263   2HB   MET  38          HB1       MET  38   3.709  -9.661  -3.524
  264   1HG   MET  38          HG2       MET  38   3.696 -12.099  -3.927
  265   2HG   MET  38          HG1       MET  38   2.403 -11.628  -2.823
  266   1HE   MET  38          HE1       MET  38   1.682 -14.545  -5.730
  267   2HE   MET  38          HE2       MET  38   2.120 -14.410  -4.029
  268   3HE   MET  38          HE3       MET  38   3.268 -13.912  -5.269
  269    H    SER  39           HN       SER  39   1.270  -6.808  -4.283
  270    HA   SER  39           HA       SER  39   1.778  -6.331  -1.361
  271   1HB   SER  39          HB2       SER  39   2.421  -4.500  -3.691
  272   2HB   SER  39          HB1       SER  39   2.924  -4.299  -2.015
  273    HG   SER  39           HG       SER  39   4.260  -6.039  -2.214
  274    H    CYS  40           HN       CYS  40   0.505  -4.587  -0.425
  275    HA   CYS  40           HA       CYS  40  -2.155  -4.317  -1.629
  276   1HB   CYS  40          HB2       CYS  40  -1.462  -4.589   0.849
  277   2HB   CYS  40          HB1       CYS  40  -1.061  -2.873   0.788
  278    H    TYR  41           HN       TYR  41  -2.825  -2.619  -2.870
  279    HA   TYR  41           HA       TYR  41  -1.171  -0.113  -2.867
  280   1HB   TYR  41          HB2       TYR  41  -0.886  -1.706  -4.823
  281   2HB   TYR  41          HB1       TYR  41  -2.579  -1.412  -5.218
  282    HD1  TYR  41           HD1      TYR  41  -3.177   0.435  -6.538
  283    HD2  TYR  41           HD2      TYR  41   0.649   0.379  -4.588
  284    HE1  TYR  41           HE1      TYR  41  -2.534   2.504  -7.742
  285    HE2  TYR  41           HE2      TYR  41   1.292   2.448  -5.792
  286    HH   TYR  41           HH       TYR  41  -0.129   3.544  -8.447
  287    H    CYS  42           HN       CYS  42  -2.437   1.575  -2.175
  288    HA   CYS  42           HA       CYS  42  -5.399   1.376  -2.559
  289   1HB   CYS  42          HB2       CYS  42  -3.769   3.172  -0.733
  290   2HB   CYS  42          HB1       CYS  42  -5.510   2.908  -0.673
  291    H    GLU  43           HN       GLU  43  -6.428   2.895  -3.818
  292    HA   GLU  43           HA       GLU  43  -4.725   5.021  -5.065
  293   1HB   GLU  43          HB2       GLU  43  -6.006   3.018  -6.263
  294   2HB   GLU  43          HB1       GLU  43  -7.379   4.116  -6.125
  295   1HG   GLU  43          HG2       GLU  43  -5.817   5.902  -7.133
  296   2HG   GLU  43          HG1       GLU  43  -4.776   4.552  -7.585
  297    H    GLY  44           HN       GLY  44  -5.119   6.995  -4.112
  298   1HA   GLY  44          HA2       GLY  44  -6.946   8.779  -4.116
  299   2HA   GLY  44          HA1       GLY  44  -7.926   7.588  -3.259
  300    H    LEU  45           HN       LEU  45  -4.669   7.386  -2.352
  301    HA   LEU  45           HA       LEU  45  -5.163   8.152   0.362
  302   1HB   LEU  45          HB2       LEU  45  -2.664   7.769  -1.314
  303   2HB   LEU  45          HB1       LEU  45  -2.627   7.988   0.434
  304    HG   LEU  45           HG       LEU  45  -4.295   5.841  -0.887
  305   1HD1  LEU  45          HD11      LEU  45  -2.398   4.720  -1.358
  306   2HD1  LEU  45          HD12      LEU  45  -2.038   4.694   0.368
  307   3HD1  LEU  45          HD13      LEU  45  -1.420   6.000  -0.642
  308   1HD2  LEU  45          HD21      LEU  45  -5.024   6.128   1.327
  309   2HD2  LEU  45          HD22      LEU  45  -3.407   6.522   1.910
  310   3HD2  LEU  45          HD23      LEU  45  -3.812   4.858   1.493
  311    HA   PRO  46           HA       PRO  46  -4.495  12.483   0.342
  312   1HB   PRO  46          HB2       PRO  46  -2.936  12.877   2.560
  313   2HB   PRO  46          HB1       PRO  46  -4.659  12.459   2.644
  314   1HG   PRO  46          HG2       PRO  46  -2.271  10.717   2.982
  315   2HG   PRO  46          HG1       PRO  46  -3.806  10.711   3.865
  316   1HD   PRO  46          HD2       PRO  46  -3.204   8.928   1.900
  317   2HD   PRO  46          HD1       PRO  46  -4.863   9.435   2.274
  318    H    GLU  47           HN       GLU  47  -2.974  14.083  -0.302
  319    HA   GLU  47           HA       GLU  47  -0.810  13.359  -1.918
  320   1HB   GLU  47          HB2       GLU  47  -1.796  15.525  -2.051
  321   2HB   GLU  47          HB1       GLU  47  -1.515  15.838  -0.338
  322   1HG   GLU  47          HG2       GLU  47   0.974  15.207  -1.670
  323   2HG   GLU  47          HG1       GLU  47   0.164  16.549  -2.477
  324    H    ASN  48           HN       ASN  48  -0.910  13.583   1.569
  325    HA   ASN  48           HA       ASN  48   2.079  13.345   1.654
  326   1HB   ASN  48          HB2       ASN  48   1.619  14.068   4.095
  327   2HB   ASN  48          HB1       ASN  48   1.377  15.277   2.834
  328   1HD2  ASN  48          HD21      ASN  48  -0.610  16.334   2.933
  329   2HD2  ASN  48          HD22      ASN  48  -2.008  15.714   3.668
  330    H    ALA  49           HN       ALA  49  -0.016  11.129   1.282
  331    HA   ALA  49           HA       ALA  49  -0.238   9.625   3.711
  332   1HB   ALA  49          HB1       ALA  49  -0.024   7.988   1.334
  333   2HB   ALA  49          HB2       ALA  49  -0.954   9.444   0.982
  334   3HB   ALA  49          HB3       ALA  49  -1.460   8.369   2.285
  335    H    LYS  50           HN       LYS  50   1.004   7.695   4.299
  336    HA   LYS  50           HA       LYS  50   3.893   8.000   3.692
  337   1HB   LYS  50          HB2       LYS  50   2.877   7.787   6.018
  338   2HB   LYS  50          HB1       LYS  50   2.479   6.119   5.606
  339   1HG   LYS  50          HG2       LYS  50   4.547   5.634   6.408
  340   2HG   LYS  50          HG1       LYS  50   5.122   6.266   4.865
  341   1HD   LYS  50          HD2       LYS  50   6.368   7.499   6.432
  342   2HD   LYS  50          HD1       LYS  50   5.036   8.587   6.042
  343   1HE   LYS  50          HE2       LYS  50   4.249   6.803   8.187
  344   2HE   LYS  50          HE1       LYS  50   5.744   7.660   8.611
  345   1HZ   LYS  50          HZ1       LYS  50   4.730   9.651   8.553
  346   2HZ   LYS  50          HZ2       LYS  50   3.304   8.757   8.783
  347   3HZ   LYS  50          HZ3       LYS  50   3.759   9.249   7.222
  348    H    VAL  51           HN       VAL  51   4.047   7.066   1.574
  349    HA   VAL  51           HA       VAL  51   3.647   4.103   1.525
  350    HB   VAL  51           HB       VAL  51   2.731   4.422  -0.800
  351   1HG1  VAL  51          HG11      VAL  51   0.538   5.435  -0.008
  352   2HG1  VAL  51          HG12      VAL  51   1.330   5.743   1.537
  353   3HG1  VAL  51          HG13      VAL  51   1.134   4.088   0.961
  354   1HG2  VAL  51          HG21      VAL  51   2.501   6.497  -1.749
  355   2HG2  VAL  51          HG22      VAL  51   3.832   6.895  -0.662
  356   3HG2  VAL  51          HG23      VAL  51   2.173   7.280  -0.203
  357    H    SER  52           HN       SER  52   4.767   3.203  -0.537
  358    HA   SER  52           HA       SER  52   7.502   4.329  -0.644
  359   1HB   SER  52          HB2       SER  52   6.954   1.898  -0.293
  360   2HB   SER  52          HB1       SER  52   6.280   1.860  -1.920
  361    HG   SER  52           HG       SER  52   8.859   2.885  -1.540
  362    H    ASP  53           HN       ASP  53   8.546   4.723  -2.740
  363    HA   ASP  53           HA       ASP  53   6.597   5.615  -4.835
  364   1HB   ASP  53          HB2       ASP  53   8.223   7.302  -5.352
  365   2HB   ASP  53          HB1       ASP  53   8.140   7.239  -3.590
  366    H    SER  54           HN       SER  54   8.264   2.948  -4.258
  367    HA   SER  54           HA       SER  54   9.487   2.729  -6.983
  368   1HB   SER  54          HB2       SER  54  10.444   0.608  -5.698
  369   2HB   SER  54          HB1       SER  54  11.135   2.206  -5.427
  370    HG   SER  54           HG       SER  54  10.545   1.969  -3.433
  371    H    ALA  55           HN       ALA  55   8.381   1.488  -8.442
  372    HA   ALA  55           HA       ALA  55   5.955   0.071  -7.703
  373   1HB   ALA  55          HB1       ALA  55   6.405  -0.681 -10.226
  374   2HB   ALA  55          HB2       ALA  55   7.595   0.619 -10.144
  375   3HB   ALA  55          HB3       ALA  55   5.891   0.962  -9.842
  376    H    THR  56           HN       THR  56   9.202  -0.769  -7.423
  377    HA   THR  56           HA       THR  56   8.520  -3.592  -6.965
  378    HB   THR  56           HB       THR  56   8.806  -3.711  -9.322
  379    HG1  THR  56           HG1      THR  56  11.443  -4.175  -8.465
  380   1HG2  THR  56          HG21      THR  56   9.669  -1.521  -9.787
  381   2HG2  THR  56          HG22      THR  56  10.848  -2.674 -10.410
  382   3HG2  THR  56          HG23      THR  56  11.147  -1.846  -8.881
  383    H    ASN  57           HN       ASN  57   9.375  -3.264  -4.852
  384    HA   ASN  57           HA       ASN  57  12.337  -3.249  -4.713
  385   1HB   ASN  57          HB2       ASN  57  12.174  -1.439  -2.939
  386   2HB   ASN  57          HB1       ASN  57  11.788  -0.902  -4.574
  387   1HD2  ASN  57          HD21      ASN  57  10.773  -0.208  -1.637
  388   2HD2  ASN  57          HD22      ASN  57   9.091  -0.126  -1.853
  389    H    ILE  58           HN       ILE  58  13.004  -3.694  -2.338
  390    HA   ILE  58           HA       ILE  58  10.932  -4.927  -0.644
  391    HB   ILE  58           HB       ILE  58  11.504  -6.563  -2.485
  392   1HG1  ILE  58          HG12      ILE  58  12.496  -7.621   0.158
  393   2HG1  ILE  58          HG11      ILE  58  10.815  -7.120  -0.026
  394   1HG2  ILE  58          HG21      ILE  58  14.140  -6.913  -1.072
  395   2HG2  ILE  58          HG22      ILE  58  13.983  -5.753  -2.391
  396   3HG2  ILE  58          HG23      ILE  58  13.665  -7.464  -2.679
  397   1HD1  ILE  58          HD11      ILE  58  11.638  -8.744  -2.279
  398   2HD1  ILE  58          HD12      ILE  58  10.309  -9.005  -1.149
  399   3HD1  ILE  58          HD13      ILE  58  11.925  -9.599  -0.763
  400    H    CYS  59           HN       CYS  59  11.716  -5.340   1.482
  401    HA   CYS  59           HA       CYS  59  14.509  -4.379   2.023
  402   1HB   CYS  59          HB2       CYS  59  13.571  -3.412   4.076
  403   2HB   CYS  59          HB1       CYS  59  12.653  -2.838   2.683
  404    H    GLY  60           HN       GLY  60  14.644  -5.083   4.699
  405   1HA   GLY  60          HA2       GLY  60  13.733  -7.386   5.775
  406   2HA   GLY  60          HA1       GLY  60  14.781  -8.022   4.506
  Start of MODEL   16
    1   1H    LYS   1          HT1       LYS   1   2.701  11.526   6.590
    2   2H    LYS   1          HT2       LYS   1   2.312  11.388   4.942
    3   3H    LYS   1          HT3       LYS   1   3.298  10.221   5.687
    4    HA   LYS   1           HA       LYS   1   1.053  10.166   7.226
    5   1HB   LYS   1          HB2       LYS   1  -0.800  10.233   5.662
    6   2HB   LYS   1          HB1       LYS   1   0.120  11.725   5.465
    7   1HG   LYS   1          HG2       LYS   1   1.131  10.972   3.457
    8   2HG   LYS   1          HG1       LYS   1   0.680   9.295   3.761
    9   1HD   LYS   1          HD2       LYS   1  -1.779  10.366   3.740
   10   2HD   LYS   1          HD1       LYS   1  -0.973  11.535   2.694
   11   1HE   LYS   1          HE2       LYS   1  -0.020   9.390   1.492
   12   2HE   LYS   1          HE1       LYS   1  -1.417   8.596   2.246
   13   1HZ   LYS   1          HZ1       LYS   1  -2.893   9.885   1.114
   14   2HZ   LYS   1          HZ2       LYS   1  -1.644   9.867  -0.039
   15   3HZ   LYS   1          HZ3       LYS   1  -1.837  11.205   0.991
   16    H    ASP   2           HN       ASP   2  -0.202   8.060   6.708
   17    HA   ASP   2           HA       ASP   2   1.549   6.131   5.223
   18   1HB   ASP   2          HB2       ASP   2   0.073   5.568   7.806
   19   2HB   ASP   2          HB1       ASP   2   1.353   4.610   7.063
   20    H    GLY   3           HN       GLY   3   0.258   4.042   4.770
   21   1HA   GLY   3          HA2       GLY   3  -2.479   3.697   4.921
   22   2HA   GLY   3          HA1       GLY   3  -2.282   4.794   3.557
   23    H    TYR   4           HN       TYR   4  -3.187   3.015   2.305
   24    HA   TYR   4           HA       TYR   4  -1.173   0.883   1.671
   25   1HB   TYR   4          HB2       TYR   4  -4.198   0.916   1.376
   26   2HB   TYR   4          HB1       TYR   4  -3.147  -0.457   1.030
   27    HD1  TYR   4           HD1      TYR   4  -2.340  -1.875   2.771
   28    HD2  TYR   4           HD2      TYR   4  -4.355   1.796   3.736
   29    HE1  TYR   4           HE1      TYR   4  -2.446  -2.558   5.152
   30    HE2  TYR   4           HE2      TYR   4  -4.460   1.110   6.118
   31    HH   TYR   4           HH       TYR   4  -2.848  -1.821   7.259
   32    HA   PRO   5           HA       PRO   5  -1.097   3.129  -2.184
   33   1HB   PRO   5          HB2       PRO   5   0.693   1.492  -3.446
   34   2HB   PRO   5          HB1       PRO   5   1.176   2.714  -2.252
   35   1HG   PRO   5          HG2       PRO   5   0.836  -0.224  -1.919
   36   2HG   PRO   5          HG1       PRO   5   2.058   0.856  -1.230
   37   1HD   PRO   5          HD2       PRO   5  -0.090  -0.063   0.168
   38   2HD   PRO   5          HD1       PRO   5   0.709   1.487   0.511
   39    H    VAL   6           HN       VAL   6  -2.307   2.859  -4.039
   40    HA   VAL   6           HA       VAL   6  -3.651   0.221  -4.424
   41    HB   VAL   6           HB       VAL   6  -5.243   1.601  -5.728
   42   1HG1  VAL   6          HG11      VAL   6  -5.890   3.163  -3.805
   43   2HG1  VAL   6          HG12      VAL   6  -4.447   2.575  -2.978
   44   3HG1  VAL   6          HG13      VAL   6  -5.741   1.453  -3.399
   45   1HG2  VAL   6          HG21      VAL   6  -3.174   3.228  -6.253
   46   2HG2  VAL   6          HG22      VAL   6  -3.845   4.095  -4.872
   47   3HG2  VAL   6          HG23      VAL   6  -4.842   3.800  -6.297
   48    H    ASP   7           HN       ASP   7  -4.228  -0.022  -6.920
   49    HA   ASP   7           HA       ASP   7  -1.619   0.159  -8.380
   50   1HB   ASP   7          HB2       ASP   7  -2.837  -1.690  -9.770
   51   2HB   ASP   7          HB1       ASP   7  -2.229  -2.101  -8.167
   52    H    SER   8           HN       SER   8  -2.448  -0.190 -10.964
   53    HA   SER   8           HA       SER   8  -3.222   2.402 -11.814
   54   1HB   SER   8          HB2       SER   8  -3.559   1.183 -14.004
   55   2HB   SER   8          HB1       SER   8  -2.020   0.845 -13.217
   56    HG   SER   8           HG       SER   8  -2.760  -1.113 -12.599
   57    H    LYS   9           HN       LYS   9  -5.189  -0.120 -10.543
   58    HA   LYS   9           HA       LYS   9  -7.637   1.012 -11.838
   59   1HB   LYS   9          HB2       LYS   9  -7.274  -1.385 -12.080
   60   2HB   LYS   9          HB1       LYS   9  -7.063  -1.561 -10.338
   61   1HG   LYS   9          HG2       LYS   9  -9.344  -1.069  -9.900
   62   2HG   LYS   9          HG1       LYS   9  -9.598  -0.428 -11.525
   63   1HD   LYS   9          HD2       LYS   9  -9.560  -2.570 -12.508
   64   2HD   LYS   9          HD1       LYS   9  -8.769  -3.296 -11.108
   65   1HE   LYS   9          HE2       LYS   9 -10.817  -2.940  -9.760
   66   2HE   LYS   9          HE1       LYS   9 -11.616  -2.229 -11.176
   67   1HZ   LYS   9          HZ1       LYS   9 -11.312  -4.946 -10.564
   68   2HZ   LYS   9          HZ2       LYS   9 -10.389  -4.630 -11.955
   69   3HZ   LYS   9          HZ3       LYS   9 -12.046  -4.259 -11.928
   70    H    GLY  10           HN       GLY  10  -5.919   0.901  -8.841
   71   1HA   GLY  10          HA2       GLY  10  -6.549   2.434  -7.042
   72   2HA   GLY  10          HA1       GLY  10  -8.235   2.236  -7.520
   73    H    CYS  11           HN       CYS  11  -6.901  -0.777  -7.713
   74    HA   CYS  11           HA       CYS  11  -8.213  -1.650  -5.243
   75   1HB   CYS  11          HB2       CYS  11  -6.539  -3.112  -7.314
   76   2HB   CYS  11          HB1       CYS  11  -7.576  -3.875  -6.110
   77    H    LYS  12           HN       LYS  12  -7.167  -2.376  -3.372
   78    HA   LYS  12           HA       LYS  12  -4.646  -1.325  -2.631
   79   1HB   LYS  12          HB2       LYS  12  -6.299  -3.673  -1.657
   80   2HB   LYS  12          HB1       LYS  12  -4.883  -3.075  -0.791
   81   1HG   LYS  12          HG2       LYS  12  -5.894  -0.931  -0.438
   82   2HG   LYS  12          HG1       LYS  12  -7.202  -1.291  -1.564
   83   1HD   LYS  12          HD2       LYS  12  -8.102  -1.583   0.642
   84   2HD   LYS  12          HD1       LYS  12  -7.859  -3.199  -0.022
   85   1HE   LYS  12          HE2       LYS  12  -6.265  -3.718   1.527
   86   2HE   LYS  12          HE1       LYS  12  -5.508  -2.116   1.410
   87   1HZ   LYS  12          HZ1       LYS  12  -6.880  -1.243   2.963
   88   2HZ   LYS  12          HZ2       LYS  12  -6.976  -2.854   3.495
   89   3HZ   LYS  12          HZ3       LYS  12  -8.201  -2.205   2.513
   90    H    LEU  13           HN       LEU  13  -2.550  -2.102  -2.842
   91    HA   LEU  13           HA       LEU  13  -2.054  -4.294  -4.717
   92   1HB   LEU  13          HB2       LEU  13  -0.755  -2.141  -4.525
   93   2HB   LEU  13          HB1       LEU  13  -0.152  -2.704  -2.965
   94    HG   LEU  13           HG       LEU  13   0.660  -4.795  -4.186
   95   1HD1  LEU  13          HD11      LEU  13   1.036  -4.478  -6.635
   96   2HD1  LEU  13          HD12      LEU  13   0.073  -3.002  -6.563
   97   3HD1  LEU  13          HD13      LEU  13  -0.676  -4.561  -6.218
   98   1HD2  LEU  13          HD21      LEU  13   2.246  -2.764  -5.496
   99   2HD2  LEU  13          HD22      LEU  13   2.656  -3.749  -4.092
  100   3HD2  LEU  13          HD23      LEU  13   1.797  -2.224  -3.878
  101    H    SER  14           HN       SER  14  -2.338  -6.361  -3.926
  102    HA   SER  14           HA       SER  14  -2.199  -7.160  -1.201
  103   1HB   SER  14          HB2       SER  14  -1.556  -8.853  -3.627
  104   2HB   SER  14          HB1       SER  14  -2.311  -9.373  -2.123
  105    HG   SER  14           HG       SER  14  -3.605  -8.762  -4.187
  106    H    CYS  15           HN       CYS  15  -0.467  -7.824   0.086
  107    HA   CYS  15           HA       CYS  15   2.258  -7.536  -1.110
  108   1HB   CYS  15          HB2       CYS  15   2.911  -7.268   1.292
  109   2HB   CYS  15          HB1       CYS  15   1.713  -6.082   0.779
  110    H    VAL  16           HN       VAL  16   3.622  -9.318  -1.162
  111    HA   VAL  16           HA       VAL  16   2.557 -11.858   0.022
  112    HB   VAL  16           HB       VAL  16   2.860 -11.399  -2.541
  113   1HG1  VAL  16          HG11      VAL  16   5.278 -10.585  -2.057
  114   2HG1  VAL  16          HG12      VAL  16   5.024 -11.644  -3.444
  115   3HG1  VAL  16          HG13      VAL  16   5.674 -12.300  -1.943
  116   1HG2  VAL  16          HG21      VAL  16   2.728 -13.652  -2.744
  117   2HG2  VAL  16          HG22      VAL  16   2.826 -13.680  -0.983
  118   3HG2  VAL  16          HG23      VAL  16   4.284 -13.900  -1.952
  119    H    ALA  17           HN       ALA  17   5.168  -9.595   0.068
  120    HA   ALA  17           HA       ALA  17   6.587 -11.272   2.065
  121   1HB   ALA  17          HB1       ALA  17   8.414 -10.120   0.094
  122   2HB   ALA  17          HB2       ALA  17   7.280 -11.257  -0.636
  123   3HB   ALA  17          HB3       ALA  17   8.318 -11.776   0.692
  124    H    ASN  18           HN       ASN  18   7.332  -9.955   3.691
  125    HA   ASN  18           HA       ASN  18   6.814  -7.191   3.859
  126   1HB   ASN  18          HB2       ASN  18   8.604  -9.179   5.198
  127   2HB   ASN  18          HB1       ASN  18   8.858  -7.472   5.562
  128   1HD2  ASN  18          HD21      ASN  18   7.957  -9.033   7.660
