*HEADER    ANTIBACTERIAL PEPTIDE                   20-MAY-97   2LEU      
*TITLE     HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN 90% AQUEOUS     
*TITLE    2 TRIFLUOROETHANOL (TFE) (0.1% TFA), 18 STRUCTURES             
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: LEUCOCIN A;                                        
*COMPND   3 CHAIN: NULL                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: LEUCONOSTOC GELIDUM;                    
*SOURCE   3 STRAIN: UAL 187;                                             
*SOURCE   4 GENE: LCAA                                                   
*KEYWDS    ANTIBACTERIAL PEPTIDE, BACTERIOCIN                            
*EXPDTA    NMR, 18 STRUCTURES                                            
*AUTHOR    N.L.F.GALLAGHER,M.SAILER,W.P.NIEMCZURA,T.T.NAKASHIMA,         
*AUTHOR   2 M.E.STILES,J.C.VEDERAS                                       
*REVDAT   1   12-OCT-04 2LEU    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_16:HG1*   1:VAL_16:HG2*   1:VAL_16:CG1    1:VAL_16:CG2    1:VAL_16:CB    
1:VAL_26:HG2*   1:VAL_26:HG1*   1:VAL_26:CG2    1:VAL_26:CG1    1:VAL_26:CB    
!
#chiral
1:LY+N_1:CA        S
1:TYR_2:CA         S
1:TYR_3:CA         S
1:ASN_5:CA         S
1:VAL_7:CA         S
1:HIS+_8:CA        S
1:CYS_9:CA         R
1:THR_10:CA        S
1:THR_10:CB        R
1:LYS+_11:CA       S
1:SER_12:CA        S
1:CYS_14:CA        R
1:SER_15:CA        S
1:VAL_16:CA        S
1:ASN_17:CA        S
1:TRP_18:CA        S
1:GLU_20:CA        S
1:ALA_21:CA        S
1:PHE_22:CA        S
1:SER_23:CA        S
1:ALA_24:CA        S
1:VAL_26:CA        S
1:HIS+_27:CA       S
1:ARG+_28:CA       S
1:LEU_29:CA        S
1:ALA_30:CA        S
1:ASN_31:CA        S
1:ASN_34:CA        S
1:PHE_36:CA        S
1:TRP_37:CA        S
!
#distance
1:GLY_19:O         1:SER_23:HN         1.800  2.200 10.00 10.00 1000.000
1:GLU_20:O         1:ALA_24:HN         1.800  2.200 10.00 10.00 1000.000
1:ALA_21:O         1:GLY_25:HN         1.800  2.200 10.00 10.00 1000.000
1:PHE_22:O         1:VAL_26:HN         1.800  2.200 10.00 10.00 1000.000
1:SER_23:O         1:HIS+_27:HN        1.800  2.200 10.00 10.00 1000.000
1:ALA_24:O         1:ARG+_28:HN        1.800  2.200 10.00 10.00 1000.000
1:GLY_25:O         1:LEU_29:HN         1.800  2.200 10.00 10.00 1000.000
1:VAL_26:O         1:ALA_30:HN         1.800  2.200 10.00 10.00 1000.000
!
#NOE_distance
1:LY+N_1:HA        1:TYR_2:HN         -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LY+N_1:HA        1:TYR_2:HB*        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HB*       1:TYR_2:HN         -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HG2       1:TYR_2:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HG1       1:TYR_2:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HN         1:TYR_3:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:TYR_3:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:TYR_3:HB1        -1.000  6.740  6.740 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:HIS+_8:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HB*        1:TYR_3:HN         -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:HIS+_8:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:GLY_4:HA2        -1.000  7.476  5.076 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:HIS+_8:HB*       -1.000  6.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:GLU_20:HB*       -1.000  8.400  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:CYS_9:HN         -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:HIS+_8:HA        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:HIS+_8:HA        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:TYR_3:HD*        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:CYS_9:HB*        -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:CYS_9:HB*        -1.000  5.500  2.500 10.00 10.00 1000.000  0.00
1:LY+N_1:HE*       1:TYR_3:HE*        -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:VAL_7:HB         -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HB*       1:TYR_3:HD*        -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HB*       1:TYR_3:HE*        -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:LY+N_1:HD*       1:TYR_3:HE*        -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HG2       1:TYR_3:HE*        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HG1       1:TYR_3:HD*        -1.000  8.762  6.762 10.00 10.00 1000.000  0.00
1:LY+N_1:HG1       1:TYR_3:HE*        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:VAL_7:HG*        -1.000  9.400  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:GLY_4:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:HIS+_8:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HA         1:GLY_4:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HB1        1:VAL_7:HB         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HB1        1:VAL_7:HG*        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HB2        1:VAL_7:HB         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HB2        1:VAL_7:HG*        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:GLY_4:HA1        1:ASN_5:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_4:HA2        1:ASN_5:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:GLY_6:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HA         1:GLY_6:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HA         1:ALA_24:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HA         1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HB1        1:VAL_7:HG*        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HB2        1:VAL_7:HG*        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:VAL_7:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:HIS+_8:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:HIS+_8:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_16:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_16:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:ASN_17:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HB         1:HIS+_8:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:HIS+_8:HN        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:VAL_16:HG2*      -1.000  6.700  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:VAL_16:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:VAL_16:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HA        1:CYS_9:HN         -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
!1:HIS+_8:HA        1:CYS_14:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HB*       1:SER_15:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:HIS+_8:HD2       -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:GLY_6:HN         -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:TYR_3:HN         -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:VAL_7:HN         -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:HIS+_8:HE1       -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:TYR_2:HB*        1:HIS+_8:HD2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HE1       1:VAL_16:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_6:HA2        1:HIS+_8:HE1       -1.000  6.776  6.776 10.00 10.00 1000.000  0.00
1:HIS+_8:HE1       1:ASN_17:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:HIS+_8:HE1       1:ASN_17:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_9:HN         1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:THR_10:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:THR_10:HG*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:SER_15:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:GLY_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_9:HB*        1:SER_15:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HB*        1:CYS_14:HA        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:THR_10:HN        1:CYS_14:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:LYS+_11:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_10:HB        1:LYS+_11:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_10:HG*       1:LYS+_11:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:SER_12:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_11:HA       1:SER_12:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HB*      1:SER_12:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HG*      1:SER_12:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
!1:THR_10:HG*       1:SER_12:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:GLY_13:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_12:HA        1:GLY_13:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_12:HB1       1:GLY_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HB2       1:GLY_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_13:HN        1:CYS_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_13:HA1       1:CYS_14:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_13:HA2       1:CYS_14:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:SER_15:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_14:HA        1:SER_15:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_14:HA        1:SER_15:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_14:HB*       1:SER_15:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:VAL_16:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_15:HB1       1:VAL_16:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HB2       1:VAL_16:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:ASN_17:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:ASN_17:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_16:HB        1:ASN_17:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:ASN_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:TRP_18:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HB1       1:TRP_18:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:GLU_20:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HB1       1:GLU_20:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HB1       1:GLU_20:HG*       -1.000  6.048  5.048 10.00 10.00 1000.000  0.00
1:ASN_17:HB2       1:TRP_18:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HB2       1:GLU_20:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:GLU_20:HG*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:GLY_19:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:VAL_16:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:GLY_19:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:ALA_21:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:VAL_16:HG2*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HB1       1:ALA_21:HB*       -1.000  7.749  6.749 10.00 10.00 1000.000  0.00
1:TRP_18:HB1       1:GLY_19:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HB2       1:GLY_19:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:VAL_16:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:GLY_19:HA*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:ALA_21:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ3       1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ3       1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HH2       1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ2       1:VAL_16:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ2       1:VAL_16:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ2       1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:GLU_20:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:GLY_19:HA*       1:GLU_20:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_19:HA*       1:PHE_22:HB*       -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ALA_21:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:PHE_22:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ASN_17:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ASN_17:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:ALA_21:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU_20:HG*       1:ALA_21:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HB*       1:ALA_21:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:PHE_22:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:PHE_22:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ALA_24:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_21:HB*       1:PHE_22:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:SER_23:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:ALA_24:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:PHE_22:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:SER_23:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB*       1:PHE_22:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB*       1:SER_23:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:SER_23:HN        -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:VAL_26:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HE*       1:VAL_26:HG2*      -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:ALA_24:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_19:HA*       1:SER_23:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HG2*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:SER_23:HB*       1:ALA_24:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:GLY_25:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ALA_24:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:GLY_25:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:VAL_26:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:GLY_25:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA1       1:VAL_26:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:VAL_26:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA1       1:ARG+_28:HB*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:ARG+_28:HB*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:ARG+_28:HG1      -1.000  6.776  6.776 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:ARG+_28:HG2      -1.000  6.776  6.776 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:HIS+_27:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HG        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HD*       -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HB        1:HIS+_27:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HG1*      1:HIS+_27:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HG2*      1:HIS+_27:HN       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:GLU_20:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_19:HA*       1:PHE_22:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:SER_23:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA1       1:ARG+_28:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:ARG+_28:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:ALA_30:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:ALA_21:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:VAL_26:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HB1      1:ARG+_28:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HB2      1:ARG+_28:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:ASN_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:VAL_26:HG2*      -1.000  6.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ASN_31:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ASN_31:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ASN_31:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:ALA_30:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:ALA_30:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_29:HB1       1:ALA_30:HN        -1.000  5.053  5.053 10.00 10.00 1000.000  0.00
1:LEU_29:HG        1:ALA_30:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:ASN_31:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_30:HA        1:ASN_31:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_30:HB*       1:ASN_31:HN        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HG1*      1:ALA_30:HB*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:GLY_32:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_31:HA        1:GLY_32:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HB2       1:GLY_32:HN        -1.000  6.748  6.748 10.00 10.00 1000.000  0.00
1:ALA_30:HB*       1:ASN_31:HB1       -1.000  7.748  6.748 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:GLY_33:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:ASN_34:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_33:HA1       1:ASN_34:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_33:HA2       1:ASN_34:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_34:HN        1:GLY_35:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_34:HA        1:GLY_35:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HB1       1:GLY_35:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HB2       1:GLY_35:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:PHE_36:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HA1       1:PHE_36:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HA2       1:PHE_36:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HN         1:TYR_2:HA         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HN         1:TYR_2:HB*        -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HA         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HB1        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HB2        1:TYR_3:HA         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_4:HN         1:GLY_4:HA1        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_4:HA2        1:GLY_4:HN         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ASN_5:HA         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HA         1:ASN_5:HB1        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HB2        1:ASN_5:HA         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:GLY_6:HA1        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:GLY_6:HA2        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:VAL_7:HA         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HB         1:VAL_7:HN         -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:VAL_7:HG*        -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_7:HB         -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:VAL_7:HA         -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_9:HB*        1:HIS+_8:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HB*        1:CYS_9:HA         -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:THR_10:HN        1:CYS_14:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_10:HN        1:THR_10:HG*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:THR_10:HB        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:LYS+_11:HB*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:THR_10:HG*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:SER_12:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:SER_12:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:SER_12:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:SER_12:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HA        1:SER_12:HB1       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:SER_12:HA        1:SER_12:HB2       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:CYS_14:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:CYS_14:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:SER_15:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:SER_15:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:SER_15:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:VAL_7:HA         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:SER_15:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:SER_15:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HG1*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:VAL_16:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_15:HA        1:VAL_16:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HB        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HG1*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HG2*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:ASN_17:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:ASN_17:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:TRP_18:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:TRP_18:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_5:HD22       1:ASN_5:HA         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HD21       1:ASN_5:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HD21       1:ASN_5:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HD22       1:ASN_5:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HD22       1:ASN_5:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:ASN_17:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:ASN_17:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:ASN_17:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:ASN_17:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HG*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:GLU_20:HG*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLU_20:HB*       1:ALA_21:HB*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ALA_21:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ALA_21:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:PHE_22:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:PHE_22:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:SER_23:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:SER_23:HB*       -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:PHE_22:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:ALA_24:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:GLY_25:HA2       -1.000  4.276  4.276 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HG2*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HB        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HG1*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HG2*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:HIS+_27:HN       1:HIS+_27:HB1      -1.000  4.264  4.264 10.00 10.00 1000.000  0.00
1:HIS+_27:HA       1:HIS+_27:HB1      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:HIS+_27:HA       1:HIS+_27:HB2      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ARG+_28:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_29:HA        1:LEU_29:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LEU_29:HA        1:LEU_29:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:LEU_29:HD*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:VAL_26:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HA        1:ASN_31:HN        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ASN_31:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ASN_31:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_31:HA        1:ASN_31:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_31:HA        1:ASN_31:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:GLY_32:HA1       -1.000  4.276  4.276 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:GLY_33:HA1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:GLY_33:HA2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_34:HA        1:ASN_34:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HA        1:ASN_34:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HD21      1:ASN_34:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HD21      1:ASN_34:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HD22      1:ASN_34:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HD22      1:ASN_34:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD21      1:ASN_31:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD21      1:ASN_31:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD22      1:ASN_31:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD22      1:ASN_31:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:GLY_35:HA1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:GLY_35:HA2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:PHE_36:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:PHE_36:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:PHE_36:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HA        1:PHE_36:HB1       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HA        1:PHE_36:HB2       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:TRP_37:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:TRP_37:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:TYR_2:HA         -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HA         -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:TYR_3:HA         -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HB1        -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HB2        -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:TYR_3:HB1        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:TYR_3:HB2        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HE1       1:HIS+_8:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HB1       -1.000  5.049  5.049 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:PHE_22:HA        -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:PHE_22:HB*       -1.000  5.500  2.500 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HE1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HE1      1:HIS+_27:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HA       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HB*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HG1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HG2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HA        -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HB1       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HB2       -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:TRP_37:HE3       1:TRP_37:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_37:HE3       1:TRP_37:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_37:HD1       1:TRP_37:HB1       -1.000  5.049  5.049 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:PHE_22:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD1,HD2,HE1,HE2 1:TYR_2:HN         -1.000  5.700  3.300 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HG*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ARG+_28:HG2      -1.000  5.061  5.061 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:GLY_32:HA1       -1.000  5.076  5.076 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HA        -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:PHE_22:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:GLU_20:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HE1      1:HIS+_27:HB2      -1.000  5.064  5.064 10.00 10.00 1000.000  0.00
#NOE_distance_overlapped
1:TYR_2:HD1,HD2,HE1,HE2	  1:GLY_6:HA2	 2.000  7.000  10.00  10.00  1000.00
+ 1:TYR_2:HD1,HD2,HE1,HE2  1:GLY_4:HA1
1:HIS+_8:HE1	1:VAL_7:HA		 2.000  5.000  10.00  10.00  1000.00
+ 1:HIS+_8:HE1	1:GLY_6:HA1
1:CYS_9:HN	1:CYS_9:HB*		 2.000  5.000  10.00  10.00  1000.00
+ 1:SER_10:HN	1:CYS_9:HB*
1:GLY_13:HN	1:LYS+_11:HA		 2.000  8.000  10.00  10.00  1000.00
+ 1:VAL_16:HN	1:LYS+_11:HA
1:TRP_18:HB2	1:ALA_21:HB*		 2.000  7.000  10.00  10.00  1000.00
+ 1:PHE_22:HB*	1:ALA_21:HB*
1:PHE_22:HD*	1:SER_23:HA 		 2.000  7.000  10.00  10.00  1000.00
+ 1:PHE_22:HD*	1:HIS+_27:HA
+ 1:HIS+_27:HE1	1:SER_23:HA
+ 1:HIS+_27:HE1	1:HIS+_27:HA
1:ARG+_28:HN	1:VAL_26:HG1*		 2.000  7.000  10.00  10.00  1000.00
+ 1:LEU_29:HN	1:VAL_26:HG1*
1:GLY_32:HN	1:ASN_31:HB1		 2.000  5.000  10.00  10.00  1000.00
+ 1:HIS+_27:HN	1:HIS+_27:HB2 
1:THR_10:HN	1:THR_10:HB		 2.000  5.000  10.00  10.00  1000.00
+ 1:ASN_17:HN	1:ASN_17:HA
1:GLY_13:HN	1:GLY_13:HA1		 2.000  5.000  10.00  10.00  1000.00
+ 1:VAL_16:HN	1:VAL_16:HA
1:GLY_13:HN	1:GLY_13:HA2		 2.000  5.000  10.00  10.00  1000.00
+ 1:GLY_13:HN	1:SER_12:HA
1:GLY_13:HN	1:CYS_14:HA		 2.000  7.000  10.00  10.00  1000.00
+ 1:VAL_16:HN	1:CYS_14:HA
1:ALA_24:HN	1:SER_23:HA		 2.000  4.000  10.00  10.00  1000.00
+ 1:ALA_24:HN	1:ALA_24:HA
1:GLY_25:HN	1:GLY_25:HA1		 2.000  3.300  10.00  10.00  1000.00
+ 1:GLY_32:HN	1:GLY_32:HA2
1:HIS+_27:HN	1:HIS+_27:HA		 2.000  4.000  10.00  10.00  1000.00
+ 1:HIS+_27:HN	1:ALA_24:HA
+ 1:GLY_25:HN	1:ALA_24:HA
1:HIS+_27:HB1	1:VAL_26:HG2*		 2.000  8.000  10.00  10.00  1000.00
+ 1:PHE_22:HB*	1:VAL_26:HG2*
1:ARG+_28:HN	1:VAL_26:HG2*		 2.000  8.000  10.00  10.00  1000.00
+ 1:LEU_29:HN	1:VAL_26:HG2*
1:TYR_2:HD1,HD2,HE1,HE2	  1:GLY_6:HA1	 2.000  7.000  10.00  10.00  1000.00
+ 1:TYR_2:HD1,HD2,HE1,HE2	1:VAL_7:HA
1:TRP_18:HD1	1:TRP_18:HB2		 2.000  5.000  10.00  10.00  1000.00
+ 1:TRP_18:HD1	1:PHE_22:HB*
+ 1:PHE_22:HE*	1:TRP_18:HB2
+ 1:PHE_22:HE*	1:PHE_22:HB*
1:TRP_18:HD1	1:PHE_22:HA		 2.000	8.000  10.00  10.00  1000.00
+ 1:PHE_22:HE*	1:PHE_22:HA
1:ARG+_28:HE	1:ARG+_28:HD1		 2.000  4.000  10.00  10.00  1000.00
+ 1:TRP_37:HD1	1:TRP_37:HB2
+ 1:ARG+_28:HE	1:ARG+_28:HD2
1:ARG+_28:HN	1:ARG+_28:HA		 2.000  3.500  10.00  10.00  1000.00
+ 1:LEU_29:HN	1:LEU_29:HA
+ 1:LEU_29:HN	1:ARG+_28:HA
!