  129   2HD2  ASN  18          HD22      ASN  18   6.321  -8.713   7.982
  130    H    ASN  19           HN       ASN  19   9.561  -8.893   2.447
  131    HA   ASN  19           HA       ASN  19  11.328  -6.615   2.254
  132   1HB   ASN  19          HB2       ASN  19  12.548  -8.132   0.720
  133   2HB   ASN  19          HB1       ASN  19  12.027  -8.985   2.168
  134   1HD2  ASN  19          HD21      ASN  19  10.906 -10.882   1.809
  135   2HD2  ASN  19          HD22      ASN  19  10.135 -11.309   0.359
  136    H    TYR  20           HN       TYR  20   8.968  -8.084   0.006
  137    HA   TYR  20           HA       TYR  20   9.525  -6.463  -2.268
  138   1HB   TYR  20          HB2       TYR  20   8.131  -8.338  -2.573
  139   2HB   TYR  20          HB1       TYR  20   7.138  -7.942  -1.171
  140    HD1  TYR  20           HD1      TYR  20   4.959  -7.455  -1.828
  141    HD2  TYR  20           HD2      TYR  20   8.233  -5.983  -4.187
  142    HE1  TYR  20           HE1      TYR  20   3.362  -6.247  -3.291
  143    HE2  TYR  20           HE2      TYR  20   6.635  -4.775  -5.650
  144    HH   TYR  20           HH       TYR  20   4.469  -4.515  -6.182
  145    H    CYS  21           HN       CYS  21   7.078  -5.994   0.311
  146    HA   CYS  21           HA       CYS  21   6.146  -3.445  -0.579
  147   1HB   CYS  21          HB2       CYS  21   6.182  -5.032   1.967
  148   2HB   CYS  21          HB1       CYS  21   5.642  -3.354   2.028
  149    H    ASP  22           HN       ASP  22   8.889  -4.393   1.452
  150    HA   ASP  22           HA       ASP  22   9.577  -1.870   2.555
  151   1HB   ASP  22          HB2       ASP  22  10.578  -3.996   3.226
  152   2HB   ASP  22          HB1       ASP  22  11.269  -4.210   1.617
  153    H    ASN  23           HN       ASN  23  11.006  -3.402  -0.365
  154    HA   ASN  23           HA       ASN  23  12.396  -1.069  -1.257
  155   1HB   ASN  23          HB2       ASN  23  12.979  -3.236  -2.093
  156   2HB   ASN  23          HB1       ASN  23  11.321  -3.562  -2.601
  157   1HD2  ASN  23          HD21      ASN  23  11.157  -3.428  -4.837
  158   2HD2  ASN  23          HD22      ASN  23  11.970  -2.301  -5.812
  159    H    GLN  24           HN       GLN  24   9.121  -2.283  -1.922
  160    HA   GLN  24           HA       GLN  24   8.451  -0.337  -3.941
  161   1HB   GLN  24          HB2       GLN  24   7.238  -2.422  -3.677
  162   2HB   GLN  24          HB1       GLN  24   6.833  -2.023  -2.006
  163   1HG   GLN  24          HG2       GLN  24   4.921  -1.141  -2.825
  164   2HG   GLN  24          HG1       GLN  24   5.920   0.179  -3.432
  165   1HE2  GLN  24          HE21      GLN  24   6.833  -0.144  -5.702
  166   2HE2  GLN  24          HE22      GLN  24   5.923  -1.051  -6.812
  167    H    CYS  25           HN       CYS  25   7.292  -0.547  -0.545
  168    HA   CYS  25           HA       CYS  25   6.069   1.933  -0.291
  169   1HB   CYS  25          HB2       CYS  25   7.810   0.322   1.592
  170   2HB   CYS  25          HB1       CYS  25   6.930   1.752   2.127
  171    H    LYS  26           HN       LYS  26   9.554   1.252   0.168
  172    HA   LYS  26           HA       LYS  26  10.415   3.892   0.754
  173   1HB   LYS  26          HB2       LYS  26  11.562   1.483   0.625
  174   2HB   LYS  26          HB1       LYS  26  12.047   2.063  -0.968
  175   1HG   LYS  26          HG2       LYS  26  13.046   4.066   0.047
  176   2HG   LYS  26          HG1       LYS  26  12.543   3.515   1.646
  177   1HD   LYS  26          HD2       LYS  26  13.856   1.322   0.938
  178   2HD   LYS  26          HD1       LYS  26  14.695   2.442  -0.136
  179   1HE   LYS  26          HE2       LYS  26  15.003   3.941   1.947
  180   2HE   LYS  26          HE1       LYS  26  14.556   2.502   2.884
  181   1HZ   LYS  26          HZ1       LYS  26  17.024   3.060   1.705
  182   2HZ   LYS  26          HZ2       LYS  26  16.352   1.761   0.842
  183   3HZ   LYS  26          HZ3       LYS  26  16.561   1.650   2.524
  184    H    MET  27           HN       MET  27   9.977   2.240  -2.376
  185    HA   MET  27           HA       MET  27  10.961   4.331  -4.057
  186   1HB   MET  27          HB2       MET  27   9.112   1.975  -4.294
  187   2HB   MET  27          HB1       MET  27   9.229   3.102  -5.647
  188   1HG   MET  27          HG2       MET  27  11.836   2.803  -5.227
  189   2HG   MET  27          HG1       MET  27  11.313   1.276  -4.515
  190   1HE   MET  27          HE1       MET  27   9.065   0.479  -5.541
  191   2HE   MET  27          HE2       MET  27   9.997  -0.810  -6.298
  192   3HE   MET  27          HE3       MET  27   8.845   0.115  -7.258
  193    H    LYS  28           HN       LYS  28   7.843   3.799  -2.500
  194    HA   LYS  28           HA       LYS  28   6.547   6.026  -3.940
  195   1HB   LYS  28          HB2       LYS  28   5.733   4.161  -1.685
  196   2HB   LYS  28          HB1       LYS  28   4.649   5.338  -2.428
  197   1HG   LYS  28          HG2       LYS  28   6.060   3.082  -3.885
  198   2HG   LYS  28          HG1       LYS  28   4.354   3.105  -3.439
  199   1HD   LYS  28          HD2       LYS  28   4.275   5.349  -4.758
  200   2HD   LYS  28          HD1       LYS  28   5.789   4.795  -5.476
  201   1HE   LYS  28          HE2       LYS  28   3.784   4.128  -6.830
  202   2HE   LYS  28          HE1       LYS  28   4.691   2.722  -6.238
  203   1HZ   LYS  28          HZ1       LYS  28   2.079   3.060  -5.807
  204   2HZ   LYS  28          HZ2       LYS  28   2.706   3.810  -4.418
  205   3HZ   LYS  28          HZ3       LYS  28   3.091   2.191  -4.760
  206    H    LYS  29           HN       LYS  29   8.899   6.161  -1.816
  207    HA   LYS  29           HA       LYS  29   9.602   7.850  -0.320
  208   1HB   LYS  29          HB2       LYS  29   8.101   9.149  -1.994
  209   2HB   LYS  29          HB1       LYS  29   6.888   9.105  -0.713
  210   1HG   LYS  29          HG2       LYS  29   8.148  10.435   0.717
  211   2HG   LYS  29          HG1       LYS  29   9.674   9.989  -0.046
  212   1HD   LYS  29          HD2       LYS  29   8.653  11.201  -2.145
  213   2HD   LYS  29          HD1       LYS  29   7.622  11.988  -0.948
  214   1HE   LYS  29          HE2       LYS  29   9.783  12.536   0.334
  215   2HE   LYS  29          HE1       LYS  29  10.642  12.077  -1.151
  216   1HZ   LYS  29          HZ1       LYS  29   8.318  13.780  -1.508
  217   2HZ   LYS  29          HZ2       LYS  29   9.831  13.832  -2.279
  218   3HZ   LYS  29          HZ3       LYS  29   9.636  14.516  -0.736
  219    H    ALA  30           HN       ALA  30   8.740   5.567   0.879
  220    HA   ALA  30           HA       ALA  30   6.942   6.508   3.093
  221   1HB   ALA  30          HB1       ALA  30   7.449   3.726   1.989
  222   2HB   ALA  30          HB2       ALA  30   6.036   4.720   1.636
  223   3HB   ALA  30          HB3       ALA  30   6.311   4.127   3.275
  224    H    SER  31           HN       SER  31   7.490   5.587   5.240
  225    HA   SER  31           HA       SER  31  10.437   5.112   5.521
  226   1HB   SER  31          HB2       SER  31   8.770   5.856   7.856
  227   2HB   SER  31          HB1       SER  31  10.333   6.488   7.349
  228    HG   SER  31           HG       SER  31   8.868   8.094   6.988
  229    H    GLY  32           HN       GLY  32   7.234   3.881   6.278
  230   1HA   GLY  32          HA2       GLY  32   8.525   1.508   7.566
  231   2HA   GLY  32          HA1       GLY  32   6.982   2.154   8.124
  232    H    GLY  33           HN       GLY  33   8.561   0.691   5.290
  233   1HA   GLY  33          HA2       GLY  33   5.919   0.060   4.121
  234   2HA   GLY  33          HA1       GLY  33   7.483  -0.236   3.360
  235    H    HIS  34           HN       HIS  34   4.915  -1.822   4.613
  236    HA   HIS  34           HA       HIS  34   6.451  -4.312   4.934
  237   1HB   HIS  34          HB2       HIS  34   5.869  -4.650   7.238
  238   2HB   HIS  34          HB1       HIS  34   6.493  -3.005   7.132
  239    HD1  HIS  34           HD1      HIS  34   5.090  -1.447   8.456
  240    HD2  HIS  34           HD2      HIS  34   2.783  -4.444   6.702
  241    HE1  HIS  34           HE1      HIS  34   2.691  -0.992   9.128
  242    H    CYS  35           HN       CYS  35   5.034  -6.183   4.898
  243    HA   CYS  35           HA       CYS  35   2.527  -5.731   3.459
  244   1HB   CYS  35          HB2       CYS  35   3.919  -7.567   2.817
  245   2HB   CYS  35          HB1       CYS  35   4.075  -8.122   4.482
  246    H    TYR  36           HN       TYR  36   0.457  -5.870   4.322
  247    HA   TYR  36           HA       TYR  36   0.047  -7.027   7.018
  248   1HB   TYR  36          HB2       TYR  36   0.674  -4.364   6.732
  249   2HB   TYR  36          HB1       TYR  36  -1.089  -4.323   6.708
  250    HD1  TYR  36           HD1      TYR  36   1.873  -5.395   8.673
  251    HD2  TYR  36           HD2      TYR  36  -2.384  -4.820   8.667
  252    HE1  TYR  36           HE1      TYR  36   1.828  -5.713  11.132
  253    HE2  TYR  36           HE2      TYR  36  -2.430  -5.137  11.127
  254    HH   TYR  36           HH       TYR  36  -1.186  -5.982  12.894
  255    H    ALA  37           HN       ALA  37  -2.044  -7.830   7.224
  256    HA   ALA  37           HA       ALA  37  -4.199  -8.508   6.520
  257   1HB   ALA  37          HB1       ALA  37  -5.435  -6.480   5.450
  258   2HB   ALA  37          HB2       ALA  37  -3.938  -5.600   5.760
  259   3HB   ALA  37          HB3       ALA  37  -4.838  -6.307   7.101
  260    H    MET  38           HN       MET  38  -2.025  -9.183   4.719
  261    HA   MET  38           HA       MET  38  -1.746  -9.983   2.510
  262   1HB   MET  38          HB2       MET  38  -4.327 -10.436   3.329
  263   2HB   MET  38          HB1       MET  38  -4.589  -9.514   1.848
  264   1HG   MET  38          HG2       MET  38  -2.678 -11.851   1.941
  265   2HG   MET  38          HG1       MET  38  -4.394 -12.069   1.601
  266   1HE   MET  38          HE1       MET  38  -3.984 -12.679  -1.605
  267   2HE   MET  38          HE2       MET  38  -3.329 -13.287  -0.087
  268   3HE   MET  38          HE3       MET  38  -2.235 -12.702  -1.337
  269    H    SER  39           HN       SER  39  -2.134  -6.916   3.258
  270    HA   SER  39           HA       SER  39  -2.174  -5.993   0.406
  271   1HB   SER  39          HB2       SER  39  -3.680  -5.075   2.834
  272   2HB   SER  39          HB1       SER  39  -3.253  -3.890   1.603
  273    HG   SER  39           HG       SER  39  -4.217  -5.439   0.084
  274    H    CYS  40           HN       CYS  40  -0.504  -4.583  -0.083
  275    HA   CYS  40           HA       CYS  40   1.701  -4.257   1.724
  276   1HB   CYS  40          HB2       CYS  40   1.493  -4.211  -0.879
  277   2HB   CYS  40          HB1       CYS  40   1.129  -2.500  -0.657
  278    H    TYR  41           HN       TYR  41   2.130  -2.640   3.187
  279    HA   TYR  41           HA       TYR  41   0.398  -0.191   3.148
  280   1HB   TYR  41          HB2       TYR  41  -0.376  -1.823   4.826
  281   2HB   TYR  41          HB1       TYR  41   1.249  -1.905   5.507
  282    HD1  TYR  41           HD1      TYR  41   2.023  -0.269   7.051
  283    HD2  TYR  41           HD2      TYR  41  -1.626   0.380   4.881
  284    HE1  TYR  41           HE1      TYR  41   1.523   1.697   8.480
  285    HE2  TYR  41           HE2      TYR  41  -2.128   2.343   6.310
  286    HH   TYR  41           HH       TYR  41  -1.452   3.612   7.990
  287    H    CYS  42           HN       CYS  42   1.685   1.610   3.053
  288    HA   CYS  42           HA       CYS  42   4.516   1.363   4.009
  289   1HB   CYS  42          HB2       CYS  42   3.343   3.325   2.019
  290   2HB   CYS  42          HB1       CYS  42   5.046   2.954   2.284
  291    H    GLU  43           HN       GLU  43   5.206   2.799   5.576
  292    HA   GLU  43           HA       GLU  43   3.220   4.812   6.554
  293   1HB   GLU  43          HB2       GLU  43   3.765   3.303   8.280
  294   2HB   GLU  43          HB1       GLU  43   5.449   3.186   7.770
  295   1HG   GLU  43          HG2       GLU  43   5.977   5.333   8.646
  296   2HG   GLU  43          HG1       GLU  43   4.276   5.770   8.809
  297    H    GLY  44           HN       GLY  44   3.699   6.739   5.500
  298   1HA   GLY  44          HA2       GLY  44   5.431   8.622   6.034
  299   2HA   GLY  44          HA1       GLY  44   6.567   7.518   5.259
  300    H    LEU  45           HN       LEU  45   3.733   7.005   3.677
  301    HA   LEU  45           HA       LEU  45   4.482   8.020   1.189
  302   1HB   LEU  45          HB2       LEU  45   1.833   7.527   2.550
  303   2HB   LEU  45          HB1       LEU  45   1.893   8.089   0.879
  304    HG   LEU  45           HG       LEU  45   3.627   5.774   1.634
  305   1HD1  LEU  45          HD11      LEU  45   0.683   5.824   1.795
  306   2HD1  LEU  45          HD12      LEU  45   1.826   4.658   2.460
  307   3HD1  LEU  45          HD13      LEU  45   1.330   4.542   0.772
  308   1HD2  LEU  45          HD21      LEU  45   3.690   6.754  -0.632
  309   2HD2  LEU  45          HD22      LEU  45   1.954   6.488  -0.799
  310   3HD2  LEU  45          HD23      LEU  45   3.050   5.110  -0.683
  311    HA   PRO  46           HA       PRO  46   3.979  12.377   1.363
  312   1HB   PRO  46          HB2       PRO  46   2.933  12.930  -1.106
  313   2HB   PRO  46          HB1       PRO  46   4.624  12.459  -0.854
  314   1HG   PRO  46          HG2       PRO  46   2.327  10.822  -1.796
  315   2HG   PRO  46          HG1       PRO  46   4.020  10.797  -2.312
  316   1HD   PRO  46          HD2       PRO  46   2.929   8.955  -0.618
  317   2HD   PRO  46          HD1       PRO  46   4.651   9.391  -0.623
  318    H    GLU  47           HN       GLU  47   2.399  13.892   1.967
  319    HA   GLU  47           HA       GLU  47  -0.093  13.159   2.934
  320   1HB   GLU  47          HB2       GLU  47   1.182  15.343   3.155
  321   2HB   GLU  47          HB1       GLU  47   0.535  15.795   1.578
  322   1HG   GLU  47          HG2       GLU  47  -1.781  15.346   2.524
  323   2HG   GLU  47          HG1       GLU  47  -1.020  15.224   4.111
  324    H    ASN  48           HN       ASN  48   0.793  13.742  -0.408
  325    HA   ASN  48           HA       ASN  48  -2.079  13.457  -1.219
  326   1HB   ASN  48          HB2       ASN  48  -1.357  14.602  -3.264
  327   2HB   ASN  48          HB1       ASN  48  -0.830  15.529  -1.859
  328   1HD2  ASN  48          HD21      ASN  48   0.734  16.241  -3.815
  329   2HD2  ASN  48          HD22      ASN  48   2.202  15.392  -3.887
  330    H    ALA  49           HN       ALA  49  -0.232  11.224  -0.483
  331    HA   ALA  49           HA       ALA  49   0.744   9.916  -2.860
  332   1HB   ALA  49          HB1       ALA  49  -0.182   8.482  -0.386
  333   2HB   ALA  49          HB2       ALA  49   1.174   9.604  -0.277
  334   3HB   ALA  49          HB3       ALA  49   1.269   8.206  -1.349
  335    H    LYS  50           HN       LYS  50  -0.203   7.976  -3.850
  336    HA   LYS  50           HA       LYS  50  -3.160   8.164  -4.054
  337   1HB   LYS  50          HB2       LYS  50  -1.229   7.987  -5.908
  338   2HB   LYS  50          HB1       LYS  50  -1.476   6.262  -5.635
  339   1HG   LYS  50          HG2       LYS  50  -4.062   7.181  -5.790
  340   2HG   LYS  50          HG1       LYS  50  -3.236   8.220  -6.952
  341   1HD   LYS  50          HD2       LYS  50  -3.227   5.191  -6.907
  342   2HD   LYS  50          HD1       LYS  50  -4.002   6.225  -8.107
  343   1HE   LYS  50          HE2       LYS  50  -2.054   6.531  -9.241
  344   2HE   LYS  50          HE1       LYS  50  -1.142   6.826  -7.747
  345   1HZ   LYS  50          HZ1       LYS  50  -1.697   4.279  -7.410
  346   2HZ   LYS  50          HZ2       LYS  50  -0.318   4.785  -8.262
  347   3HZ   LYS  50          HZ3       LYS  50  -1.711   4.299  -9.106
  348    H    VAL  51           HN       VAL  51  -3.170   7.189  -1.728
  349    HA   VAL  51           HA       VAL  51  -3.007   4.195  -1.900
  350    HB   VAL  51           HB       VAL  51  -2.579   4.368   0.575
  351   1HG1  VAL  51          HG11      VAL  51  -0.463   4.204  -0.170
  352   2HG1  VAL  51          HG12      VAL  51  -0.371   5.965  -0.121
  353   3HG1  VAL  51          HG13      VAL  51  -0.847   5.148  -1.610
  354   1HG2  VAL  51          HG21      VAL  51  -2.693   6.352   1.673
  355   2HG2  VAL  51          HG22      VAL  51  -3.564   6.934   0.254
  356   3HG2  VAL  51          HG23      VAL  51  -1.827   7.204   0.394
  357    H    SER  52           HN       SER  52  -4.524   3.170  -0.197
  358    HA   SER  52           HA       SER  52  -7.224   4.293  -0.573
  359   1HB   SER  52          HB2       SER  52  -6.737   1.906  -0.905
  360   2HB   SER  52          HB1       SER  52  -6.148   1.780   0.750
  361    HG   SER  52           HG       SER  52  -8.623   1.517  -0.124
  362    H    ASP  53           HN       ASP  53  -8.399   5.288   1.046
  363    HA   ASP  53           HA       ASP  53  -7.012   5.969   3.553
  364   1HB   ASP  53          HB2       ASP  53  -8.961   7.451   3.821
  365   2HB   ASP  53          HB1       ASP  53  -8.313   7.592   2.187
  366    H    SER  54           HN       SER  54  -8.105   3.139   2.938
  367    HA   SER  54           HA       SER  54  -9.359   2.757   5.591
  368   1HB   SER  54          HB2       SER  54 -11.367   1.795   4.670
  369   2HB   SER  54          HB1       SER  54 -11.124   3.338   3.856
  370    HG   SER  54           HG       SER  54 -11.234   0.871   2.816
  371    H    ALA  55           HN       ALA  55  -8.729   0.801   6.436
  372    HA   ALA  55           HA       ALA  55  -6.811  -0.856   5.051
  373   1HB   ALA  55          HB1       ALA  55  -8.466  -1.240   7.568
  374   2HB   ALA  55          HB2       ALA  55  -6.855  -0.526   7.481
  375   3HB   ALA  55          HB3       ALA  55  -7.082  -2.238   7.120
  376    H    THR  56           HN       THR  56 -10.163  -0.656   4.766
  377    HA   THR  56           HA       THR  56 -10.270  -3.378   3.540
  378    HB   THR  56           HB       THR  56 -12.022  -2.180   5.694
  379    HG1  THR  56           HG1      THR  56 -11.450  -4.032   6.749
  380   1HG2  THR  56          HG21      THR  56 -13.358  -4.381   5.291
  381   2HG2  THR  56          HG22      THR  56 -12.647  -4.323   3.678
  382   3HG2  THR  56          HG23      THR  56 -13.669  -3.000   4.239
  383    H    ASN  57           HN       ASN  57 -10.650  -2.748   1.417
  384    HA   ASN  57           HA       ASN  57 -13.106  -1.134   0.914
  385   1HB   ASN  57          HB2       ASN  57 -11.937   0.437  -0.418
  386   2HB   ASN  57          HB1       ASN  57 -10.879   0.203   0.973
  387   1HD2  ASN  57          HD21      ASN  57 -10.140   0.967  -1.855
  388   2HD2  ASN  57          HD22      ASN  57  -9.030  -0.215  -2.360
  389    H    ILE  58           HN       ILE  58 -13.528  -1.172  -1.584
  390    HA   ILE  58           HA       ILE  58 -12.622  -3.745  -2.793
  391    HB   ILE  58           HB       ILE  58 -15.441  -2.698  -2.399
  392   1HG1  ILE  58          HG12      ILE  58 -14.136  -5.292  -1.518
  393   2HG1  ILE  58          HG11      ILE  58 -14.333  -3.882  -0.476
  394   1HG2  ILE  58          HG21      ILE  58 -15.478  -5.300  -3.468
  395   2HG2  ILE  58          HG22      ILE  58 -14.324  -4.399  -4.451
  396   3HG2  ILE  58          HG23      ILE  58 -15.978  -3.813  -4.275
  397   1HD1  ILE  58          HD11      ILE  58 -16.622  -4.136  -0.324
  398   2HD1  ILE  58          HD12      ILE  58 -16.162  -5.826  -0.535
  399   3HD1  ILE  58          HD13      ILE  58 -16.750  -4.893  -1.911
  400    H    CYS  59           HN       CYS  59 -12.727  -3.709  -5.136
  401    HA   CYS  59           HA       CYS  59 -13.446  -1.089  -6.380
  402   1HB   CYS  59          HB2       CYS  59 -11.271  -1.182  -7.597
  403   2HB   CYS  59          HB1       CYS  59 -11.053  -1.062  -5.851
  404    H    GLY  60           HN       GLY  60 -15.288  -2.373  -7.191
  405   1HA   GLY  60          HA2       GLY  60 -14.499  -4.040  -9.539
  406   2HA   GLY  60          HA1       GLY  60 -15.767  -4.595  -8.444
  Start of MODEL   17
    1   1H    LYS   1          HT1       LYS   1   2.086  11.190   2.432
    2   2H    LYS   1          HT2       LYS   1   3.370  11.059   3.537
    3   3H    LYS   1          HT3       LYS   1   2.330  12.402   3.594
    4    HA   LYS   1           HA       LYS   1   1.694  10.960   5.371
    5   1HB   LYS   1          HB2       LYS   1  -0.630  10.558   4.611
    6   2HB   LYS   1          HB1       LYS   1  -0.035  12.113   4.028
    7   1HG   LYS   1          HG2       LYS   1   0.274  11.311   1.831
    8   2HG   LYS   1          HG1       LYS   1   0.236   9.624   2.347
    9   1HD   LYS   1          HD2       LYS   1  -2.215  10.544   3.203
   10   2HD   LYS   1          HD1       LYS   1  -1.992  11.431   1.695
   11   1HE   LYS   1          HE2       LYS   1  -1.188   8.640   1.404
   12   2HE   LYS   1          HE1       LYS   1  -2.883   8.791   1.910
   13   1HZ   LYS   1          HZ1       LYS   1  -3.431  10.008   0.077
   14   2HZ   LYS   1          HZ2       LYS   1  -2.198   9.057  -0.604
   15   3HZ   LYS   1          HZ3       LYS   1  -1.874  10.652  -0.113
   16    H    ASP   2           HN       ASP   2   0.913   8.784   5.997
   17    HA   ASP   2           HA       ASP   2   2.238   6.650   4.382
   18   1HB   ASP   2          HB2       ASP   2   1.065   6.374   7.151
   19   2HB   ASP   2          HB1       ASP   2   2.419   5.498   6.439
   20    H    GLY   3           HN       GLY   3   1.022   4.583   4.107
   21   1HA   GLY   3          HA2       GLY   3  -1.634   4.086   4.778
   22   2HA   GLY   3          HA1       GLY   3  -1.734   5.087   3.330
   23    H    TYR   4           HN       TYR   4  -2.775   3.039   2.522
   24    HA   TYR   4           HA       TYR   4  -0.767   0.981   1.685
   25   1HB   TYR   4          HB2       TYR   4  -3.805   0.930   1.714
   26   2HB   TYR   4          HB1       TYR   4  -2.747  -0.446   1.406
   27    HD1  TYR   4           HD1      TYR   4  -2.046  -1.802   3.188
   28    HD2  TYR   4           HD2      TYR   4  -3.489   2.164   3.994
   29    HE1  TYR   4           HE1      TYR   4  -1.932  -2.254   5.625
   30    HE2  TYR   4           HE2      TYR   4  -3.374   1.711   6.429
   31    HH   TYR   4           HH       TYR   4  -2.009  -1.310   7.673
   32    HA   PRO   5           HA       PRO   5  -1.193   2.781  -2.349
   33   1HB   PRO   5          HB2       PRO   5   0.204   0.881  -3.724
   34   2HB   PRO   5          HB1       PRO   5   0.987   2.116  -2.716
   35   1HG   PRO   5          HG2       PRO   5   0.447  -0.747  -2.124
   36   2HG   PRO   5          HG1       PRO   5   1.834   0.259  -1.678
   37   1HD   PRO   5          HD2       PRO   5  -0.214  -0.394   0.031
   38   2HD   PRO   5          HD1       PRO   5   0.818   1.043   0.207
   39    H    VAL   6           HN       VAL   6  -2.691   2.520  -3.997
   40    HA   VAL   6           HA       VAL   6  -4.112  -0.125  -4.162
   41    HB   VAL   6           HB       VAL   6  -6.052   1.335  -4.884
   42   1HG1  VAL   6          HG11      VAL   6  -4.790   1.741  -2.160
   43   2HG1  VAL   6          HG12      VAL   6  -6.007   0.547  -2.611
   44   3HG1  VAL   6          HG13      VAL   6  -6.430   2.258  -2.553
   45   1HG2  VAL   6          HG21      VAL   6  -5.847   3.598  -5.055
   46   2HG2  VAL   6          HG22      VAL   6  -4.127   3.249  -5.228
   47   3HG2  VAL   6          HG23      VAL   6  -4.781   3.704  -3.654
   48    H    ASP   7           HN       ASP   7  -5.180  -0.371  -6.411
   49    HA   ASP   7           HA       ASP   7  -3.166   0.431  -8.473
   50   1HB   ASP   7          HB2       ASP   7  -4.031  -1.556  -9.663
   51   2HB   ASP   7          HB1       ASP   7  -3.535  -1.975  -8.023
   52    H    SER   8           HN       SER   8  -4.463   0.280 -10.783
   53    HA   SER   8           HA       SER   8  -6.001   2.647 -11.012
   54   1HB   SER   8          HB2       SER   8  -6.567   1.636 -13.259
   55   2HB   SER   8          HB1       SER   8  -4.848   1.608 -12.875
   56    HG   SER   8           HG       SER   8  -6.455  -0.553 -12.105
   57    H    LYS   9           HN       LYS   9  -6.955  -0.555 -10.020
   58    HA   LYS   9           HA       LYS   9  -9.818  -0.105 -10.572
   59   1HB   LYS   9          HB2       LYS   9  -8.508  -2.310 -10.698
   60   2HB   LYS   9          HB1       LYS   9  -8.521  -2.294  -8.934
   61   1HG   LYS   9          HG2       LYS   9 -10.429  -3.569  -9.514
   62   2HG   LYS   9          HG1       LYS   9 -11.074  -1.971  -9.140
   63   1HD   LYS   9          HD2       LYS   9 -10.878  -1.450 -11.629
   64   2HD   LYS   9          HD1       LYS   9 -10.575  -3.171 -11.872
   65   1HE   LYS   9          HE2       LYS   9 -12.911  -2.639 -10.159
   66   2HE   LYS   9          HE1       LYS   9 -13.087  -2.031 -11.817
   67   1HZ   LYS   9          HZ1       LYS   9 -12.463  -4.146 -12.688
   68   2HZ   LYS   9          HZ2       LYS   9 -13.699  -4.414 -11.553
   69   3HZ   LYS   9          HZ3       LYS   9 -12.083  -4.745 -11.147
   70    H    GLY  10           HN       GLY  10  -7.563   0.200  -7.886
   71   1HA   GLY  10          HA2       GLY  10  -8.173   1.744  -6.062
   72   2HA   GLY  10          HA1       GLY  10  -9.837   1.179  -6.213
   73    H    CYS  11           HN       CYS  11  -7.858  -1.461  -6.593
   74    HA   CYS  11           HA       CYS  11  -8.493  -2.440  -3.886
   75   1HB   CYS  11          HB2       CYS  11  -6.968  -3.809  -6.117
   76   2HB   CYS  11          HB1       CYS  11  -7.906  -4.565  -4.829
   77    H    LYS  12           HN       LYS  12  -6.974  -2.695  -2.259
   78    HA   LYS  12           HA       LYS  12  -4.480  -1.300  -2.352
   79   1HB   LYS  12          HB2       LYS  12  -5.493  -3.518  -0.540
   80   2HB   LYS  12          HB1       LYS  12  -4.151  -2.435  -0.166
   81   1HG   LYS  12          HG2       LYS  12  -5.526  -0.620   0.188
   82   2HG   LYS  12          HG1       LYS  12  -6.734  -1.180  -0.969
   83   1HD   LYS  12          HD2       LYS  12  -7.883  -1.628   0.972
   84   2HD   LYS  12          HD1       LYS  12  -6.985  -3.141   0.840
   85   1HE   LYS  12          HE2       LYS  12  -5.586  -0.903   2.226
   86   2HE   LYS  12          HE1       LYS  12  -6.941  -1.655   3.091
   87   1HZ   LYS  12          HZ1       LYS  12  -4.896  -2.879   3.494
   88   2HZ   LYS  12          HZ2       LYS  12  -4.671  -3.099   1.824
   89   3HZ   LYS  12          HZ3       LYS  12  -5.988  -3.830   2.612
   90    H    LEU  13           HN       LEU  13  -2.318  -2.177  -2.386
   91    HA   LEU  13           HA       LEU  13  -1.973  -4.433  -4.214
   92   1HB   LEU  13          HB2       LEU  13  -0.668  -2.162  -3.862
   93   2HB   LEU  13          HB1       LEU  13   0.217  -3.089  -2.652
   94    HG   LEU  13           HG       LEU  13   0.654  -4.832  -4.427
   95   1HD1  LEU  13          HD11      LEU  13  -0.148  -2.691  -6.396
   96   2HD1  LEU  13          HD12      LEU  13  -1.304  -3.908  -5.857
   97   3HD1  LEU  13          HD13      LEU  13   0.165  -4.400  -6.697
   98   1HD2  LEU  13          HD21      LEU  13   2.613  -3.770  -4.883
   99   2HD2  LEU  13          HD22      LEU  13   1.977  -2.482  -3.861
  100   3HD2  LEU  13          HD23      LEU  13   1.795  -2.389  -5.612
  101    H    SER  14           HN       SER  14  -2.503  -6.394  -3.192
  102    HA   SER  14           HA       SER  14  -2.128  -7.145  -0.517
  103   1HB   SER  14          HB2       SER  14  -1.978  -8.657  -3.134
  104   2HB   SER  14          HB1       SER  14  -1.939  -9.477  -1.576
  105    HG   SER  14           HG       SER  14  -3.994  -7.997  -2.792
  106    H    CYS  15           HN       CYS  15  -0.404  -8.549   0.425
  107    HA   CYS  15           HA       CYS  15   2.258  -8.305  -0.903
  108   1HB   CYS  15          HB2       CYS  15   3.158  -7.440   1.265
  109   2HB   CYS  15          HB1       CYS  15   1.968  -6.354   0.546
  110    H    VAL  16           HN       VAL  16   3.650 -10.021  -0.393
  111    HA   VAL  16           HA       VAL  16   2.516 -12.154   1.390
  112    HB   VAL  16           HB       VAL  16   2.723 -12.595  -1.081
  113   1HG1  VAL  16          HG11      VAL  16   5.126 -12.996  -1.855
  114   2HG1  VAL  16          HG12      VAL  16   5.633 -12.098  -0.423
  115   3HG1  VAL  16          HG13      VAL  16   4.652 -11.308  -1.658
  116   1HG2  VAL  16          HG21      VAL  16   4.689 -14.265   0.504
  117   2HG2  VAL  16          HG22      VAL  16   3.639 -14.788  -0.813
  118   3HG2  VAL  16          HG23      VAL  16   2.946 -14.370   0.754
  119    H    ALA  17           HN       ALA  17   5.199 -10.036   0.788
  120    HA   ALA  17           HA       ALA  17   6.615 -11.171   3.159
  121   1HB   ALA  17          HB1       ALA  17   7.365 -11.890   0.697
  122   2HB   ALA  17          HB2       ALA  17   8.561 -11.567   1.953
  123   3HB   ALA  17          HB3       ALA  17   8.187 -10.331   0.752
  124    H    ASN  18           HN       ASN  18   8.258  -9.581   3.998
  125    HA   ASN  18           HA       ASN  18   7.186  -6.856   3.950
  126   1HB   ASN  18          HB2       ASN  18   9.342  -8.409   5.349
  127   2HB   ASN  18          HB1       ASN  18   9.381  -6.646   5.430
  128   1HD2  ASN  18          HD21      ASN  18   8.939  -7.583   7.864
  129   2HD2  ASN  18          HD22      ASN  18   7.299  -7.585   8.303
  130    H    ASN  19           HN       ASN  19  10.289  -8.369   2.956
  131    HA   ASN  19           HA       ASN  19  11.702  -6.174   2.017
  132   1HB   ASN  19          HB2       ASN  19  12.862  -7.764   0.685
  133   2HB   ASN  19          HB1       ASN  19  12.179  -8.729   1.991
  134   1HD2  ASN  19          HD21      ASN  19  11.155 -10.580   1.266
  135   2HD2  ASN  19          HD22      ASN  19  10.405 -10.763  -0.245
  136    H    TYR  20           HN       TYR  20   8.943  -7.776   0.501
  137    HA   TYR  20           HA       TYR  20   8.921  -6.632  -2.061
  138   1HB   TYR  20          HB2       TYR  20   7.391  -8.361  -1.234
  139   2HB   TYR  20          HB1       TYR  20   6.673  -7.216  -0.103
  140    HD1  TYR  20           HD1      TYR  20   5.032  -5.620  -0.811
  141    HD2  TYR  20           HD2      TYR  20   7.093  -8.045  -3.696
  142    HE1  TYR  20           HE1      TYR  20   3.428  -4.902  -2.560
  143    HE2  TYR  20           HE2      TYR  20   5.490  -7.325  -5.446
  144    HH   TYR  20           HH       TYR  20   3.937  -5.612  -5.922
  145    H    CYS  21           HN       CYS  21   7.232  -5.354   0.826
  146    HA   CYS  21           HA       CYS  21   6.541  -2.831  -0.379
  147   1HB   CYS  21          HB2       CYS  21   6.776  -3.846   2.468
  148   2HB   CYS  21          HB1       CYS  21   6.062  -2.291   2.051
  149    H    ASP  22           HN       ASP  22   9.255  -3.897   1.659
  150    HA   ASP  22           HA       ASP  22  10.440  -1.502   2.414
  151   1HB   ASP  22          HB2       ASP  22  11.163  -3.899   2.828
  152   2HB   ASP  22          HB1       ASP  22  11.906  -3.873   1.227
  153    H    ASN  23           HN       ASN  23  11.450  -3.226  -0.574
  154    HA   ASN  23           HA       ASN  23  12.822  -0.953  -1.662
  155   1HB   ASN  23          HB2       ASN  23  12.847  -3.563  -2.139
  156   2HB   ASN  23          HB1       ASN  23  11.665  -3.125  -3.374
  157   1HD2  ASN  23          HD21      ASN  23  12.393  -1.762  -5.164
  158   2HD2  ASN  23          HD22      ASN  23  14.044  -1.486  -5.451
  159    H    GLN  24           HN       GLN  24   9.652  -2.388  -2.612
  160    HA   GLN  24           HA       GLN  24   8.935  -0.515  -4.581
  161   1HB   GLN  24          HB2       GLN  24   7.737  -2.619  -3.906
  162   2HB   GLN  24          HB1       GLN  24   7.126  -1.767  -2.488
  163   1HG   GLN  24          HG2       GLN  24   5.578  -1.836  -4.541
  164   2HG   GLN  24          HG1       GLN  24   5.855  -0.254  -3.812
  165   1HE2  GLN  24          HE21      GLN  24   6.959   1.336  -5.066
  166   2HE2  GLN  24          HE22      GLN  24   7.479   1.068  -6.659
  167    H    CYS  25           HN       CYS  25   7.772  -0.365  -1.186
  168    HA   CYS  25           HA       CYS  25   6.654   2.165  -1.143
  169   1HB   CYS  25          HB2       CYS  25   8.448   0.785   0.880
  170   2HB   CYS  25          HB1       CYS  25   7.443   2.184   1.260
  171    H    LYS  26           HN       LYS  26  10.110   1.486  -0.458
  172    HA   LYS  26           HA       LYS  26  11.097   4.082  -0.194
  173   1HB   LYS  26          HB2       LYS  26  12.316   1.881   0.005
  174   2HB   LYS  26          HB1       LYS  26  12.369   1.812  -1.757
  175   1HG   LYS  26          HG2       LYS  26  14.072   3.290  -1.864
  176   2HG   LYS  26          HG1       LYS  26  13.284   4.388  -0.732
  177   1HD   LYS  26          HD2       LYS  26  14.541   3.653   0.993
  178   2HD   LYS  26          HD1       LYS  26  14.218   1.965   0.593
  179   1HE   LYS  26          HE2       LYS  26  15.916   2.784  -1.456
  180   2HE   LYS  26          HE1       LYS  26  16.583   3.578  -0.015
  181   1HZ   LYS  26          HZ1       LYS  26  16.663   1.547   1.142
  182   2HZ   LYS  26          HZ2       LYS  26  17.308   1.204  -0.392
  183   3HZ   LYS  26          HZ3       LYS  26  15.716   0.744  -0.014
  184    H    MET  27           HN       MET  27  10.729   2.259  -3.262
  185    HA   MET  27           HA       MET  27  11.649   4.215  -5.061
  186   1HB   MET  27          HB2       MET  27   9.311   2.303  -5.381
  187   2HB   MET  27          HB1       MET  27  10.278   2.991  -6.686
  188   1HG   MET  27          HG2       MET  27  11.917   1.682  -4.644
  189   2HG   MET  27          HG1       MET  27  10.776   0.578  -5.413
  190   1HE   MET  27          HE1       MET  27  12.103  -0.466  -8.406
  191   2HE   MET  27          HE2       MET  27  10.771   0.669  -8.607
  192   3HE   MET  27          HE3       MET  27  10.821  -0.378  -7.191
  193    H    LYS  28           HN       LYS  28   8.569   4.004  -3.356
  194    HA   LYS  28           HA       LYS  28   7.389   6.229  -4.907
  195   1HB   LYS  28          HB2       LYS  28   6.517   4.472  -2.599
  196   2HB   LYS  28          HB1       LYS  28   5.513   5.781  -3.223
  197   1HG   LYS  28          HG2       LYS  28   6.638   3.861  -5.209
  198   2HG   LYS  28          HG1       LYS  28   5.327   3.284  -4.179
  199   1HD   LYS  28          HD2       LYS  28   3.891   4.318  -5.574
  200   2HD   LYS  28          HD1       LYS  28   4.535   5.853  -4.989
  201   1HE   LYS  28          HE2       LYS  28   5.886   6.151  -6.851
  202   2HE   LYS  28          HE1       LYS  28   6.083   4.407  -7.112
  203   1HZ   LYS  28          HZ1       LYS  28   3.365   4.928  -7.283
  204   2HZ   LYS  28          HZ2       LYS  28   4.411   4.511  -8.554
  205   3HZ   LYS  28          HZ3       LYS  28   4.119   6.145  -8.193
  206    H    LYS  29           HN       LYS  29   9.843   6.641  -3.198
  207    HA   LYS  29           HA       LYS  29  10.648   8.402  -1.844
  208   1HB   LYS  29          HB2       LYS  29   8.865   9.571  -3.277
  209   2HB   LYS  29          HB1       LYS  29   7.798   9.413  -1.881
  210   1HG   LYS  29          HG2       LYS  29   9.511  10.583  -0.492
  211   2HG   LYS  29          HG1       LYS  29  10.469  10.840  -1.952
  212   1HD   LYS  29          HD2       LYS  29   7.629  11.817  -1.529
  213   2HD   LYS  29          HD1       LYS  29   9.077  12.820  -1.427
  214   1HE   LYS  29          HE2       LYS  29   9.611  12.248  -3.798
  215   2HE   LYS  29          HE1       LYS  29   8.091  11.336  -3.891
  216   1HZ   LYS  29          HZ1       LYS  29   8.515  14.203  -3.782
  217   2HZ   LYS  29          HZ2       LYS  29   7.273  13.626  -2.775
  218   3HZ   LYS  29          HZ3       LYS  29   7.227  13.323  -4.446
  219    H    ALA  30           HN       ALA  30   8.559   6.056  -0.859
  220    HA   ALA  30           HA       ALA  30   7.882   7.100   1.801
  221   1HB   ALA  30          HB1       ALA  30   6.307   5.550   1.211
  222   2HB   ALA  30          HB2       ALA  30   7.468   4.396   1.868
  223   3HB   ALA  30          HB3       ALA  30   7.413   4.702   0.133
  224    H    SER  31           HN       SER  31   8.510   5.405   3.668
  225    HA   SER  31           HA       SER  31  11.384   4.626   3.386
  226   1HB   SER  31          HB2       SER  31  10.524   5.869   5.938
  227   2HB   SER  31          HB1       SER  31  12.028   6.071   5.045
  228    HG   SER  31           HG       SER  31  10.857   7.968   4.904
  229    H    GLY  32           HN       GLY  32   8.368   4.417   5.259
  230   1HA   GLY  32          HA2       GLY  32   9.359   1.944   6.578
  231   2HA   GLY  32          HA1       GLY  32   7.906   2.835   7.035
  232    H    GLY  33           HN       GLY  33   9.257   0.623   4.632
  233   1HA   GLY  33          HA2       GLY  33   6.509   0.145   3.586
  234   2HA   GLY  33          HA1       GLY  33   7.998  -0.341   2.777
  235    H    HIS  34           HN       HIS  34   5.443  -1.505   4.556
  236    HA   HIS  34           HA       HIS  34   6.875  -4.055   5.053
  237   1HB   HIS  34          HB2       HIS  34   6.159  -4.074   7.406
  238   2HB   HIS  34          HB1       HIS  34   7.137  -2.644   7.081
  239    HD1  HIS  34           HD1      HIS  34   6.111  -0.450   7.686
  240    HD2  HIS  34           HD2      HIS  34   3.233  -3.440   7.294
  241    HE1  HIS  34           HE1      HIS  34   3.907   0.586   8.377
  242    H    CYS  35           HN       CYS  35   5.457  -5.844   5.039
  243    HA   CYS  35           HA       CYS  35   2.815  -5.366   3.847
  244   1HB   CYS  35          HB2       CYS  35   4.153  -7.135   2.957
  245   2HB   CYS  35          HB1       CYS  35   4.502  -7.774   4.565
  246    H    TYR  36           HN       TYR  36   0.853  -5.620   4.899
  247    HA   TYR  36           HA       TYR  36   0.695  -6.972   7.515
  248   1HB   TYR  36          HB2       TYR  36   1.413  -4.351   7.499
  249   2HB   TYR  36          HB1       TYR  36  -0.343  -4.188   7.520
  250    HD1  TYR  36           HD1      TYR  36   2.614  -5.308   9.369
  251    HD2  TYR  36           HD2      TYR  36  -1.678  -5.121   9.379
  252    HE1  TYR  36           HE1      TYR  36   2.595  -5.862  11.787
  253    HE2  TYR  36           HE2      TYR  36  -1.696  -5.673  11.796
  254    HH   TYR  36           HH       TYR  36   0.768  -7.008  13.391
  255    H    ALA  37           HN       ALA  37  -1.513  -7.455   8.067
  256    HA   ALA  37           HA       ALA  37  -3.735  -8.035   7.503
  257   1HB   ALA  37          HB1       ALA  37  -4.210  -5.583   5.985
  258   2HB   ALA  37          HB2       ALA  37  -3.326  -5.271   7.480
  259   3HB   ALA  37          HB3       ALA  37  -4.890  -6.084   7.533
  260    H    MET  38           HN       MET  38  -1.611  -8.787   5.588
  261    HA   MET  38           HA       MET  38  -1.533  -9.800   3.453
  262   1HB   MET  38          HB2       MET  38  -3.962 -10.268   4.339
  263   2HB   MET  38          HB1       MET  38  -4.433  -9.065   3.137
  264   1HG   MET  38          HG2       MET  38  -3.684 -10.371   1.344
  265   2HG   MET  38          HG1       MET  38  -2.603 -11.322   2.363