#mixing_times
-9.990000E+02 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1   6.038   6.199   6.199
    2   2H    LYS   1          2H        LYS   1   4.519   6.729   6.729
    3   3H    LYS   1          3H        LYS   1   5.885   7.640   7.640
    4    HA   LYS   1           HA       LYS   1   6.295   8.079   8.079
    5   1HB   LYS   1          1HB       LYS   1   3.882   8.917   8.917
    6   2HB   LYS   1          2HB       LYS   1   3.583   9.024   9.024
    7   1HG   LYS   1          1HG       LYS   1   5.469  10.585  10.585
    8   2HG   LYS   1          2HG       LYS   1   6.136  10.229  10.229
    9   1HD   LYS   1          1HD       LYS   1   4.228  12.271  12.271
   10   2HD   LYS   1          2HD       LYS   1   5.035  12.097  12.097
   11   1HE   LYS   1          1HE       LYS   1   3.076   9.981   9.981
   12   2HE   LYS   1          2HE       LYS   1   2.228  11.375  11.375
   13   1HZ   LYS   1          2HZ       LYS   1   3.907  11.786  11.786
   14   2HZ   LYS   1          3HZ       LYS   1   2.389  11.082  11.082
   15   3HZ   LYS   1          1HZ       LYS   1   2.534  12.617  12.617
   16    H    TYR   2           H        TYR   2   6.569   6.085   6.085
   17    HA   TYR   2           HA       TYR   2   4.165   4.732   4.732
   18   1HB   TYR   2          1HB       TYR   2   6.594   3.707   3.707
   19   2HB   TYR   2          2HB       TYR   2   7.084   4.509   4.509
   20    HD1  TYR   2           HD2      TYR   2   4.290   2.207   2.207
   21    HD2  TYR   2           HD1      TYR   2   7.071   3.290   3.290
   22    HE1  TYR   2           HE2      TYR   2   3.531   0.301   0.301
   23    HE2  TYR   2           HE1      TYR   2   6.295   1.375   1.375
   24    HH   TYR   2           HH       TYR   2   4.804  -1.147  -1.147
   25    H    TYR   3           H        TYR   3   4.103   4.320   4.320
   26    HA   TYR   3           HA       TYR   3   4.724   6.839   6.839
   27   1HB   TYR   3          1HB       TYR   3   1.856   5.735   5.735
   28   2HB   TYR   3          2HB       TYR   3   2.225   6.930   6.930
   29    HD1  TYR   3           HD2      TYR   3   3.948   8.899   8.899
   30    HD2  TYR   3           HD1      TYR   3   0.646   6.778   6.778
   31    HE1  TYR   3           HE2      TYR   3   3.586  10.755  10.755
   32    HE2  TYR   3           HE1      TYR   3   0.291   8.651   8.651
   33    HH   TYR   3           HH       TYR   3   0.760  11.001  11.001
   34    H    GLY   4           H        GLY   4   3.320   6.480   6.480
   35   1HA   GLY   4          2HA       GLY   4   4.635   4.347   4.347
   36   2HA   GLY   4          1HA       GLY   4   3.128   5.118   5.118
   37    H    ASN   5           H        ASN   5   2.893   3.037   3.037
   38    HA   ASN   5           HA       ASN   5   2.766   0.546   0.546
   39   1HB   ASN   5          2HB       ASN   5   0.940   1.593   1.593
   40   2HB   ASN   5          1HB       ASN   5   0.970  -0.083  -0.083
   41   1HD2  ASN   5          1HD2      ASN   5   4.245  -0.590  -0.590
   42   2HD2  ASN   5          2HD2      ASN   5   3.294  -1.078  -1.078
   43    H    GLY   6           H        GLY   6   1.792  -0.312  -0.312
   44   1HA   GLY   6          2HA       GLY   6   0.079  -0.780  -0.780
   45   2HA   GLY   6          1HA       GLY   6  -1.031  -0.658  -0.658
   46    H    VAL   7           H        VAL   7   0.937   1.977   1.977
   47    HA   VAL   7           HA       VAL   7  -1.674   3.101   3.101
   48    HB   VAL   7           HB       VAL   7   0.500   4.394   4.394
   49   1HG1  VAL   7          1HG1      VAL   7  -1.423   6.123   6.123
   50   2HG1  VAL   7          2HG1      VAL   7  -0.375   6.725   6.725
   51   3HG1  VAL   7          3HG1      VAL   7   0.350   6.065   6.065
   52   1HG2  VAL   7          2HG2      VAL   7  -1.610   3.615   3.615
   53   2HG2  VAL   7          3HG2      VAL   7  -1.373   5.359   5.359
   54   3HG2  VAL   7          1HG2      VAL   7  -2.579   4.728   4.728
   55    H    HIS   8           H        HIS   8  -1.680   3.567   3.567
   56    HA   HIS   8           HA       HIS   8   0.879   4.475   4.475
   57   1HB   HIS   8          1HB       HIS   8  -0.707   2.172   2.172
   58   2HB   HIS   8          2HB       HIS   8   1.008   2.547   2.547
   59    HD1  HIS   8           HD1      HIS   8  -1.279   1.251   1.251
   60    HD2  HIS   8           HD2      HIS   8   2.536   0.943   0.943
   61    HE1  HIS   8           HE1      HIS   8   0.082  -0.541  -0.541
   62    HE2  HIS   8           HE2      HIS   8   2.441  -0.834  -0.834
   63    H    CYS   9           H        CYS   9   0.122   6.350   6.350
   64    HA   CYS   9           HA       CYS   9  -2.342   6.461   6.461
   65   1HB   CYS   9          1HB       CYS   9  -0.725   8.849   8.849
   66   2HB   CYS   9          2HB       CYS   9  -2.386   8.869   8.869
   67    H    THR  10           H        THR  10  -2.151   6.425   6.425
   68    HA   THR  10           HA       THR  10  -0.165   8.162   8.162
   69    HB   THR  10           HB       THR  10   0.592   5.536   5.536
   70    HG1  THR  10           HG1      THR  10   1.623   4.742   4.742
   71   1HG2  THR  10          3HG2      THR  10   2.323   7.527   7.527
   72   2HG2  THR  10          1HG2      THR  10   2.939   6.163   6.163
   73   3HG2  THR  10          2HG2      THR  10   2.161   7.524   7.524
   74    H    LYS  11           H        LYS  11  -2.582   8.470   8.470
   75    HA   LYS  11           HA       LYS  11  -2.736   8.128   8.128
   76   1HB   LYS  11          1HB       LYS  11  -3.912   6.175   6.175
   77   2HB   LYS  11          2HB       LYS  11  -3.512   5.804   5.804
   78   1HG   LYS  11          1HG       LYS  11  -5.706   6.252   6.252
   79   2HG   LYS  11          2HG       LYS  11  -5.970   7.567   7.567
   80   1HD   LYS  11          1HD       LYS  11  -7.404   5.461   5.461
   81   2HD   LYS  11          2HD       LYS  11  -6.554   5.987   5.987
   82   1HE   LYS  11          1HE       LYS  11  -4.829   4.188   4.188
   83   2HE   LYS  11          2HE       LYS  11  -6.345   3.386   3.386
   84   1HZ   LYS  11          1HZ       LYS  11  -5.799   4.494   4.494
   85   2HZ   LYS  11          2HZ       LYS  11  -4.225   4.394   4.394
   86   3HZ   LYS  11          3HZ       LYS  11  -5.164   3.005   3.005
   87    H    SER  12           H        SER  12  -2.828  10.097  10.097
   88    HA   SER  12           HA       SER  12  -4.106  11.946  11.946
   89   1HB   SER  12          2HB       SER  12  -5.469  13.127  13.127
   90   2HB   SER  12          1HB       SER  12  -4.313  12.256  12.256
   91    HG   SER  12           HG       SER  12  -6.688  12.250  12.250
   92    H    GLY  13           H        GLY  13  -4.463   9.980   9.980
   93   1HA   GLY  13          2HA       GLY  13  -6.820  10.059  10.059
   94   2HA   GLY  13          1HA       GLY  13  -7.366   9.048   9.048
   95    H    CYS  14           H        CYS  14  -6.456   8.829   8.829
   96    HA   CYS  14           HA       CYS  14  -4.092   7.058   7.058
   97   1HB   CYS  14          1HB       CYS  14  -6.235   7.681   7.681
   98   2HB   CYS  14          2HB       CYS  14  -4.956   6.502   6.502
   99    H    SER  15           H        SER  15  -4.126   4.943   4.943
  100    HA   SER  15           HA       SER  15  -6.565   3.270   3.270
  101   1HB   SER  15          1HB       SER  15  -4.854   3.461   3.461
  102   2HB   SER  15          2HB       SER  15  -4.131   2.082   2.082
  103    HG   SER  15           HG       SER  15  -6.599   2.351   2.351
  104    H    VAL  16           H        VAL  16  -5.613   3.958   3.958
  105    HA   VAL  16           HA       VAL  16  -3.388   2.501   2.501
  106    HB   VAL  16           HB       VAL  16  -6.049   3.457   3.457
  107   1HG1  VAL  16          2HG2      VAL  16  -3.672   2.259   2.259
  108   2HG1  VAL  16          3HG2      VAL  16  -4.958   3.221   3.221
  109   3HG1  VAL  16          1HG2      VAL  16  -5.347   1.659   1.659
  110   1HG2  VAL  16          1HG1      VAL  16  -4.515   5.365   5.365
  111   2HG2  VAL  16          2HG1      VAL  16  -4.677   5.215   5.215
  112   3HG2  VAL  16          3HG1      VAL  16  -3.215   4.648   4.648
  113    H    ASN  17           H        ASN  17  -2.883   0.564   0.564
  114    HA   ASN  17           HA       ASN  17  -4.915  -1.623  -1.623
  115   1HB   ASN  17          1HB       ASN  17  -1.982  -1.355  -1.355
  116   2HB   ASN  17          2HB       ASN  17  -2.380  -2.554  -2.554
  117   1HD2  ASN  17          1HD2      ASN  17  -2.003  -4.457  -4.457
  118   2HD2  ASN  17          2HD2      ASN  17  -0.955  -3.545  -3.545
  119    H    TRP  18           H        TRP  18  -6.398  -1.367  -1.367
  120    HA   TRP  18           HA       TRP  18  -5.910  -0.610  -0.610
  121   1HB   TRP  18          1HB       TRP  18  -8.213  -1.930  -1.930
  122   2HB   TRP  18          2HB       TRP  18  -8.322  -1.951  -1.951
  123    HD1  TRP  18           HD1      TRP  18  -9.327   0.178   0.178
  124    HE1  TRP  18           HE1      TRP  18  -9.828   2.710   2.710
  125    HE3  TRP  18           HE3      TRP  18  -7.107   0.038   0.038
  126    HZ2  TRP  18           HZ2      TRP  18  -9.219   4.275   4.275
  127    HZ3  TRP  18           HZ3      TRP  18  -7.006   2.113   2.113
  128    HH2  TRP  18           HH2      TRP  18  -8.160   4.163   4.163
  129    H    GLY  19           H        GLY  19  -5.260  -3.606  -3.606
  130   1HA   GLY  19          1HA       GLY  19  -5.755  -5.241  -5.241
  131   2HA   GLY  19          2HA       GLY  19  -4.952  -5.797  -5.797
  132    H    GLU  20           H        GLU  20  -2.903  -4.167  -4.167
  133    HA   GLU  20           HA       GLU  20  -0.988  -5.092  -5.092
  134   1HB   GLU  20          1HB       GLU  20  -0.996  -3.373  -3.373
  135   2HB   GLU  20          2HB       GLU  20   0.233  -2.898  -2.898
  136   1HG   GLU  20          1HG       GLU  20   0.760  -4.691  -4.691
  137   2HG   GLU  20          2HG       GLU  20   1.558  -4.811  -4.811
  138    HE1  GLU  20           HE2      GLU  20   0.079  -7.807  -7.807
  139    H    ALA  21           H        ALA  21  -3.037  -2.386  -2.386
  140    HA   ALA  21           HA       ALA  21  -1.312  -0.755  -0.755
  141   1HB   ALA  21          2HB       ALA  21  -2.470   0.376   0.376
  142   2HB   ALA  21          3HB       ALA  21  -4.057  -0.158  -0.158
  143   3HB   ALA  21          1HB       ALA  21  -3.094   1.018   1.018
  144    H    PHE  22           H        PHE  22  -4.230  -2.675  -2.675
  145    HA   PHE  22           HA       PHE  22  -5.083  -1.903  -1.903
  146   1HB   PHE  22          1HB       PHE  22  -6.672  -2.998  -2.998
  147   2HB   PHE  22          2HB       PHE  22  -5.647  -4.398  -4.398
  148    HD1  PHE  22           HD2      PHE  22  -5.246  -5.790  -5.790
  149    HD2  PHE  22           HD1      PHE  22  -8.452  -2.990  -2.990
  150    HE1  PHE  22           HE2      PHE  22  -6.580  -6.942  -6.942
  151    HE2  PHE  22           HE1      PHE  22  -9.772  -4.138  -4.138
  152    HZ   PHE  22           HZ       PHE  22  -8.841  -6.113  -6.113
  153    H    SER  23           H        SER  23  -3.141  -4.497  -4.497
  154    HA   SER  23           HA       SER  23  -2.572  -5.672  -5.672
  155   1HB   SER  23          1HB       SER  23  -0.655  -6.865  -6.865
  156   2HB   SER  23          2HB       SER  23  -2.324  -7.316  -7.316
  157    HG   SER  23           HG       SER  23  -1.734  -6.864  -6.864
  158    H    ALA  24           H        ALA  24  -1.093  -3.324  -3.324
  159    HA   ALA  24           HA       ALA  24   1.390  -3.065  -3.065
  160   1HB   ALA  24          2HB       ALA  24   1.106  -2.175  -2.175
  161   2HB   ALA  24          3HB       ALA  24  -0.108  -1.003  -1.003
  162   3HB   ALA  24          1HB       ALA  24   1.587  -0.861  -0.861
  163    H    GLY  25           H        GLY  25  -1.796  -1.590  -1.590
  164   1HA   GLY  25          2HA       GLY  25  -0.982   0.327   0.327
  165   2HA   GLY  25          1HA       GLY  25  -2.655  -0.079  -0.079
  166    H    VAL  26           H        VAL  26  -2.372  -2.905  -2.905
  167    HA   VAL  26           HA       VAL  26  -2.789  -3.179  -3.179
  168    HB   VAL  26           HB       VAL  26  -2.170  -5.296  -5.296
  169   1HG1  VAL  26          1HG1      VAL  26  -3.467  -5.847  -5.847
  170   2HG1  VAL  26          2HG1      VAL  26  -3.316  -7.025  -7.025
  171   3HG1  VAL  26          3HG1      VAL  26  -1.870  -6.414  -6.414
  172   1HG2  VAL  26          2HG2      VAL  26  -4.305  -4.047  -4.047
  173   2HG2  VAL  26          3HG2      VAL  26  -4.612  -5.749  -5.749
  174   3HG2  VAL  26          1HG2      VAL  26  -4.970  -4.504  -4.504
  175    H    HIS  27           H        HIS  27  -0.296  -4.411  -4.411
  176    HA   HIS  27           HA       HIS  27   1.634  -5.220  -5.220
  177   1HB   HIS  27          2HB       HIS  27   1.792  -3.773  -3.773
  178   2HB   HIS  27          1HB       HIS  27   3.312  -4.132  -4.132
  179    HD1  HIS  27           HD1      HIS  27   0.239  -6.625  -6.625
  180    HD2  HIS  27           HD2      HIS  27   4.227  -5.885  -5.885
  181    HE1  HIS  27           HE1      HIS  27   1.076  -8.683  -8.683
  182    HE2  HIS  27           HE2      HIS  27   3.505  -8.366  -8.366
  183    H    ARG  28           H        ARG  28   0.960  -1.926  -1.926
  184    HA   ARG  28           HA       ARG  28   3.093  -0.760  -0.760
  185   1HB   ARG  28          1HB       ARG  28   1.110   0.163   0.163
  186   2HB   ARG  28          2HB       ARG  28   0.785   1.046   1.046
  187   1HG   ARG  28          2HG       ARG  28   3.068   2.011   2.011
  188   2HG   ARG  28          1HG       ARG  28   3.645   0.895   0.895
  189   1HD   ARG  28          1HD       ARG  28   1.551   2.053   2.053
  190   2HD   ARG  28          2HD       ARG  28   2.006   3.402   3.402
  191    HE   ARG  28           HE       ARG  28   4.211   1.904   1.904
  192   1HH1  ARG  28          2HH1      ARG  28   2.376   4.843   4.843
  193   2HH1  ARG  28          1HH1      ARG  28   3.588   5.785   5.785
  194   1HH2  ARG  28          1HH2      ARG  28   5.473   2.989   2.989
  195   2HH2  ARG  28          2HH2      ARG  28   5.272   4.784   4.784
  196    H    LEU  29           H        LEU  29  -0.378  -1.321  -1.321
  197    HA   LEU  29           HA       LEU  29  -0.643  -0.248  -0.248
  198   1HB   LEU  29          2HB       LEU  29  -2.766  -0.947  -0.947
  199   2HB   LEU  29          1HB       LEU  29  -2.223  -1.858  -1.858
  200    HG   LEU  29           HG       LEU  29  -1.821  -3.877  -3.877
  201   1HD1  LEU  29          2HD1      LEU  29  -1.457  -2.679  -2.679
  202   2HD1  LEU  29          3HD1      LEU  29  -3.159  -2.155  -2.155
  203   3HD1  LEU  29          1HD1      LEU  29  -2.751  -3.883  -3.883
  204   1HD2  LEU  29          2HD2      LEU  29  -4.688  -2.698  -2.698
  205   2HD2  LEU  29          3HD2      LEU  29  -3.976  -3.717  -3.717
  206   3HD2  LEU  29          1HD2      LEU  29  -4.278  -4.406  -4.406
  207    H    ALA  30           H        ALA  30   0.761  -3.236  -3.236
  208    HA   ALA  30           HA       ALA  30   1.770  -3.598  -3.598
  209   1HB   ALA  30          2HB       ALA  30  -0.177  -5.171  -5.171
  210   2HB   ALA  30          3HB       ALA  30   0.600  -5.833  -5.833
  211   3HB   ALA  30          1HB       ALA  30   1.330  -6.096  -6.096
  212    H    ASN  31           H        ASN  31   3.226  -2.279  -2.279
  213    HA   ASN  31           HA       ASN  31   4.911  -3.604  -3.604
  214   1HB   ASN  31          2HB       ASN  31   5.736  -1.439  -1.439
  215   2HB   ASN  31          1HB       ASN  31   4.871  -1.072  -1.072
  216   1HD2  ASN  31          1HD2      ASN  31   7.872  -0.613  -0.613
  217   2HD2  ASN  31          2HD2      ASN  31   6.065  -0.267  -0.267
  218    H    GLY  32           H        GLY  32   5.376  -3.293  -3.293
  219   1HA   GLY  32          1HA       GLY  32   6.869  -5.897  -5.897
  220   2HA   GLY  32          2HA       GLY  32   7.962  -4.512  -4.512
  221    H    GLY  33           H        GLY  33   7.941  -3.300  -3.300
  222   1HA   GLY  33          1HA       GLY  33   7.413  -2.800  -2.800
  223   2HA   GLY  33          2HA       GLY  33   5.907  -3.730  -3.730
  224    H    ASN  34           H        ASN  34   8.776  -5.299  -5.299
  225    HA   ASN  34           HA       ASN  34   9.551  -7.433  -7.433
  226   1HB   ASN  34          2HB       ASN  34  10.992  -6.008  -6.008
  227   2HB   ASN  34          1HB       ASN  34   9.679  -5.545  -5.545
  228   1HD2  ASN  34          1HD2      ASN  34  10.793  -7.886  -7.886
  229   2HD2  ASN  34          2HD2      ASN  34  10.060  -6.231  -6.231
  230    H    GLY  35           H        GLY  35   7.220  -7.861  -7.861
  231   1HA   GLY  35          1HA       GLY  35   6.159  -9.653  -9.653
  232   2HA   GLY  35          2HA       GLY  35   5.117  -8.259  -8.259
  233    H    PHE  36           H        PHE  36   3.503  -9.588  -9.588
  234    HA   PHE  36           HA       PHE  36   3.930 -10.741 -10.741
  235   1HB   PHE  36          1HB       PHE  36   3.700 -12.422 -12.422
  236   2HB   PHE  36          2HB       PHE  36   2.002 -12.120 -12.120
  237    HD1  PHE  36           HD2      PHE  36   5.032 -13.637 -13.637
  238    HD2  PHE  36           HD1      PHE  36   0.769 -13.146 -13.146
  239    HE1  PHE  36           HE2      PHE  36   4.899 -15.478 -15.478
  240    HE2  PHE  36           HE1      PHE  36   0.646 -14.970 -14.970
  241    HZ   PHE  36           HZ       PHE  36   2.708 -16.141 -16.141
  242    H    TRP  37           H        TRP  37   2.870  -8.221  -8.221
  243    HA   TRP  37           HA       TRP  37   0.377  -8.118  -8.118
  244   1HB   TRP  37          2HB       TRP  37  -1.360  -8.196  -8.196
  245   2HB   TRP  37          1HB       TRP  37  -0.302  -9.468  -9.468
  246    HD1  TRP  37           HD1      TRP  37   1.537  -8.566  -8.566
  247    HE1  TRP  37           HE1      TRP  37   0.994  -7.093  -7.093
  248    HE3  TRP  37           HE3      TRP  37  -2.711  -6.434  -6.434
  249    HZ2  TRP  37           HZ2      TRP  37  -1.083  -5.247  -5.247
  250    HZ3  TRP  37           HZ3      TRP  37  -3.946  -4.810  -4.810
  251    HH2  TRP  37           HH2      TRP  37  -3.186  -4.278  -4.278
  252    HXT  TRP  37           HXT      TRP  37   2.050  -5.167  -5.167

  Start of MODEL    2
    1   1H    LYS   1          3H        LYS   1   6.607   2.145   2.145
    2   2H    LYS   1          1H        LYS   1   8.285   2.066   2.066
    3   3H    LYS   1          2H        LYS   1   7.352   1.001   1.001
    4    HA   LYS   1           HA       LYS   1   7.996   2.477   2.477
    5   1HB   LYS   1          1HB       LYS   1   8.305   4.862   4.862
    6   2HB   LYS   1          2HB       LYS   1   9.039   4.034   4.034