  266   1HE   MET  38          HE1       MET  38  -3.144 -13.114   1.222
  267   2HE   MET  38          HE2       MET  38  -4.724 -13.295   0.464
  268   3HE   MET  38          HE3       MET  38  -4.293 -14.308   1.840
  269    H    SER  39           HN       SER  39  -1.771  -6.640   4.021
  270    HA   SER  39           HA       SER  39  -1.823  -5.930   1.106
  271   1HB   SER  39          HB2       SER  39  -2.829  -4.330   3.479
  272   2HB   SER  39          HB1       SER  39  -2.917  -3.837   1.791
  273    HG   SER  39           HG       SER  39  -4.025  -6.057   1.640
  274    H    CYS  40           HN       CYS  40  -0.253  -4.405   0.457
  275    HA   CYS  40           HA       CYS  40   2.140  -4.206   2.109
  276   1HB   CYS  40          HB2       CYS  40   2.022  -4.428  -0.397
  277   2HB   CYS  40          HB1       CYS  40   1.375  -2.788  -0.466
  278    H    TYR  41           HN       TYR  41   3.052  -2.195   2.916
  279    HA   TYR  41           HA       TYR  41   1.237   0.169   2.965
  280   1HB   TYR  41          HB2       TYR  41   0.764  -1.338   4.916
  281   2HB   TYR  41          HB1       TYR  41   2.440  -1.137   5.427
  282    HD1  TYR  41           HD1      TYR  41   3.239   0.974   6.351
  283    HD2  TYR  41           HD2      TYR  41  -0.814   0.545   4.992
  284    HE1  TYR  41           HE1      TYR  41   2.634   3.098   7.480
  285    HE2  TYR  41           HE2      TYR  41  -1.417   2.668   6.122
  286    HH   TYR  41           HH       TYR  41   0.034   4.005   8.421
  287    H    CYS  42           HN       CYS  42   2.445   1.997   2.639
  288    HA   CYS  42           HA       CYS  42   5.386   1.841   3.212
  289   1HB   CYS  42          HB2       CYS  42   3.935   3.554   1.171
  290   2HB   CYS  42          HB1       CYS  42   5.673   3.268   1.280
  291    H    GLU  43           HN       GLU  43   6.289   3.552   4.369
  292    HA   GLU  43           HA       GLU  43   4.352   5.543   5.487
  293   1HB   GLU  43          HB2       GLU  43   5.445   3.895   7.013
  294   2HB   GLU  43          HB1       GLU  43   7.018   4.532   6.535
  295   1HG   GLU  43          HG2       GLU  43   6.711   6.525   7.670
  296   2HG   GLU  43          HG1       GLU  43   4.956   6.460   7.521
  297    H    GLY  44           HN       GLY  44   4.564   7.289   4.070
  298   1HA   GLY  44          HA2       GLY  44   6.107   9.370   4.139
  299   2HA   GLY  44          HA1       GLY  44   7.329   8.265   3.512
  300    H    LEU  45           HN       LEU  45   4.016   7.897   2.456
  301    HA   LEU  45           HA       LEU  45   4.808   8.363  -0.320
  302   1HB   LEU  45          HB2       LEU  45   2.254   7.665   1.150
  303   2HB   LEU  45          HB1       LEU  45   2.291   7.891  -0.598
  304    HG   LEU  45           HG       LEU  45   4.200   6.009   0.794
  305   1HD1  LEU  45          HD11      LEU  45   1.314   5.681   0.192
  306   2HD1  LEU  45          HD12      LEU  45   2.322   4.836   1.368
  307   3HD1  LEU  45          HD13      LEU  45   2.357   4.358  -0.329
  308   1HD2  LEU  45          HD21      LEU  45   4.690   6.735  -1.533
  309   2HD2  LEU  45          HD22      LEU  45   3.104   6.150  -2.035
  310   3HD2  LEU  45          HD23      LEU  45   4.319   5.013  -1.451
  311    HA   PRO  46           HA       PRO  46   3.564  12.561  -0.630
  312   1HB   PRO  46          HB2       PRO  46   2.511  12.638  -3.156
  313   2HB   PRO  46          HB1       PRO  46   4.251  12.496  -2.836
  314   1HG   PRO  46          HG2       PRO  46   2.294  10.395  -3.606
  315   2HG   PRO  46          HG1       PRO  46   3.984  10.597  -4.090
  316   1HD   PRO  46          HD2       PRO  46   3.140   8.808  -2.197
  317   2HD   PRO  46          HD1       PRO  46   4.776   9.502  -2.246
  318    H    GLU  47           HN       GLU  47   1.739  13.792  -0.126
  319    HA   GLU  47           HA       GLU  47  -0.649  12.617   0.772
  320   1HB   GLU  47          HB2       GLU  47   0.366  14.972   1.078
  321   2HB   GLU  47          HB1       GLU  47  -0.459  15.384  -0.426
  322   1HG   GLU  47          HG2       GLU  47  -2.428  14.078   1.017
  323   2HG   GLU  47          HG1       GLU  47  -1.568  14.988   2.260
  324    H    ASN  48           HN       ASN  48   0.193  13.723  -2.489
  325    HA   ASN  48           HA       ASN  48  -2.545  13.442  -3.492
  326   1HB   ASN  48          HB2       ASN  48  -1.344  13.883  -5.672
  327   2HB   ASN  48          HB1       ASN  48  -1.049  15.098  -4.429
  328   1HD2  ASN  48          HD21      ASN  48   1.087  15.696  -5.105
  329   2HD2  ASN  48          HD22      ASN  48   2.398  14.620  -5.058
  330    H    ALA  49           HN       ALA  49  -0.454  11.126  -2.500
  331    HA   ALA  49           HA       ALA  49  -0.440   9.313  -4.774
  332   1HB   ALA  49          HB1       ALA  49  -0.239   8.435  -1.913
  333   2HB   ALA  49          HB2       ALA  49   1.006   9.503  -2.559
  334   3HB   ALA  49          HB3       ALA  49   0.722   7.929  -3.302
  335    H    LYS  50           HN       LYS  50  -1.702   7.331  -4.904
  336    HA   LYS  50           HA       LYS  50  -4.456   7.659  -3.828
  337   1HB   LYS  50          HB2       LYS  50  -3.995   7.306  -6.257
  338   2HB   LYS  50          HB1       LYS  50  -3.283   5.740  -5.867
  339   1HG   LYS  50          HG2       LYS  50  -5.410   4.992  -6.249
  340   2HG   LYS  50          HG1       LYS  50  -5.657   5.507  -4.580
  341   1HD   LYS  50          HD2       LYS  50  -6.544   7.635  -5.290
  342   2HD   LYS  50          HD1       LYS  50  -6.103   7.317  -6.968
  343   1HE   LYS  50          HE2       LYS  50  -7.634   5.192  -6.682
  344   2HE   LYS  50          HE1       LYS  50  -8.338   6.126  -5.347
  345   1HZ   LYS  50          HZ1       LYS  50  -9.520   7.020  -7.053
  346   2HZ   LYS  50          HZ2       LYS  50  -8.317   6.711  -8.212
  347   3HZ   LYS  50          HZ3       LYS  50  -8.160   8.029  -7.152
  348    H    VAL  51           HN       VAL  51  -4.652   6.729  -1.805
  349    HA   VAL  51           HA       VAL  51  -3.843   3.871  -1.541
  350    HB   VAL  51           HB       VAL  51  -2.883   4.443   0.697
  351   1HG1  VAL  51          HG11      VAL  51  -1.555   6.168  -1.390
  352   2HG1  VAL  51          HG12      VAL  51  -1.575   4.413  -1.548
  353   3HG1  VAL  51          HG13      VAL  51  -0.805   5.162  -0.150
  354   1HG2  VAL  51          HG21      VAL  51  -3.571   6.432   1.538
  355   2HG2  VAL  51          HG22      VAL  51  -4.023   7.039  -0.054
  356   3HG2  VAL  51          HG23      VAL  51  -2.350   7.159   0.492
  357    H    SER  52           HN       SER  52  -4.885   2.875   0.399
  358    HA   SER  52           HA       SER  52  -7.641   3.908   0.743
  359   1HB   SER  52          HB2       SER  52  -6.850   1.485   0.213
  360   2HB   SER  52          HB1       SER  52  -6.439   1.403   1.923
  361    HG   SER  52           HG       SER  52  -8.966   1.911   0.739
  362    H    ASP  53           HN       ASP  53  -8.094   5.183   2.506
  363    HA   ASP  53           HA       ASP  53  -6.161   5.384   4.724
  364   1HB   ASP  53          HB2       ASP  53  -7.703   7.205   5.421
  365   2HB   ASP  53          HB1       ASP  53  -7.240   7.361   3.727
  366    H    SER  54           HN       SER  54  -7.689   2.839   4.383
  367    HA   SER  54           HA       SER  54  -8.651   2.614   7.158
  368   1HB   SER  54          HB2       SER  54 -10.900   2.254   6.633
  369   2HB   SER  54          HB1       SER  54 -10.469   3.483   5.447
  370    HG   SER  54           HG       SER  54 -10.113   1.807   3.950
  371    H    ALA  55           HN       ALA  55  -8.826   0.368   7.800
  372    HA   ALA  55           HA       ALA  55  -7.058  -1.426   6.356
  373   1HB   ALA  55          HB1       ALA  55  -8.912  -2.409   8.467
  374   2HB   ALA  55          HB2       ALA  55  -7.829  -1.093   8.921
  375   3HB   ALA  55          HB3       ALA  55  -7.167  -2.615   8.323
  376    H    THR  56           HN       THR  56 -10.260  -0.586   5.825
  377    HA   THR  56           HA       THR  56 -11.237  -3.261   5.059
  378    HB   THR  56           HB       THR  56 -12.295  -0.425   4.915
  379    HG1  THR  56           HG1      THR  56 -12.962  -0.961   6.813
  380   1HG2  THR  56          HG21      THR  56 -14.491  -1.635   4.336
  381   2HG2  THR  56          HG22      THR  56 -13.476  -3.004   3.881
  382   3HG2  THR  56          HG23      THR  56 -13.309  -1.464   3.038
  383    H    ASN  57           HN       ASN  57 -11.370  -4.010   2.926
  384    HA   ASN  57           HA       ASN  57  -9.721  -2.605   0.924
  385   1HB   ASN  57          HB2       ASN  57  -9.892  -4.702  -0.255
  386   2HB   ASN  57          HB1       ASN  57  -9.705  -5.092   1.454
  387   1HD2  ASN  57          HD21      ASN  57 -11.106  -6.742   2.046
  388   2HD2  ASN  57          HD22      ASN  57 -12.681  -6.952   1.452
  389    H    ILE  58           HN       ILE  58 -10.537  -1.973  -1.160
  390    HA   ILE  58           HA       ILE  58 -13.520  -1.771  -1.376
  391    HB   ILE  58           HB       ILE  58 -12.332   0.329  -0.590
  392   1HG1  ILE  58          HG12      ILE  58 -13.795   0.279  -3.243
  393   2HG1  ILE  58          HG11      ILE  58 -14.470   0.599  -1.645
  394   1HG2  ILE  58          HG21      ILE  58 -10.396  -0.327  -2.318
  395   2HG2  ILE  58          HG22      ILE  58 -10.707   1.351  -1.875
  396   3HG2  ILE  58          HG23      ILE  58 -11.347   0.704  -3.386
  397   1HD1  ILE  58          HD11      ILE  58 -14.241   2.777  -2.342
  398   2HD1  ILE  58          HD12      ILE  58 -12.915   2.395  -3.441
  399   3HD1  ILE  58          HD13      ILE  58 -12.611   2.543  -1.710
  400    H    CYS  59           HN       CYS  59 -12.225  -3.827  -2.627
  401    HA   CYS  59           HA       CYS  59 -11.460  -3.026  -5.367
  402   1HB   CYS  59          HB2       CYS  59 -10.482  -4.872  -3.783
  403   2HB   CYS  59          HB1       CYS  59 -11.851  -5.834  -4.342
  404    H    GLY  60           HN       GLY  60 -14.184  -2.391  -4.690
  405   1HA   GLY  60          HA2       GLY  60 -15.550  -3.741  -6.866
  406   2HA   GLY  60          HA1       GLY  60 -16.169  -4.239  -5.291
  Start of MODEL   18
    1   1H    LYS   1          HT1       LYS   1  -4.921  10.588  -5.111
    2   2H    LYS   1          HT2       LYS   1  -3.840  11.461  -4.133
    3   3H    LYS   1          HT3       LYS   1  -4.435   9.957  -3.614
    4    HA   LYS   1           HA       LYS   1  -3.024   9.972  -6.168
    5   1HB   LYS   1          HB2       LYS   1  -0.868  10.213  -5.107
    6   2HB   LYS   1          HB1       LYS   1  -1.851  11.584  -4.596
    7   1HG   LYS   1          HG2       LYS   1  -2.180  10.707  -2.438
    8   2HG   LYS   1          HG1       LYS   1  -1.771   9.067  -2.938
    9   1HD   LYS   1          HD2       LYS   1   0.543  10.362  -3.553
   10   2HD   LYS   1          HD1       LYS   1   0.010  11.294  -2.155
   11   1HE   LYS   1          HE2       LYS   1  -0.457   8.665  -1.369
   12   2HE   LYS   1          HE1       LYS   1   1.083   8.575  -2.248
   13   1HZ   LYS   1          HZ1       LYS   1   2.077  10.087  -0.867
   14   2HZ   LYS   1          HZ2       LYS   1   1.037   9.331   0.245
   15   3HZ   LYS   1          HZ3       LYS   1   0.619  10.833  -0.434
   16    H    ASP   2           HN       ASP   2  -2.105   7.876  -6.484
   17    HA   ASP   2           HA       ASP   2  -3.102   5.790  -4.586
   18   1HB   ASP   2          HB2       ASP   2  -1.994   5.363  -7.365
   19   2HB   ASP   2          HB1       ASP   2  -3.164   4.377  -6.489
   20    H    GLY   3           HN       GLY   3  -1.586   4.388  -3.596
   21   1HA   GLY   3          HA2       GLY   3   1.151   4.203  -4.561
   22   2HA   GLY   3          HA1       GLY   3   1.031   5.215  -3.124
   23    H    TYR   4           HN       TYR   4   2.518   3.271  -2.483
   24    HA   TYR   4           HA       TYR   4   0.905   0.934  -1.560
   25   1HB   TYR   4          HB2       TYR   4   3.881   1.481  -1.796
   26   2HB   TYR   4          HB1       TYR   4   3.195  -0.036  -1.218
   27    HD1  TYR   4           HD1      TYR   4   1.924  -1.511  -2.738
   28    HD2  TYR   4           HD2      TYR   4   3.802   2.095  -4.133
   29    HE1  TYR   4           HE1      TYR   4   1.688  -2.294  -5.080
   30    HE2  TYR   4           HE2      TYR   4   3.562   1.312  -6.475
   31    HH   TYR   4           HH       TYR   4   3.031  -1.759  -7.337
   32    HA   PRO   5           HA       PRO   5   1.135   2.912   2.442
   33   1HB   PRO   5          HB2       PRO   5  -0.257   0.989   3.792
   34   2HB   PRO   5          HB1       PRO   5  -1.046   2.226   2.791
   35   1HG   PRO   5          HG2       PRO   5  -0.451  -0.621   2.158
   36   2HG   PRO   5          HG1       PRO   5  -1.868   0.356   1.741
   37   1HD   PRO   5          HD2       PRO   5   0.146  -0.207  -0.014
   38   2HD   PRO   5          HD1       PRO   5  -0.866   1.252  -0.115
   39    H    VAL   6           HN       VAL   6   2.665   2.645   4.049
   40    HA   VAL   6           HA       VAL   6   4.185   0.065   4.053
   41    HB   VAL   6           HB       VAL   6   6.040   1.439   4.892
   42   1HG1  VAL   6          HG11      VAL   6   4.719   1.776   2.365
   43   2HG1  VAL   6          HG12      VAL   6   6.445   1.828   2.724
   44   3HG1  VAL   6          HG13      VAL   6   5.477   3.299   2.832
   45   1HG2  VAL   6          HG21      VAL   6   5.168   3.121   6.237
   46   2HG2  VAL   6          HG22      VAL   6   3.856   3.483   5.119
   47   3HG2  VAL   6          HG23      VAL   6   5.492   4.030   4.761
   48    H    ASP   7           HN       ASP   7   5.267  -0.305   6.279
   49    HA   ASP   7           HA       ASP   7   3.152  -0.022   8.383
   50   1HB   ASP   7          HB2       ASP   7   4.195  -2.045   9.310
   51   2HB   ASP   7          HB1       ASP   7   3.834  -2.295   7.602
   52    H    SER   8           HN       SER   8   4.346  -0.169  10.687
   53    HA   SER   8           HA       SER   8   5.660   2.242  11.218
   54   1HB   SER   8          HB2       SER   8   6.358   1.077  13.308
   55   2HB   SER   8          HB1       SER   8   4.680   0.736  12.895
   56    HG   SER   8           HG       SER   8   5.304  -1.270  12.990
   57    H    LYS   9           HN       LYS   9   6.951  -0.677   9.822
   58    HA   LYS   9           HA       LYS   9   9.761  -0.049  10.370
   59   1HB   LYS   9          HB2       LYS   9   9.020  -2.346  10.174
   60   2HB   LYS   9          HB1       LYS   9   8.302  -2.028   8.594
   61   1HG   LYS   9          HG2       LYS   9  10.530  -1.534   7.668
   62   2HG   LYS   9          HG1       LYS   9  11.257  -1.834   9.247
   63   1HD   LYS   9          HD2       LYS   9   9.517  -4.013   8.300
   64   2HD   LYS   9          HD1       LYS   9  10.938  -3.738   7.291
   65   1HE   LYS   9          HE2       LYS   9  12.352  -3.804   9.382
   66   2HE   LYS   9          HE1       LYS   9  10.902  -4.303  10.276
   67   1HZ   LYS   9          HZ1       LYS   9  12.550  -5.974   8.892
   68   2HZ   LYS   9          HZ2       LYS   9  11.256  -5.741   7.816
   69   3HZ   LYS   9          HZ3       LYS   9  10.967  -6.333   9.382
   70    H    GLY  10           HN       GLY  10   7.437   0.603   7.822
   71   1HA   GLY  10          HA2       GLY  10   7.791   2.420   6.244
   72   2HA   GLY  10          HA1       GLY  10   9.531   2.175   6.405
   73    H    CYS  11           HN       CYS  11   8.080  -0.823   6.239
   74    HA   CYS  11           HA       CYS  11   8.850  -1.093   3.375
   75   1HB   CYS  11          HB2       CYS  11   8.370  -2.992   5.685
   76   2HB   CYS  11          HB1       CYS  11   8.655  -3.559   4.039
   77    H    LYS  12           HN       LYS  12   7.361  -1.851   1.833
   78    HA   LYS  12           HA       LYS  12   4.626  -1.191   2.062
   79   1HB   LYS  12          HB2       LYS  12   5.857  -3.365   0.342
   80   2HB   LYS  12          HB1       LYS  12   4.437  -2.388  -0.034
   81   1HG   LYS  12          HG2       LYS  12   6.212  -0.408   0.381
   82   2HG   LYS  12          HG1       LYS  12   7.320  -1.667  -0.168
   83   1HD   LYS  12          HD2       LYS  12   4.867  -1.494  -1.773
   84   2HD   LYS  12          HD1       LYS  12   5.844  -0.027  -1.826
   85   1HE   LYS  12          HE2       LYS  12   7.294  -2.627  -2.097
   86   2HE   LYS  12          HE1       LYS  12   6.339  -2.069  -3.485
   87   1HZ   LYS  12          HZ1       LYS  12   7.397   0.135  -3.197
   88   2HZ   LYS  12          HZ2       LYS  12   8.502  -1.083  -3.622
   89   3HZ   LYS  12          HZ3       LYS  12   8.414  -0.533  -2.017
   90    H    LEU  13           HN       LEU  13   2.783  -2.400   2.631
   91    HA   LEU  13           HA       LEU  13   3.206  -4.672   4.431
   92   1HB   LEU  13          HB2       LEU  13   1.505  -3.137   5.027
   93   2HB   LEU  13          HB1       LEU  13   0.874  -3.068   3.382
   94    HG   LEU  13           HG       LEU  13   0.116  -5.413   3.578
   95   1HD1  LEU  13          HD11      LEU  13   0.664  -5.333   6.523
   96   2HD1  LEU  13          HD12      LEU  13   1.973  -5.787   5.431
   97   3HD1  LEU  13          HD13      LEU  13   0.480  -6.726   5.457
   98   1HD2  LEU  13          HD21      LEU  13  -0.881  -3.147   5.067
   99   2HD2  LEU  13          HD22      LEU  13  -1.243  -4.638   5.938
  100   3HD2  LEU  13          HD23      LEU  13  -1.791  -4.433   4.274
  101    H    SER  14           HN       SER  14   2.971  -6.830   3.895
  102    HA   SER  14           HA       SER  14   2.782  -7.635   1.122
  103   1HB   SER  14          HB2       SER  14   2.717  -9.054   3.795
  104   2HB   SER  14          HB1       SER  14   2.662  -9.927   2.266
  105    HG   SER  14           HG       SER  14   4.609  -8.538   1.783
  106    H    CYS  15           HN       CYS  15   0.987  -8.419   0.001
  107    HA   CYS  15           HA       CYS  15  -1.617  -8.444   1.495
  108   1HB   CYS  15          HB2       CYS  15  -2.572  -7.608  -0.663
  109   2HB   CYS  15          HB1       CYS  15  -1.379  -6.505   0.024
  110    H    VAL  16           HN       VAL  16  -2.997 -10.172   1.055
  111    HA   VAL  16           HA       VAL  16  -1.996 -12.239  -0.878
  112    HB   VAL  16           HB       VAL  16  -1.661 -12.831   1.502
  113   1HG1  VAL  16          HG11      VAL  16  -3.239 -12.490   3.095
  114   2HG1  VAL  16          HG12      VAL  16  -4.525 -13.142   2.079
  115   3HG1  VAL  16          HG13      VAL  16  -4.026 -11.461   1.900
  116   1HG2  VAL  16          HG21      VAL  16  -2.955 -14.356  -0.463
  117   2HG2  VAL  16          HG22      VAL  16  -3.892 -14.632   1.005
  118   3HG2  VAL  16          HG23      VAL  16  -2.162 -14.972   0.987
  119    H    ALA  17           HN       ALA  17  -4.734 -10.500   0.469
  120    HA   ALA  17           HA       ALA  17  -6.482 -11.703  -1.654
  121   1HB   ALA  17          HB1       ALA  17  -8.135 -10.878   0.429
  122   2HB   ALA  17          HB2       ALA  17  -6.726 -11.534   1.263
  123   3HB   ALA  17          HB3       ALA  17  -7.624 -12.538   0.125
  124    H    ASN  18           HN       ASN  18  -7.937 -10.197  -2.650
  125    HA   ASN  18           HA       ASN  18  -7.040  -7.444  -2.723
  126   1HB   ASN  18          HB2       ASN  18  -9.293  -9.077  -3.873
  127   2HB   ASN  18          HB1       ASN  18  -9.277  -7.327  -4.090
  128   1HD2  ASN  18          HD21      ASN  18  -8.691  -9.747  -5.990
  129   2HD2  ASN  18          HD22      ASN  18  -7.230  -9.303  -6.733
  130    H    ASN  19           HN       ASN  19  -9.475  -9.178  -0.903
  131    HA   ASN  19           HA       ASN  19 -11.047  -6.849  -0.148
  132   1HB   ASN  19          HB2       ASN  19 -11.929  -8.538   1.546
  133   2HB   ASN  19          HB1       ASN  19 -12.043  -9.036  -0.139
  134   1HD2  ASN  19          HD21      ASN  19 -11.310 -11.116  -0.496
  135   2HD2  ASN  19          HD22      ASN  19 -10.131 -11.917   0.425
  136    H    TYR  20           HN       TYR  20  -8.439  -8.727   1.433
  137    HA   TYR  20           HA       TYR  20  -8.421  -7.461   3.955
  138   1HB   TYR  20          HB2       TYR  20  -7.032  -9.352   3.573
  139   2HB   TYR  20          HB1       TYR  20  -6.294  -8.623   2.148
  140    HD1  TYR  20           HD1      TYR  20  -6.921  -6.813   5.316
  141    HD2  TYR  20           HD2      TYR  20  -3.991  -8.783   2.870
  142    HE1  TYR  20           HE1      TYR  20  -5.112  -5.875   6.727
  143    HE2  TYR  20           HE2      TYR  20  -2.181  -7.845   4.282
  144    HH   TYR  20           HH       TYR  20  -1.856  -6.957   6.501
  145    H    CYS  21           HN       CYS  21  -6.611  -6.517   1.006
  146    HA   CYS  21           HA       CYS  21  -5.519  -4.096   2.115
  147   1HB   CYS  21          HB2       CYS  21  -5.925  -5.342  -0.581
  148   2HB   CYS  21          HB1       CYS  21  -5.462  -3.641  -0.514
  149    H    ASP  22           HN       ASP  22  -8.397  -4.757   0.097
  150    HA   ASP  22           HA       ASP  22  -9.337  -2.164  -0.359
  151   1HB   ASP  22          HB2       ASP  22 -10.381  -4.201  -1.227
  152   2HB   ASP  22          HB1       ASP  22 -10.838  -4.693   0.405
  153    H    ASN  23           HN       ASN  23  -9.443  -4.071   2.620
  154    HA   ASN  23           HA       ASN  23 -11.185  -2.262   4.075
  155   1HB   ASN  23          HB2       ASN  23 -10.810  -4.667   4.603
  156   2HB   ASN  23          HB1       ASN  23  -9.135  -4.298   5.017
  157   1HD2  ASN  23          HD21      ASN  23 -10.050  -5.257   7.203
  158   2HD2  ASN  23          HD22      ASN  23 -10.707  -4.128   8.288
  159    H    GLN  24           HN       GLN  24  -7.662  -2.915   4.360
  160    HA   GLN  24           HA       GLN  24  -6.976  -0.819   6.101
  161   1HB   GLN  24          HB2       GLN  24  -5.636  -2.767   4.939
  162   2HB   GLN  24          HB1       GLN  24  -5.270  -1.537   3.728
  163   1HG   GLN  24          HG2       GLN  24  -3.534  -1.655   5.513
  164   2HG   GLN  24          HG1       GLN  24  -4.322  -0.077   5.444
  165   1HE2  GLN  24          HE21      GLN  24  -3.996   0.406   7.711
  166   2HE2  GLN  24          HE22      GLN  24  -4.800  -0.448   8.938
  167    H    CYS  25           HN       CYS  25  -6.748  -0.700   2.519
  168    HA   CYS  25           HA       CYS  25  -6.119   1.983   2.145
  169   1HB   CYS  25          HB2       CYS  25  -8.129   0.295   0.618
  170   2HB   CYS  25          HB1       CYS  25  -7.277   1.701  -0.019
  171    H    LYS  26           HN       LYS  26  -9.464   0.689   2.240
  172    HA   LYS  26           HA       LYS  26 -10.984   2.985   2.138
  173   1HB   LYS  26          HB2       LYS  26 -11.684   0.565   2.459
  174   2HB   LYS  26          HB1       LYS  26 -11.353   0.772   4.179
  175   1HG   LYS  26          HG2       LYS  26 -13.367   1.724   4.471
  176   2HG   LYS  26          HG1       LYS  26 -12.960   2.974   3.294
  177   1HD   LYS  26          HD2       LYS  26 -13.807   0.237   2.372
  178   2HD   LYS  26          HD1       LYS  26 -15.015   1.445   2.815
  179   1HE   LYS  26          HE2       LYS  26 -12.788   2.184   0.919
  180   2HE   LYS  26          HE1       LYS  26 -14.231   1.342   0.320
  181   1HZ   LYS  26          HZ1       LYS  26 -14.955   3.378   2.160
  182   2HZ   LYS  26          HZ2       LYS  26 -15.432   3.183   0.541
  183   3HZ   LYS  26          HZ3       LYS  26 -14.013   4.037   0.913
  184    H    MET  27           HN       MET  27  -9.359   1.716   5.061
  185    HA   MET  27           HA       MET  27 -10.233   3.765   6.859
  186   1HB   MET  27          HB2       MET  27  -7.868   1.881   6.730
  187   2HB   MET  27          HB1       MET  27  -8.147   2.941   8.113
  188   1HG   MET  27          HG2       MET  27 -10.636   1.771   7.643
  189   2HG   MET  27          HG1       MET  27  -9.489   0.455   7.394
  190   1HE   MET  27          HE1       MET  27  -7.035   1.029   9.698
  191   2HE   MET  27          HE2       MET  27  -7.788  -0.196   8.680
  192   3HE   MET  27          HE3       MET  27  -7.849  -0.358  10.433
  193    H    LYS  28           HN       LYS  28  -7.554   3.607   4.558
  194    HA   LYS  28           HA       LYS  28  -6.331   6.087   5.584
  195   1HB   LYS  28          HB2       LYS  28  -5.796   4.284   3.201
  196   2HB   LYS  28          HB1       LYS  28  -4.766   5.633   3.681
  197   1HG   LYS  28          HG2       LYS  28  -5.000   4.302   6.052
  198   2HG   LYS  28          HG1       LYS  28  -5.061   2.960   4.908
  199   1HD   LYS  28          HD2       LYS  28  -3.023   4.331   3.821
  200   2HD   LYS  28          HD1       LYS  28  -2.833   4.849   5.496
  201   1HE   LYS  28          HE2       LYS  28  -3.323   1.948   5.174
  202   2HE   LYS  28          HE1       LYS  28  -1.785   2.518   4.499
  203   1HZ   LYS  28          HZ1       LYS  28  -1.969   3.905   6.809
  204   2HZ   LYS  28          HZ2       LYS  28  -1.082   2.471   6.613
  205   3HZ   LYS  28          HZ3       LYS  28  -2.655   2.418   7.251
  206    H    LYS  29           HN       LYS  29  -9.145   5.893   4.259
  207    HA   LYS  29           HA       LYS  29 -10.432   7.407   2.975
  208   1HB   LYS  29          HB2       LYS  29  -8.523   8.887   4.066
  209   2HB   LYS  29          HB1       LYS  29  -7.941   8.975   2.403
  210   1HG   LYS  29          HG2       LYS  29 -10.537   9.488   1.947
  211   2HG   LYS  29          HG1       LYS  29 -10.431  10.095   3.600
  212   1HD   LYS  29          HD2       LYS  29  -8.140  10.936   2.021
  213   2HD   LYS  29          HD1       LYS  29  -9.654  11.456   1.280
  214   1HE   LYS  29          HE2       LYS  29  -9.825  13.104   2.822
  215   2HE   LYS  29          HE1       LYS  29  -9.858  11.884   4.111
  216   1HZ   LYS  29          HZ1       LYS  29  -7.324  11.748   3.543
  217   2HZ   LYS  29          HZ2       LYS  29  -7.905  12.943   4.601
  218   3HZ   LYS  29          HZ3       LYS  29  -7.567  13.330   2.981
  219    H    ALA  30           HN       ALA  30  -8.896   5.105   1.777
  220    HA   ALA  30           HA       ALA  30  -8.395   6.145  -0.979
  221   1HB   ALA  30          HB1       ALA  30  -7.736   3.474  -0.944
  222   2HB   ALA  30          HB2       ALA  30  -7.447   3.935   0.734
  223   3HB   ALA  30          HB3       ALA  30  -6.612   4.780  -0.570
  224    H    SER  31           HN       SER  31  -9.381   4.929  -2.789
  225    HA   SER  31           HA       SER  31 -12.016   3.719  -2.017
  226   1HB   SER  31          HB2       SER  31 -11.060   5.587  -4.135
  227   2HB   SER  31          HB1       SER  31 -12.349   4.473  -4.579
  228    HG   SER  31           HG       SER  31 -13.409   5.223  -2.604
  229    H    GLY  32           HN       GLY  32  -9.063   3.281  -3.851
  230   1HA   GLY  32          HA2       GLY  32 -10.139   0.692  -4.895
  231   2HA   GLY  32          HA1       GLY  32  -8.841   1.601  -5.673
  232    H    GLY  33           HN       GLY  33  -9.638  -0.192  -2.701
  233   1HA   GLY  33          HA2       GLY  33  -6.739  -0.447  -2.110
  234   2HA   GLY  33          HA1       GLY  33  -8.051  -0.889  -1.016
  235    H    HIS  34           HN       HIS  34  -5.669  -2.241  -2.774
  236    HA   HIS  34           HA       HIS  34  -6.981  -4.874  -2.787
  237   1HB   HIS  34          HB2       HIS  34  -6.642  -5.165  -5.221
  238   2HB   HIS  34          HB1       HIS  34  -7.703  -3.795  -4.896
  239    HD1  HIS  34           HD1      HIS  34  -6.684  -1.391  -5.189
  240    HD2  HIS  34           HD2      HIS  34  -4.163  -4.485  -6.394
  241    HE1  HIS  34           HE1      HIS  34  -4.824  -0.318  -6.532
  242    H    CYS  35           HN       CYS  35  -5.248  -6.424  -4.045
  243    HA   CYS  35           HA       CYS  35  -2.633  -5.861  -2.721
  244   1HB   CYS  35          HB2       CYS  35  -3.714  -7.946  -2.131
  245   2HB   CYS  35          HB1       CYS  35  -3.986  -8.342  -3.827
  246    H    TYR  36           HN       TYR  36  -0.963  -5.198  -4.019
  247    HA   TYR  36           HA       TYR  36  -1.100  -5.877  -6.939
  248   1HB   TYR  36          HB2       TYR  36  -1.601  -3.489  -6.194
  249   2HB   TYR  36          HB1       TYR  36   0.085  -3.392  -5.682
  250    HD1  TYR  36           HD1      TYR  36  -2.207  -3.529  -8.532
  251    HD2  TYR  36           HD2      TYR  36   1.916  -3.558  -7.331
  252    HE1  TYR  36           HE1      TYR  36  -1.523  -3.047 -10.868
  253    HE2  TYR  36           HE2      TYR  36   2.601  -3.077  -9.666
  254    HH   TYR  36           HH       TYR  36   1.590  -2.034 -11.700
  255    H    ALA  37           HN       ALA  37   0.669  -6.974  -7.671
  256    HA   ALA  37           HA       ALA  37   2.793  -8.015  -7.645
  257   1HB   ALA  37          HB1       ALA  37   4.300  -5.914  -6.489
  258   2HB   ALA  37          HB2       ALA  37   2.939  -5.151  -7.312
  259   3HB   ALA  37          HB3       ALA  37   4.028  -6.211  -8.206
  260    H    MET  38           HN       MET  38   1.282  -8.749  -5.378
  261    HA   MET  38           HA       MET  38   1.645  -9.807  -3.290
  262   1HB   MET  38          HB2       MET  38   4.153  -9.623  -4.679
  263   2HB   MET  38          HB1       MET  38   4.441  -9.358  -2.960
  264   1HG   MET  38          HG2       MET  38   3.849 -11.491  -2.396
  265   2HG   MET  38          HG1       MET  38   2.580 -11.569  -3.619
  266   1HE   MET  38          HE1       MET  38   3.453 -11.154  -6.272
  267   2HE   MET  38          HE2       MET  38   2.726 -12.680  -5.773
  268   3HE   MET  38          HE3       MET  38   4.159 -12.688  -6.799
  269    H    SER  39           HN       SER  39   1.864  -6.601  -3.856
  270    HA   SER  39           HA       SER  39   2.456  -5.962  -0.983
  271   1HB   SER  39          HB2       SER  39   3.033  -4.432  -3.538
  272   2HB   SER  39          HB1       SER  39   3.262  -3.764  -1.926
  273    HG   SER  39           HG       SER  39   4.383  -6.249  -2.291
  274    H    CYS  40           HN       CYS  40   0.915  -4.675   0.049
  275    HA   CYS  40           HA       CYS  40  -1.724  -4.456  -1.037
  276   1HB   CYS  40          HB2       CYS  40  -0.737  -4.402   1.401
  277   2HB   CYS  40          HB1       CYS  40  -0.636  -2.664   1.122
  278    H    TYR  41           HN       TYR  41  -2.738  -2.747  -2.109
  279    HA   TYR  41           HA       TYR  41  -1.198  -0.220  -2.507
  280   1HB   TYR  41          HB2       TYR  41  -0.900  -2.060  -4.318
  281   2HB   TYR  41          HB1       TYR  41  -2.559  -1.672  -4.778
  282    HD1  TYR  41           HD1      TYR  41  -2.581  -0.331  -6.688
  283    HD2  TYR  41           HD2      TYR  41   0.350   0.406  -3.637
  284    HE1  TYR  41           HE1      TYR  41  -1.764   1.645  -7.948
  285    HE2  TYR  41           HE2      TYR  41   1.170   2.375  -4.899
  286    HH   TYR  41           HH       TYR  41  -0.131   4.025  -6.770
  287    H    CYS  42           HN       CYS  42  -2.541   1.566  -2.460
  288    HA   CYS  42           HA       CYS  42  -5.499   1.068  -2.605
  289   1HB   CYS  42          HB2       CYS  42  -4.057   3.184  -0.988
  290   2HB   CYS  42          HB1       CYS  42  -5.738   2.677  -0.833
  291    H    GLU  43           HN       GLU  43  -6.683   2.531  -3.856
  292    HA   GLU  43           HA       GLU  43  -5.091   4.557  -5.392
  293   1HB   GLU  43          HB2       GLU  43  -6.056   2.595  -6.605
  294   2HB   GLU  43          HB1       GLU  43  -7.663   3.094  -6.078
  295   1HG   GLU  43          HG2       GLU  43  -7.778   4.763  -7.612
  296   2HG   GLU  43          HG1       GLU  43  -6.104   5.243  -7.346
  297    H    GLY  44           HN       GLY  44  -5.500   6.574  -4.513
  298   1HA   GLY  44          HA2       GLY  44  -7.331   8.336  -4.630
  299   2HA   GLY  44          HA1       GLY  44  -8.330   7.182  -3.745
  300    H    LEU  45           HN       LEU  45  -5.087   7.070  -2.752
  301    HA   LEU  45           HA       LEU  45  -5.688   7.995  -0.093
  302   1HB   LEU  45          HB2       LEU  45  -3.119   7.476  -1.619
  303   2HB   LEU  45          HB1       LEU  45  -3.179   7.779   0.117
  304    HG   LEU  45           HG       LEU  45  -4.749   5.575  -1.241
  305   1HD1  LEU  45          HD11      LEU  45  -2.596   4.779  -1.557
  306   2HD1  LEU  45          HD12      LEU  45  -2.891   4.212   0.086
  307   3HD1  LEU  45          HD13      LEU  45  -1.948   5.678  -0.185
  308   1HD2  LEU  45          HD21      LEU  45  -4.352   6.561   1.546
  309   2HD2  LEU  45          HD22      LEU  45  -4.437   4.814   1.320
  310   3HD2  LEU  45          HD23      LEU  45  -5.778   5.837   0.803
  311    HA   PRO  46           HA       PRO  46  -4.909  12.302  -0.381
  312   1HB   PRO  46          HB2       PRO  46  -3.520  12.789   1.932
  313   2HB   PRO  46          HB1       PRO  46  -5.261  12.441   1.899
  314   1HG   PRO  46          HG2       PRO  46  -2.983  10.638   2.551
  315   2HG   PRO  46          HG1       PRO  46  -4.587  10.747   3.294
  316   1HD   PRO  46          HD2       PRO  46  -3.898   8.814   1.504
  317   2HD   PRO  46          HD1       PRO  46  -5.559   9.410   1.702
  318    H    GLU  47           HN       GLU  47  -3.326  13.709  -1.183
  319    HA   GLU  47           HA       GLU  47  -1.053  12.783  -2.480
  320   1HB   GLU  47          HB2       GLU  47  -1.955  14.956  -2.904
  321   2HB   GLU  47          HB1       GLU  47  -1.732  15.449  -1.225
  322   1HG   GLU  47          HG2       GLU  47   0.749  15.153  -1.546
  323   2HG   GLU  47          HG1       GLU  47   0.438  14.887  -3.262
  324    H    ASN  48           HN       ASN  48  -1.394  13.407   0.953
  325    HA   ASN  48           HA       ASN  48   1.567  13.077   1.284
  326   1HB   ASN  48          HB2       ASN  48   1.365  14.422   3.206
  327   2HB   ASN  48          HB1       ASN  48   0.187  15.138   2.107
  328   1HD2  ASN  48          HD21      ASN  48  -2.142  14.326   2.399
  329   2HD2  ASN  48          HD22      ASN  48  -2.645  13.915   3.967
  330    H    ALA  49           HN       ALA  49  -0.598  10.944   0.940
  331    HA   ALA  49           HA       ALA  49  -1.150   9.602   3.375
  332   1HB   ALA  49          HB1       ALA  49  -1.406   9.230   0.581
  333   2HB   ALA  49          HB2       ALA  49  -2.154   8.267   1.855
  334   3HB   ALA  49          HB3       ALA  49  -0.590   7.791   1.192
  335    H    LYS  50           HN       LYS  50  -0.073   7.629   4.222
  336    HA   LYS  50           HA       LYS  50   2.862   7.938   4.267
  337   1HB   LYS  50          HB2       LYS  50   1.611   7.621   6.335
  338   2HB   LYS  50          HB1       LYS  50   0.888   6.138   5.708
  339   1HG   LYS  50          HG2       LYS  50   2.628   4.993   6.556
  340   2HG   LYS  50          HG1       LYS  50   3.678   5.826   5.410
  341   1HD   LYS  50          HD2       LYS  50   3.319   7.746   7.345
  342   2HD   LYS  50          HD1       LYS  50   3.342   6.263   8.301
  343   1HE   LYS  50          HE2       LYS  50   5.413   6.123   6.296
  344   2HE   LYS  50          HE1       LYS  50   5.584   7.623   7.230
  345   1HZ   LYS  50          HZ1       LYS  50   5.419   4.846   8.242
  346   2HZ   LYS  50          HZ2       LYS  50   5.109   6.183   9.244
  347   3HZ   LYS  50          HZ3       LYS  50   6.637   5.993   8.524
  348    H    VAL  51           HN       VAL  51   2.966   7.229   1.891
  349    HA   VAL  51           HA       VAL  51   3.175   4.242   1.764
  350    HB   VAL  51           HB       VAL  51   2.243   4.421  -0.534
  351   1HG1  VAL  51          HG11      VAL  51   0.868   4.785   1.925
  352   2HG1  VAL  51          HG12      VAL  51   0.234   4.105   0.426
  353   3HG1  VAL  51          HG13      VAL  51   0.088   5.833   0.741
  354   1HG2  VAL  51          HG21      VAL  51   1.483   7.265   0.083
  355   2HG2  VAL  51          HG22      VAL  51   1.583   6.456  -1.481
  356   3HG2  VAL  51          HG23      VAL  51   3.058   6.916  -0.630
  357    H    SER  52           HN       SER  52   4.582   3.618  -0.205
  358    HA   SER  52           HA       SER  52   7.032   5.256  -0.163
  359   1HB   SER  52          HB2       SER  52   6.971   2.756   0.003
  360   2HB   SER  52          HB1       SER  52   6.327   2.695  -1.636
  361    HG   SER  52           HG       SER  52   8.675   2.477  -1.406
  362    H    ASP  53           HN       ASP  53   8.053   5.985  -2.190
  363    HA   ASP  53           HA       ASP  53   6.025   6.598  -4.314
  364   1HB   ASP  53          HB2       ASP  53   7.447   8.617  -4.682
  365   2HB   ASP  53          HB1       ASP  53   6.829   8.532  -3.032
  366    H    SER  54           HN       SER  54   8.257   4.373  -3.868
  367    HA   SER  54           HA       SER  54   9.474   4.685  -6.596
  368   1HB   SER  54          HB2       SER  54  11.346   3.323  -5.585
  369   2HB   SER  54          HB1       SER  54  11.132   4.906  -4.843
  370    HG   SER  54           HG       SER  54   9.975   3.900  -3.178
  371    H    ALA  55           HN       ALA  55   8.480   3.244  -7.951
  372    HA   ALA  55           HA       ALA  55   7.112   0.861  -6.947
  373   1HB   ALA  55          HB1       ALA  55   5.995   1.487  -8.817
  374   2HB   ALA  55          HB2       ALA  55   7.303   0.731  -9.728
  375   3HB   ALA  55          HB3       ALA  55   7.352   2.460  -9.383
  376    H    THR  56           HN       THR  56  10.323   1.431  -7.276
  377    HA   THR  56           HA       THR  56  10.875  -1.441  -7.890
  378    HB   THR  56           HB       THR  56  11.186  -0.105  -9.942
  379    HG1  THR  56           HG1      THR  56  12.982  -1.124 -10.352
  380   1HG2  THR  56          HG21      THR  56  13.498   1.401  -8.977
  381   2HG2  THR  56          HG22      THR  56  11.998   1.882  -8.184
  382   3HG2  THR  56          HG23      THR  56  12.127   1.947  -9.942
  383    H    ASN  57           HN       ASN  57  10.942  -0.982  -5.345
  384    HA   ASN  57           HA       ASN  57  13.821  -0.624  -4.658
  385   1HB   ASN  57          HB2       ASN  57  13.201   0.922  -2.854
  386   2HB   ASN  57          HB1       ASN  57  12.608   1.543  -4.395
  387   1HD2  ASN  57          HD21      ASN  57  11.628   1.272  -1.279
  388   2HD2  ASN  57          HD22      ASN  57   9.959   1.057  -1.500
  389    H    ILE  58           HN       ILE  58  14.305  -1.546  -2.483
  390    HA   ILE  58           HA       ILE  58  12.189  -3.282  -1.322
  391    HB   ILE  58           HB       ILE  58  13.603  -4.364  -3.235
  392   1HG1  ILE  58          HG12      ILE  58  13.637  -5.857  -0.612
  393   2HG1  ILE  58          HG11      ILE  58  12.119  -5.468  -1.422
  394   1HG2  ILE  58          HG21      ILE  58  15.798  -3.595  -2.432
  395   2HG2  ILE  58          HG22      ILE  58  15.726  -5.357  -2.428
  396   3HG2  ILE  58          HG23      ILE  58  15.559  -4.465  -0.916
  397   1HD1  ILE  58          HD11      ILE  58  14.035  -7.549  -2.048
  398   2HD1  ILE  58          HD12      ILE  58  13.790  -6.491  -3.438
  399   3HD1  ILE  58          HD13      ILE  58  12.412  -7.302  -2.693
  400    H    CYS  59           HN       CYS  59  12.383  -3.345   0.894
  401    HA   CYS  59           HA       CYS  59  14.824  -2.118   2.106
  402   1HB   CYS  59          HB2       CYS  59  13.286  -1.823   4.052
  403   2HB   CYS  59          HB1       CYS  59  12.649  -1.087   2.581