    7   1HG   LYS   1          1HG       LYS   1   6.125   5.084   5.084
    8   2HG   LYS   1          2HG       LYS   1   7.500   6.124   6.124
    9   1HD   LYS   1          1HD       LYS   1   8.107   4.144   4.144
   10   2HD   LYS   1          2HD       LYS   1   6.409   3.686   3.686
   11   1HE   LYS   1          1HE       LYS   1   6.032   5.263   5.263
   12   2HE   LYS   1          2HE       LYS   1   6.024   6.401   6.401
   13   1HZ   LYS   1          1HZ       LYS   1   8.639   6.237   6.237
   14   2HZ   LYS   1          2HZ       LYS   1   8.085   5.942   5.942
   15   3HZ   LYS   1          3HZ       LYS   1   7.640   7.354   7.354
   16    H    TYR   2           H        TYR   2   6.744   3.048   3.048
   17    HA   TYR   2           HA       TYR   2   3.776   3.140   3.140
   18   1HB   TYR   2          1HB       TYR   2   5.192   3.603   3.603
   19   2HB   TYR   2          2HB       TYR   2   3.512   3.210   3.210
   20    HD1  TYR   2           HD1      TYR   2   4.081   0.942   0.942
   21    HD2  TYR   2           HD2      TYR   2   5.609   1.761   1.761
   22    HE1  TYR   2           HE1      TYR   2   4.569  -1.456  -1.456
   23    HE2  TYR   2           HE2      TYR   2   6.084  -0.629  -0.629
   24    HH   TYR   2           HH       TYR   2   6.371  -2.753  -2.753
   25    H    TYR   3           H        TYR   3   2.382   4.702   4.702
   26    HA   TYR   3           HA       TYR   3   3.693   7.457   7.457
   27   1HB   TYR   3          1HB       TYR   3   1.066   6.699   6.699
   28   2HB   TYR   3          2HB       TYR   3   1.407   8.337   8.337
   29    HD1  TYR   3           HD1      TYR   3   4.145   6.133   6.133
   30    HD2  TYR   3           HD2      TYR   3   1.317   9.235   9.235
   31    HE1  TYR   3           HE1      TYR   3   5.325   6.589   6.589
   32    HE2  TYR   3           HE2      TYR   3   2.509   9.689   9.689
   33    HH   TYR   3           HH       TYR   3   4.573   9.355   9.355
   34    H    GLY   4           H        GLY   4   3.110   5.552   5.552
   35   1HA   GLY   4          2HA       GLY   4   2.293   6.615   6.615
   36   2HA   GLY   4          1HA       GLY   4   0.734   6.904   6.904
   37    H    ASN   5           H        ASN   5  -0.716   5.584   5.584
   38    HA   ASN   5           HA       ASN   5   0.068   2.891   2.891
   39   1HB   ASN   5          1HB       ASN   5  -2.646   2.741   2.741
   40   2HB   ASN   5          2HB       ASN   5  -1.777   3.660   3.660
   41   1HD2  ASN   5          1HD2      ASN   5  -4.334   5.577   5.577
   42   2HD2  ASN   5          2HD2      ASN   5  -3.921   3.799   3.799
   43    H    GLY   6           H        GLY   6   0.973   1.853   1.853
   44   1HA   GLY   6          2HA       GLY   6   1.069   0.630   0.630
   45   2HA   GLY   6          1HA       GLY   6  -0.512   0.014   0.014
   46    H    VAL   7           H        VAL   7   0.526   3.273   3.273
   47    HA   VAL   7           HA       VAL   7  -1.571   3.047   3.047
   48    HB   VAL   7           HB       VAL   7   0.004   5.468   5.468
   49   1HG1  VAL   7          1HG1      VAL   7  -2.312   5.616   5.616
   50   2HG1  VAL   7          2HG1      VAL   7  -1.558   7.006   7.006
   51   3HG1  VAL   7          3HG1      VAL   7  -0.611   6.046   6.046
   52   1HG2  VAL   7          2HG2      VAL   7  -1.778   4.652   4.652
   53   2HG2  VAL   7          3HG2      VAL   7  -2.120   6.276   6.276
   54   3HG2  VAL   7          1HG2      VAL   7  -3.020   4.881   4.881
   55    H    HIS   8           H        HIS   8  -0.477   1.667   1.667
   56    HA   HIS   8           HA       HIS   8   2.243   2.613   2.613
   57   1HB   HIS   8          1HB       HIS   8   0.741   0.069   0.069
   58   2HB   HIS   8          2HB       HIS   8   2.474   0.253   0.253
   59    HD1  HIS   8           HD1      HIS   8  -0.840  -0.291  -0.291
   60    HD2  HIS   8           HD2      HIS   8   3.461  -0.357  -0.357
   61    HE1  HIS   8           HE1      HIS   8  -0.127  -1.361  -1.361
   62    HE2  HIS   8           HE2      HIS   8   2.482  -1.464  -1.464
   63    H    CYS   9           H        CYS   9   2.379   3.960   3.960
   64    HA   CYS   9           HA       CYS   9   0.328   3.934   3.934
   65   1HB   CYS   9          1HB       CYS   9   2.584   5.870   5.870
   66   2HB   CYS   9          2HB       CYS   9   1.734   6.062   6.062
   67    H    THR  10           H        THR  10   0.668   3.490   3.490
   68    HA   THR  10           HA       THR  10   3.428   2.334   2.334
   69    HB   THR  10           HB       THR  10   1.034   0.900   0.900
   70    HG1  THR  10           HG1      THR  10   0.783  -0.322  -0.322
   71   1HG2  THR  10          3HG2      THR  10   3.607  -0.219  -0.219
   72   2HG2  THR  10          1HG2      THR  10   2.359  -1.190  -1.190
   73   3HG2  THR  10          2HG2      THR  10   3.343  -0.065  -0.065
   74    H    LYS  11           H        LYS  11   3.295   1.561   1.561
   75    HA   LYS  11           HA       LYS  11   3.030   4.026   4.026
   76   1HB   LYS  11          1HB       LYS  11   4.395   2.692   2.692
   77   2HB   LYS  11          2HB       LYS  11   3.939   1.252   1.252
   78   1HG   LYS  11          1HG       LYS  11   2.497   0.528   0.528
   79   2HG   LYS  11          2HG       LYS  11   1.753   2.116   2.116
   80   1HD   LYS  11          1HD       LYS  11   3.223   2.715   2.715
   81   2HD   LYS  11          2HD       LYS  11   4.570   1.758   1.758
   82   1HE   LYS  11          1HE       LYS  11   2.111   0.158   0.158
   83   2HE   LYS  11          2HE       LYS  11   3.008   0.895   0.895
   84   1HZ   LYS  11          3HZ       LYS  11   5.064  -0.036  -0.036
   85   2HZ   LYS  11          1HZ       LYS  11   3.954  -1.065  -1.065
   86   3HZ   LYS  11          2HZ       LYS  11   4.121  -1.061  -1.061
   87    H    SER  12           H        SER  12   0.838   1.436   1.436
   88    HA   SER  12           HA       SER  12  -1.035   2.299   2.299
   89   1HB   SER  12          1HB       SER  12  -2.470   0.396   0.396
   90   2HB   SER  12          2HB       SER  12  -0.825  -0.151  -0.151
   91    HG   SER  12           HG       SER  12  -0.567   0.252   0.252
   92    H    GLY  13           H        GLY  13  -0.422   3.306   3.306
   93   1HA   GLY  13          1HA       GLY  13  -1.960   5.480   5.480
   94   2HA   GLY  13          2HA       GLY  13  -3.316   4.335   4.335
   95    H    CYS  14           H        CYS  14  -2.921   5.987   5.987
   96    HA   CYS  14           HA       CYS  14  -1.510   4.476   4.476
   97   1HB   CYS  14          1HB       CYS  14  -3.273   7.009   7.009
   98   2HB   CYS  14          2HB       CYS  14  -2.713   6.338   6.338
   99    H    SER  15           H        SER  15  -2.219   3.187   3.187
  100    HA   SER  15           HA       SER  15  -5.177   2.909   2.909
  101   1HB   SER  15          1HB       SER  15  -5.076   1.399   1.399
  102   2HB   SER  15          2HB       SER  15  -3.572   0.658   0.658
  103    HG   SER  15           HG       SER  15  -5.902  -0.271  -0.271
  104    H    VAL  16           H        VAL  16  -5.702   2.317   2.317
  105    HA   VAL  16           HA       VAL  16  -3.329   1.916   1.916
  106    HB   VAL  16           HB       VAL  16  -6.242   2.860   2.860
  107   1HG1  VAL  16          2HG2      VAL  16  -4.158   2.359   2.359
  108   2HG1  VAL  16          3HG2      VAL  16  -5.629   3.313   3.313
  109   3HG1  VAL  16          1HG2      VAL  16  -5.748   1.578   1.578
  110   1HG2  VAL  16          1HG1      VAL  16  -4.753   4.737   4.737
  111   2HG2  VAL  16          2HG1      VAL  16  -5.259   4.997   4.997
  112   3HG2  VAL  16          3HG1      VAL  16  -3.634   4.431   4.431
  113    H    ASN  17           H        ASN  17  -2.787  -0.009  -0.009
  114    HA   ASN  17           HA       ASN  17  -4.712  -2.262  -2.262
  115   1HB   ASN  17          1HB       ASN  17  -1.987  -2.157  -2.157
  116   2HB   ASN  17          2HB       ASN  17  -2.036  -2.341  -2.341
  117   1HD2  ASN  17          1HD2      ASN  17  -1.779  -5.736  -5.736
  118   2HD2  ASN  17          2HD2      ASN  17  -0.752  -4.200  -4.200
  119    H    TRP  18           H        TRP  18  -6.387  -1.889  -1.889
  120    HA   TRP  18           HA       TRP  18  -6.118  -0.850  -0.850
  121   1HB   TRP  18          2HB       TRP  18  -8.362  -2.015  -2.015
  122   2HB   TRP  18          1HB       TRP  18  -8.670  -1.908  -1.908
  123    HD1  TRP  18           HD1      TRP  18  -9.064   0.038   0.038
  124    HE1  TRP  18           HE1      TRP  18  -9.421   2.652   2.652
  125    HE3  TRP  18           HE3      TRP  18  -7.468   0.156   0.156
  126    HZ2  TRP  18           HZ2      TRP  18  -9.003   4.367   4.367
  127    HZ3  TRP  18           HZ3      TRP  18  -7.304   2.340   2.340
  128    HH2  TRP  18           HH2      TRP  18  -8.079   4.412   4.412
  129    H    GLY  19           H        GLY  19  -5.272  -3.843  -3.843
  130   1HA   GLY  19          1HA       GLY  19  -6.085  -5.174  -5.174
  131   2HA   GLY  19          2HA       GLY  19  -5.409  -6.009  -6.009
  132    H    GLU  20           H        GLU  20  -3.198  -4.791  -4.791
  133    HA   GLU  20           HA       GLU  20  -1.311  -5.445  -5.445
  134   1HB   GLU  20          1HB       GLU  20  -1.170  -3.909  -3.909
  135   2HB   GLU  20          2HB       GLU  20   0.224  -3.871  -3.871
  136   1HG   GLU  20          1HG       GLU  20  -0.950  -6.607  -6.607
  137   2HG   GLU  20          2HG       GLU  20  -0.034  -5.728  -5.728
  138    HE2  GLU  20           HE2      GLU  20   2.885  -6.942  -6.942
  139    H    ALA  21           H        ALA  21  -3.234  -2.701  -2.701
  140    HA   ALA  21           HA       ALA  21  -1.346  -0.882  -0.882
  141   1HB   ALA  21          2HB       ALA  21  -2.728   0.018   0.018
  142   2HB   ALA  21          3HB       ALA  21  -4.230  -0.443  -0.443
  143   3HB   ALA  21          1HB       ALA  21  -3.185   0.831   0.831
  144    H    PHE  22           H        PHE  22  -4.446  -2.530  -2.530
  145    HA   PHE  22           HA       PHE  22  -4.874  -1.640  -1.640
  146   1HB   PHE  22          1HB       PHE  22  -6.728  -2.841  -2.841
  147   2HB   PHE  22          2HB       PHE  22  -5.716  -4.082  -4.082
  148    HD1  PHE  22           HD1      PHE  22  -4.568  -5.765  -5.765
  149    HD2  PHE  22           HD2      PHE  22  -7.913  -3.283  -3.283
  150    HE1  PHE  22           HE1      PHE  22  -5.154  -7.325  -7.325
  151    HE2  PHE  22           HE2      PHE  22  -8.490  -4.848  -4.848
  152    HZ   PHE  22           HZ       PHE  22  -7.112  -6.869  -6.869
  153    H    SER  23           H        SER  23  -3.179  -4.427  -4.427
  154    HA   SER  23           HA       SER  23  -2.304  -5.500  -5.500
  155   1HB   SER  23          1HB       SER  23  -1.832  -7.132  -7.132
  156   2HB   SER  23          2HB       SER  23  -1.660  -6.003  -6.003
  157    HG   SER  23           HG       SER  23   0.236  -7.201  -7.201
  158    H    ALA  24           H        ALA  24  -0.795  -3.242  -3.242
  159    HA   ALA  24           HA       ALA  24   1.611  -2.704  -2.704
  160   1HB   ALA  24          2HB       ALA  24   1.026  -1.691  -1.691
  161   2HB   ALA  24          3HB       ALA  24  -0.232  -0.685  -0.685
  162   3HB   ALA  24          1HB       ALA  24   1.485  -0.413  -0.413
  163    H    GLY  25           H        GLY  25  -1.598  -1.293  -1.293
  164   1HA   GLY  25          2HA       GLY  25  -0.807   0.446   0.446
  165   2HA   GLY  25          1HA       GLY  25  -2.471  -0.063  -0.063
  166    H    VAL  26           H        VAL  26  -2.278  -2.774  -2.774
  167    HA   VAL  26           HA       VAL  26  -2.541  -3.114  -3.114
  168    HB   VAL  26           HB       VAL  26  -3.077  -4.637  -4.637
  169   1HG1  VAL  26          2HG2      VAL  26  -1.478  -6.325  -6.325
  170   2HG1  VAL  26          3HG2      VAL  26  -2.523  -7.015  -7.015
  171   3HG1  VAL  26          1HG2      VAL  26  -1.088  -6.067  -6.067
  172   1HG2  VAL  26          1HG1      VAL  26  -4.835  -4.401  -4.401
  173   2HG2  VAL  26          2HG1      VAL  26  -4.557  -6.120  -6.120
  174   3HG2  VAL  26          3HG1      VAL  26  -3.891  -5.437  -5.437
  175    H    HIS  27           H        HIS  27   0.095  -3.710  -3.710
  176    HA   HIS  27           HA       HIS  27   1.787  -4.976  -4.976
  177   1HB   HIS  27          2HB       HIS  27   2.296  -3.339  -3.339
  178   2HB   HIS  27          1HB       HIS  27   3.680  -3.917  -3.917
  179    HD1  HIS  27           HD1      HIS  27   0.827  -6.462  -6.462
  180    HD2  HIS  27           HD2      HIS  27   4.168  -5.225  -5.225
  181    HE1  HIS  27           HE1      HIS  27   1.384  -8.300  -8.300
  182    HE2  HIS  27           HE2      HIS  27   3.424  -7.684  -7.684
  183    H    ARG  28           H        ARG  28   1.184  -1.667  -1.667
  184    HA   ARG  28           HA       ARG  28   2.913  -0.391  -0.391
  185   1HB   ARG  28          1HB       ARG  28   0.547   0.332   0.332
  186   2HB   ARG  28          2HB       ARG  28   0.413   1.089   1.089
  187   1HG   ARG  28          2HG       ARG  28   2.649   2.223   2.223
  188   2HG   ARG  28          1HG       ARG  28   2.930   1.351   1.351
  189   1HD   ARG  28          1HD       ARG  28   2.060   3.759   3.759
  190   2HD   ARG  28          2HD       ARG  28   1.176   2.509   2.509
  191    HE   ARG  28           HE       ARG  28   0.251   3.341   3.341
  192   1HH1  ARG  28          2HH1      ARG  28  -0.497   3.083   3.083
  193   2HH1  ARG  28          1HH1      ARG  28  -2.274   3.485   3.485
  194   1HH2  ARG  28          1HH2      ARG  28  -1.680   3.768   3.768
  195   2HH2  ARG  28          2HH2      ARG  28  -2.923   3.859   3.859
  196    H    LEU  29           H        LEU  29  -0.638  -0.730  -0.730
  197    HA   LEU  29           HA       LEU  29  -0.551  -0.551  -0.551
  198   1HB   LEU  29          2HB       LEU  29  -2.469  -2.640  -2.640
  199   2HB   LEU  29          1HB       LEU  29  -2.769  -1.028  -1.028
  200    HG   LEU  29           HG       LEU  29  -2.290  -1.520  -1.520
  201   1HD1  LEU  29          3HD2      LEU  29  -4.352  -2.789  -2.789
  202   2HD1  LEU  29          1HD2      LEU  29  -5.036  -1.250  -1.250
  203   3HD1  LEU  29          2HD2      LEU  29  -4.745  -1.538  -1.538
  204   1HD2  LEU  29          2HD1      LEU  29  -1.952   0.848   0.848
  205   2HD2  LEU  29          3HD1      LEU  29  -3.328   0.748   0.748
  206   3HD2  LEU  29          1HD1      LEU  29  -3.610   0.838   0.838
  207    H    ALA  30           H        ALA  30   0.322  -3.251  -3.251
  208    HA   ALA  30           HA       ALA  30   0.904  -4.842  -4.842
  209   1HB   ALA  30          2HB       ALA  30  -0.220  -6.016  -6.016
  210   2HB   ALA  30          3HB       ALA  30   1.143  -5.610  -5.610
  211   3HB   ALA  30          1HB       ALA  30   1.377  -6.730  -6.730
  212    H    ASN  31           H        ASN  31   2.243  -2.610  -2.610
  213    HA   ASN  31           HA       ASN  31   5.065  -3.772  -3.772
  214   1HB   ASN  31          1HB       ASN  31   4.650  -2.256  -2.256
  215   2HB   ASN  31          2HB       ASN  31   4.399  -0.902  -0.902
  216   1HD2  ASN  31          1HD2      ASN  31   7.981  -1.097  -1.097
  217   2HD2  ASN  31          2HD2      ASN  31   6.348  -1.157  -1.157
  218    H    GLY  32           H        GLY  32   3.088  -0.986  -0.986
  219   1HA   GLY  32          1HA       GLY  32   4.569  -0.984  -0.984
  220   2HA   GLY  32          2HA       GLY  32   3.650   0.389   0.389
  221    H    GLY  33           H        GLY  33   1.501   0.506   0.506
  222   1HA   GLY  33          1HA       GLY  33  -0.569  -1.244  -1.244
  223   2HA   GLY  33          2HA       GLY  33   0.174  -1.648  -1.648
  224    H    ASN  34           H        ASN  34  -1.753   0.407   0.407
  225    HA   ASN  34           HA       ASN  34  -2.799   2.522   2.522
  226   1HB   ASN  34          1HB       ASN  34  -4.274   0.748   0.748
  227   2HB   ASN  34          2HB       ASN  34  -3.366   0.661   0.661
  228   1HD2  ASN  34          1HD2      ASN  34  -5.449   3.153   3.153
  229   2HD2  ASN  34          2HD2      ASN  34  -4.143   1.864   1.864
  230    H    GLY  35           H        GLY  35  -0.106   2.701   2.701
  231   1HA   GLY  35          1HA       GLY  35   1.401   4.106   4.106
  232   2HA   GLY  35          2HA       GLY  35   0.002   5.178   5.178
  233    H    PHE  36           H        PHE  36   0.420   5.818   5.818
  234    HA   PHE  36           HA       PHE  36  -0.011   3.699   3.699
  235   1HB   PHE  36          1HB       PHE  36   2.540   4.798   4.798
  236   2HB   PHE  36          2HB       PHE  36   1.919   5.967   5.967
  237    HD1  PHE  36           HD2      PHE  36   1.038   2.313   2.313
  238    HD2  PHE  36           HD1      PHE  36   3.511   5.490   5.490
  239    HE1  PHE  36           HE2      PHE  36   1.732   0.889   0.889
  240    HE2  PHE  36           HE1      PHE  36   4.176   4.074   4.074
  241    HZ   PHE  36           HZ       PHE  36   3.285   1.773   1.773
  242    H    TRP  37           H        TRP  37  -1.644   4.174   4.174
  243    HA   TRP  37           HA       TRP  37  -2.066   6.966   6.966
  244   1HB   TRP  37          1HB       TRP  37  -3.609   5.878   5.878
  245   2HB   TRP  37          2HB       TRP  37  -4.612   6.589   6.589
  246    HD1  TRP  37           HD1      TRP  37  -2.661   7.572   7.572
  247    HE1  TRP  37           HE1      TRP  37  -2.352  10.202  10.202
  248    HE3  TRP  37           HE3      TRP  37  -4.097   8.749   8.749
  249    HZ2  TRP  37           HZ2      TRP  37  -2.818  12.372  12.372
  250    HZ3  TRP  37           HZ3      TRP  37  -4.301  11.133  11.133
  251    HH2  TRP  37           HH2      TRP  37  -3.654  12.920  12.920
  252    HXT  TRP  37           HXT      TRP  37  -4.691   4.277   4.277

  Start of MODEL    3
    1   1H    LYS   1          2H        LYS   1   8.884   1.966   1.966
    2   2H    LYS   1          3H        LYS   1   8.699   2.362   2.362
    3   3H    LYS   1          1H        LYS   1   9.816   3.190   3.190
    4    HA   LYS   1           HA       LYS   1   8.287   4.407   4.407
    5   1HB   LYS   1          1HB       LYS   1   8.117   5.422   5.422
    6   2HB   LYS   1          2HB       LYS   1   7.731   3.920   3.920
    7   1HG   LYS   1          2HG       LYS   1   5.361   4.094   4.094
    8   2HG   LYS   1          1HG       LYS   1   5.609   5.238   5.238
    9   1HD   LYS   1          1HD       LYS   1   4.630   6.330   6.330
   10   2HD   LYS   1          2HD       LYS   1   6.156   7.070   7.070
   11   1HE   LYS   1          1HE       LYS   1   6.756   4.850   4.850
   12   2HE   LYS   1          2HE       LYS   1   5.581   5.933   5.933
   13   1HZ   LYS   1          3HZ       LYS   1   7.237   7.715   7.715