  404    H    GLY  60           HN       GLY  60  15.949  -3.237   3.765
  405   1HA   GLY  60          HA2       GLY  60  15.927  -6.113   3.626
  406   2HA   GLY  60          HA1       GLY  60  16.830  -5.155   4.800
  Start of MODEL   19
    1   1H    LYS   1          HT1       LYS   1  -3.440  11.116  -4.640
    2   2H    LYS   1          HT2       LYS   1  -2.378  12.147  -3.806
    3   3H    LYS   1          HT3       LYS   1  -2.911  10.706  -3.082
    4    HA   LYS   1           HA       LYS   1  -1.384  10.646  -5.617
    5   1HB   LYS   1          HB2       LYS   1   0.645  10.651  -4.317
    6   2HB   LYS   1          HB1       LYS   1  -0.296  12.049  -3.796
    7   1HG   LYS   1          HG2       LYS   1  -1.128  10.821  -1.859
    8   2HG   LYS   1          HG1       LYS   1  -0.304   9.358  -2.400
    9   1HD   LYS   1          HD2       LYS   1   1.780  11.092  -2.392
   10   2HD   LYS   1          HD1       LYS   1   0.803  11.777  -1.092
   11   1HE   LYS   1          HE2       LYS   1   0.706   9.029  -0.602
   12   2HE   LYS   1          HE1       LYS   1   2.386   9.322  -1.095
   13   1HZ   LYS   1          HZ1       LYS   1   2.732  10.796   0.592
   14   2HZ   LYS   1          HZ2       LYS   1   1.599   9.789   1.357
   15   3HZ   LYS   1          HZ3       LYS   1   1.105  11.267   0.682
   16    H    ASP   2           HN       ASP   2  -0.649   8.500  -6.019
   17    HA   ASP   2           HA       ASP   2  -1.991   6.402  -4.365
   18   1HB   ASP   2          HB2       ASP   2  -0.698   6.110  -7.084
   19   2HB   ASP   2          HB1       ASP   2  -1.959   5.107  -6.366
   20    H    GLY   3           HN       GLY   3  -0.695   4.316  -4.158
   21   1HA   GLY   3          HA2       GLY   3   2.018   3.963  -4.584
   22   2HA   GLY   3          HA1       GLY   3   1.953   4.926  -3.109
   23    H    TYR   4           HN       TYR   4   3.000   2.873  -2.275
   24    HA   TYR   4           HA       TYR   4   0.941   0.800  -1.587
   25   1HB   TYR   4          HB2       TYR   4   3.978   0.655  -1.613
   26   2HB   TYR   4          HB1       TYR   4   2.881  -0.693  -1.327
   27    HD1  TYR   4           HD1      TYR   4   2.069  -1.971  -3.129
   28    HD2  TYR   4           HD2      TYR   4   3.763   1.907  -3.863
   29    HE1  TYR   4           HE1      TYR   4   1.948  -2.378  -5.572
   30    HE2  TYR   4           HE2      TYR   4   3.641   1.500  -6.305
   31    HH   TYR   4           HH       TYR   4   3.501  -1.178  -7.715
   32    HA   PRO   5           HA       PRO   5   1.415   2.589   2.464
   33   1HB   PRO   5          HB2       PRO   5  -0.139   0.783   3.797
   34   2HB   PRO   5          HB1       PRO   5  -0.816   2.109   2.829
   35   1HG   PRO   5          HG2       PRO   5  -0.480  -0.767   2.118
   36   2HG   PRO   5          HG1       PRO   5  -1.823   0.333   1.767
   37   1HD   PRO   5          HD2       PRO   5   0.060  -0.323  -0.076
   38   2HD   PRO   5          HD1       PRO   5  -0.772   1.249  -0.063
   39    H    VAL   6           HN       VAL   6   2.947   2.173   4.014
   40    HA   VAL   6           HA       VAL   6   4.308  -0.484   3.923
   41    HB   VAL   6           HB       VAL   6   6.132   0.783   5.037
   42   1HG1  VAL   6          HG11      VAL   6   5.517   2.675   2.896
   43   2HG1  VAL   6          HG12      VAL   6   5.243   1.002   2.412
   44   3HG1  VAL   6          HG13      VAL   6   6.826   1.499   3.010
   45   1HG2  VAL   6          HG21      VAL   6   4.114   2.440   5.894
   46   2HG2  VAL   6          HG22      VAL   6   4.823   3.390   4.589
   47   3HG2  VAL   6          HG23      VAL   6   5.828   2.854   5.936
   48    H    ASP   7           HN       ASP   7   5.265  -1.092   6.170
   49    HA   ASP   7           HA       ASP   7   3.003  -1.141   8.094
   50   1HB   ASP   7          HB2       ASP   7   4.227  -3.011   9.045
   51   2HB   ASP   7          HB1       ASP   7   4.236  -3.193   7.291
   52    H    SER   8           HN       SER   8   4.081  -1.286  10.514
   53    HA   SER   8           HA       SER   8   4.782   1.347  11.260
   54   1HB   SER   8          HB2       SER   8   4.887   0.415  13.392
   55   2HB   SER   8          HB1       SER   8   3.982  -0.830  12.538
   56    HG   SER   8           HG       SER   8   5.745  -1.694  13.720
   57    H    LYS   9           HN       LYS   9   6.791  -1.097   9.846
   58    HA   LYS   9           HA       LYS   9   9.275   0.217  10.847
   59   1HB   LYS   9          HB2       LYS   9   8.660  -2.361  10.703
   60   2HB   LYS   9          HB1       LYS   9   9.214  -2.170   9.037
   61   1HG   LYS   9          HG2       LYS   9  11.378  -1.457   9.727
   62   2HG   LYS   9          HG1       LYS   9  10.848  -1.206  11.390
   63   1HD   LYS   9          HD2       LYS   9  10.614  -3.564  11.763
   64   2HD   LYS   9          HD1       LYS   9  10.808  -3.916  10.045
   65   1HE   LYS   9          HE2       LYS   9  13.136  -2.719  10.338
   66   2HE   LYS   9          HE1       LYS   9  12.899  -3.113  12.053
   67   1HZ   LYS   9          HZ1       LYS   9  12.794  -4.999   9.760
   68   2HZ   LYS   9          HZ2       LYS   9  12.344  -5.406  11.346
   69   3HZ   LYS   9          HZ3       LYS   9  13.950  -4.974  11.000
   70    H    GLY  10           HN       GLY  10   7.376  -0.247   7.909
   71   1HA   GLY  10          HA2       GLY  10   7.719   1.631   6.239
   72   2HA   GLY  10          HA1       GLY  10   9.445   1.333   6.434
   73    H    CYS  11           HN       CYS  11   8.150  -1.656   6.636
   74    HA   CYS  11           HA       CYS  11   8.949  -2.355   3.908
   75   1HB   CYS  11          HB2       CYS  11   7.686  -3.938   6.171
   76   2HB   CYS  11          HB1       CYS  11   8.422  -4.638   4.728
   77    H    LYS  12           HN       LYS  12   7.587  -2.771   2.188
   78    HA   LYS  12           HA       LYS  12   4.987  -1.742   1.999
   79   1HB   LYS  12          HB2       LYS  12   6.368  -4.036   0.578
   80   2HB   LYS  12          HB1       LYS  12   4.847  -3.332   0.029
   81   1HG   LYS  12          HG2       LYS  12   6.127  -1.064   0.155
   82   2HG   LYS  12          HG1       LYS  12   7.576  -2.069   0.136
   83   1HD   LYS  12          HD2       LYS  12   5.748  -3.018  -1.871
   84   2HD   LYS  12          HD1       LYS  12   5.994  -1.283  -2.083
   85   1HE   LYS  12          HE2       LYS  12   8.543  -1.916  -1.710
   86   2HE   LYS  12          HE1       LYS  12   7.994  -3.511  -2.264
   87   1HZ   LYS  12          HZ1       LYS  12   8.648  -1.886  -4.067
   88   2HZ   LYS  12          HZ2       LYS  12   7.258  -1.000  -3.657
   89   3HZ   LYS  12          HZ3       LYS  12   7.116  -2.595  -4.227
   90    H    LEU  13           HN       LEU  13   2.900  -2.688   2.169
   91    HA   LEU  13           HA       LEU  13   2.707  -4.938   4.080
   92   1HB   LEU  13          HB2       LEU  13   1.290  -3.142   4.610
   93   2HB   LEU  13          HB1       LEU  13   0.906  -2.823   2.919
   94    HG   LEU  13           HG       LEU  13  -0.346  -4.992   2.848
   95   1HD1  LEU  13          HD11      LEU  13   0.776  -6.168   4.656
   96   2HD1  LEU  13          HD12      LEU  13  -0.932  -6.005   5.063
   97   3HD1  LEU  13          HD13      LEU  13   0.258  -4.946   5.818
   98   1HD2  LEU  13          HD21      LEU  13  -1.126  -2.537   3.894
   99   2HD2  LEU  13          HD22      LEU  13  -1.681  -3.692   5.106
  100   3HD2  LEU  13          HD23      LEU  13  -2.212  -3.848   3.432
  101    H    SER  14           HN       SER  14   2.986  -6.899   3.008
  102    HA   SER  14           HA       SER  14   2.129  -7.403   0.298
  103   1HB   SER  14          HB2       SER  14   2.621  -9.435   2.481
  104   2HB   SER  14          HB1       SER  14   2.932  -9.603   0.756
  105    HG   SER  14           HG       SER  14   4.800  -9.119   2.117
  106    H    CYS  15           HN       CYS  15   0.240  -8.410  -0.439
  107    HA   CYS  15           HA       CYS  15  -1.811  -9.170   1.606
  108   1HB   CYS  15          HB2       CYS  15  -3.447  -7.982   0.029
  109   2HB   CYS  15          HB1       CYS  15  -2.356  -6.934   0.936
  110    H    VAL  16           HN       VAL  16  -3.584 -10.503   0.584
  111    HA   VAL  16           HA       VAL  16  -2.631 -11.989  -1.842
  112    HB   VAL  16           HB       VAL  16  -2.218 -13.090   0.419
  113   1HG1  VAL  16          HG11      VAL  16  -5.050 -13.908   0.569
  114   2HG1  VAL  16          HG12      VAL  16  -4.756 -12.218   0.980
  115   3HG1  VAL  16          HG13      VAL  16  -3.926 -13.498   1.865
  116   1HG2  VAL  16          HG21      VAL  16  -4.196 -14.787  -1.039
  117   2HG2  VAL  16          HG22      VAL  16  -2.558 -15.174  -0.512
  118   3HG2  VAL  16          HG23      VAL  16  -2.811 -14.192  -1.956
  119    H    ALA  17           HN       ALA  17  -4.841  -9.885  -1.035
  120    HA   ALA  17           HA       ALA  17  -6.925 -11.060  -2.757
  121   1HB   ALA  17          HB1       ALA  17  -6.952 -11.326   0.072
  122   2HB   ALA  17          HB2       ALA  17  -8.238 -11.755  -1.057
  123   3HB   ALA  17          HB3       ALA  17  -8.192 -10.145  -0.342
  124    H    ASN  18           HN       ASN  18  -8.614  -9.410  -3.257
  125    HA   ASN  18           HA       ASN  18  -7.446  -6.710  -3.358
  126   1HB   ASN  18          HB2       ASN  18  -9.752  -8.208  -4.553
  127   2HB   ASN  18          HB1       ASN  18  -9.771  -6.444  -4.605
  128   1HD2  ASN  18          HD21      ASN  18  -9.590  -7.273  -7.082
  129   2HD2  ASN  18          HD22      ASN  18  -8.003  -7.322  -7.683
  130    H    ASN  19           HN       ASN  19 -10.274  -8.298  -1.858
  131    HA   ASN  19           HA       ASN  19 -11.560  -5.969  -0.867
  132   1HB   ASN  19          HB2       ASN  19 -12.623  -7.553   0.686
  133   2HB   ASN  19          HB1       ASN  19 -12.485  -8.273  -0.916
  134   1HD2  ASN  19          HD21      ASN  19 -12.654  -9.771   1.609
  135   2HD2  ASN  19          HD22      ASN  19 -11.212 -10.655   1.749
  136    H    TYR  20           HN       TYR  20  -9.044  -8.008   0.684
  137    HA   TYR  20           HA       TYR  20  -8.833  -6.788   3.181
  138   1HB   TYR  20          HB2       TYR  20  -7.453  -8.659   2.559
  139   2HB   TYR  20          HB1       TYR  20  -6.726  -7.757   1.228
  140    HD1  TYR  20           HD1      TYR  20  -4.525  -7.117   1.642
  141    HD2  TYR  20           HD2      TYR  20  -7.351  -7.119   4.876
  142    HE1  TYR  20           HE1      TYR  20  -2.769  -6.271   3.176
  143    HE2  TYR  20           HE2      TYR  20  -5.596  -6.275   6.410
  144    HH   TYR  20           HH       TYR  20  -2.885  -6.444   6.373
  145    H    CYS  21           HN       CYS  21  -7.022  -5.771   0.259
  146    HA   CYS  21           HA       CYS  21  -6.077  -3.302   1.417
  147   1HB   CYS  21          HB2       CYS  21  -6.322  -4.478  -1.355
  148   2HB   CYS  21          HB1       CYS  21  -5.667  -2.860  -1.106
  149    H    ASP  22           HN       ASP  22  -8.910  -4.196  -0.513
  150    HA   ASP  22           HA       ASP  22  -9.866  -1.699  -1.344
  151   1HB   ASP  22          HB2       ASP  22 -10.778  -4.069  -1.692
  152   2HB   ASP  22          HB1       ASP  22 -11.563  -3.889  -0.123
  153    H    ASN  23           HN       ASN  23 -10.487  -3.299   1.808
  154    HA   ASN  23           HA       ASN  23 -11.921  -1.039   2.916
  155   1HB   ASN  23          HB2       ASN  23 -11.976  -3.526   3.556
  156   2HB   ASN  23          HB1       ASN  23 -10.457  -3.232   4.405
  157   1HD2  ASN  23          HD21      ASN  23 -10.868  -2.916   6.596
  158   2HD2  ASN  23          HD22      ASN  23 -12.183  -2.047   7.227
  159    H    GLN  24           HN       GLN  24  -8.617  -2.325   3.465
  160    HA   GLN  24           HA       GLN  24  -7.636  -0.422   5.268
  161   1HB   GLN  24          HB2       GLN  24  -6.492  -2.466   4.373
  162   2HB   GLN  24          HB1       GLN  24  -6.217  -1.608   2.857
  163   1HG   GLN  24          HG2       GLN  24  -4.211  -1.209   3.979
  164   2HG   GLN  24          HG1       GLN  24  -5.147   0.220   4.419
  165   1HE2  GLN  24          HE21      GLN  24  -6.032   0.326   6.615
  166   2HE2  GLN  24          HE22      GLN  24  -5.460  -0.702   7.839
  167    H    CYS  25           HN       CYS  25  -7.054  -0.234   1.734
  168    HA   CYS  25           HA       CYS  25  -6.131   2.386   1.549
  169   1HB   CYS  25          HB2       CYS  25  -8.039   0.880  -0.272
  170   2HB   CYS  25          HB1       CYS  25  -7.082   2.278  -0.755
  171    H    LYS  26           HN       LYS  26  -9.563   1.378   1.272
  172    HA   LYS  26           HA       LYS  26 -10.842   3.820   1.017
  173   1HB   LYS  26          HB2       LYS  26 -11.946   1.626   1.101
  174   2HB   LYS  26          HB1       LYS  26 -11.551   1.473   2.812
  175   1HG   LYS  26          HG2       LYS  26 -12.890   3.543   3.256
  176   2HG   LYS  26          HG1       LYS  26 -13.370   3.551   1.559
  177   1HD   LYS  26          HD2       LYS  26 -13.849   1.228   3.449
  178   2HD   LYS  26          HD1       LYS  26 -15.058   2.453   3.059
  179   1HE   LYS  26          HE2       LYS  26 -15.039   1.820   0.713
  180   2HE   LYS  26          HE1       LYS  26 -13.674   0.718   0.982
  181   1HZ   LYS  26          HZ1       LYS  26 -14.991  -0.819   1.907
  182   2HZ   LYS  26          HZ2       LYS  26 -16.280   0.016   1.181
  183   3HZ   LYS  26          HZ3       LYS  26 -15.874   0.320   2.802
  184    H    MET  27           HN       MET  27 -10.032   2.306   4.173
  185    HA   MET  27           HA       MET  27 -10.753   4.465   5.840
  186   1HB   MET  27          HB2       MET  27  -8.821   2.175   5.920
  187   2HB   MET  27          HB1       MET  27  -8.722   3.387   7.199
  188   1HG   MET  27          HG2       MET  27 -11.464   2.872   6.909
  189   2HG   MET  27          HG1       MET  27 -10.694   1.288   6.815
  190   1HE   MET  27          HE1       MET  27  -8.072   1.574   8.624
  191   2HE   MET  27          HE2       MET  27  -9.230   0.270   8.378
  192   3HE   MET  27          HE3       MET  27  -8.830   0.787  10.014
  193    H    LYS  28           HN       LYS  28  -7.972   4.048   3.744
  194    HA   LYS  28           HA       LYS  28  -6.511   6.337   4.925
  195   1HB   LYS  28          HB2       LYS  28  -5.971   4.633   2.466
  196   2HB   LYS  28          HB1       LYS  28  -4.815   5.689   3.278
  197   1HG   LYS  28          HG2       LYS  28  -5.851   4.016   5.294
  198   2HG   LYS  28          HG1       LYS  28  -5.537   2.961   3.916
  199   1HD   LYS  28          HD2       LYS  28  -3.294   3.175   4.127
  200   2HD   LYS  28          HD1       LYS  28  -3.402   4.920   4.361
  201   1HE   LYS  28          HE2       LYS  28  -4.512   3.666   6.684
  202   2HE   LYS  28          HE1       LYS  28  -2.934   2.923   6.353
  203   1HZ   LYS  28          HZ1       LYS  28  -1.848   4.887   6.563
  204   2HZ   LYS  28          HZ2       LYS  28  -3.155   5.246   7.587
  205   3HZ   LYS  28          HZ3       LYS  28  -3.149   5.809   5.985
  206    H    LYS  29           HN       LYS  29  -9.220   6.441   3.385
  207    HA   LYS  29           HA       LYS  29 -10.267   7.985   1.941
  208   1HB   LYS  29          HB2       LYS  29  -8.899   9.510   3.386
  209   2HB   LYS  29          HB1       LYS  29  -7.594   9.395   2.203
  210   1HG   LYS  29          HG2       LYS  29  -9.859  10.000   0.679
  211   2HG   LYS  29          HG1       LYS  29 -10.012  11.013   2.115
  212   1HD   LYS  29          HD2       LYS  29  -7.488  11.546   1.702
  213   2HD   LYS  29          HD1       LYS  29  -7.809  10.959   0.068
  214   1HE   LYS  29          HE2       LYS  29  -9.909  12.588   0.256
  215   2HE   LYS  29          HE1       LYS  29  -8.867  13.405   1.437
  216   1HZ   LYS  29          HZ1       LYS  29  -8.415  12.937  -1.425
  217   2HZ   LYS  29          HZ2       LYS  29  -7.069  12.968  -0.389
  218   3HZ   LYS  29          HZ3       LYS  29  -8.092  14.320  -0.499
  219    H    ALA  30           HN       ALA  30  -8.881   5.729   0.750
  220    HA   ALA  30           HA       ALA  30  -7.764   6.946  -1.751
  221   1HB   ALA  30          HB1       ALA  30  -6.334   5.393  -0.443
  222   2HB   ALA  30          HB2       ALA  30  -6.713   4.733  -2.033
  223   3HB   ALA  30          HB3       ALA  30  -7.563   4.139  -0.606
  224    H    SER  31           HN       SER  31  -8.363   5.687  -3.782
  225    HA   SER  31           HA       SER  31 -11.229   4.815  -3.625
  226   1HB   SER  31          HB2       SER  31  -9.873   6.790  -5.122
  227   2HB   SER  31          HB1       SER  31 -10.258   5.506  -6.265
  228    HG   SER  31           HG       SER  31 -12.097   6.663  -4.433
  229    H    GLY  32           HN       GLY  32  -8.100   4.160  -5.223
  230   1HA   GLY  32          HA2       GLY  32  -9.180   1.530  -6.121
  231   2HA   GLY  32          HA1       GLY  32  -7.737   2.307  -6.774
  232    H    GLY  33           HN       GLY  33  -9.016   0.458  -4.071
  233   1HA   GLY  33          HA2       GLY  33  -6.208   0.066  -3.116
  234   2HA   GLY  33          HA1       GLY  33  -7.616  -0.037  -2.061
  235    H    HIS  34           HN       HIS  34  -5.458  -1.847  -3.857
  236    HA   HIS  34           HA       HIS  34  -7.073  -4.289  -3.444
  237   1HB   HIS  34          HB2       HIS  34  -6.907  -4.910  -5.824
  238   2HB   HIS  34          HB1       HIS  34  -7.749  -3.372  -5.649
  239    HD1  HIS  34           HD1      HIS  34  -6.851  -1.489  -7.018
  240    HD2  HIS  34           HD2      HIS  34  -3.989  -4.465  -6.442
  241    HE1  HIS  34           HE1      HIS  34  -4.829  -0.812  -8.386
  242    H    CYS  35           HN       CYS  35  -5.562  -6.144  -4.696
  243    HA   CYS  35           HA       CYS  35  -2.854  -5.764  -3.476
  244   1HB   CYS  35          HB2       CYS  35  -4.564  -7.577  -2.772
  245   2HB   CYS  35          HB1       CYS  35  -4.160  -8.360  -4.300
  246    H    TYR  36           HN       TYR  36  -1.153  -5.609  -4.871
  247    HA   TYR  36           HA       TYR  36  -1.324  -6.946  -7.536
  248   1HB   TYR  36          HB2       TYR  36  -1.857  -4.286  -7.182
  249   2HB   TYR  36          HB1       TYR  36  -0.117  -4.243  -7.464
  250    HD1  TYR  36           HD1      TYR  36   0.772  -4.514  -9.630
  251    HD2  TYR  36           HD2      TYR  36  -3.324  -5.552  -8.862
  252    HE1  TYR  36           HE1      TYR  36   0.397  -4.825 -12.060
  253    HE2  TYR  36           HE2      TYR  36  -3.700  -5.864 -11.294
  254    HH   TYR  36           HH       TYR  36  -2.822  -5.690 -13.326
  255    H    ALA  37           HN       ALA  37   0.574  -8.039  -7.913
  256    HA   ALA  37           HA       ALA  37   2.868  -8.613  -7.794
  257   1HB   ALA  37          HB1       ALA  37   3.728  -6.194  -6.406
  258   2HB   ALA  37          HB2       ALA  37   2.666  -5.822  -7.764
  259   3HB   ALA  37          HB3       ALA  37   4.141  -6.751  -8.027
  260    H    MET  38           HN       MET  38   0.930  -9.069  -5.537
  261    HA   MET  38           HA       MET  38   1.099 -10.080  -3.400
  262   1HB   MET  38          HB2       MET  38   3.607 -10.321  -4.669
  263   2HB   MET  38          HB1       MET  38   3.958  -9.752  -3.037
  264   1HG   MET  38          HG2       MET  38   3.654 -11.857  -2.305
  265   2HG   MET  38          HG1       MET  38   1.952 -11.710  -2.743
  266   1HE   MET  38          HE1       MET  38   3.101 -14.917  -3.183
  267   2HE   MET  38          HE2       MET  38   4.237 -13.777  -2.465
  268   3HE   MET  38          HE3       MET  38   4.695 -14.673  -3.911