   14   2HZ   LYS   1          1HZ       LYS   1   8.321   6.467   6.467
   15   3HZ   LYS   1          2HZ       LYS   1   7.405   7.117   7.117
   16    H    TYR   2           H        TYR   2   7.581   3.378   3.378
   17    HA   TYR   2           HA       TYR   2   4.960   1.826   1.826
   18   1HB   TYR   2          1HB       TYR   2   6.851   0.503   0.503
   19   2HB   TYR   2          2HB       TYR   2   7.084   1.742   1.742
   20    HD1  TYR   2           HD1      TYR   2   4.388  -0.654  -0.654
   21    HD2  TYR   2           HD2      TYR   2   6.078   1.592   1.592
   22    HE1  TYR   2           HE1      TYR   2   2.878  -1.794  -1.794
   23    HE2  TYR   2           HE2      TYR   2   4.566   0.456   0.456
   24    HH   TYR   2           HH       TYR   2   2.294  -0.708  -0.708
   25    H    TYR   3           H        TYR   3   6.135   4.791   4.791
   26    HA   TYR   3           HA       TYR   3   5.216   6.536   6.536
   27   1HB   TYR   3          2HB       TYR   3   2.682   4.986   4.986
   28   2HB   TYR   3          1HB       TYR   3   2.539   6.423   6.423
   29    HD1  TYR   3           HD1      TYR   3   3.382   5.080   5.080
   30    HD2  TYR   3           HD2      TYR   3   3.038   8.653   8.653
   31    HE1  TYR   3           HE1      TYR   3   3.408   6.454   6.454
   32    HE2  TYR   3           HE2      TYR   3   3.068  10.009  10.009
   33    HH   TYR   3           HH       TYR   3   2.656   8.685   8.685
   34    H    GLY   4           H        GLY   4   5.982   4.081   4.081
   35   1HA   GLY   4          1HA       GLY   4   5.244   2.701   2.701
   36   2HA   GLY   4          2HA       GLY   4   5.776   4.220   4.220
   37    H    ASN   5           H        ASN   5   3.170   2.239   2.239
   38    HA   ASN   5           HA       ASN   5   1.366   2.918   2.918
   39   1HB   ASN   5          1HB       ASN   5  -0.060   4.666   4.666
   40   2HB   ASN   5          2HB       ASN   5   1.440   5.260   5.260
   41   1HD2  ASN   5          1HD2      ASN   5  -0.245   5.608   5.608
   42   2HD2  ASN   5          2HD2      ASN   5   0.984   6.255   6.255
   43    H    GLY   6           H        GLY   6   1.709   2.177   2.177
   44   1HA   GLY   6          1HA       GLY   6   0.702  -0.412  -0.412
   45   2HA   GLY   6          2HA       GLY   6  -0.834   0.449   0.449
   46    H    VAL   7           H        VAL   7   0.704   2.735   2.735
   47    HA   VAL   7           HA       VAL   7  -0.544   1.699   1.699
   48    HB   VAL   7           HB       VAL   7   0.442   4.499   4.499
   49   1HG1  VAL   7          2HG2      VAL   7   0.573   4.179   4.179
   50   2HG1  VAL   7          3HG2      VAL   7  -1.178   3.939   3.939
   51   3HG1  VAL   7          1HG2      VAL   7  -0.501   5.498   5.498
   52   1HG2  VAL   7          3HG1      VAL   7  -1.823   3.706   3.706
   53   2HG2  VAL   7          1HG1      VAL   7  -1.860   5.261   5.261
   54   3HG2  VAL   7          2HG1      VAL   7  -2.511   3.780   3.780
   55    H    HIS   8           H        HIS   8   0.527   0.756   0.756
   56    HA   HIS   8           HA       HIS   8   3.412   1.682   1.682
   57   1HB   HIS   8          1HB       HIS   8   2.214  -0.891  -0.891
   58   2HB   HIS   8          2HB       HIS   8   3.864  -0.640  -0.640
   59    HD1  HIS   8           HD1      HIS   8   0.280  -1.052  -1.052
   60    HD2  HIS   8           HD2      HIS   8   4.511  -1.731  -1.731
   61    HE1  HIS   8           HE1      HIS   8   0.693  -2.394  -2.394
   62    HE2  HIS   8           HE2      HIS   8   3.242  -2.878  -2.878
   63    H    CYS   9           H        CYS   9   3.474   3.202   3.202
   64    HA   CYS   9           HA       CYS   9   1.696   3.020   3.020
   65   1HB   CYS   9          1HB       CYS   9   3.474   5.256   5.256
   66   2HB   CYS   9          2HB       CYS   9   2.690   5.412   5.412
   67    H    THR  10           H        THR  10   2.262   2.475   2.475
   68    HA   THR  10           HA       THR  10   5.188   1.712   1.712
   69    HB   THR  10           HB       THR  10   3.213   1.072   1.072
   70    HG1  THR  10           HG1      THR  10   2.229  -0.546  -0.546
   71   1HG2  THR  10          3HG2      THR  10   5.064  -0.800  -0.800
   72   2HG2  THR  10          1HG2      THR  10   4.115  -1.278  -1.278
   73   3HG2  THR  10          2HG2      THR  10   5.445  -0.135  -0.135
   74    H    LYS  11           H        LYS  11   5.189   1.668   1.668
   75    HA   LYS  11           HA       LYS  11   5.944   4.544   4.544
   76   1HB   LYS  11          1HB       LYS  11   6.648   3.610   3.610
   77   2HB   LYS  11          2HB       LYS  11   7.532   3.045   3.045
   78   1HG   LYS  11          1HG       LYS  11   7.106   0.959   0.959
   79   2HG   LYS  11          2HG       LYS  11   5.648   1.068   1.068
   80   1HD   LYS  11          1HD       LYS  11   5.131   0.328   0.328
   81   2HD   LYS  11          2HD       LYS  11   4.401   1.923   1.923
   82   1HE   LYS  11          1HE       LYS  11   5.493   2.499   2.499
   83   2HE   LYS  11          2HE       LYS  11   6.892   2.745   2.745
   84   1HZ   LYS  11          1HZ       LYS  11   6.341   0.026   0.026
   85   2HZ   LYS  11          2HZ       LYS  11   7.045   1.149   1.149
   86   3HZ   LYS  11          3HZ       LYS  11   7.805   0.744   0.744
   87    H    SER  12           H        SER  12   3.072   2.845   2.845
   88    HA   SER  12           HA       SER  12   2.147   5.084   5.084
   89   1HB   SER  12          1HB       SER  12   1.209   3.541   3.541
   90   2HB   SER  12          2HB       SER  12   2.953   3.353   3.353
   91    HG   SER  12           HG       SER  12   2.641   1.339   1.339
   92    H    GLY  13           H        GLY  13   1.646   4.100   4.100
   93   1HA   GLY  13          1HA       GLY  13  -0.867   5.129   5.129
   94   2HA   GLY  13          2HA       GLY  13  -1.360   3.591   3.591
   95    H    CYS  14           H        CYS  14  -1.867   4.620   4.620
   96    HA   CYS  14           HA       CYS  14  -0.030   3.044   3.044
   97   1HB   CYS  14          1HB       CYS  14  -2.424   4.934   4.934
   98   2HB   CYS  14          2HB       CYS  14  -1.521   4.132   4.132
   99    H    SER  15           H        SER  15  -0.688   1.582   1.582
  100    HA   SER  15           HA       SER  15  -3.331   0.199   0.199
  101   1HB   SER  15          1HB       SER  15  -2.252  -2.057  -2.057
  102   2HB   SER  15          2HB       SER  15  -1.764  -1.029  -1.029
  103    HG   SER  15           HG       SER  15   0.192  -0.589  -0.589
  104    H    VAL  16           H        VAL  16  -3.445   1.549   1.549
  105    HA   VAL  16           HA       VAL  16  -1.954   0.860   0.860
  106    HB   VAL  16           HB       VAL  16  -4.807   2.003   2.003
  107   1HG1  VAL  16          2HG2      VAL  16  -3.136   1.955   1.955
  108   2HG1  VAL  16          3HG2      VAL  16  -4.557   2.978   2.978
  109   3HG1  VAL  16          1HG2      VAL  16  -4.728   1.204   1.204
  110   1HG2  VAL  16          1HG1      VAL  16  -3.103   3.617   3.617
  111   2HG2  VAL  16          2HG1      VAL  16  -3.844   4.264   4.264
  112   3HG2  VAL  16          3HG1      VAL  16  -2.225   3.592   3.592
  113    H    ASN  17           H        ASN  17  -1.686  -1.166  -1.166
  114    HA   ASN  17           HA       ASN  17  -3.942  -3.078  -3.078
  115   1HB   ASN  17          1HB       ASN  17  -1.063  -3.130  -3.130
  116   2HB   ASN  17          2HB       ASN  17  -1.705  -3.655  -3.655
  117   1HD2  ASN  17          1HD2      ASN  17  -3.299  -6.467  -6.467
  118   2HD2  ASN  17          2HD2      ASN  17  -4.062  -5.009  -5.009
  119    H    TRP  18           H        TRP  18  -5.598  -2.216  -2.216
  120    HA   TRP  18           HA       TRP  18  -5.432  -0.563  -0.563
  121   1HB   TRP  18          2HB       TRP  18  -7.639  -2.149  -2.149
  122   2HB   TRP  18          1HB       TRP  18  -8.004  -1.543  -1.543
  123    HD1  TRP  18           HD1      TRP  18  -8.299  -0.555  -0.555
  124    HE1  TRP  18           HE1      TRP  18  -8.456   2.065   2.065
  125    HE3  TRP  18           HE3      TRP  18  -6.715   0.886   0.886
  126    HZ2  TRP  18           HZ2      TRP  18  -7.876   4.336   4.336
  127    HZ3  TRP  18           HZ3      TRP  18  -6.487   3.305   3.305
  128    HH2  TRP  18           HH2      TRP  18  -6.970   5.001   5.001
  129    H    GLY  19           H        GLY  19  -5.544  -4.032  -4.032
  130   1HA   GLY  19          1HA       GLY  19  -6.326  -4.531  -4.531
  131   2HA   GLY  19          2HA       GLY  19  -5.802  -5.759  -5.759
  132    H    GLU  20           H        GLU  20  -3.365  -4.761  -4.761
  133    HA   GLU  20           HA       GLU  20  -1.627  -5.557  -5.557
  134   1HB   GLU  20          1HB       GLU  20  -1.279  -4.163  -4.163
  135   2HB   GLU  20          2HB       GLU  20   0.079  -4.105  -4.105
  136   1HG   GLU  20          1HG       GLU  20  -1.071  -6.885  -6.885
  137   2HG   GLU  20          2HG       GLU  20  -0.407  -6.150  -6.150
  138    HE1  GLU  20           HE2      GLU  20   2.199  -6.821  -6.821
  139    H    ALA  21           H        ALA  21  -3.147  -2.601  -2.601
  140    HA   ALA  21           HA       ALA  21  -1.266  -0.940  -0.940
  141   1HB   ALA  21          2HB       ALA  21  -2.641   0.039   0.039
  142   2HB   ALA  21          3HB       ALA  21  -4.147  -0.386  -0.386
  143   3HB   ALA  21          1HB       ALA  21  -3.051   0.840   0.840
  144    H    PHE  22           H        PHE  22  -4.389  -2.520  -2.520
  145    HA   PHE  22           HA       PHE  22  -4.739  -1.577  -1.577
  146   1HB   PHE  22          1HB       PHE  22  -6.669  -2.598  -2.598
  147   2HB   PHE  22          2HB       PHE  22  -5.776  -4.033  -4.033
  148    HD1  PHE  22           HD2      PHE  22  -6.408  -2.271  -2.271
  149    HD2  PHE  22           HD1      PHE  22  -6.679  -5.894  -5.894
  150    HE1  PHE  22           HE2      PHE  22  -7.315  -3.455  -3.455
  151    HE2  PHE  22           HE1      PHE  22  -7.561  -7.075  -7.075
  152    HZ   PHE  22           HZ       PHE  22  -7.869  -5.865  -5.865
  153    H    SER  23           H        SER  23  -3.000  -4.235  -4.235
  154    HA   SER  23           HA       SER  23  -2.298  -5.489  -5.489
  155   1HB   SER  23          1HB       SER  23  -2.160  -6.466  -6.466
  156   2HB   SER  23          2HB       SER  23  -0.543  -5.782  -5.782
  157    HG   SER  23           HG       SER  23  -1.037  -8.068  -8.068
  158    H    ALA  24           H        ALA  24  -0.825  -3.083  -3.083
  159    HA   ALA  24           HA       ALA  24   1.608  -2.728  -2.728
  160   1HB   ALA  24          2HB       ALA  24   1.223  -1.711  -1.711
  161   2HB   ALA  24          3HB       ALA  24  -0.037  -0.643  -0.643
  162   3HB   ALA  24          1HB       ALA  24   1.660  -0.443  -0.443
  163    H    GLY  25           H        GLY  25  -1.625  -1.390  -1.390
  164   1HA   GLY  25          2HA       GLY  25  -0.945   0.304   0.304
  165   2HA   GLY  25          1HA       GLY  25  -2.582  -0.159  -0.159
  166    H    VAL  26           H        VAL  26  -1.861  -3.048  -3.048
  167    HA   VAL  26           HA       VAL  26  -2.477  -3.602  -3.602
  168    HB   VAL  26           HB       VAL  26  -1.371  -5.442  -5.442
  169   1HG1  VAL  26          1HG1      VAL  26  -2.834  -6.367  -6.367
  170   2HG1  VAL  26          2HG1      VAL  26  -2.394  -7.412  -7.412
  171   3HG1  VAL  26          3HG1      VAL  26  -1.129  -6.674  -6.674
  172   1HG2  VAL  26          2HG2      VAL  26  -3.603  -4.455  -4.455
  173   2HG2  VAL  26          3HG2      VAL  26  -3.701  -6.205  -6.205
  174   3HG2  VAL  26          1HG2      VAL  26  -4.344  -5.114  -5.114
  175    H    HIS  27           H        HIS  27   0.348  -4.277  -4.277
  176    HA   HIS  27           HA       HIS  27   2.195  -4.971  -4.971
  177   1HB   HIS  27          1HB       HIS  27   2.487  -3.187  -3.187
  178   2HB   HIS  27          2HB       HIS  27   3.909  -3.638  -3.638
  179    HD1  HIS  27           HD1      HIS  27   2.730  -4.700  -4.700
  180    HD2  HIS  27           HD2      HIS  27   3.238  -6.602  -6.602
  181    HE1  HIS  27           HE1      HIS  27   2.946  -7.184  -7.184
  182    HE2  HIS  27           HE2      HIS  27   3.275  -8.469  -8.469
  183    H    ARG  28           H        ARG  28   1.239  -1.730  -1.730
  184    HA   ARG  28           HA       ARG  28   2.955  -0.409  -0.409
  185   1HB   ARG  28          1HB       ARG  28   2.319   1.248   1.248
  186   2HB   ARG  28          2HB       ARG  28   0.922   0.340   0.340
  187   1HG   ARG  28          2HG       ARG  28  -0.503   1.278   1.278
  188   2HG   ARG  28          1HG       ARG  28   0.875   1.874   1.874
  189   1HD   ARG  28          1HD       ARG  28   0.170   2.918   2.918
  190   2HD   ARG  28          2HD       ARG  28  -0.377   3.676   3.676
  191    HE   ARG  28           HE       ARG  28   2.433   3.579   3.579
  192   1HH1  ARG  28          2HH1      ARG  28   0.412   4.393   4.393
  193   2HH1  ARG  28          1HH1      ARG  28   1.712   5.468   5.468
  194   1HH2  ARG  28          1HH2      ARG  28   3.788   4.758   4.758
  195   2HH2  ARG  28          2HH2      ARG  28   3.549   5.671   5.671
  196    H    LEU  29           H        LEU  29  -0.371  -1.543  -1.543
  197    HA   LEU  29           HA       LEU  29  -1.096  -0.544  -0.544
  198   1HB   LEU  29          2HB       LEU  29  -3.071  -1.386  -1.386
  199   2HB   LEU  29          1HB       LEU  29  -2.266  -2.253  -2.253
  200    HG   LEU  29           HG       LEU  29  -1.901  -4.222  -4.222
  201   1HD1  LEU  29          2HD1      LEU  29  -1.922  -2.981  -2.981
  202   2HD1  LEU  29          3HD1      LEU  29  -3.652  -2.607  -2.607
  203   3HD1  LEU  29          1HD1      LEU  29  -3.116  -4.292  -4.292
  204   1HD2  LEU  29          2HD2      LEU  29  -4.843  -3.298  -3.298
  205   2HD2  LEU  29          3HD2      LEU  29  -3.890  -4.261  -4.261
  206   3HD2  LEU  29          1HD2      LEU  29  -4.333  -4.961  -4.961
  207    H    ALA  30           H        ALA  30   0.632  -3.394  -3.394
  208    HA   ALA  30           HA       ALA  30   0.961  -4.093  -4.093
  209   1HB   ALA  30          2HB       ALA  30  -0.491  -5.764  -5.764
  210   2HB   ALA  30          3HB       ALA  30   0.781  -6.014  -6.014
  211   3HB   ALA  30          1HB       ALA  30   1.044  -6.523  -6.523
  212    H    ASN  31           H        ASN  31   2.508  -2.295  -2.295
  213    HA   ASN  31           HA       ASN  31   5.066  -3.539  -3.539
  214   1HB   ASN  31          2HB       ASN  31   4.920  -1.246  -1.246
  215   2HB   ASN  31          1HB       ASN  31   4.111  -0.753  -0.753
  216   1HD2  ASN  31          1HD2      ASN  31   8.142  -0.494  -0.494
  217   2HD2  ASN  31          2HD2      ASN  31   7.244  -1.347  -1.347
  218    H    GLY  32           H        GLY  32   3.661  -2.543  -2.543
  219   1HA   GLY  32          1HA       GLY  32   6.054  -3.036  -3.036
  220   2HA   GLY  32          2HA       GLY  32   4.377  -3.095  -3.095
  221    H    GLY  33           H        GLY  33   3.112  -5.031  -5.031
  222   1HA   GLY  33          2HA       GLY  33   2.919  -7.442  -7.442
  223   2HA   GLY  33          1HA       GLY  33   4.601  -7.513  -7.513
  224    H    ASN  34           H        ASN  34   4.478  -5.757  -5.757
  225    HA   ASN  34           HA       ASN  34   6.190  -7.750  -7.750
  226   1HB   ASN  34          2HB       ASN  34   5.243  -5.032  -5.032
  227   2HB   ASN  34          1HB       ASN  34   4.879  -5.972  -5.972
  228   1HD2  ASN  34          1HD2      ASN  34   8.180  -5.704  -5.704
  229   2HD2  ASN  34          2HD2      ASN  34   6.382  -5.922  -5.922
  230    H    GLY  35           H        GLY  35   2.754  -7.471  -7.471
  231   1HA   GLY  35          2HA       GLY  35   1.943  -8.567  -8.567
  232   2HA   GLY  35          1HA       GLY  35   1.085  -8.899  -8.899
  233    H    PHE  36           H        PHE  36   3.024 -10.069 -10.069
  234    HA   PHE  36           HA       PHE  36   2.786 -12.853 -12.853
  235   1HB   PHE  36          2HB       PHE  36   5.254 -11.634 -11.634
  236   2HB   PHE  36          1HB       PHE  36   5.354 -12.142 -12.142
  237    HD1  PHE  36           HD2      PHE  36   4.752 -13.525 -13.525
  238    HD2  PHE  36           HD1      PHE  36   6.086 -14.322 -14.322
  239    HE1  PHE  36           HE2      PHE  36   5.532 -15.758 -15.758
  240    HE2  PHE  36           HE1      PHE  36   6.852 -16.553 -16.553
  241    HZ   PHE  36           HZ       PHE  36   6.581 -17.277 -17.277
  242    H    TRP  37           H        TRP  37   1.030 -11.981 -11.981
  243    HA   TRP  37           HA       TRP  37   1.921 -12.497 -12.497
  244   1HB   TRP  37          1HB       TRP  37  -0.868 -11.863 -11.863
  245   2HB   TRP  37          2HB       TRP  37  -0.568 -11.977 -11.977
  246    HD1  TRP  37           HD1      TRP  37   0.822  -9.810  -9.810
  247    HE1  TRP  37           HE1      TRP  37   1.298  -7.327  -7.327
  248    HE3  TRP  37           HE3      TRP  37  -0.332 -10.603 -10.603
  249    HZ2  TRP  37           HZ2      TRP  37   1.093  -6.058  -6.058
  250    HZ3  TRP  37           HZ3      TRP  37  -0.298  -8.687  -8.687
  251    HH2  TRP  37           HH2      TRP  37   0.496  -6.470  -6.470
  252    HXT  TRP  37           HXT      TRP  37   1.133 -15.778 -15.778

  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1   3.411   1.805   1.805
    2   2H    LYS   1          2H        LYS   1   3.883   3.302   3.302
    3   3H    LYS   1          3H        LYS   1   4.635   1.900   1.900
    4    HA   LYS   1           HA       LYS   1   5.927   1.652   1.652
    5   1HB   LYS   1          1HB       LYS   1   6.341   3.948   3.948
    6   2HB   LYS   1          2HB       LYS   1   5.219   4.672   4.672
    7   1HG   LYS   1          2HG       LYS   1   6.762   3.710   3.710
    8   2HG   LYS   1          1HG       LYS   1   7.932   3.317   3.317
    9   1HD   LYS   1          1HD       LYS   1   7.332   6.017   6.017
   10   2HD   LYS   1          2HD       LYS   1   7.394   5.930   5.930
   11   1HE   LYS   1          1HE       LYS   1   9.567   4.684   4.684
   12   2HE   LYS   1          2HE       LYS   1   9.717   6.293   6.293
   13   1HZ   LYS   1          2HZ       LYS   1   8.971   4.149   4.149
   14   2HZ   LYS   1          3HZ       LYS   1  10.532   4.092   4.092
   15   3HZ   LYS   1          1HZ       LYS   1  10.011   5.452   5.452
   16    H    TYR   2           H        TYR   2   6.219   1.351   1.351
   17    HA   TYR   2           HA       TYR   2   3.686   1.189   1.189
   18   1HB   TYR   2          1HB       TYR   2   6.349  -0.034  -0.034
   19   2HB   TYR   2          2HB       TYR   2   6.150   0.775   0.775
   20    HD1  TYR   2           HD1      TYR   2   4.426   0.059   0.059
   21    HD2  TYR   2           HD2      TYR   2   4.911  -1.996  -1.996
   22    HE1  TYR   2           HE1      TYR   2   3.167  -1.872  -1.872
   23    HE2  TYR   2           HE2      TYR   2   3.663  -3.914  -3.914
   24    HH   TYR   2           HH       TYR   2   3.237  -4.820  -4.820
   25    H    TYR   3           H        TYR   3   3.702   1.794   1.794
   26    HA   TYR   3           HA       TYR   3   5.204   4.393   4.393
   27   1HB   TYR   3          2HB       TYR   3   2.140   4.099   4.099
   28   2HB   TYR   3          1HB       TYR   3   2.791   5.192   5.192
   29    HD1  TYR   3           HD2      TYR   3   5.236   6.050   6.050
   30    HD2  TYR   3           HD1      TYR   3   0.977   5.813   5.813
   31    HE1  TYR   3           HE2      TYR   3   5.357   7.780   7.780
   32    HE2  TYR   3           HE1      TYR   3   1.111   7.556   7.556
   33    HH   TYR   3           HH       TYR   3   4.007   9.353   9.353
   34    H    GLY   4           H        GLY   4   4.249   5.253   5.253
   35   1HA   GLY   4          2HA       GLY   4   5.398   3.238   3.238
   36   2HA   GLY   4          1HA       GLY   4   4.774   4.836   4.836
   37    H    ASN   5           H        ASN   5   2.305   3.391   3.391
   38    HA   ASN   5           HA       ASN   5   1.490   1.445   1.445
   39   1HB   ASN   5          2HB       ASN   5  -0.657   2.665   2.665
   40   2HB   ASN   5          1HB       ASN   5   0.759   3.563   3.563
   41   1HD2  ASN   5          1HD2      ASN   5  -1.526   5.992   5.992
   42   2HD2  ASN   5          2HD2      ASN   5  -1.515   4.903   4.903
   43    H    GLY   6           H        GLY   6   2.092   0.781   0.781
   44   1HA   GLY   6          1HA       GLY   6   1.187  -0.461  -0.461
   45   2HA   GLY   6          2HA       GLY   6  -0.209  -0.761  -0.761
   46    H    VAL   7           H        VAL   7   0.902   2.401   2.401
   47    HA   VAL   7           HA       VAL   7  -1.690   2.603   2.603
   48    HB   VAL   7           HB       VAL   7   0.282   4.678   4.678
   49   1HG1  VAL   7          2HG2      VAL   7  -0.421   5.411   5.411
   50   2HG1  VAL   7          3HG2      VAL   7  -2.095   5.468   5.468
   51   3HG1  VAL   7          1HG2      VAL   7  -0.878   6.551   6.551
   52   1HG2  VAL   7          3HG1      VAL   7  -1.716   3.885   3.885
   53   2HG2  VAL   7          1HG1      VAL   7  -1.554   5.643   5.643
   54   3HG2  VAL   7          2HG1      VAL   7  -2.785   4.711   4.711
   55    H    HIS   8           H        HIS   8  -1.457   1.732   1.732
   56    HA   HIS   8           HA       HIS   8   1.049   2.449   2.449
   57   1HB   HIS   8          1HB       HIS   8  -1.079   0.447   0.447
   58   2HB   HIS   8          2HB       HIS   8   0.677   0.280   0.280
   59    HD1  HIS   8           HD1      HIS   8  -2.357  -0.407  -0.407
   60    HD2  HIS   8           HD2      HIS   8   1.925  -0.719  -0.719
   61    HE1  HIS   8           HE1      HIS   8  -1.508  -1.911  -1.911
   62    HE2  HIS   8           HE2      HIS   8   1.098  -2.192  -2.192
   63    H    CYS   9           H        CYS   9   1.078   3.763   3.763
   64    HA   CYS   9           HA       CYS   9  -1.572   5.075   5.075
   65   1HB   CYS   9          1HB       CYS   9   1.065   6.034   6.034
   66   2HB   CYS   9          2HB       CYS   9   0.908   6.258   6.258
   67    H    THR  10           H        THR  10  -2.523   5.181   5.181
   68    HA   THR  10           HA       THR  10  -1.303   3.427   3.427
   69    HB   THR  10           HB       THR  10  -3.572   2.608   2.608
   70    HG1  THR  10           HG1      THR  10  -5.315   3.217   3.217
   71   1HG2  THR  10          3HG2      THR  10  -3.215   2.388   2.388
   72   2HG2  THR  10          1HG2      THR  10  -4.287   1.369   1.369
   73   3HG2  THR  10          2HG2      THR  10  -2.539   1.255   1.255
   74    H    LYS  11           H        LYS  11  -1.016   6.219   6.219
   75    HA   LYS  11           HA       LYS  11  -0.989   8.086   8.086
   76   1HB   LYS  11          1HB       LYS  11  -0.530   7.517   7.517
   77   2HB   LYS  11          2HB       LYS  11  -0.407   5.911   5.911
   78   1HG   LYS  11          1HG       LYS  11  -2.544   5.211   5.211
   79   2HG   LYS  11          2HG       LYS  11  -3.163   6.859   6.859
   80   1HD   LYS  11          1HD       LYS  11  -2.623   6.883   6.883
   81   2HD   LYS  11          2HD       LYS  11  -0.905   6.672   6.672
   82   1HE   LYS  11          1HE       LYS  11  -2.895   4.293   4.293
   83   2HE   LYS  11          2HE       LYS  11  -1.958   4.759   4.759
   84   1HZ   LYS  11          1HZ       LYS  11   0.028   4.687   4.687
   85   2HZ   LYS  11          2HZ       LYS  11  -0.989   3.701   3.701
   86   3HZ   LYS  11          3HZ       LYS  11  -0.575   3.264   3.264
   87    H    SER  12           H        SER  12  -3.734   6.985   6.985
   88    HA   SER  12           HA       SER  12  -5.380   8.676   8.676
   89   1HB   SER  12          2HB       SER  12  -7.370   7.252   7.252
   90   2HB   SER  12          1HB       SER  12  -6.047   6.268   6.268
   91    HG   SER  12           HG       SER  12  -5.593   6.124   6.124
   92    H    GLY  13           H        GLY  13  -4.928   7.657   7.657
   93   1HA   GLY  13          2HA       GLY  13  -4.987  10.383  10.383
   94   2HA   GLY  13          1HA       GLY  13  -6.655   9.759   9.759
   95    H    CYS  14           H        CYS  14  -3.675   7.984   7.984
   96    HA   CYS  14           HA       CYS  14  -3.050   6.255   6.255
   97   1HB   CYS  14          1HB       CYS  14  -3.336   8.793   8.793
   98   2HB   CYS  14          2HB       CYS  14  -3.752   7.475   7.475
   99    H    SER  15           H        SER  15  -3.520   4.703   4.703
  100    HA   SER  15           HA       SER  15  -6.419   4.335   4.335
  101   1HB   SER  15          1HB       SER  15  -5.037   2.604   2.604
  102   2HB   SER  15          2HB       SER  15  -6.316   1.915   1.915
  103    HG   SER  15           HG       SER  15  -7.235   2.760   2.760
  104    H    VAL  16           H        VAL  16  -6.710   3.250   3.250
  105    HA   VAL  16           HA       VAL  16  -4.111   2.287   2.287
  106    HB   VAL  16           HB       VAL  16  -6.832   3.151   3.151
  107   1HG1  VAL  16          2HG2      VAL  16  -4.266   2.326   2.326
  108   2HG1  VAL  16          3HG2      VAL  16  -5.624   3.174   3.174
  109   3HG1  VAL  16          1HG2      VAL  16  -5.860   1.538   1.538
  110   1HG2  VAL  16          1HG1      VAL  16  -5.561   5.194   5.194
  111   2HG2  VAL  16          2HG1      VAL  16  -5.631   5.123   5.123
  112   3HG2  VAL  16          3HG1      VAL  16  -4.145   4.688   4.688
  113    H    ASN  17           H        ASN  17  -3.867   0.496   0.496
  114    HA   ASN  17           HA       ASN  17  -6.104  -1.582  -1.582
  115   1HB   ASN  17          1HB       ASN  17  -3.429  -1.785  -1.785
  116   2HB   ASN  17          2HB       ASN  17  -3.293  -2.499  -2.499
  117   1HD2  ASN  17          1HD2      ASN  17  -4.199  -5.065  -5.065
  118   2HD2  ASN  17          2HD2      ASN  17  -2.990  -3.666  -3.666
  119    H    TRP  18           H        TRP  18  -7.288  -1.700  -1.700
  120    HA   TRP  18           HA       TRP  18  -6.083  -0.926  -0.926
  121   1HB   TRP  18          1HB       TRP  18  -8.919  -1.763  -1.763
  122   2HB   TRP  18          2HB       TRP  18  -8.593  -1.491  -1.491
  123    HD1  TRP  18           HD1      TRP  18  -9.848   0.370   0.370
  124    HE1  TRP  18           HE1      TRP  18  -9.623   3.017   3.017
  125    HE3  TRP  18           HE3      TRP  18  -6.465   0.366   0.366
  126    HZ2  TRP  18           HZ2      TRP  18  -8.070   4.705   4.705
  127    HZ3  TRP  18           HZ3      TRP  18  -5.707   2.530   2.530
  128    HH2  TRP  18           HH2      TRP  18  -6.396   4.664   4.664
  129    H    GLY  19           H        GLY  19  -5.211  -3.479  -3.479
  130   1HA   GLY  19          1HA       GLY  19  -5.755  -5.176  -5.176
  131   2HA   GLY  19          2HA       GLY  19  -5.343  -5.865  -5.865
  132    H    GLU  20           H        GLU  20  -3.408  -4.169  -4.169
  133    HA   GLU  20           HA       GLU  20  -1.027  -4.970  -4.970
  134   1HB   GLU  20          1HB       GLU  20  -1.752  -3.485  -3.485
  135   2HB   GLU  20          2HB       GLU  20  -0.591  -2.513  -2.513
  136   1HG   GLU  20          1HG       GLU  20   0.455  -4.015  -4.015
  137   2HG   GLU  20          2HG       GLU  20   1.167  -4.234  -4.234
  138    HE2  GLU  20           HE2      GLU  20   0.793  -7.563  -7.563
  139    H    ALA  21           H        ALA  21  -3.061  -2.189  -2.189
  140    HA   ALA  21           HA       ALA  21  -1.240  -0.739  -0.739
  141   1HB   ALA  21          2HB       ALA  21  -2.435   0.551   0.551
  142   2HB   ALA  21          3HB       ALA  21  -4.013   0.016   0.016
  143   3HB   ALA  21          1HB       ALA  21  -2.986   1.099   1.099
  144    H    PHE  22           H        PHE  22  -4.316  -2.428  -2.428
  145    HA   PHE  22           HA       PHE  22  -5.107  -1.990  -1.990
  146   1HB   PHE  22          1HB       PHE  22  -6.197  -3.438  -3.438
  147   2HB   PHE  22          2HB       PHE  22  -5.404  -4.767  -4.767
  148    HD1  PHE  22           HD1      PHE  22  -6.064  -5.434  -5.434
  149    HD2  PHE  22           HD2      PHE  22  -8.257  -2.464  -2.464
  150    HE1  PHE  22           HE1      PHE  22  -7.986  -5.739  -5.739
  151    HE2  PHE  22           HE2      PHE  22 -10.186  -2.789  -2.789
  152    HZ   PHE  22           HZ       PHE  22 -10.048  -4.413  -4.413
  153    H    SER  23           H        SER  23  -2.959  -4.370  -4.370
  154    HA   SER  23           HA       SER  23  -2.343  -5.623  -5.623
  155   1HB   SER  23          1HB       SER  23  -0.836  -7.065  -7.065
  156   2HB   SER  23          2HB       SER  23  -2.142  -6.796  -6.796
  157    HG   SER  23           HG       SER  23  -0.843  -5.574  -5.574
  158    H    ALA  24           H        ALA  24  -0.813  -3.237  -3.237
  159    HA   ALA  24           HA       ALA  24   1.569  -2.835  -2.835
  160   1HB   ALA  24          2HB       ALA  24   1.200  -1.818  -1.818
  161   2HB   ALA  24          3HB       ALA  24  -0.083  -0.769  -0.769
  162   3HB   ALA  24          1HB       ALA  24   1.604  -0.547  -0.547
  163    H    GLY  25           H        GLY  25  -1.718  -1.685  -1.685
  164   1HA   GLY  25          2HA       GLY  25  -0.975   0.222   0.222
  165   2HA   GLY  25          1HA       GLY  25  -2.626  -0.204  -0.204
  166    H    VAL  26           H        VAL  26  -2.140  -3.074  -3.074
  167    HA   VAL  26           HA       VAL  26  -2.675  -3.488  -3.488
  168    HB   VAL  26           HB       VAL  26  -1.850  -5.477  -5.477
  169   1HG1  VAL  26          1HG1      VAL  26  -3.212  -6.211  -6.211
  170   2HG1  VAL  26          2HG1      VAL  26  -2.942  -7.324  -7.324
  171   3HG1  VAL  26          3HG1      VAL  26  -1.565  -6.663  -6.663
  172   1HG2  VAL  26          2HG2      VAL  26  -4.037  -4.330  -4.330
  173   2HG2  VAL  26          3HG2      VAL  26  -4.254  -6.061  -6.061
  174   3HG2  VAL  26          1HG2      VAL  26  -4.729  -4.893  -4.893
  175    H    HIS  27           H        HIS  27  -0.032  -4.571  -4.571
  176    HA   HIS  27           HA       HIS  27   1.823  -5.263  -5.263
  177   1HB   HIS  27          1HB       HIS  27   2.280  -3.792  -3.792
  178   2HB   HIS  27          2HB       HIS  27   3.607  -4.502  -4.502
  179    HD1  HIS  27           HD1      HIS  27   0.448  -6.691  -6.691
  180    HD2  HIS  27           HD2      HIS  27   3.997  -5.915  -5.915
  181    HE1  HIS  27           HE1      HIS  27   0.889  -8.655  -8.655
  182    HE2  HIS  27           HE2      HIS  27   3.017  -8.302  -8.302
  183    H    ARG  28           H        ARG  28   1.019  -2.079  -2.079
  184    HA   ARG  28           HA       ARG  28   3.032  -0.734  -0.734
  185   1HB   ARG  28          1HB       ARG  28   1.851   0.178   0.178
  186   2HB   ARG  28          2HB       ARG  28   0.430   0.463   0.463
  187   1HG   ARG  28          1HG       ARG  28   2.079   1.932   1.932
  188   2HG   ARG  28          2HG       ARG  28   3.198   1.831   1.831
  189   1HD   ARG  28          1HD       ARG  28   1.001   2.639   2.639
  190   2HD   ARG  28          2HD       ARG  28   0.501   3.245   3.245
  191    HE   ARG  28           HE       ARG  28   3.318   3.903   3.903
  192   1HH1  ARG  28          2HH1      ARG  28   0.102   4.949   4.949
  193   2HH1  ARG  28          1HH1      ARG  28   0.662   6.674   6.674
  194   1HH2  ARG  28          1HH2      ARG  28   3.849   5.786   5.786
  195   2HH2  ARG  28          2HH2      ARG  28   2.697   7.134   7.134
  196    H    LEU  29           H        LEU  29  -0.373  -1.563  -1.563
  197    HA   LEU  29           HA       LEU  29  -0.848  -0.250  -0.250
  198   1HB   LEU  29          1HB       LEU  29  -2.920  -1.037  -1.037
  199   2HB   LEU  29          2HB       LEU  29  -2.252  -2.087  -2.087
  200    HG   LEU  29           HG       LEU  29  -1.955  -3.926  -3.926
  201   1HD1  LEU  29          2HD1      LEU  29  -1.628  -2.516  -2.516
  202   2HD1  LEU  29          3HD1      LEU  29  -3.327  -1.987  -1.987
  203   3HD1  LEU  29          1HD1      LEU  29  -2.930  -3.695  -3.695
  204   1HD2  LEU  29          2HD2      LEU  29  -4.816  -2.738  -2.738
  205   2HD2  LEU  29          3HD2      LEU  29  -4.083  -3.882  -3.882
  206   3HD2  LEU  29          1HD2      LEU  29  -4.421  -4.406  -4.406
  207    H    ALA  30           H        ALA  30   0.532  -3.374  -3.374
  208    HA   ALA  30           HA       ALA  30   0.881  -3.861  -3.861
  209   1HB   ALA  30          2HB       ALA  30  -0.316  -5.656  -5.656
  210   2HB   ALA  30          3HB       ALA  30   1.073  -5.806  -5.806
  211   3HB   ALA  30          1HB       ALA  30   1.230  -6.280  -6.280
  212    H    ASN  31           H        ASN  31   2.401  -1.951  -1.951
  213    HA   ASN  31           HA       ASN  31   5.147  -3.298  -3.298
  214   1HB   ASN  31          2HB       ASN  31   4.914  -1.880  -1.880
  215   2HB   ASN  31          1HB       ASN  31   4.025  -0.653  -0.653
  216   1HD2  ASN  31          1HD2      ASN  31   7.077   1.134   1.134
  217   2HD2  ASN  31          2HD2      ASN  31   5.401   0.897   0.897
  218    H    GLY  32           H        GLY  32   3.423  -0.527  -0.527
  219   1HA   GLY  32          2HA       GLY  32   3.633  -0.555  -0.555
  220   2HA   GLY  32          1HA       GLY  32   5.385  -0.722  -0.722
  221    H    GLY  33           H        GLY  33   2.706   1.283   1.283
  222   1HA   GLY  33          2HA       GLY  33   3.312   3.700   3.700
  223   2HA   GLY  33          1HA       GLY  33   4.431   3.782   3.782
  224    H    ASN  34           H        ASN  34   1.291   4.047   4.047
  225    HA   ASN  34           HA       ASN  34   0.425   5.572   5.572
  226   1HB   ASN  34          1HB       ASN  34   0.181   2.925   2.925
  227   2HB   ASN  34          2HB       ASN  34  -1.226   3.010   3.010
  228   1HD2  ASN  34          1HD2      ASN  34  -2.091   3.625   3.625
  229   2HD2  ASN  34          2HD2      ASN  34  -1.075   2.334   2.334
  230    H    GLY  35           H        GLY  35  -0.944   3.549   3.549
  231   1HA   GLY  35          2HA       GLY  35  -2.953   5.803   5.803
  232   2HA   GLY  35          1HA       GLY  35  -3.118   4.118   4.118
  233    H    PHE  36           H        PHE  36  -0.795   6.775   6.775
  234    HA   PHE  36           HA       PHE  36   0.421   7.630   7.630
  235   1HB   PHE  36          2HB       PHE  36  -1.633   8.387   8.387
  236   2HB   PHE  36          1HB       PHE  36  -2.288   6.789   6.789
  237    HD1  PHE  36           HD1      PHE  36   0.306   9.145   9.145
  238    HD2  PHE  36           HD2      PHE  36  -2.184   5.745   5.745
  239    HE1  PHE  36           HE1      PHE  36   0.727   9.430   9.430
  240    HE2  PHE  36           HE2      PHE  36  -1.722   6.010   6.010
  241    HZ   PHE  36           HZ       PHE  36  -0.278   7.861   7.861
  242    H    TRP  37           H        TRP  37   2.054   7.134   7.134
  243    HA   TRP  37           HA       TRP  37   3.764   5.672   5.672
  244   1HB   TRP  37          1HB       TRP  37   1.222   4.610   4.610
  245   2HB   TRP  37          2HB       TRP  37   2.764   3.836   3.836
  246    HD1  TRP  37           HD1      TRP  37   4.335   6.916   6.916
  247    HE1  TRP  37           HE1      TRP  37   4.392   8.357   8.357
  248    HE3  TRP  37           HE3      TRP  37   0.519   4.485   4.485
  249    HZ2  TRP  37           HZ2      TRP  37   2.793   8.338   8.338
  250    HZ3  TRP  37           HZ3      TRP  37  -0.231   5.278   5.278
  251    HH2  TRP  37           HH2      TRP  37   0.951   7.111   7.111
  252    HXT  TRP  37           HXT      TRP  37   3.452   3.250   3.250

  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1   5.419   2.193   2.193
    2   2H    LYS   1          2H        LYS   1   6.930   2.559   2.559
    3   3H    LYS   1          3H        LYS   1   6.763   1.288   1.288
    4    HA   LYS   1           HA       LYS   1   7.711   2.991   2.991
    5   1HB   LYS   1          1HB       LYS   1   7.364   4.879   4.879
    6   2HB   LYS   1          2HB       LYS   1   5.617   4.685   4.685
    7   1HG   LYS   1          2HG       LYS   1   5.544   5.401   5.401
    8   2HG   LYS   1          1HG       LYS   1   7.298   5.561   5.561
    9   1HD   LYS   1          1HD       LYS   1   5.547   7.630   7.630
   10   2HD   LYS   1          2HD       LYS   1   7.294   7.621   7.621
   11   1HE   LYS   1          1HE       LYS   1   7.059   7.238   7.238
   12   2HE   LYS   1          2HE       LYS   1   5.613   6.233   6.233
   13   1HZ   LYS   1          2HZ       LYS   1   5.407   9.069   9.069
   14   2HZ   LYS   1          3HZ       LYS   1   5.454   8.666   8.666
   15   3HZ   LYS   1          1HZ       LYS   1   4.248   8.035   8.035
   16    H    TYR   2           H        TYR   2   7.399   2.491   2.491
   17    HA   TYR   2           HA       TYR   2   4.639   1.789   1.789
   18   1HB   TYR   2          1HB       TYR   2   7.142   0.862   0.862
   19   2HB   TYR   2          2HB       TYR   2   7.050   2.160   2.160
   20    HD1  TYR   2           HD2      TYR   2   4.126   0.053   0.053
   21    HD2  TYR   2           HD1      TYR   2   6.943   0.962   0.962
   22    HE1  TYR   2           HE2      TYR   2   2.863  -1.366  -1.366
   23    HE2  TYR   2           HE1      TYR   2   5.661  -0.461  -0.461
   24    HH   TYR   2           HH       TYR   2   3.747  -1.567  -1.567
   25    H    TYR   3           H        TYR   3   4.072   2.548   2.548
   26    HA   TYR   3           HA       TYR   3   4.775   5.465   5.465
   27   1HB   TYR   3          2HB       TYR   3   1.973   4.459   4.459