  269    H    SER  39           HN       SER  39   1.667  -6.930  -4.113
  270    HA   SER  39           HA       SER  39   2.131  -6.202  -1.236
  271   1HB   SER  39          HB2       SER  39   2.761  -4.390  -3.545
  272   2HB   SER  39          HB1       SER  39   3.530  -4.478  -1.964
  273    HG   SER  39           HG       SER  39   4.950  -5.634  -3.010
  274    H    CYS  40           HN       CYS  40   0.686  -4.675  -0.362
  275    HA   CYS  40           HA       CYS  40  -1.862  -4.299  -1.686
  276   1HB   CYS  40          HB2       CYS  40  -1.290  -4.448   0.813
  277   2HB   CYS  40          HB1       CYS  40  -0.752  -2.773   0.683
  278    H    TYR  41           HN       TYR  41  -2.763  -2.228  -2.373
  279    HA   TYR  41           HA       TYR  41  -0.922   0.062  -2.698
  280   1HB   TYR  41          HB2       TYR  41  -0.370  -1.484  -4.537
  281   2HB   TYR  41          HB1       TYR  41  -2.065  -1.525  -5.019
  282    HD1  TYR  41           HD1      TYR  41  -3.057   0.262  -6.270
  283    HD2  TYR  41           HD2      TYR  41   0.929   0.645  -4.720
  284    HE1  TYR  41           HE1      TYR  41  -2.722   2.304  -7.637
  285    HE2  TYR  41           HE2      TYR  41   1.265   2.686  -6.086
  286    HH   TYR  41           HH       TYR  41   0.063   4.351  -7.223
  287    H    CYS  42           HN       CYS  42  -2.122   1.922  -2.574
  288    HA   CYS  42           HA       CYS  42  -5.069   1.723  -3.111
  289   1HB   CYS  42          HB2       CYS  42  -3.655   3.653  -1.252
  290   2HB   CYS  42          HB1       CYS  42  -5.372   3.257  -1.293
  291    H    GLU  43           HN       GLU  43  -5.975   3.367  -4.383
  292    HA   GLU  43           HA       GLU  43  -4.031   5.261  -5.661
  293   1HB   GLU  43          HB2       GLU  43  -5.416   3.330  -6.847
  294   2HB   GLU  43          HB1       GLU  43  -6.711   4.525  -6.792
  295   1HG   GLU  43          HG2       GLU  43  -5.355   6.132  -8.004
  296   2HG   GLU  43          HG1       GLU  43  -3.958   5.057  -7.941
  297    H    GLY  44           HN       GLY  44  -4.287   7.153  -4.427
  298   1HA   GLY  44          HA2       GLY  44  -5.830   9.191  -4.656
  299   2HA   GLY  44          HA1       GLY  44  -7.089   8.122  -4.040
  300    H    LEU  45           HN       LEU  45  -4.021   7.531  -2.643
  301    HA   LEU  45           HA       LEU  45  -4.857   8.131   0.008
  302   1HB   LEU  45          HB2       LEU  45  -2.124   7.908  -1.296
  303   2HB   LEU  45          HB1       LEU  45  -2.382   7.921   0.448
  304    HG   LEU  45           HG       LEU  45  -3.855   5.965  -1.306
  305   1HD1  LEU  45          HD11      LEU  45  -1.989   4.774  -1.707
  306   2HD1  LEU  45          HD12      LEU  45  -1.595   4.765   0.012
  307   3HD1  LEU  45          HD13      LEU  45  -1.035   6.086  -1.016
  308   1HD2  LEU  45          HD21      LEU  45  -4.494   5.037   0.676
  309   2HD2  LEU  45          HD22      LEU  45  -4.042   6.597   1.360
  310   3HD2  LEU  45          HD23      LEU  45  -2.900   5.255   1.397
  311    HA   PRO  46           HA       PRO  46  -4.208  12.454   0.392
  312   1HB   PRO  46          HB2       PRO  46  -3.095  12.673   2.880
  313   2HB   PRO  46          HB1       PRO  46  -4.801  12.266   2.617
  314   1HG   PRO  46          HG2       PRO  46  -2.516  10.489   3.292
  315   2HG   PRO  46          HG1       PRO  46  -4.198  10.423   3.837
  316   1HD   PRO  46          HD2       PRO  46  -3.162   8.797   1.896
  317   2HD   PRO  46          HD1       PRO  46  -4.880   9.236   2.006
  318    H    GLU  47           HN       GLU  47  -2.430  14.141   0.897
  319    HA   GLU  47           HA       GLU  47  -0.048  13.514  -0.608
  320   1HB   GLU  47          HB2       GLU  47  -1.143  15.734  -0.465
  321   2HB   GLU  47          HB1       GLU  47  -0.727  15.820   1.248
  322   1HG   GLU  47          HG2       GLU  47   1.711  15.450   0.473
  323   2HG   GLU  47          HG1       GLU  47   1.121  15.875  -1.134
  324    H    ASN  48           HN       ASN  48  -0.883  13.210   2.754
  325    HA   ASN  48           HA       ASN  48   2.004  12.963   3.492
  326   1HB   ASN  48          HB2       ASN  48   1.247  13.406   5.734
  327   2HB   ASN  48          HB1       ASN  48   0.415  14.550   4.681
  328   1HD2  ASN  48          HD21      ASN  48  -1.717  14.750   5.363
  329   2HD2  ASN  48          HD22      ASN  48  -2.702  13.468   5.881
  330    H    ALA  49           HN       ALA  49   0.016  10.881   2.189
  331    HA   ALA  49           HA       ALA  49  -0.505   8.806   4.052
  332   1HB   ALA  49          HB1       ALA  49  -0.591   9.283   1.255
  333   2HB   ALA  49          HB2       ALA  49  -1.317   7.937   2.133
  334   3HB   ALA  49          HB3       ALA  49   0.315   7.787   1.484
  335    H    LYS  50           HN       LYS  50   0.736   6.859   4.480
  336    HA   LYS  50           HA       LYS  50   3.686   7.329   4.380
  337   1HB   LYS  50          HB2       LYS  50   2.151   6.840   6.487
  338   2HB   LYS  50          HB1       LYS  50   2.333   5.166   5.960
  339   1HG   LYS  50          HG2       LYS  50   4.900   5.921   5.778
  340   2HG   LYS  50          HG1       LYS  50   4.380   7.049   7.031
  341   1HD   LYS  50          HD2       LYS  50   3.837   4.074   7.162
  342   2HD   LYS  50          HD1       LYS  50   5.253   4.830   7.894
  343   1HE   LYS  50          HE2       LYS  50   2.532   5.956   8.503
  344   2HE   LYS  50          HE1       LYS  50   3.084   4.500   9.356
  345   1HZ   LYS  50          HZ1       LYS  50   5.255   5.791   9.644
  346   2HZ   LYS  50          HZ2       LYS  50   3.942   6.236  10.626
  347   3HZ   LYS  50          HZ3       LYS  50   4.346   7.172   9.266
  348    H    VAL  51           HN       VAL  51   3.504   6.623   2.014
  349    HA   VAL  51           HA       VAL  51   3.484   3.630   1.833
  350    HB   VAL  51           HB       VAL  51   2.578   3.963  -0.423
  351   1HG1  VAL  51          HG11      VAL  51   1.233   4.367   1.924
  352   2HG1  VAL  51          HG12      VAL  51   0.458   4.303   0.341
  353   3HG1  VAL  51          HG13      VAL  51   0.866   5.860   1.060
  354   1HG2  VAL  51          HG21      VAL  51   2.329   6.073  -1.422
  355   2HG2  VAL  51          HG22      VAL  51   3.865   6.246  -0.575
  356   3HG2  VAL  51          HG23      VAL  51   2.393   6.918   0.124
  357    H    SER  52           HN       SER  52   4.818   2.889  -0.127
  358    HA   SER  52           HA       SER  52   7.454   4.226  -0.030
  359   1HB   SER  52          HB2       SER  52   6.858   1.697   0.169
  360   2HB   SER  52          HB1       SER  52   6.681   1.755  -1.581
  361    HG   SER  52           HG       SER  52   8.889   2.938  -1.254
  362    H    ASP  53           HN       ASP  53   7.979   5.719  -1.590
  363    HA   ASP  53           HA       ASP  53   6.358   5.917  -4.053
  364   1HB   ASP  53          HB2       ASP  53   7.727   7.976  -4.351
  365   2HB   ASP  53          HB1       ASP  53   6.989   7.909  -2.750
  366    H    SER  54           HN       SER  54   8.236   3.597  -3.591
  367    HA   SER  54           HA       SER  54   9.882   3.951  -6.069
  368   1HB   SER  54          HB2       SER  54  11.658   2.689  -4.892
  369   2HB   SER  54          HB1       SER  54  11.242   4.157  -4.012
  370    HG   SER  54           HG       SER  54  10.313   2.988  -2.478
  371    H    ALA  55           HN       ALA  55   8.406   2.716  -7.336
  372    HA   ALA  55           HA       ALA  55   7.072   0.335  -6.628
  373   1HB   ALA  55          HB1       ALA  55   6.416   0.615  -8.775
  374   2HB   ALA  55          HB2       ALA  55   8.050   0.288  -9.354
  375   3HB   ALA  55          HB3       ALA  55   7.585   1.929  -8.907
  376    H    THR  56           HN       THR  56  10.442   0.896  -7.149
  377    HA   THR  56           HA       THR  56  10.944  -2.063  -7.193
  378    HB   THR  56           HB       THR  56  12.811   0.098  -8.175
  379    HG1  THR  56           HG1      THR  56  11.257  -1.249 -10.014
  380   1HG2  THR  56          HG21      THR  56  12.514  -2.871  -8.486
  381   2HG2  THR  56          HG22      THR  56  13.958  -1.926  -8.122
  382   3HG2  THR  56          HG23      THR  56  13.305  -1.941  -9.760
  383    H    ASN  57           HN       ASN  57  10.894  -1.940  -4.769
  384    HA   ASN  57           HA       ASN  57  13.560  -1.134  -3.717
  385   1HB   ASN  57          HB2       ASN  57  12.620   0.244  -2.022
  386   2HB   ASN  57          HB1       ASN  57  11.739   0.685  -3.484
  387   1HD2  ASN  57          HD21      ASN  57  11.489  -1.211  -0.468
  388   2HD2  ASN  57          HD22      ASN  57   9.794  -1.301  -0.473
  389    H    ILE  58           HN       ILE  58  13.740  -1.989  -1.350
  390    HA   ILE  58           HA       ILE  58  12.093  -4.451  -0.955
  391    HB   ILE  58           HB       ILE  58  14.031  -5.221  -2.103
  392   1HG1  ILE  58          HG12      ILE  58  14.452  -5.443   0.893
  393   2HG1  ILE  58          HG11      ILE  58  13.594  -6.582  -0.144
  394   1HG2  ILE  58          HG21      ILE  58  15.392  -3.235  -2.049
  395   2HG2  ILE  58          HG22      ILE  58  16.336  -4.529  -1.310
  396   3HG2  ILE  58          HG23      ILE  58  15.546  -3.323  -0.294
  397   1HD1  ILE  58          HD11      ILE  58  16.528  -6.149   0.176
  398   2HD1  ILE  58          HD12      ILE  58  15.943  -6.571  -1.433
  399   3HD1  ILE  58          HD13      ILE  58  15.633  -7.649  -0.073
  400    H    CYS  59           HN       CYS  59  12.107  -5.197   1.274
  401    HA   CYS  59           HA       CYS  59  13.287  -3.295   3.261
  402   1HB   CYS  59          HB2       CYS  59  10.795  -2.954   2.595
  403   2HB   CYS  59          HB1       CYS  59  10.503  -4.435   3.508
  404    H    GLY  60           HN       GLY  60  14.269  -4.385   4.930
  405   1HA   GLY  60          HA2       GLY  60  13.538  -6.510   6.435
  406   2HA   GLY  60          HA1       GLY  60  14.094  -7.328   4.974
  Start of MODEL   20
    1   1H    LYS   1          HT1       LYS   1  -3.587  11.167  -3.820
    2   2H    LYS   1          HT2       LYS   1  -2.441  11.688  -2.679
    3   3H    LYS   1          HT3       LYS   1  -3.228  10.196  -2.478
    4    HA   LYS   1           HA       LYS   1  -1.731  10.557  -4.961
    5   1HB   LYS   1          HB2       LYS   1   0.383  10.419  -3.893
    6   2HB   LYS   1          HB1       LYS   1  -0.500  11.600  -2.927
    7   1HG   LYS   1          HG2       LYS   1  -1.098   9.854  -1.303
    8   2HG   LYS   1          HG1       LYS   1  -0.256   8.648  -2.276
    9   1HD   LYS   1          HD2       LYS   1   1.869   9.800  -1.942
   10   2HD   LYS   1          HD1       LYS   1   1.056  11.101  -1.071
   11   1HE   LYS   1          HE2       LYS   1   0.232   9.286   0.560
   12   2HE   LYS   1          HE1       LYS   1   1.444   8.230  -0.193
   13   1HZ   LYS   1          HZ1       LYS   1   3.168   9.679   0.377
   14   2HZ   LYS   1          HZ2       LYS   1   2.202   9.639   1.774
   15   3HZ   LYS   1          HZ3       LYS   1   2.115  10.964   0.714
   16    H    ASP   2           HN       ASP   2  -0.733   8.409  -5.476
   17    HA   ASP   2           HA       ASP   2  -2.244   6.172  -4.163
   18   1HB   ASP   2          HB2       ASP   2  -1.075   6.213  -6.954
   19   2HB   ASP   2          HB1       ASP   2  -2.340   5.160  -6.321
   20    H    GLY   3           HN       GLY   3  -1.022   4.458  -3.375
   21   1HA   GLY   3          HA2       GLY   3   1.609   3.788  -4.304
   22   2HA   GLY   3          HA1       GLY   3   1.739   4.772  -2.849
   23    H    TYR   4           HN       TYR   4   2.750   2.620  -2.139
   24    HA   TYR   4           HA       TYR   4   0.667   0.650  -1.286
   25   1HB   TYR   4          HB2       TYR   4   3.694   0.439  -1.331
   26   2HB   TYR   4          HB1       TYR   4   2.544  -0.886  -1.144
   27    HD1  TYR   4           HD1      TYR   4   1.531  -1.917  -3.024
   28    HD2  TYR   4           HD2      TYR   4   3.722   1.751  -3.507
   29    HE1  TYR   4           HE1      TYR   4   1.388  -2.157  -5.487
   30    HE2  TYR   4           HE2      TYR   4   3.577   1.508  -5.972
   31    HH   TYR   4           HH       TYR   4   1.722  -1.135  -7.454
   32    HA   PRO   5           HA       PRO   5   1.265   2.488   2.743
   33   1HB   PRO   5          HB2       PRO   5  -0.483   0.847   4.063
   34   2HB   PRO   5          HB1       PRO   5  -1.008   2.225   3.075
   35   1HG   PRO   5          HG2       PRO   5  -0.957  -0.675   2.400
   36   2HG   PRO   5          HG1       PRO   5  -2.166   0.555   2.002
   37   1HD   PRO   5          HD2       PRO   5  -0.303  -0.337   0.228
   38   2HD   PRO   5          HD1       PRO   5  -1.002   1.297   0.172
   39    H    VAL   6           HN       VAL   6   2.650   1.913   4.426
   40    HA   VAL   6           HA       VAL   6   3.710  -0.891   4.386
   41    HB   VAL   6           HB       VAL   6   5.758   0.121   5.212
   42   1HG1  VAL   6          HG11      VAL   6   5.150   2.171   3.208
   43   2HG1  VAL   6          HG12      VAL   6   4.661   0.549   2.716
   44   3HG1  VAL   6          HG13      VAL   6   6.338   0.868   3.158
   45   1HG2  VAL   6          HG21      VAL   6   5.476   2.836   5.143
   46   2HG2  VAL   6          HG22      VAL   6   5.377   1.876   6.620
   47   3HG2  VAL   6          HG23      VAL   6   3.904   2.354   5.779
   48    H    ASP   7           HN       ASP   7   4.736  -1.398   6.635
   49    HA   ASP   7           HA       ASP   7   2.570  -1.227   8.625
   50   1HB   ASP   7          HB2       ASP   7   4.026  -2.833   9.819
   51   2HB   ASP   7          HB1       ASP   7   3.821  -3.311   8.133
   52    H    SER   8           HN       SER   8   3.760  -1.052  11.025
   53    HA   SER   8           HA       SER   8   4.361   1.717  11.377
   54   1HB   SER   8          HB2       SER   8   5.001   0.912  13.669
   55   2HB   SER   8          HB1       SER   8   3.453   0.275  13.122
   56    HG   SER   8           HG       SER   8   4.354  -1.579  13.555
   57    H    LYS   9           HN       LYS   9   6.311  -0.853  10.233
   58    HA   LYS   9           HA       LYS   9   8.867   0.319  11.143
   59   1HB   LYS   9          HB2       LYS   9   8.580  -2.095  11.105
   60   2HB   LYS   9          HB1       LYS   9   8.099  -2.049   9.409
   61   1HG   LYS   9          HG2       LYS   9  10.316  -2.541   9.087
   62   2HG   LYS   9          HG1       LYS   9  10.474  -0.788   9.217
   63   1HD   LYS   9          HD2       LYS   9  11.778  -1.046  11.029
   64   2HD   LYS   9          HD1       LYS   9  10.448  -1.848  11.864
   65   1HE   LYS   9          HE2       LYS   9  11.475  -3.761  10.047
   66   2HE   LYS   9          HE1       LYS   9  12.880  -3.021  10.840
   67   1HZ   LYS   9          HZ1       LYS   9  12.283  -4.488  12.458
   68   2HZ   LYS   9          HZ2       LYS   9  10.642  -4.492  12.020
   69   3HZ   LYS   9          HZ3       LYS   9  11.283  -3.195  12.911
   70    H    GLY  10           HN       GLY  10   6.915   0.106   8.182
   71   1HA   GLY  10          HA2       GLY  10   7.219   2.073   6.634
   72   2HA   GLY  10          HA1       GLY  10   8.955   1.848   6.850
   73    H    CYS  11           HN       CYS  11   7.910  -1.209   6.854
   74    HA   CYS  11           HA       CYS  11   8.701  -1.668   4.071
   75   1HB   CYS  11          HB2       CYS  11   7.593  -3.558   6.173
   76   2HB   CYS  11          HB1       CYS  11   8.529  -4.005   4.747
   77    H    LYS  12           HN       LYS  12   7.324  -2.334   2.390
   78    HA   LYS  12           HA       LYS  12   4.637  -1.453   2.308
   79   1HB   LYS  12          HB2       LYS  12   6.299  -3.446   0.771
   80   2HB   LYS  12          HB1       LYS  12   4.616  -3.150   0.331
   81   1HG   LYS  12          HG2       LYS  12   5.023  -0.898  -0.214
   82   2HG   LYS  12          HG1       LYS  12   6.528  -0.853   0.705
   83   1HD   LYS  12          HD2       LYS  12   7.083  -0.932  -1.656
   84   2HD   LYS  12          HD1       LYS  12   7.505  -2.486  -0.936
   85   1HE   LYS  12          HE2       LYS  12   5.209  -3.323  -1.685
   86   2HE   LYS  12          HE1       LYS  12   5.088  -1.835  -2.646
   87   1HZ   LYS  12          HZ1       LYS  12   7.119  -2.355  -3.755
   88   2HZ   LYS  12          HZ2       LYS  12   6.121  -3.727  -3.860
   89   3HZ   LYS  12          HZ3       LYS  12   7.405  -3.689  -2.748
   90    H    LEU  13           HN       LEU  13   2.638  -2.731   2.293
   91    HA   LEU  13           HA       LEU  13   2.707  -4.941   4.275
   92   1HB   LEU  13          HB2       LEU  13   1.132  -3.107   4.598
   93   2HB   LEU  13          HB1       LEU  13   0.492  -3.326   2.968
   94    HG   LEU  13           HG       LEU  13  -0.253  -5.611   3.588
   95   1HD1  LEU  13          HD11      LEU  13   0.658  -4.789   6.364
   96   2HD1  LEU  13          HD12      LEU  13   1.432  -6.013   5.357
   97   3HD1  LEU  13          HD13      LEU  13  -0.205  -6.273   5.962
   98   1HD2  LEU  13          HD21      LEU  13  -1.639  -3.455   3.929
   99   2HD2  LEU  13          HD22      LEU  13  -1.285  -3.656   5.646
  100   3HD2  LEU  13          HD23      LEU  13  -2.177  -4.905   4.777
  101    H    SER  14           HN       SER  14   2.755  -7.026   3.525
  102    HA   SER  14           HA       SER  14   2.470  -7.741   0.759
  103   1HB   SER  14          HB2       SER  14   2.196  -9.425   3.270
  104   2HB   SER  14          HB1       SER  14   2.589 -10.021   1.660
  105    HG   SER  14           HG       SER  14   4.324  -9.416   3.361
  106    H    CYS  15           HN       CYS  15   0.592  -8.037  -0.394
  107    HA   CYS  15           HA       CYS  15  -1.964  -8.278   1.153
  108   1HB   CYS  15          HB2       CYS  15  -2.965  -7.222  -0.822
  109   2HB   CYS  15          HB1       CYS  15  -1.598  -6.259  -0.260
  110    H    VAL  16           HN       VAL  16  -3.299 -10.016   0.737
  111    HA   VAL  16           HA       VAL  16  -2.390 -11.976  -1.346
  112    HB   VAL  16           HB       VAL  16  -2.147 -12.676   1.027
  113   1HG1  VAL  16          HG11      VAL  16  -4.270 -13.042   2.329
  114   2HG1  VAL  16          HG12      VAL  16  -5.132 -12.148   1.077
  115   3HG1  VAL  16          HG13      VAL  16  -3.896 -11.342   2.043
  116   1HG2  VAL  16          HG21      VAL  16  -3.720 -14.719   0.850
  117   2HG2  VAL  16          HG22      VAL  16  -2.549 -14.490  -0.449
  118   3HG2  VAL  16          HG23      VAL  16  -4.233 -14.028  -0.690
  119    H    ALA  17           HN       ALA  17  -4.964  -9.991  -0.165
  120    HA   ALA  17           HA       ALA  17  -6.775 -11.093  -2.281
  121   1HB   ALA  17          HB1       ALA  17  -7.058 -11.559   0.394
  122   2HB   ALA  17          HB2       ALA  17  -8.413 -11.496  -0.733
  123   3HB   ALA  17          HB3       ALA  17  -7.992 -10.073   0.220
  124    H    ASN  18           HN       ASN  18  -8.476  -9.476  -2.892
  125    HA   ASN  18           HA       ASN  18  -7.324  -6.769  -3.046
  126   1HB   ASN  18          HB2       ASN  18  -9.772  -8.157  -4.173
  127   2HB   ASN  18          HB1       ASN  18  -9.370  -6.478  -4.530
  128   1HD2  ASN  18          HD21      ASN  18  -8.986  -9.572  -5.718
  129   2HD2  ASN  18          HD22      ASN  18  -7.585  -9.339  -6.648
  130    H    ASN  19           HN       ASN  19 -10.444  -8.173  -1.969
  131    HA   ASN  19           HA       ASN  19 -11.699  -5.923  -0.927
  132   1HB   ASN  19          HB2       ASN  19 -12.599  -7.644   0.780
  133   2HB   ASN  19          HB1       ASN  19 -12.812  -8.024  -0.929
  134   1HD2  ASN  19          HD21      ASN  19 -11.921  -9.474   1.904