   28   2HB   TYR   3          1HB       TYR   3   2.086   5.788   5.788
   29    HD1  TYR   3           HD2      TYR   3   3.136   7.983   7.983
   30    HD2  TYR   3           HD1      TYR   3   2.382   4.715   4.715
   31    HE1  TYR   3           HE2      TYR   3   3.290   9.518   9.518
   32    HE2  TYR   3           HE1      TYR   3   2.525   6.271   6.271
   33    HH   TYR   3           HH       TYR   3   3.910   8.845   8.845
   34    H    GLY   4           H        GLY   4   3.186   6.286   6.286
   35   1HA   GLY   4          2HA       GLY   4   4.143   5.273   5.273
   36   2HA   GLY   4          1HA       GLY   4   2.592   6.116   6.116
   37    H    ASN   5           H        ASN   5   0.760   5.115   5.115
   38    HA   ASN   5           HA       ASN   5   0.662   2.765   2.765
   39   1HB   ASN   5          1HB       ASN   5  -1.158   4.744   4.744
   40   2HB   ASN   5          2HB       ASN   5  -1.798   3.367   3.367
   41   1HD2  ASN   5          1HD2      ASN   5  -3.377   3.643   3.643
   42   2HD2  ASN   5          2HD2      ASN   5  -3.073   4.877   4.877
   43    H    GLY   6           H        GLY   6   1.203   2.879   2.879
   44   1HA   GLY   6          2HA       GLY   6   2.076   0.607   0.607
   45   2HA   GLY   6          1HA       GLY   6   0.696  -0.168  -0.168
   46    H    VAL   7           H        VAL   7   1.037   2.723   2.723
   47    HA   VAL   7           HA       VAL   7  -1.028   1.469   1.469
   48    HB   VAL   7           HB       VAL   7  -0.190   4.367   4.367
   49   1HG1  VAL   7          1HG1      VAL   7  -1.936   3.627   3.627
   50   2HG1  VAL   7          2HG1      VAL   7  -1.689   5.270   5.270
   51   3HG1  VAL   7          3HG1      VAL   7  -0.333   4.398   4.398
   52   1HG2  VAL   7          2HG2      VAL   7  -2.103   3.417   3.417
   53   2HG2  VAL   7          3HG2      VAL   7  -2.609   4.794   4.794
   54   3HG2  VAL   7          1HG2      VAL   7  -3.034   3.139   3.139
   55    H    HIS   8           H        HIS   8  -0.661   1.023   1.023
   56    HA   HIS   8           HA       HIS   8   2.092   1.797   1.797
   57   1HB   HIS   8          1HB       HIS   8   0.695  -0.820  -0.820
   58   2HB   HIS   8          2HB       HIS   8   2.420  -0.543  -0.543
   59    HD1  HIS   8           HD1      HIS   8  -0.734  -0.757  -0.757
   60    HD2  HIS   8           HD2      HIS   8   3.421  -1.737  -1.737
   61    HE1  HIS   8           HE1      HIS   8   0.064  -2.091  -2.091
   62    HE2  HIS   8           HE2      HIS   8   2.590  -2.762  -2.762
   63    H    CYS   9           H        CYS   9   1.404   3.491   3.491
   64    HA   CYS   9           HA       CYS   9  -0.909   3.088   3.088
   65   1HB   CYS   9          1HB       CYS   9   0.736   5.550   5.550
   66   2HB   CYS   9          2HB       CYS   9  -0.457   5.652   5.652
   67    H    THR  10           H        THR  10  -0.700   2.363   2.363
   68    HA   THR  10           HA       THR  10   2.068   2.506   2.506
   69    HB   THR  10           HB       THR  10   0.388   0.837   0.837
   70    HG1  THR  10           HG1      THR  10  -0.452  -0.580  -0.580
   71   1HG2  THR  10          3HG2      THR  10   2.297  -0.119  -0.119
   72   2HG2  THR  10          1HG2      THR  10   1.655  -1.136  -1.136
   73   3HG2  THR  10          2HG2      THR  10   2.772   0.174   0.174
   74    H    LYS  11           H        LYS  11   1.505   2.044   2.044
   75    HA   LYS  11           HA       LYS  11   0.861   4.748   4.748
   76   1HB   LYS  11          1HB       LYS  11   0.800   3.562   3.562
   77   2HB   LYS  11          2HB       LYS  11   2.302   3.437   3.437
   78   1HG   LYS  11          1HG       LYS  11   0.916   1.147   1.147
   79   2HG   LYS  11          2HG       LYS  11   0.302   1.290   1.290
   80   1HD   LYS  11          1HD       LYS  11   2.823   1.397   1.397
   81   2HD   LYS  11          2HD       LYS  11   3.217   0.971   0.971
   82   1HE   LYS  11          1HE       LYS  11   1.833  -1.118  -1.118
   83   2HE   LYS  11          2HE       LYS  11   1.271  -0.702  -0.702
   84   1HZ   LYS  11          1HZ       LYS  11   4.172  -0.812  -0.812
   85   2HZ   LYS  11          2HZ       LYS  11   3.308  -2.242  -2.242
   86   3HZ   LYS  11          3HZ       LYS  11   3.320  -1.089  -1.089
   87    H    SER  12           H        SER  12  -1.058   1.872   1.872
   88    HA   SER  12           HA       SER  12  -3.254   2.833   2.833
   89   1HB   SER  12          2HB       SER  12  -4.544   0.877   0.877
   90   2HB   SER  12          1HB       SER  12  -2.905   0.399   0.399
   91    HG   SER  12           HG       SER  12  -2.676   1.095   1.095
   92    H    GLY  13           H        GLY  13  -2.280   3.743   3.743
   93   1HA   GLY  13          2HA       GLY  13  -4.006   5.840   5.840
   94   2HA   GLY  13          1HA       GLY  13  -5.125   4.490   4.490
   95    H    CYS  14           H        CYS  14  -5.259   3.758   3.758
   96    HA   CYS  14           HA       CYS  14  -2.672   3.646   3.646
   97   1HB   CYS  14          1HB       CYS  14  -5.230   5.133   5.133
   98   2HB   CYS  14          2HB       CYS  14  -4.429   4.271   4.271
   99    H    SER  15           H        SER  15  -2.726   2.247   2.247
  100    HA   SER  15           HA       SER  15  -4.753   0.018   0.018
  101   1HB   SER  15          2HB       SER  15  -2.559  -0.212  -0.212
  102   2HB   SER  15          1HB       SER  15  -1.875  -0.917  -0.917
  103    HG   SER  15           HG       SER  15  -2.820  -2.623  -2.623
  104    H    VAL  16           H        VAL  16  -5.090   1.092   1.092
  105    HA   VAL  16           HA       VAL  16  -3.060   0.798   0.798
  106    HB   VAL  16           HB       VAL  16  -5.262   2.333   2.333
  107   1HG1  VAL  16          1HG1      VAL  16  -6.508  -0.055  -0.055
  108   2HG1  VAL  16          2HG1      VAL  16  -7.203   1.580   1.580
  109   3HG1  VAL  16          3HG1      VAL  16  -7.060   0.587   0.587
  110   1HG2  VAL  16          2HG2      VAL  16  -3.647   2.451   2.451
  111   2HG2  VAL  16          3HG2      VAL  16  -5.324   2.701   2.701
  112   3HG2  VAL  16          1HG2      VAL  16  -4.530   1.135   1.135
  113    H    ASN  17           H        ASN  17  -2.846  -0.541  -0.541
  114    HA   ASN  17           HA       ASN  17  -4.441  -3.159  -3.159
  115   1HB   ASN  17          2HB       ASN  17  -1.642  -2.888  -2.888
  116   2HB   ASN  17          1HB       ASN  17  -1.802  -3.168  -3.168
  117   1HD2  ASN  17          1HD2      ASN  17  -1.464  -6.447  -6.447
  118   2HD2  ASN  17          2HD2      ASN  17  -0.518  -4.861  -4.861
  119    H    TRP  18           H        TRP  18  -5.970  -1.836  -1.836
  120    HA   TRP  18           HA       TRP  18  -5.575  -0.686  -0.686
  121   1HB   TRP  18          2HB       TRP  18  -7.962  -2.039  -2.039
  122   2HB   TRP  18          1HB       TRP  18  -8.163  -1.597  -1.597
  123    HD1  TRP  18           HD1      TRP  18  -8.843  -0.225  -0.225
  124    HE1  TRP  18           HE1      TRP  18  -8.861   2.432   2.432
  125    HE3  TRP  18           HE3      TRP  18  -6.474   0.649   0.649
  126    HZ2  TRP  18           HZ2      TRP  18  -7.811   4.485   4.485
  127    HZ3  TRP  18           HZ3      TRP  18  -6.017   2.991   2.991
  128    HH2  TRP  18           HH2      TRP  18  -6.759   4.884   4.884
  129    H    GLY  19           H        GLY  19  -5.588  -4.065  -4.065
  130   1HA   GLY  19          1HA       GLY  19  -6.226  -4.932  -4.932
  131   2HA   GLY  19          2HA       GLY  19  -5.594  -5.967  -5.967
  132    H    GLU  20           H        GLU  20  -3.310  -4.772  -4.772
  133    HA   GLU  20           HA       GLU  20  -1.460  -5.412  -5.412
  134   1HB   GLU  20          1HB       GLU  20  -1.354  -4.692  -4.692
  135   2HB   GLU  20          2HB       GLU  20  -0.386  -3.477  -3.477
  136   1HG   GLU  20          1HG       GLU  20   1.242  -5.121  -5.121
  137   2HG   GLU  20          2HG       GLU  20   0.166  -6.471  -6.471
  138    HE2  GLU  20           HE2      GLU  20   2.546  -5.201  -5.201
  139    H    ALA  21           H        ALA  21  -3.356  -2.668  -2.668
  140    HA   ALA  21           HA       ALA  21  -1.506  -0.831  -0.831
  141   1HB   ALA  21          2HB       ALA  21  -2.954   0.053   0.053
  142   2HB   ALA  21          3HB       ALA  21  -4.424  -0.469  -0.469
  143   3HB   ALA  21          1HB       ALA  21  -3.407   0.827   0.827
  144    H    PHE  22           H        PHE  22  -4.486  -2.656  -2.656
  145    HA   PHE  22           HA       PHE  22  -4.899  -1.795  -1.795
  146   1HB   PHE  22          1HB       PHE  22  -6.762  -3.039  -3.039
  147   2HB   PHE  22          2HB       PHE  22  -5.800  -4.088  -4.088
  148    HD1  PHE  22           HD2      PHE  22  -6.800  -3.516  -3.516
  149    HD2  PHE  22           HD1      PHE  22  -5.221  -6.287  -6.287
  150    HE1  PHE  22           HE2      PHE  22  -6.995  -5.345  -5.345
  151    HE2  PHE  22           HE1      PHE  22  -5.420  -8.107  -8.107
  152    HZ   PHE  22           HZ       PHE  22  -6.298  -7.641  -7.641
  153    H    SER  23           H        SER  23  -3.040  -4.352  -4.352
  154    HA   SER  23           HA       SER  23  -2.122  -5.556  -5.556
  155   1HB   SER  23          1HB       SER  23  -0.383  -5.728  -5.728
  156   2HB   SER  23          2HB       SER  23  -0.775  -6.995  -6.995
  157    HG   SER  23           HG       SER  23  -2.946  -6.958  -6.958
  158    H    ALA  24           H        ALA  24  -0.814  -3.110  -3.110
  159    HA   ALA  24           HA       ALA  24   1.676  -2.655  -2.655
  160   1HB   ALA  24          2HB       ALA  24   1.085  -1.618  -1.618
  161   2HB   ALA  24          3HB       ALA  24  -0.164  -0.613  -0.613
  162   3HB   ALA  24          1HB       ALA  24   1.556  -0.353  -0.353
  163    H    GLY  25           H        GLY  25  -1.558  -1.363  -1.363
  164   1HA   GLY  25          2HA       GLY  25  -0.666   0.362   0.362
  165   2HA   GLY  25          1HA       GLY  25  -2.349   0.005   0.005
  166    H    VAL  26           H        VAL  26  -2.026  -2.852  -2.852
  167    HA   VAL  26           HA       VAL  26  -2.526  -3.352  -3.352
  168    HB   VAL  26           HB       VAL  26  -2.739  -4.794  -4.794
  169   1HG1  VAL  26          2HG2      VAL  26  -1.040  -6.419  -6.419
  170   2HG1  VAL  26          3HG2      VAL  26  -1.942  -7.139  -7.139
  171   3HG1  VAL  26          1HG2      VAL  26  -0.608  -6.006  -6.006
  172   1HG2  VAL  26          1HG1      VAL  26  -4.582  -4.876  -4.876
  173   2HG2  VAL  26          2HG1      VAL  26  -4.090  -6.524  -6.524
  174   3HG2  VAL  26          3HG1      VAL  26  -3.568  -5.867  -5.867
  175    H    HIS  27           H        HIS  27   0.307  -3.687  -3.687
  176    HA   HIS  27           HA       HIS  27   1.981  -4.864  -4.864
  177   1HB   HIS  27          1HB       HIS  27   2.745  -2.914  -2.914
  178   2HB   HIS  27          2HB       HIS  27   3.878  -3.995  -3.995
  179    HD1  HIS  27           HD1      HIS  27   1.537  -6.557  -6.557
  180    HD2  HIS  27           HD2      HIS  27   3.259  -3.999  -3.999
  181    HE1  HIS  27           HE1      HIS  27   1.388  -7.705  -7.705
  182    HE2  HIS  27           HE2      HIS  27   2.405  -6.249  -6.249
  183    H    ARG  28           H        ARG  28   1.595  -1.533  -1.533
  184    HA   ARG  28           HA       ARG  28   3.120  -0.258  -0.258
  185   1HB   ARG  28          1HB       ARG  28   1.581   0.610   0.610
  186   2HB   ARG  28          2HB       ARG  28   0.469   0.997   0.997
  187   1HG   ARG  28          2HG       ARG  28   2.992   2.044   2.044
  188   2HG   ARG  28          1HG       ARG  28   3.011   2.373   2.373
  189   1HD   ARG  28          1HD       ARG  28   0.931   3.320   3.320
  190   2HD   ARG  28          2HD       ARG  28   1.990   4.303   4.303
  191    HE   ARG  28           HE       ARG  28   0.464   2.634   2.634
  192   1HH1  ARG  28          2HH1      ARG  28  -0.224   5.172   5.172
  193   2HH1  ARG  28          1HH1      ARG  28  -1.741   5.688   5.688
  194   1HH2  ARG  28          1HH2      ARG  28  -1.187   3.248   3.248
  195   2HH2  ARG  28          2HH2      ARG  28  -2.270   4.646   4.646
  196    H    LEU  29           H        LEU  29  -0.083  -1.640  -1.640
  197    HA   LEU  29           HA       LEU  29  -0.764  -0.457  -0.457
  198   1HB   LEU  29          2HB       LEU  29  -2.771  -0.822  -0.822
  199   2HB   LEU  29          1HB       LEU  29  -2.119  -2.078  -2.078
  200    HG   LEU  29           HG       LEU  29  -2.498  -3.810  -3.810
  201   1HD1  LEU  29          3HD2      LEU  29  -2.028  -2.349  -2.349
  202   2HD1  LEU  29          1HD2      LEU  29  -3.641  -1.649  -1.649
  203   3HD1  LEU  29          2HD2      LEU  29  -3.462  -3.393  -3.393
  204   1HD2  LEU  29          2HD1      LEU  29  -4.416  -3.074  -3.074
  205   2HD2  LEU  29          3HD1      LEU  29  -4.989  -3.745  -3.745
  206   3HD2  LEU  29          1HD1      LEU  29  -4.982  -1.985  -1.985
  207    H    ALA  30           H        ALA  30   0.425  -3.515  -3.515
  208    HA   ALA  30           HA       ALA  30   0.471  -4.493  -4.493
  209   1HB   ALA  30          2HB       ALA  30  -0.961  -5.872  -5.872
  210   2HB   ALA  30          3HB       ALA  30   0.420  -6.109  -6.109
  211   3HB   ALA  30          1HB       ALA  30   0.438  -6.822  -6.822
  212    H    ASN  31           H        ASN  31   2.341  -2.698  -2.698
  213    HA   ASN  31           HA       ASN  31   4.830  -4.411  -4.411
  214   1HB   ASN  31          2HB       ASN  31   4.766  -2.397  -2.397
  215   2HB   ASN  31          1HB       ASN  31   4.251  -1.378  -1.378
  216   1HD2  ASN  31          1HD2      ASN  31   7.552  -0.605  -0.605
  217   2HD2  ASN  31          2HD2      ASN  31   5.760  -0.487  -0.487
  218    H    GLY  32           H        GLY  32   3.754  -1.750  -1.750
  219   1HA   GLY  32          1HA       GLY  32   5.632  -2.847  -2.847
  220   2HA   GLY  32          2HA       GLY  32   4.914  -1.223  -1.223
  221    H    GLY  33           H        GLY  33   2.413  -1.344  -1.344
  222   1HA   GLY  33          2HA       GLY  33   1.370  -3.414  -3.414
  223   2HA   GLY  33          1HA       GLY  33   1.218  -1.681  -1.681
  224    H    ASN  34           H        ASN  34  -0.340  -0.581  -0.581
  225    HA   ASN  34           HA       ASN  34  -1.985  -1.707  -1.707
  226   1HB   ASN  34          2HB       ASN  34  -3.010  -2.097  -2.097
  227   2HB   ASN  34          1HB       ASN  34  -3.271  -0.369  -0.369
  228   1HD2  ASN  34          1HD2      ASN  34  -6.462  -1.588  -1.588
  229   2HD2  ASN  34          2HD2      ASN  34  -5.476  -1.441  -1.441
  230    H    GLY  35           H        GLY  35  -1.367   1.056   1.056
  231   1HA   GLY  35          2HA       GLY  35  -0.614   2.979   2.979
  232   2HA   GLY  35          1HA       GLY  35  -2.381   2.971   2.971
  233    H    PHE  36           H        PHE  36  -3.227   4.611   4.611
  234    HA   PHE  36           HA       PHE  36  -1.948   5.964   5.964
  235   1HB   PHE  36          2HB       PHE  36  -4.510   6.959   6.959
  236   2HB   PHE  36          1HB       PHE  36  -3.264   7.593   7.593
  237    HD1  PHE  36           HD1      PHE  36  -5.348   4.440   4.440
  238    HD2  PHE  36           HD2      PHE  36  -4.381   8.153   8.153
  239    HE1  PHE  36           HE1      PHE  36  -6.952   3.922   3.922
  240    HE2  PHE  36           HE2      PHE  36  -6.012   7.638   7.638
  241    HZ   PHE  36           HZ       PHE  36  -7.305   5.526   5.526
  242    H    TRP  37           H        TRP  37  -3.094   6.423   6.423
  243    HA   TRP  37           HA       TRP  37  -4.029   3.990   3.990
  244   1HB   TRP  37          2HB       TRP  37  -4.755   5.592   5.592
  245   2HB   TRP  37          1HB       TRP  37  -3.136   5.951   5.951
  246    HD1  TRP  37           HD1      TRP  37  -2.875   8.236   8.236
  247    HE1  TRP  37           HE1      TRP  37  -4.240  10.517  10.517
  248    HE3  TRP  37           HE3      TRP  37  -7.075   6.452   6.452
  249    HZ2  TRP  37           HZ2      TRP  37  -6.863  11.226  11.226
  250    HZ3  TRP  37           HZ3      TRP  37  -8.967   7.993   7.993
  251    HH2  TRP  37           HH2      TRP  37  -8.860  10.350  10.350
  252    HXT  TRP  37           HXT      TRP  37  -7.381   3.952   3.952

  Start of MODEL    6
    1   1H    LYS   1          3H        LYS   1  10.154   2.383   2.383
    2   2H    LYS   1          1H        LYS   1   9.949   3.405   3.405
    3   3H    LYS   1          2H        LYS   1  10.087   4.048   4.048
    4    HA   LYS   1           HA       LYS   1   7.864   4.206   4.206
    5   1HB   LYS   1          1HB       LYS   1   8.452   2.174   2.174
    6   2HB   LYS   1          2HB       LYS   1   7.183   1.515   1.515
    7   1HG   LYS   1          1HG       LYS   1   6.135   4.054   4.054
    8   2HG   LYS   1          2HG       LYS   1   7.124   3.966   3.966
    9   1HD   LYS   1          1HD       LYS   1   4.637   3.240   3.240
   10   2HD   LYS   1          2HD       LYS   1   5.813   2.116   2.116
   11   1HE   LYS   1          1HE       LYS   1   5.818   1.196   1.196
   12   2HE   LYS   1          2HE       LYS   1   4.148   1.775   1.775
   13   1HZ   LYS   1          1HZ       LYS   1   4.183   0.545   0.545
   14   2HZ   LYS   1          2HZ       LYS   1   5.476  -0.300  -0.300
   15   3HZ   LYS   1          3HZ       LYS   1   3.977  -0.322  -0.322
   16    H    TYR   2           H        TYR   2   5.984   2.615   2.615
   17    HA   TYR   2           HA       TYR   2   4.975   1.561   1.561
   18   1HB   TYR   2          1HB       TYR   2   7.197  -0.049  -0.049
   19   2HB   TYR   2          2HB       TYR   2   7.653   0.761   0.761
   20    HD1  TYR   2           HD1      TYR   2   5.572   0.935   0.935
   21    HD2  TYR   2           HD2      TYR   2   6.060  -2.097  -2.097
   22    HE1  TYR   2           HE1      TYR   2   4.170  -0.613  -0.613
   23    HE2  TYR   2           HE2      TYR   2   4.669  -3.630  -3.630
   24    HH   TYR   2           HH       TYR   2   2.635  -2.915  -2.915
   25    H    TYR   3           H        TYR   3   4.263   3.375   3.375
   26    HA   TYR   3           HA       TYR   3   6.088   5.371   5.371
   27   1HB   TYR   3          2HB       TYR   3   3.000   5.286   5.286
   28   2HB   TYR   3          1HB       TYR   3   3.855   6.669   6.669
   29    HD1  TYR   3           HD2      TYR   3   4.500   4.305   4.305
   30    HD2  TYR   3           HD1      TYR   3   3.812   8.389   8.389
   31    HE1  TYR   3           HE2      TYR   3   4.884   5.024   5.024
   32    HE2  TYR   3           HE1      TYR   3   4.199   9.099   9.099
   33    HH   TYR   3           HH       TYR   3   5.649   7.955   7.955
   34    H    GLY   4           H        GLY   4   2.950   4.953   4.953
   35   1HA   GLY   4          2HA       GLY   4   4.465   4.961   4.961
   36   2HA   GLY   4          1HA       GLY   4   2.723   5.228   5.228
   37    H    ASN   5           H        ASN   5   1.436   3.750   3.750
   38    HA   ASN   5           HA       ASN   5   2.550   1.208   1.208
   39   1HB   ASN   5          1HB       ASN   5  -0.227   2.502   2.502
   40   2HB   ASN   5          2HB       ASN   5  -0.182   0.791   0.791
   41   1HD2  ASN   5          1HD2      ASN   5  -0.021   3.130   3.130
   42   2HD2  ASN   5          2HD2      ASN   5  -0.934   3.356   3.356
   43    H    GLY   6           H        GLY   6   1.758   2.090   2.090
   44   1HA   GLY   6          1HA       GLY   6   2.154  -0.197  -0.197
   45   2HA   GLY   6          2HA       GLY   6   0.620  -0.674  -0.674
   46    H    VAL   7           H        VAL   7   1.799   2.461   2.461
   47    HA   VAL   7           HA       VAL   7  -0.658   2.560   2.560
   48    HB   VAL   7           HB       VAL   7   1.142   4.790   4.790
   49   1HG1  VAL   7          2HG2      VAL   7   0.167   5.406   5.406
   50   2HG1  VAL   7          3HG2      VAL   7  -1.452   5.270   5.270
   51   3HG1  VAL   7          1HG2      VAL   7  -0.321   6.501   6.501
   52   1HG2  VAL   7          3HG1      VAL   7  -0.625   3.791   3.791
   53   2HG2  VAL   7          1HG1      VAL   7  -0.695   5.552   5.552
   54   3HG2  VAL   7          2HG1      VAL   7  -1.870   4.467   4.467
   55    H    HIS   8           H        HIS   8  -0.040   1.530   1.530
   56    HA   HIS   8           HA       HIS   8   2.609   2.409   2.409
   57   1HB   HIS   8          1HB       HIS   8   1.001   0.109   0.109
   58   2HB   HIS   8          2HB       HIS   8   2.699   0.108   0.108
   59    HD1  HIS   8           HD1      HIS   8  -0.592  -1.329  -1.329
   60    HD2  HIS   8           HD2      HIS   8   3.104   0.077   0.077
   61    HE1  HIS   8           HE1      HIS   8  -0.329  -2.305  -2.305
   62    HE2  HIS   8           HE2      HIS   8   1.891  -1.524  -1.524
   63    H    CYS   9           H        CYS   9   1.494   4.398   4.398
   64    HA   CYS   9           HA       CYS   9  -0.389   4.433   4.433
   65   1HB   CYS   9          1HB       CYS   9   0.040   6.308   6.308
   66   2HB   CYS   9          2HB       CYS   9   1.518   6.706   6.706
   67    H    THR  10           H        THR  10  -0.149   4.631   4.631
   68    HA   THR  10           HA       THR  10   2.539   5.032   5.032
   69    HB   THR  10           HB       THR  10   2.456   2.698   2.698
   70    HG1  THR  10           HG1      THR  10   1.515   1.093   1.093
   71   1HG2  THR  10          3HG2      THR  10   3.161   2.677   2.677
   72   2HG2  THR  10          1HG2      THR  10   3.672   1.455   1.455
   73   3HG2  THR  10          2HG2      THR  10   4.284   3.104   3.104
   74    H    LYS  11           H        LYS  11   0.671   2.869   2.869
   75    HA   LYS  11           HA       LYS  11  -0.366   5.319   5.319
   76   1HB   LYS  11          1HB       LYS  11  -0.098   3.857   3.857
   77   2HB   LYS  11          2HB       LYS  11   1.421   4.262   4.262
   78   1HG   LYS  11          1HG       LYS  11   1.921   2.018   2.018
   79   2HG   LYS  11          2HG       LYS  11   0.493   1.779   1.779
   80   1HD   LYS  11          1HD       LYS  11  -0.723   1.720   1.720
   81   2HD   LYS  11          2HD       LYS  11   0.921   1.339   1.339
   82   1HE   LYS  11          1HE       LYS  11  -0.477  -0.745  -0.745
   83   2HE   LYS  11          2HE       LYS  11   1.089  -0.637  -0.637
   84   1HZ   LYS  11          3HZ       LYS  11  -1.236   0.646   0.646
   85   2HZ   LYS  11          1HZ       LYS  11  -1.080  -1.027  -1.027
   86   3HZ   LYS  11          2HZ       LYS  11   0.131  -0.040  -0.040
   87    H    SER  12           H        SER  12  -1.649   3.681   3.681
   88    HA   SER  12           HA       SER  12  -4.165   3.306   3.306
   89   1HB   SER  12          1HB       SER  12  -4.811   1.242   1.242
   90   2HB   SER  12          2HB       SER  12  -3.331   0.975   0.975
   91    HG   SER  12           HG       SER  12  -3.083   1.894   1.894
   92    H    GLY  13           H        GLY  13  -2.931   5.304   5.304
   93   1HA   GLY  13          2HA       GLY  13  -4.077   6.823   6.823
   94   2HA   GLY  13          1HA       GLY  13  -5.474   5.725   5.725
   95    H    CYS  14           H        CYS  14  -3.804   7.121   7.121
   96    HA   CYS  14           HA       CYS  14  -2.001   5.198   5.198
   97   1HB   CYS  14          1HB       CYS  14  -3.647   7.396   7.396
   98   2HB   CYS  14          2HB       CYS  14  -2.125   6.691   6.691
   99    H    SER  15           H        SER  15  -2.508   3.252   3.252
  100    HA   SER  15           HA       SER  15  -5.325   2.754   2.754
  101   1HB   SER  15          1HB       SER  15  -4.753   1.580   1.580
  102   2HB   SER  15          2HB       SER  15  -3.395   0.768   0.768
  103    HG   SER  15           HG       SER  15  -5.254   0.115   0.115
  104    H    VAL  16           H        VAL  16  -4.780   3.456   3.456
  105    HA   VAL  16           HA       VAL  16  -2.683   2.083   2.083
  106    HB   VAL  16           HB       VAL  16  -5.232   3.618   3.618
  107   1HG1  VAL  16          2HG2      VAL  16  -2.791   2.843   2.843
  108   2HG1  VAL  16          3HG2      VAL  16  -4.005   4.033   4.033
  109   3HG1  VAL  16          1HG2      VAL  16  -4.479   2.332   2.332
  110   1HG2  VAL  16          1HG1      VAL  16  -3.694   5.201   5.201
  111   2HG2  VAL  16          2HG1      VAL  16  -3.745   5.589   5.589
  112   3HG2  VAL  16          3HG1      VAL  16  -2.350   4.755   4.755
  113    H    ASN  17           H        ASN  17  -2.700   0.017   0.017
  114    HA   ASN  17           HA       ASN  17  -5.093  -1.664  -1.664
  115   1HB   ASN  17          2HB       ASN  17  -2.182  -2.034  -2.034
  116   2HB   ASN  17          1HB       ASN  17  -2.743  -2.887  -2.887
  117   1HD2  ASN  17          1HD2      ASN  17  -4.702  -5.184  -5.184
  118   2HD2  ASN  17          2HD2      ASN  17  -4.981  -4.156  -4.156
  119    H    TRP  18           H        TRP  18  -6.471  -0.985  -0.985
  120    HA   TRP  18           HA       TRP  18  -5.796   0.014   0.014
  121   1HB   TRP  18          2HB       TRP  18  -8.318  -1.079  -1.079
  122   2HB   TRP  18          1HB       TRP  18  -8.384  -0.917  -0.917
  123    HD1  TRP  18           HD1      TRP  18  -9.141   0.980   0.980
  124    HE1  TRP  18           HE1      TRP  18  -9.197   3.626   3.626
  125    HE3  TRP  18           HE3      TRP  18  -6.803   1.107   1.107
  126    HZ2  TRP  18           HZ2      TRP  18  -8.245   5.370   5.370
  127    HZ3  TRP  18           HZ3      TRP  18  -6.304   3.302   3.302
  128    HH2  TRP  18           HH2      TRP  18  -7.070   5.399   5.399
  129    H    GLY  19           H        GLY  19  -5.921  -3.239  -3.239
  130   1HA   GLY  19          1HA       GLY  19  -6.379  -4.401  -4.401
  131   2HA   GLY  19          2HA       GLY  19  -5.977  -5.309  -5.309
  132    H    GLU  20           H        GLU  20  -3.675  -3.933  -3.933
  133    HA   GLU  20           HA       GLU  20  -1.692  -5.184  -5.184
  134   1HB   GLU  20          1HB       GLU  20  -1.708  -3.459  -3.459
  135   2HB   GLU  20          2HB       GLU  20  -0.249  -3.332  -3.332
  136   1HG   GLU  20          1HG       GLU  20   0.182  -5.016  -5.016
  137   2HG   GLU  20          2HG       GLU  20   0.064  -5.893  -5.893
  138    HE2  GLU  20           HE2      GLU  20  -1.908  -8.103  -8.103
  139    H    ALA  21           H        ALA  21  -3.236  -2.154  -2.154
  140    HA   ALA  21           HA       ALA  21  -1.174  -0.844  -0.844
  141   1HB   ALA  21          2HB       ALA  21  -2.518   0.508   0.508
  142   2HB   ALA  21          3HB       ALA  21  -4.033   0.034   0.034
  143   3HB   ALA  21          1HB       ALA  21  -2.855   1.067   1.067
  144    H    PHE  22           H        PHE  22  -4.319  -2.387  -2.387
  145    HA   PHE  22           HA       PHE  22  -4.786  -1.929  -1.929
  146   1HB   PHE  22          1HB       PHE  22  -6.288  -3.203  -3.203
  147   2HB   PHE  22          2HB       PHE  22  -5.307  -4.607  -4.607
  148    HD1  PHE  22           HD1      PHE  22  -6.586  -2.091  -2.091
  149    HD2  PHE  22           HD2      PHE  22  -6.776  -6.136  -6.136
  150    HE1  PHE  22           HE1      PHE  22  -8.078  -2.684  -2.684
  151    HE2  PHE  22           HE2      PHE  22  -8.281  -6.720  -6.720
  152    HZ   PHE  22           HZ       PHE  22  -8.938  -4.996  -4.996
  153    H    SER  23           H        SER  23  -3.177  -4.654  -4.654
  154    HA   SER  23           HA       SER  23  -2.119  -5.812  -5.812
  155   1HB   SER  23          1HB       SER  23  -0.478  -6.078  -6.078
  156   2HB   SER  23          2HB       SER  23  -0.917  -7.322  -7.322
  157    HG   SER  23           HG       SER  23  -2.448  -7.810  -7.810
  158    H    ALA  24           H        ALA  24  -0.892  -3.375  -3.375
  159    HA   ALA  24           HA       ALA  24   1.692  -2.945  -2.945
  160   1HB   ALA  24          2HB       ALA  24   0.795  -1.716  -1.716
  161   2HB   ALA  24          3HB       ALA  24  -0.351  -0.820  -0.820
  162   3HB   ALA  24          1HB       ALA  24   1.401  -0.553  -0.553
  163    H    GLY  25           H        GLY  25  -1.436  -1.644  -1.644
  164   1HA   GLY  25          1HA       GLY  25   0.029  -0.551  -0.551
  165   2HA   GLY  25          2HA       GLY  25  -1.638  -0.124  -0.124
  166    H    VAL  26           H        VAL  26  -1.424  -3.449  -3.449
  167    HA   VAL  26           HA       VAL  26  -2.392  -4.086  -4.086
  168    HB   VAL  26           HB       VAL  26  -1.238  -5.903  -5.903
  169   1HG1  VAL  26          1HG1      VAL  26  -3.053  -6.780  -6.780
  170   2HG1  VAL  26          2HG1      VAL  26  -2.557  -7.814  -7.814
  171   3HG1  VAL  26          3HG1      VAL  26  -1.346  -7.221  -7.221
  172   1HG2  VAL  26          2HG2      VAL  26  -3.292  -4.709  -4.709
  173   2HG2  VAL  26          3HG2      VAL  26  -3.565  -6.449  -6.449
  174   3HG2  VAL  26          1HG2      VAL  26  -4.251  -5.340  -5.340
  175    H    HIS  27           H        HIS  27   0.488  -4.300  -4.300
  176    HA   HIS  27           HA       HIS  27   2.291  -4.938  -4.938
  177   1HB   HIS  27          2HB       HIS  27   2.529  -3.795  -3.795
  178   2HB   HIS  27          1HB       HIS  27   3.978  -3.776  -3.776
  179    HD1  HIS  27           HD1      HIS  27   1.321  -6.703  -6.703
  180    HD2  HIS  27           HD2      HIS  27   5.466  -5.561  -5.561
  181    HE1  HIS  27           HE1      HIS  27   2.687  -8.699  -8.699
  182    HE2  HIS  27           HE2      HIS  27   5.245  -8.143  -8.143
  183    H    ARG  28           H        ARG  28   0.987  -1.928  -1.928
  184    HA   ARG  28           HA       ARG  28   2.652  -0.454  -0.454
  185   1HB   ARG  28          1HB       ARG  28   1.374   0.206   0.206
  186   2HB   ARG  28          2HB       ARG  28   0.541   1.165   1.165
  187   1HG   ARG  28          2HG       ARG  28   3.592   1.146   1.146
  188   2HG   ARG  28          1HG       ARG  28   2.475   2.452   2.452
  189   1HD   ARG  28          1HD       ARG  28   2.858   1.527   1.527
  190   2HD   ARG  28          2HD       ARG  28   3.944   2.718   2.718
  191    HE   ARG  28           HE       ARG  28   1.276   3.565   3.565
  192   1HH1  ARG  28          2HH1      ARG  28   3.170   3.171   3.171
  193   2HH1  ARG  28          1HH1      ARG  28   2.233   4.488   4.488
  194   1HH2  ARG  28          1HH2      ARG  28   0.305   4.973   4.973
  195   2HH2  ARG  28          2HH2      ARG  28   0.674   5.471   5.471
  196    H    LEU  29           H        LEU  29  -0.084  -2.272  -2.272
  197    HA   LEU  29           HA       LEU  29  -1.411  -0.514  -0.514
  198   1HB   LEU  29          2HB       LEU  29  -3.084  -1.617  -1.617
  199   2HB   LEU  29          1HB       LEU  29  -2.058  -2.969  -2.969
  200    HG   LEU  29           HG       LEU  29  -2.736  -4.301  -4.301
  201   1HD1  LEU  29          2HD1      LEU  29  -2.043  -2.797  -2.797
  202   2HD1  LEU  29          3HD1      LEU  29  -3.533  -1.840  -1.840
  203   3HD1  LEU  29          1HD1      LEU  29  -3.620  -3.547  -3.547
  204   1HD2  LEU  29          2HD2      LEU  29  -5.153  -2.392  -2.392
  205   2HD2  LEU  29          3HD2      LEU  29  -4.749  -3.813  -3.813
  206   3HD2  LEU  29          1HD2      LEU  29  -5.231  -4.038  -4.038
  207    H    ALA  30           H        ALA  30   0.293  -3.598  -3.598
  208    HA   ALA  30           HA       ALA  30   0.510  -3.887  -3.887
  209   1HB   ALA  30          2HB       ALA  30   0.696  -5.821  -5.821
  210   2HB   ALA  30          3HB       ALA  30   2.176  -5.123  -5.123
  211   3HB   ALA  30          1HB       ALA  30   2.165  -5.694  -5.694
  212    H    ASN  31           H        ASN  31   3.347  -3.816  -3.816
  213    HA   ASN  31           HA       ASN  31   5.446  -2.745  -2.745
  214   1HB   ASN  31          2HB       ASN  31   4.226  -1.244  -1.244
  215   2HB   ASN  31          1HB       ASN  31   3.373  -0.468  -0.468
  216   1HD2  ASN  31          1HD2      ASN  31   6.916   1.028   1.028
  217   2HD2  ASN  31          2HD2      ASN  31   6.240  -0.517  -0.517
  218    H    GLY  32           H        GLY  32   4.730  -3.823  -3.823
  219   1HA   GLY  32          2HA       GLY  32   4.613  -1.661  -1.661
  220   2HA   GLY  32          1HA       GLY  32   4.227  -3.378  -3.378
  221    H    GLY  33           H        GLY  33   6.974  -2.020  -2.020
  222   1HA   GLY  33          1HA       GLY  33   8.807  -3.037  -3.037
  223   2HA   GLY  33          2HA       GLY  33   9.252  -3.158  -3.158
  224    H    ASN  34           H        ASN  34   7.586  -0.294  -0.294
  225    HA   ASN  34           HA       ASN  34  10.079   1.186   1.186
  226   1HB   ASN  34          1HB       ASN  34   7.339   1.628   1.628
  227   2HB   ASN  34          2HB       ASN  34   7.615   2.745   2.745
  228   1HD2  ASN  34          1HD2      ASN  34   8.779   5.109   5.109
  229   2HD2  ASN  34          2HD2      ASN  34   7.969   4.750   4.750
  230    H    GLY  35           H        GLY  35   7.794   1.360   1.360
  231   1HA   GLY  35          2HA       GLY  35   9.752   1.640   1.640
  232   2HA   GLY  35          1HA       GLY  35   9.578   3.284   3.284
  233    H    PHE  36           H        PHE  36   8.708   4.107   4.107
  234    HA   PHE  36           HA       PHE  36   6.570   2.998   2.998
  235   1HB   PHE  36          2HB       PHE  36   7.997   5.419   5.419
  236   2HB   PHE  36          1HB       PHE  36   6.446   5.996   5.996
  237    HD1  PHE  36           HD2      PHE  36   5.141   3.537   3.537
  238    HD2  PHE  36           HD1      PHE  36   7.677   6.960   6.960
  239    HE1  PHE  36           HE2      PHE  36   4.384   3.722   3.722
  240    HE2  PHE  36           HE1      PHE  36   6.920   7.136   7.136
  241    HZ   PHE  36           HZ       PHE  36   5.278   5.516   5.516
  242    H    TRP  37           H        TRP  37   4.528   2.733   2.733
  243    HA   TRP  37           HA       TRP  37   2.773   4.200   4.200
  244   1HB   TRP  37          2HB       TRP  37   4.241   2.562   2.562
  245   2HB   TRP  37          1HB       TRP  37   3.316   1.259   1.259
  246    HD1  TRP  37           HD1      TRP  37   2.567   4.666   4.666
  247    HE1  TRP  37           HE1      TRP  37   0.471   4.396   4.396
  248    HE3  TRP  37           HE3      TRP  37   1.511  -0.160  -0.160
  249    HZ2  TRP  37           HZ2      TRP  37  -1.286   2.224   2.224
  250    HZ3  TRP  37           HZ3      TRP  37  -0.298  -1.344  -1.344
  251    HH2  TRP  37           HH2      TRP  37  -1.769  -0.131  -0.131
  252    HXT  TRP  37           HXT      TRP  37   0.347   1.933   1.933

  Start of MODEL    7
    1   1H    LYS   1          2H        LYS   1   8.582  -0.725  -0.725
    2   2H    LYS   1          3H        LYS   1   9.919   0.083   0.083
    3   3H    LYS   1          1H        LYS   1  10.125  -1.102  -1.102
    4    HA   LYS   1           HA       LYS   1  10.326   0.694   0.694
    5   1HB   LYS   1          1HB       LYS   1   9.392   2.861   2.861
    6   2HB   LYS   1          2HB       LYS   1   9.858   2.202   2.202
    7   1HG   LYS   1          1HG       LYS   1   6.977   1.861   1.861
    8   2HG   LYS   1          2HG       LYS   1   7.473   3.340   3.340
    9   1HD   LYS   1          1HD       LYS   1   7.532   2.265   2.265
   10   2HD   LYS   1          2HD       LYS   1   8.069   0.716   0.716
   11   1HE   LYS   1          1HE       LYS   1   5.359   1.539   1.539
   12   2HE   LYS   1          2HE       LYS   1   5.381   1.323   1.323
   13   1HZ   LYS   1          1HZ       LYS   1   6.663  -0.682  -0.682
   14   2HZ   LYS   1          2HZ       LYS   1   5.006  -0.712  -0.712
   15   3HZ   LYS   1          3HZ       LYS   1   6.085  -0.861  -0.861
   16    H    TYR   2           H        TYR   2   9.301   1.311   1.311
   17    HA   TYR   2           HA       TYR   2   6.368   0.537   0.537
   18   1HB   TYR   2          1HB       TYR   2   8.342  -1.266  -1.266
   19   2HB   TYR   2          2HB       TYR   2   8.262  -0.269  -0.269
   20    HD1  TYR   2           HD1      TYR   2   6.286  -2.640  -2.640
   21    HD2  TYR   2           HD2      TYR   2   6.370  -0.291  -0.291
   22    HE1  TYR   2           HE1      TYR   2   4.343  -3.888  -3.888
   23    HE2  TYR   2           HE2      TYR   2   4.432  -1.535  -1.535
   24    HH   TYR   2           HH       TYR   2   3.481  -4.359  -4.359
   25    H    TYR   3           H        TYR   3   5.730   2.543   2.543
   26    HA   TYR   3           HA       TYR   3   7.189   4.586   4.586
   27   1HB   TYR   3          1HB       TYR   3   4.162   4.242   4.242
   28   2HB   TYR   3          2HB       TYR   3   4.739   5.606   5.606
   29    HD1  TYR   3           HD1      TYR   3   7.191   4.821   4.821
   30    HD2  TYR   3           HD2      TYR   3   3.410   6.758   6.758
   31    HE1  TYR   3           HE1      TYR   3   7.512   6.170   6.170
   32    HE2  TYR   3           HE2      TYR   3   3.744   8.100   8.100
   33    HH   TYR   3           HH       TYR   3   6.126   8.852   8.852
   34    H    GLY   4           H        GLY   4   4.137   3.111   3.111
   35   1HA   GLY   4          2HA       GLY   4   5.228   2.947   2.947
   36   2HA   GLY   4          1HA       GLY   4   3.896   4.090   4.090
   37    H    ASN   5           H        ASN   5   1.964   3.430   3.430
   38    HA   ASN   5           HA       ASN   5   1.444   0.562   0.562
   39   1HB   ASN   5          1HB       ASN   5  -0.319   3.087   3.087
   40   2HB   ASN   5          2HB       ASN   5  -1.074   1.527   1.527
   41   1HD2  ASN   5          1HD2      ASN   5  -0.799   2.943   2.943