  135   2HD2  ASN  19          HD22      ASN  19 -10.854 -10.651   1.306
  136    H    TYR  20           HN       TYR  20  -9.142  -7.870   0.622
  137    HA   TYR  20           HA       TYR  20  -9.139  -6.654   3.183
  138   1HB   TYR  20          HB2       TYR  20  -7.843  -8.623   2.733
  139   2HB   TYR  20          HB1       TYR  20  -6.974  -7.829   1.418
  140    HD1  TYR  20           HD1      TYR  20  -7.550  -7.717   5.101
  141    HD2  TYR  20           HD2      TYR  20  -4.991  -6.594   1.838
  142    HE1  TYR  20           HE1      TYR  20  -5.842  -6.920   6.713
  143    HE2  TYR  20           HE2      TYR  20  -3.282  -5.797   3.453
  144    HH   TYR  20           HH       TYR  20  -3.158  -6.628   6.550
  145    H    CYS  21           HN       CYS  21  -7.218  -5.782   0.289
  146    HA   CYS  21           HA       CYS  21  -5.991  -3.458   1.434
  147   1HB   CYS  21          HB2       CYS  21  -6.501  -4.594  -1.297
  148   2HB   CYS  21          HB1       CYS  21  -5.864  -2.954  -1.166
  149    H    ASP  22           HN       ASP  22  -8.956  -3.889  -0.513
  150    HA   ASP  22           HA       ASP  22  -9.671  -1.210  -0.956
  151   1HB   ASP  22          HB2       ASP  22 -10.869  -3.129  -1.868
  152   2HB   ASP  22          HB1       ASP  22 -11.356  -3.635  -0.250
  153    H    ASN  23           HN       ASN  23 -10.062  -3.171   1.986
  154    HA   ASN  23           HA       ASN  23 -11.609  -1.188   3.431
  155   1HB   ASN  23          HB2       ASN  23 -11.151  -3.800   3.727
  156   2HB   ASN  23          HB1       ASN  23  -9.864  -3.212   4.781
  157   1HD2  ASN  23          HD21      ASN  23 -13.198  -3.936   4.675
  158   2HD2  ASN  23          HD22      ASN  23 -13.659  -3.149   6.107
  159    H    GLN  24           HN       GLN  24  -8.219  -2.290   3.908
  160    HA   GLN  24           HA       GLN  24  -7.339  -0.330   5.691
  161   1HB   GLN  24          HB2       GLN  24  -6.174  -2.362   4.542
  162   2HB   GLN  24          HB1       GLN  24  -5.705  -1.193   3.306
  163   1HG   GLN  24          HG2       GLN  24  -3.921  -1.303   4.936
  164   2HG   GLN  24          HG1       GLN  24  -4.743   0.245   5.136
  165   1HE2  GLN  24          HE21      GLN  24  -5.161   0.720   7.291
  166   2HE2  GLN  24          HE22      GLN  24  -5.464  -0.425   8.506
  167    H    CYS  25           HN       CYS  25  -7.093  -0.118   2.119
  168    HA   CYS  25           HA       CYS  25  -6.188   2.538   1.902
  169   1HB   CYS  25          HB2       CYS  25  -8.180   1.052   0.157
  170   2HB   CYS  25          HB1       CYS  25  -7.144   2.384  -0.354
  171    H    LYS  26           HN       LYS  26  -9.598   1.444   1.673
  172    HA   LYS  26           HA       LYS  26 -10.912   3.890   1.582
  173   1HB   LYS  26          HB2       LYS  26 -11.821   1.507   1.579
  174   2HB   LYS  26          HB1       LYS  26 -11.728   1.562   3.340
  175   1HG   LYS  26          HG2       LYS  26 -13.234   3.477   3.405
  176   2HG   LYS  26          HG1       LYS  26 -13.258   3.555   1.642
  177   1HD   LYS  26          HD2       LYS  26 -15.203   2.350   2.031
  178   2HD   LYS  26          HD1       LYS  26 -14.041   1.032   1.869
  179   1HE   LYS  26          HE2       LYS  26 -13.738   1.377   4.476
  180   2HE   LYS  26          HE1       LYS  26 -15.355   2.096   4.350
  181   1HZ   LYS  26          HZ1       LYS  26 -14.504  -0.647   3.844
  182   2HZ   LYS  26          HZ2       LYS  26 -15.673  -0.008   2.789
  183   3HZ   LYS  26          HZ3       LYS  26 -15.974  -0.068   4.461
  184    H    MET  27           HN       MET  27  -9.802   2.199   4.543
  185    HA   MET  27           HA       MET  27 -10.719   4.026   6.479
  186   1HB   MET  27          HB2       MET  27  -8.436   2.112   6.184
  187   2HB   MET  27          HB1       MET  27  -8.424   3.199   7.573
  188   1HG   MET  27          HG2       MET  27  -9.983   1.954   8.613
  189   2HG   MET  27          HG1       MET  27 -11.069   2.104   7.231
  190   1HE   MET  27          HE1       MET  27  -7.649  -0.395   8.124
  191   2HE   MET  27          HE2       MET  27  -8.969  -1.210   8.959
  192   3HE   MET  27          HE3       MET  27  -8.701   0.511   9.220
  193    H    LYS  28           HN       LYS  28  -7.799   4.156   4.449
  194    HA   LYS  28           HA       LYS  28  -6.944   6.712   5.668
  195   1HB   LYS  28          HB2       LYS  28  -5.915   4.755   3.622
  196   2HB   LYS  28          HB1       LYS  28  -5.191   6.359   3.741
  197   1HG   LYS  28          HG2       LYS  28  -4.357   5.979   5.875
  198   2HG   LYS  28          HG1       LYS  28  -5.593   4.778   6.255
  199   1HD   LYS  28          HD2       LYS  28  -3.873   3.314   5.886
  200   2HD   LYS  28          HD1       LYS  28  -4.354   3.523   4.201
  201   1HE   LYS  28          HE2       LYS  28  -1.994   3.902   4.211
  202   2HE   LYS  28          HE1       LYS  28  -2.701   5.529   4.188
  203   1HZ   LYS  28          HZ1       LYS  28  -0.963   5.073   5.966
  204   2HZ   LYS  28          HZ2       LYS  28  -2.136   4.102   6.719
  205   3HZ   LYS  28          HZ3       LYS  28  -2.423   5.761   6.487
  206    H    LYS  29           HN       LYS  29  -9.492   6.283   3.964
  207    HA   LYS  29           HA       LYS  29 -10.714   7.570   2.418
  208   1HB   LYS  29          HB2       LYS  29  -9.333   9.258   3.953
  209   2HB   LYS  29          HB1       LYS  29  -8.518   9.602   2.426
  210   1HG   LYS  29          HG2       LYS  29 -11.263   9.506   1.803
  211   2HG   LYS  29          HG1       LYS  29 -11.153  10.423   3.305
  212   1HD   LYS  29          HD2       LYS  29  -9.233  11.715   2.153
  213   2HD   LYS  29          HD1       LYS  29  -9.836  11.008   0.654
  214   1HE   LYS  29          HE2       LYS  29 -11.766  12.377   2.520
  215   2HE   LYS  29          HE1       LYS  29 -10.780  13.340   1.404
  216   1HZ   LYS  29          HZ1       LYS  29 -12.987  11.609   0.828
  217   2HZ   LYS  29          HZ2       LYS  29 -11.614  11.208  -0.091
  218   3HZ   LYS  29          HZ3       LYS  29 -12.255  12.780  -0.155
  219    H    ALA  30           HN       ALA  30  -9.204   5.571   1.224
  220    HA   ALA  30           HA       ALA  30  -7.828   6.875  -1.088
  221   1HB   ALA  30          HB1       ALA  30  -7.352   4.590   0.538
  222   2HB   ALA  30          HB2       ALA  30  -6.414   5.124  -0.856
  223   3HB   ALA  30          HB3       ALA  30  -7.748   3.991  -1.072
  224    H    SER  31           HN       SER  31  -8.337   5.777  -3.270
  225    HA   SER  31           HA       SER  31 -11.270   5.152  -3.390
  226   1HB   SER  31          HB2       SER  31  -9.404   6.856  -4.936
  227   2HB   SER  31          HB1       SER  31 -10.575   5.961  -5.898
  228    HG   SER  31           HG       SER  31 -11.010   8.175  -4.662
  229    H    GLY  32           HN       GLY  32  -8.050   4.198  -4.511
  230   1HA   GLY  32          HA2       GLY  32  -9.310   1.786  -5.763
  231   2HA   GLY  32          HA1       GLY  32  -7.828   2.521  -6.375
  232    H    GLY  33           HN       GLY  33  -9.202   0.644  -3.723
  233   1HA   GLY  33          HA2       GLY  33  -6.437   0.103  -2.743
  234   2HA   GLY  33          HA1       GLY  33  -7.902  -0.164  -1.804
  235    H    HIS  34           HN       HIS  34  -5.641  -1.598  -3.867
  236    HA   HIS  34           HA       HIS  34  -7.182  -4.148  -3.843
  237   1HB   HIS  34          HB2       HIS  34  -6.422  -4.373  -6.293
  238   2HB   HIS  34          HB1       HIS  34  -7.707  -3.209  -5.971
  239    HD1  HIS  34           HD1      HIS  34  -3.906  -3.247  -6.308
  240    HD2  HIS  34           HD2      HIS  34  -7.127  -0.655  -6.846
  241    HE1  HIS  34           HE1      HIS  34  -2.953  -1.112  -7.282
  242    H    CYS  35           HN       CYS  35  -5.648  -5.983  -4.614
  243    HA   CYS  35           HA       CYS  35  -2.987  -5.542  -3.348
  244   1HB   CYS  35          HB2       CYS  35  -4.299  -7.355  -2.458
  245   2HB   CYS  35          HB1       CYS  35  -4.644  -7.974  -4.073
  246    H    TYR  36           HN       TYR  36  -1.237  -5.297  -4.664
  247    HA   TYR  36           HA       TYR  36  -1.172  -6.697  -7.295
  248   1HB   TYR  36          HB2       TYR  36  -1.759  -3.943  -6.860
  249   2HB   TYR  36          HB1       TYR  36  -0.142  -4.022  -7.559
  250    HD1  TYR  36           HD1      TYR  36  -3.710  -4.615  -8.117
  251    HD2  TYR  36           HD2      TYR  36   0.229  -5.106  -9.759
  252    HE1  TYR  36           HE1      TYR  36  -4.696  -5.070 -10.347
  253    HE2  TYR  36           HE2      TYR  36  -0.758  -5.562 -11.988
  254    HH   TYR  36           HH       TYR  36  -2.735  -5.262 -13.218
  255    H    ALA  37           HN       ALA  37   0.930  -7.361  -7.814
  256    HA   ALA  37           HA       ALA  37   3.257  -7.702  -7.546
  257   1HB   ALA  37          HB1       ALA  37   4.059  -5.599  -7.773
  258   2HB   ALA  37          HB2       ALA  37   4.011  -5.461  -6.016
  259   3HB   ALA  37          HB3       ALA  37   2.637  -4.922  -6.980
  260    H    MET  38           HN       MET  38   1.353  -8.722  -5.548
  261    HA   MET  38           HA       MET  38   1.422  -9.752  -3.423
  262   1HB   MET  38          HB2       MET  38   4.372  -9.148  -3.814
  263   2HB   MET  38          HB1       MET  38   3.707 -10.339  -2.696
  264   1HG   MET  38          HG2       MET  38   2.800 -10.580  -5.507
  265   2HG   MET  38          HG1       MET  38   4.503 -10.941  -5.224
  266   1HE   MET  38          HE1       MET  38   4.468 -13.895  -5.437
  267   2HE   MET  38          HE2       MET  38   3.456 -12.845  -6.426
  268   3HE   MET  38          HE3       MET  38   2.754 -14.269  -5.663
  269    H    SER  39           HN       SER  39   1.549  -6.622  -3.822
  270    HA   SER  39           HA       SER  39   2.029  -6.038  -0.922
  271   1HB   SER  39          HB2       SER  39   2.736  -4.121  -3.137
  272   2HB   SER  39          HB1       SER  39   3.355  -4.174  -1.489
  273    HG   SER  39           HG       SER  39   3.937  -5.847  -3.686
  274    H    CYS  40           HN       CYS  40   0.508  -4.613  -0.028
  275    HA   CYS  40           HA       CYS  40  -2.001  -4.245  -1.406
  276   1HB   CYS  40          HB2       CYS  40  -1.418  -4.453   1.108
  277   2HB   CYS  40          HB1       CYS  40  -1.033  -2.734   1.024
  278    H    TYR  41           HN       TYR  41  -2.926  -2.256  -2.157
  279    HA   TYR  41           HA       TYR  41  -1.139   0.116  -2.354
  280   1HB   TYR  41          HB2       TYR  41  -0.717  -1.383  -4.298
  281   2HB   TYR  41          HB1       TYR  41  -2.431  -1.305  -4.706
  282    HD1  TYR  41           HD1      TYR  41  -3.400   0.667  -5.714
  283    HD2  TYR  41           HD2      TYR  41   0.715   0.628  -4.485
  284    HE1  TYR  41           HE1      TYR  41  -3.004   2.768  -6.972
  285    HE2  TYR  41           HE2      TYR  41   1.111   2.725  -5.745
  286    HH   TYR  41           HH       TYR  41  -0.120   3.850  -7.876
  287    H    CYS  42           HN       CYS  42  -2.333   2.067  -2.596
  288    HA   CYS  42           HA       CYS  42  -5.310   1.792  -2.778
  289   1HB   CYS  42          HB2       CYS  42  -3.855   3.666  -0.895
  290   2HB   CYS  42          HB1       CYS  42  -5.562   3.238  -0.885
  291    H    GLU  43           HN       GLU  43  -6.294   3.418  -3.981
  292    HA   GLU  43           HA       GLU  43  -4.469   5.361  -5.330
  293   1HB   GLU  43          HB2       GLU  43  -6.114   3.549  -6.392
  294   2HB   GLU  43          HB1       GLU  43  -7.302   4.829  -6.147
  295   1HG   GLU  43          HG2       GLU  43  -6.405   6.151  -7.771
  296   2HG   GLU  43          HG1       GLU  43  -4.749   5.719  -7.342
  297    H    GLY  44           HN       GLY  44  -4.461   7.113  -3.852
  298   1HA   GLY  44          HA2       GLY  44  -5.781   9.288  -3.745
  299   2HA   GLY  44          HA1       GLY  44  -7.140   8.290  -3.228
  300    H    LEU  45           HN       LEU  45  -3.943   7.478  -2.108
  301    HA   LEU  45           HA       LEU  45  -4.666   7.590   0.657
  302   1HB   LEU  45          HB2       LEU  45  -2.090   7.478  -0.919
  303   2HB   LEU  45          HB1       LEU  45  -2.081   7.481   0.845
  304    HG   LEU  45           HG       LEU  45  -3.889   5.563  -0.579
  305   1HD1  LEU  45          HD11      LEU  45  -2.177   4.517  -1.599
  306   2HD1  LEU  45          HD12      LEU  45  -1.485   4.196  -0.008
  307   3HD1  LEU  45          HD13      LEU  45  -1.018   5.646  -0.898
  308   1HD2  LEU  45          HD21      LEU  45  -4.182   4.979   1.580
  309   2HD2  LEU  45          HD22      LEU  45  -2.894   6.069   2.093
  310   3HD2  LEU  45          HD23      LEU  45  -2.510   4.419   1.602
  311    HA   PRO  46           HA       PRO  46  -3.938  11.787   1.704
  312   1HB   PRO  46          HB2       PRO  46  -2.661  11.601   4.117
  313   2HB   PRO  46          HB1       PRO  46  -4.384  11.235   3.906
  314   1HG   PRO  46          HG2       PRO  46  -2.075   9.382   4.144
  315   2HG   PRO  46          HG1       PRO  46  -3.725   9.218   4.763
  316   1HD   PRO  46          HD2       PRO  46  -2.788   7.949   2.516
  317   2HD   PRO  46          HD1       PRO  46  -4.500   8.320   2.813
  318    H    GLU  47           HN       GLU  47  -2.330  13.398   1.488
  319    HA   GLU  47           HA       GLU  47   0.083  12.783   0.141
  320   1HB   GLU  47          HB2       GLU  47  -1.262  14.966   0.376
  321   2HB   GLU  47          HB1       GLU  47  -0.388  15.203   1.890
  322   1HG   GLU  47          HG2       GLU  47   1.603  14.511   0.061
  323   2HG   GLU  47          HG1       GLU  47   0.536  15.579  -0.849
  324    H    ASN  48           HN       ASN  48  -0.648  12.613   3.527
  325    HA   ASN  48           HA       ASN  48   2.274  12.531   4.188
  326   1HB   ASN  48          HB2       ASN  48   1.253  12.730   6.572
  327   2HB   ASN  48          HB1       ASN  48   1.193  14.147   5.526
  328   1HD2  ASN  48          HD21      ASN  48  -0.842  11.185   5.975
  329   2HD2  ASN  48          HD22      ASN  48  -2.313  12.031   6.003
  330    H    ALA  49           HN       ALA  49   0.271  10.339   3.125
  331    HA   ALA  49           HA       ALA  49   0.057   8.380   5.239
  332   1HB   ALA  49          HB1       ALA  49   0.195   7.230   2.603
  333   2HB   ALA  49          HB2       ALA  49  -0.703   8.746   2.525
  334   3HB   ALA  49          HB3       ALA  49  -1.224   7.466   3.622
  335    H    LYS  50           HN       LYS  50   1.323   6.380   5.383
  336    HA   LYS  50           HA       LYS  50   4.188   6.819   4.689
  337   1HB   LYS  50          HB2       LYS  50   3.052   6.183   7.011
  338   2HB   LYS  50          HB1       LYS  50   3.156   4.550   6.352
  339   1HG   LYS  50          HG2       LYS  50   5.352   4.467   6.828
  340   2HG   LYS  50          HG1       LYS  50   5.637   5.915   5.861
  341   1HD   LYS  50          HD2       LYS  50   5.657   7.287   7.683
  342   2HD   LYS  50          HD1       LYS  50   4.378   6.386   8.499
  343   1HE   LYS  50          HE2       LYS  50   6.436   6.076   9.765
  344   2HE   LYS  50          HE1       LYS  50   6.088   4.550   8.927
  345   1HZ   LYS  50          HZ1       LYS  50   8.127   6.564   8.346
  346   2HZ   LYS  50          HZ2       LYS  50   7.403   5.785   7.021
  347   3HZ   LYS  50          HZ3       LYS  50   8.209   4.875   8.208
  348    H    VAL  51           HN       VAL  51   4.235   6.136   2.478
  349    HA   VAL  51           HA       VAL  51   3.748   3.205   2.095
  350    HB   VAL  51           HB       VAL  51   2.833   3.796  -0.144
  351   1HG1  VAL  51          HG11      VAL  51   0.869   5.308   0.954
  352   2HG1  VAL  51          HG12      VAL  51   1.628   4.682   2.418
  353   3HG1  VAL  51          HG13      VAL  51   1.002   3.568   1.204
  354   1HG2  VAL  51          HG21      VAL  51   2.313   6.185  -0.593
  355   2HG2  VAL  51          HG22      VAL  51   4.049   5.900  -0.463
  356   3HG2  VAL  51          HG23      VAL  51   3.171   6.632   0.881
  357    H    SER  52           HN       SER  52   4.913   2.421   0.065
  358    HA   SER  52           HA       SER  52   7.676   3.412   0.076
  359   1HB   SER  52          HB2       SER  52   7.538   1.091  -0.073
  360   2HB   SER  52          HB1       SER  52   6.092   1.142  -1.077
  361    HG   SER  52           HG       SER  52   7.313   1.594  -2.825
  362    H    ASP  53           HN       ASP  53   8.692   4.474  -1.672
  363    HA   ASP  53           HA       ASP  53   6.840   5.719  -3.635
  364   1HB   ASP  53          HB2       ASP  53   8.638   7.325  -3.891
  365   2HB   ASP  53          HB1       ASP  53   8.455   7.006  -2.166
  366    H    SER  54           HN       SER  54   8.495   2.914  -3.581
  367    HA   SER  54           HA       SER  54   9.113   3.068  -6.509
  368   1HB   SER  54          HB2       SER  54  11.174   1.877  -6.090
  369   2HB   SER  54          HB1       SER  54  11.120   3.234  -4.969
  370    HG   SER  54           HG       SER  54  11.138   1.845  -3.404
  371    H    ALA  55           HN       ALA  55   8.550   1.182  -7.667
  372    HA   ALA  55           HA       ALA  55   6.491  -0.508  -6.737
  373   1HB   ALA  55          HB1       ALA  55   6.646  -0.851  -8.973
  374   2HB   ALA  55          HB2       ALA  55   7.983  -1.952  -8.637
  375   3HB   ALA  55          HB3       ALA  55   8.305  -0.256  -8.999
  376    H    THR  56           HN       THR  56   9.974  -0.754  -6.379
  377    HA   THR  56           HA       THR  56   9.819  -3.502  -5.282
  378    HB   THR  56           HB       THR  56  12.320  -3.133  -5.157
  379    HG1  THR  56           HG1      THR  56  12.020  -0.850  -6.698
  380   1HG2  THR  56          HG21      THR  56  10.698  -3.620  -7.341
  381   2HG2  THR  56          HG22      THR  56  12.451  -3.805  -7.312
  382   3HG2  THR  56          HG23      THR  56  11.732  -2.309  -7.908
  383    H    ASN  57           HN       ASN  57  10.216  -3.972  -3.086
  384    HA   ASN  57           HA       ASN  57   9.690  -1.800  -1.176
  385   1HB   ASN  57          HB2       ASN  57   9.622  -3.698   0.405
  386   2HB   ASN  57          HB1       ASN  57   8.678  -4.063  -1.040
  387   1HD2  ASN  57          HD21      ASN  57  11.529  -4.963   0.797
  388   2HD2  ASN  57          HD22      ASN  57  11.988  -6.267  -0.188
  389    H    ILE  58           HN       ILE  58  11.337  -0.613  -0.283
  390    HA   ILE  58           HA       ILE  58  14.096  -1.764  -0.300
  391    HB   ILE  58           HB       ILE  58  13.134   1.092   0.053
  392   1HG1  ILE  58          HG12      ILE  58  12.458   0.026  -2.134
  393   2HG1  ILE  58          HG11      ILE  58  13.555   1.396  -2.313
  394   1HG2  ILE  58          HG21      ILE  58  15.828   0.053  -0.854
  395   2HG2  ILE  58          HG22      ILE  58  15.466   0.435   0.830
  396   3HG2  ILE  58          HG23      ILE  58  15.409   1.703  -0.394
  397   1HD1  ILE  58          HD11      ILE  58  14.521  -1.468  -2.177
  398   2HD1  ILE  58          HD12      ILE  58  15.439  -0.043  -2.668
  399   3HD1  ILE  58          HD13      ILE  58  14.145  -0.657  -3.697
  400    H    CYS  59           HN       CYS  59  12.944  -2.954   1.725
  401    HA   CYS  59           HA       CYS  59  13.288  -1.233   4.156
  402   1HB   CYS  59          HB2       CYS  59  11.255  -2.975   3.244
  403   2HB   CYS  59          HB1       CYS  59  12.031  -3.801   4.595
  404    H    GLY  60           HN       GLY  60  15.449  -2.663   2.608
  405   1HA   GLY  60          HA2       GLY  60  16.846  -3.792   4.873
  406   2HA   GLY  60          HA1       GLY  60  16.311  -5.057   3.765