   42   2HD2  ASN   5          2HD2      ASN   5  -1.747   3.239   3.239
   43    H    GLY   6           H        GLY   6   1.970  -0.624  -0.624
   44   1HA   GLY   6          2HA       GLY   6   1.541  -1.745  -1.745
   45   2HA   GLY   6          1HA       GLY   6  -0.167  -1.441  -1.441
   46    H    VAL   7           H        VAL   7   2.133   1.175   1.175
   47    HA   VAL   7           HA       VAL   7   0.397   2.022   2.022
   48    HB   VAL   7           HB       VAL   7   2.286   3.574   3.574
   49   1HG1  VAL   7          1HG1      VAL   7   0.745   4.853   4.853
   50   2HG1  VAL   7          2HG1      VAL   7   1.607   5.740   5.740
   51   3HG1  VAL   7          3HG1      VAL   7   2.514   4.740   4.740
   52   1HG2  VAL   7          2HG2      VAL   7  -0.016   3.119   3.119
   53   2HG2  VAL   7          3HG2      VAL   7   0.283   4.846   4.846
   54   3HG2  VAL   7          1HG2      VAL   7  -0.760   3.971   3.971
   55    H    HIS   8           H        HIS   8   1.237   0.739   0.739
   56    HA   HIS   8           HA       HIS   8   4.126   1.429   1.429
   57   1HB   HIS   8          1HB       HIS   8   2.668  -0.696  -0.696
   58   2HB   HIS   8          2HB       HIS   8   4.235  -0.831  -0.831
   59    HD1  HIS   8           HD1      HIS   8   0.402  -1.116  -1.116
   60    HD2  HIS   8           HD2      HIS   8   4.421  -2.163  -2.163
   61    HE1  HIS   8           HE1      HIS   8   0.313  -2.757  -2.757
   62    HE2  HIS   8           HE2      HIS   8   2.704  -3.485  -3.485
   63    H    CYS   9           H        CYS   9   3.959   3.325   3.325
   64    HA   CYS   9           HA       CYS   9   1.889   3.521   3.521
   65   1HB   CYS   9          1HB       CYS   9   3.164   5.605   5.605
   66   2HB   CYS   9          2HB       CYS   9   2.384   6.120   6.120
   67    H    THR  10           H        THR  10   2.559   5.436   5.436
   68    HA   THR  10           HA       THR  10   3.881   5.920   5.920
   69    HB   THR  10           HB       THR  10   6.532   6.011   6.011
   70    HG1  THR  10           HG1      THR  10   6.612   6.546   6.546
   71   1HG2  THR  10          3HG2      THR  10   4.474   8.093   8.093
   72   2HG2  THR  10          1HG2      THR  10   6.230   8.356   8.356
   73   3HG2  THR  10          2HG2      THR  10   5.256   8.132   8.132
   74    H    LYS  11           H        LYS  11   3.230   3.987   3.987
   75    HA   LYS  11           HA       LYS  11   5.623   2.670   2.670
   76   1HB   LYS  11          1HB       LYS  11   3.922   1.169   1.169
   77   2HB   LYS  11          2HB       LYS  11   4.464   0.267   0.267
   78   1HG   LYS  11          1HG       LYS  11   6.684   1.873   1.873
   79   2HG   LYS  11          2HG       LYS  11   5.943   0.748   0.748
   80   1HD   LYS  11          1HD       LYS  11   7.747  -0.456  -0.456
   81   2HD   LYS  11          2HD       LYS  11   6.338  -1.066  -1.066
   82   1HE   LYS  11          1HE       LYS  11   7.551  -0.467  -0.467
   83   2HE   LYS  11          2HE       LYS  11   6.931   1.159   1.159
   84   1HZ   LYS  11          1HZ       LYS  11   9.002   1.171   1.171
   85   2HZ   LYS  11          2HZ       LYS  11   9.588   0.067   0.067
   86   3HZ   LYS  11          3HZ       LYS  11   9.123   1.605   1.605
   87    H    SER  12           H        SER  12   2.423   1.355   1.355
   88    HA   SER  12           HA       SER  12   1.765   1.976   1.976
   89   1HB   SER  12          1HB       SER  12   0.363  -0.098  -0.098
   90   2HB   SER  12          2HB       SER  12   2.052  -0.484  -0.484
   91    HG   SER  12           HG       SER  12  -0.128  -0.491  -0.491
   92    H    GLY  13           H        GLY  13   1.114   2.921   2.921
   93   1HA   GLY  13          2HA       GLY  13  -1.042   4.575   4.575
   94   2HA   GLY  13          1HA       GLY  13  -1.929   3.038   3.038
   95    H    CYS  14           H        CYS  14  -0.619   5.447   5.447
   96    HA   CYS  14           HA       CYS  14   0.185   3.939   3.939
   97   1HB   CYS  14          1HB       CYS  14   1.008   6.194   6.194
   98   2HB   CYS  14          2HB       CYS  14  -0.562   6.866   6.866
   99    H    SER  15           H        SER  15  -0.778   3.109   3.109
  100    HA   SER  15           HA       SER  15  -3.525   3.794   3.794
  101   1HB   SER  15          1HB       SER  15  -4.481   2.754   2.754
  102   2HB   SER  15          2HB       SER  15  -3.216   1.547   1.547
  103    HG   SER  15           HG       SER  15  -5.422   1.630   1.630
  104    H    VAL  16           H        VAL  16  -4.070   3.011   3.011
  105    HA   VAL  16           HA       VAL  16  -1.751   1.802   1.802
  106    HB   VAL  16           HB       VAL  16  -3.594   3.684   3.684
  107   1HG1  VAL  16          1HG1      VAL  16  -4.964   1.149   1.149
  108   2HG1  VAL  16          2HG1      VAL  16  -5.327   2.832   2.832
  109   3HG1  VAL  16          3HG1      VAL  16  -5.672   2.286   2.286
  110   1HG2  VAL  16          2HG2      VAL  16  -1.631   2.998   2.998
  111   2HG2  VAL  16          3HG2      VAL  16  -3.091   3.333   3.333
  112   3HG2  VAL  16          1HG2      VAL  16  -2.592   1.647   1.647
  113    H    ASN  17           H        ASN  17  -2.149   0.266   0.266
  114    HA   ASN  17           HA       ASN  17  -4.058  -1.962  -1.962
  115   1HB   ASN  17          1HB       ASN  17  -1.567  -2.488  -2.488
  116   2HB   ASN  17          2HB       ASN  17  -1.239  -2.358  -2.358
  117   1HD2  ASN  17          1HD2      ASN  17  -1.652  -5.913  -5.913
  118   2HD2  ASN  17          2HD2      ASN  17  -0.409  -4.544  -4.544
  119    H    TRP  18           H        TRP  18  -5.455  -0.780  -0.780
  120    HA   TRP  18           HA       TRP  18  -5.042  -0.095  -0.095
  121   1HB   TRP  18          1HB       TRP  18  -7.504  -0.829  -0.829
  122   2HB   TRP  18          2HB       TRP  18  -7.746  -0.638  -0.638
  123    HD1  TRP  18           HD1      TRP  18  -7.926   1.408   1.408
  124    HE1  TRP  18           HE1      TRP  18  -7.637   4.023   4.023
  125    HE3  TRP  18           HE3      TRP  18  -5.987   1.053   1.053
  126    HZ2  TRP  18           HZ2      TRP  18  -6.531   5.537   5.537
  127    HZ3  TRP  18           HZ3      TRP  18  -5.440   3.130   3.130
  128    HH2  TRP  18           HH2      TRP  18  -5.768   5.345   5.345
  129    H    GLY  19           H        GLY  19  -5.386  -3.276  -3.276
  130   1HA   GLY  19          1HA       GLY  19  -6.240  -4.508  -4.508
  131   2HA   GLY  19          2HA       GLY  19  -5.576  -5.374  -5.374
  132    H    GLU  20           H        GLU  20  -3.227  -4.321  -4.321
  133    HA   GLU  20           HA       GLU  20  -1.509  -5.260  -5.260
  134   1HB   GLU  20          1HB       GLU  20  -1.251  -4.024  -4.024
  135   2HB   GLU  20          2HB       GLU  20  -0.056  -3.332  -3.332
  136   1HG   GLU  20          1HG       GLU  20   1.118  -5.151  -5.151
  137   2HG   GLU  20          2HG       GLU  20   0.689  -5.816  -5.816
  138    HE2  GLU  20           HE2      GLU  20  -0.197  -7.769  -7.769
  139    H    ALA  21           H        ALA  21  -3.230  -2.371  -2.371
  140    HA   ALA  21           HA       ALA  21  -1.284  -0.809  -0.809
  141   1HB   ALA  21          2HB       ALA  21  -2.592   0.342   0.342
  142   2HB   ALA  21          3HB       ALA  21  -4.127  -0.128  -0.128
  143   3HB   ALA  21          1HB       ALA  21  -3.034   1.021   1.021
  144    H    PHE  22           H        PHE  22  -4.323  -2.538  -2.538
  145    HA   PHE  22           HA       PHE  22  -4.776  -1.855  -1.855
  146   1HB   PHE  22          1HB       PHE  22  -6.251  -3.231  -3.231
  147   2HB   PHE  22          2HB       PHE  22  -5.580  -4.601  -4.601
  148    HD1  PHE  22           HD2      PHE  22  -5.906  -4.598  -4.598
  149    HD2  PHE  22           HD1      PHE  22  -8.247  -2.247  -2.247
  150    HE1  PHE  22           HE2      PHE  22  -7.755  -4.536  -4.536
  151    HE2  PHE  22           HE1      PHE  22 -10.093  -2.199  -2.199
  152    HZ   PHE  22           HZ       PHE  22  -9.858  -3.352  -3.352
  153    H    SER  23           H        SER  23  -3.144  -4.511  -4.511
  154    HA   SER  23           HA       SER  23  -2.247  -5.840  -5.840
  155   1HB   SER  23          1HB       SER  23  -1.272  -5.888  -5.888
  156   2HB   SER  23          2HB       SER  23  -0.321  -6.702  -6.702
  157    HG   SER  23           HG       SER  23  -3.107  -7.186  -7.186
  158    H    ALA  24           H        ALA  24  -0.800  -3.382  -3.382
  159    HA   ALA  24           HA       ALA  24   1.620  -3.066  -3.066
  160   1HB   ALA  24          2HB       ALA  24   1.377  -2.168  -2.168
  161   2HB   ALA  24          3HB       ALA  24   0.127  -1.023  -1.023
  162   3HB   ALA  24          1HB       ALA  24   1.805  -0.851  -0.851
  163    H    GLY  25           H        GLY  25  -1.626  -1.802  -1.802
  164   1HA   GLY  25          2HA       GLY  25  -0.994   0.074   0.074
  165   2HA   GLY  25          1HA       GLY  25  -2.616  -0.431  -0.431
  166    H    VAL  26           H        VAL  26  -1.952  -3.284  -3.284
  167    HA   VAL  26           HA       VAL  26  -2.574  -3.727  -3.727
  168    HB   VAL  26           HB       VAL  26  -1.485  -5.653  -5.653
  169   1HG1  VAL  26          1HG1      VAL  26  -2.920  -6.487  -6.487
  170   2HG1  VAL  26          2HG1      VAL  26  -2.497  -7.579  -7.579
  171   3HG1  VAL  26          3HG1      VAL  26  -1.220  -6.810  -6.810
  172   1HG2  VAL  26          2HG2      VAL  26  -3.727  -4.684  -4.684
  173   2HG2  VAL  26          3HG2      VAL  26  -3.822  -6.426  -6.426
  174   3HG2  VAL  26          1HG2      VAL  26  -4.448  -5.295  -5.295
  175    H    HIS  27           H        HIS  27   0.253  -4.521  -4.521
  176    HA   HIS  27           HA       HIS  27   2.056  -5.118  -5.118
  177   1HB   HIS  27          1HB       HIS  27   2.679  -3.394  -3.394
  178   2HB   HIS  27          2HB       HIS  27   3.868  -4.355  -4.355
  179    HD1  HIS  27           HD1      HIS  27   3.056  -4.858  -4.858
  180    HD2  HIS  27           HD2      HIS  27   1.706  -6.846  -6.846
  181    HE1  HIS  27           HE1      HIS  27   2.264  -7.169  -7.169
  182    HE2  HIS  27           HE2      HIS  27   1.410  -8.497  -8.497
  183    H    ARG  28           H        ARG  28   1.163  -1.979  -1.979
  184    HA   ARG  28           HA       ARG  28   2.915  -0.511  -0.511
  185   1HB   ARG  28          1HB       ARG  28   1.723   0.221   0.221
  186   2HB   ARG  28          2HB       ARG  28   0.380   0.667   0.667
  187   1HG   ARG  28          1HG       ARG  28   1.865   2.299   2.299
  188   2HG   ARG  28          2HG       ARG  28   3.275   1.740   1.740
  189   1HD   ARG  28          1HD       ARG  28   0.907   3.420   3.420
  190   2HD   ARG  28          2HD       ARG  28   2.654   3.743   3.743
  191    HE   ARG  28           HE       ARG  28   1.011   1.870   1.870
  192   1HH1  ARG  28          2HH1      ARG  28   4.188   3.063   3.063
  193   2HH1  ARG  28          1HH1      ARG  28   4.873   2.448   2.448
  194   1HH2  ARG  28          1HH2      ARG  28   1.822   1.235   1.235
  195   2HH2  ARG  28          2HH2      ARG  28   3.592   1.452   1.452
  196    H    LEU  29           H        LEU  29  -0.363  -1.708  -1.708
  197    HA   LEU  29           HA       LEU  29  -1.128  -0.402  -0.402
  198   1HB   LEU  29          2HB       LEU  29  -3.091  -1.322  -1.322
  199   2HB   LEU  29          1HB       LEU  29  -2.266  -2.345  -2.345
  200    HG   LEU  29           HG       LEU  29  -1.956  -4.124  -4.124
  201   1HD1  LEU  29          2HD1      LEU  29  -1.910  -2.656  -2.656
  202   2HD1  LEU  29          3HD1      LEU  29  -3.634  -2.265  -2.265
  203   3HD1  LEU  29          1HD1      LEU  29  -3.132  -3.931  -3.931
  204   1HD2  LEU  29          2HD2      LEU  29  -4.882  -3.170  -3.170
  205   2HD2  LEU  29          3HD2      LEU  29  -3.970  -4.272  -4.272
  206   3HD2  LEU  29          1HD2      LEU  29  -4.401  -4.792  -4.792
  207    H    ALA  30           H        ALA  30   0.544  -3.393  -3.393
  208    HA   ALA  30           HA       ALA  30   0.889  -3.875  -3.875
  209   1HB   ALA  30          2HB       ALA  30   0.327  -5.830  -5.830
  210   2HB   ALA  30          3HB       ALA  30   1.782  -5.529  -5.529
  211   3HB   ALA  30          1HB       ALA  30   1.935  -6.061  -6.061
  212    H    ASN  31           H        ASN  31   2.063  -1.569  -1.569
  213    HA   ASN  31           HA       ASN  31   4.875  -2.105  -2.105
  214   1HB   ASN  31          2HB       ASN  31   4.923  -1.996  -1.996
  215   2HB   ASN  31          1HB       ASN  31   4.118  -0.445  -0.445
  216   1HD2  ASN  31          1HD2      ASN  31   7.186   1.231   1.231
  217   2HD2  ASN  31          2HD2      ASN  31   5.380   1.240   1.240
  218    H    GLY  32           H        GLY  32   2.586  -1.185  -1.185
  219   1HA   GLY  32          1HA       GLY  32   3.535   1.623   1.623
  220   2HA   GLY  32          2HA       GLY  32   1.856   1.473   1.473
  221    H    GLY  33           H        GLY  33   4.206   0.056   0.056
  222   1HA   GLY  33          2HA       GLY  33   1.986  -0.859  -0.859
  223   2HA   GLY  33          1HA       GLY  33   3.726  -1.150  -1.150
  224    H    ASN  34           H        ASN  34   3.391   2.076   2.076
  225    HA   ASN  34           HA       ASN  34   4.026   3.913   3.913
  226   1HB   ASN  34          1HB       ASN  34   1.666   4.132   4.132
  227   2HB   ASN  34          2HB       ASN  34   1.559   2.646   2.646
  228   1HD2  ASN  34          1HD2      ASN  34   1.301   4.875   4.875
  229   2HD2  ASN  34          2HD2      ASN  34   0.550   3.499   3.499
  230    H    GLY  35           H        GLY  35   6.034   2.914   2.914
  231   1HA   GLY  35          2HA       GLY  35   7.297   3.314   3.314
  232   2HA   GLY  35          1HA       GLY  35   6.521   1.762   1.762
  233    H    PHE  36           H        PHE  36   9.268   2.377   2.377
  234    HA   PHE  36           HA       PHE  36  10.145   0.538   0.538
  235   1HB   PHE  36          2HB       PHE  36  10.982   2.950   2.950
  236   2HB   PHE  36          1HB       PHE  36  11.711   2.873   2.873
  237    HD1  PHE  36           HD1      PHE  36  12.074  -0.266  -0.266
  238    HD2  PHE  36           HD2      PHE  36  13.786   3.644   3.644
  239    HE1  PHE  36           HE1      PHE  36  14.151  -1.040  -1.040
  240    HE2  PHE  36           HE2      PHE  36  15.876   2.852   2.852
  241    HZ   PHE  36           HZ       PHE  36  16.066   0.508   0.508
  242    H    TRP  37           H        TRP  37  10.127  -1.316  -1.316
  243    HA   TRP  37           HA       TRP  37  11.471  -1.626  -1.626
  244   1HB   TRP  37          1HB       TRP  37  10.945  -4.100  -4.100
  245   2HB   TRP  37          2HB       TRP  37   9.524  -3.089  -3.089
  246    HD1  TRP  37           HD1      TRP  37  12.178  -4.382  -4.382
  247    HE1  TRP  37           HE1      TRP  37  10.933  -5.239  -5.239
  248    HE3  TRP  37           HE3      TRP  37   7.453  -3.329  -3.329
  249    HZ2  TRP  37           HZ2      TRP  37   8.194  -5.310  -5.310
  250    HZ3  TRP  37           HZ3      TRP  37   5.539  -3.869  -3.869
  251    HH2  TRP  37           HH2      TRP  37   5.905  -4.770  -4.770
  252    HXT  TRP  37           HXT      TRP  37  14.119  -2.070  -2.070

  Start of MODEL    8
    1   1H    LYS   1          3H        LYS   1   3.479   8.998   8.998
    2   2H    LYS   1          1H        LYS   1   4.357  10.427  10.427
    3   3H    LYS   1          2H        LYS   1   4.999   8.991   8.991
    4    HA   LYS   1           HA       LYS   1   4.315  10.103  10.103
    5   1HB   LYS   1          1HB       LYS   1   2.571  11.408  11.408
    6   2HB   LYS   1          2HB       LYS   1   1.457  10.532  10.532
    7   1HG   LYS   1          1HG       LYS   1   3.360  12.821  12.821
    8   2HG   LYS   1          2HG       LYS   1   1.673  12.593  12.593
    9   1HD   LYS   1          1HD       LYS   1   2.317  11.661  11.661
   10   2HD   LYS   1          2HD       LYS   1   3.389  10.495  10.495
   11   1HE   LYS   1          1HE       LYS   1   5.287  11.791  11.791
   12   2HE   LYS   1          2HE       LYS   1   4.489  13.279  13.279
   13   1HZ   LYS   1          2HZ       LYS   1   3.271  12.599  12.599
   14   2HZ   LYS   1          3HZ       LYS   1   4.916  12.353  12.353
   15   3HZ   LYS   1          1HZ       LYS   1   4.359  13.850  13.850
   16    H    TYR   2           H        TYR   2   4.369   8.471   8.471
   17    HA   TYR   2           HA       TYR   2   2.040   6.482   6.482
   18   1HB   TYR   2          1HB       TYR   2   4.627   5.731   5.731
   19   2HB   TYR   2          2HB       TYR   2   4.600   6.124   6.124
   20    HD1  TYR   2           HD1      TYR   2   2.793   3.918   3.918
   21    HD2  TYR   2           HD2      TYR   2   3.943   4.562   4.562
   22    HE1  TYR   2           HE1      TYR   2   1.977   1.666   1.666
   23    HE2  TYR   2           HE2      TYR   2   3.121   2.321   2.321
   24    HH   TYR   2           HH       TYR   2   1.552   0.254   0.254
   25    H    TYR   3           H        TYR   3   0.692   8.036   8.036
   26    HA   TYR   3           HA       TYR   3   1.009   9.402   9.402
   27   1HB   TYR   3          1HB       TYR   3  -1.413   8.085   8.085
   28   2HB   TYR   3          2HB       TYR   3  -1.627   8.615   8.615
   29    HD1  TYR   3           HD2      TYR   3  -0.279  10.046  10.046
   30    HD2  TYR   3           HD1      TYR   3  -2.520  10.752  10.752
   31    HE1  TYR   3           HE2      TYR   3  -0.843  12.303  12.303
   32    HE2  TYR   3           HE1      TYR   3  -3.073  13.021  13.021
   33    HH   TYR   3           HH       TYR   3  -1.513  14.601  14.601
   34    H    GLY   4           H        GLY   4   1.589   8.848   8.848
   35   1HA   GLY   4          2HA       GLY   4   2.125   6.219   6.219
   36   2HA   GLY   4          1HA       GLY   4   1.720   7.556   7.556
   37    H    ASN   5           H        ASN   5   1.163   4.601   4.601
   38    HA   ASN   5           HA       ASN   5  -0.527   3.386   3.386
   39   1HB   ASN   5          1HB       ASN   5  -1.428   5.833   5.833
   40   2HB   ASN   5          2HB       ASN   5  -2.648   5.572   5.572
   41   1HD2  ASN   5          1HD2      ASN   5  -2.908   3.470   3.470
   42   2HD2  ASN   5          2HD2      ASN   5  -1.310   4.279   4.279
   43    H    GLY   6           H        GLY   6   0.234   3.099   3.099
   44   1HA   GLY   6          2HA       GLY   6  -0.440   1.588   1.588
   45   2HA   GLY   6          1HA       GLY   6  -1.897   1.223   1.223
   46    H    VAL   7           H        VAL   7  -1.430   4.571   4.571
   47    HA   VAL   7           HA       VAL   7  -3.689   4.241   4.241
   48    HB   VAL   7           HB       VAL   7  -2.645   6.595   6.595
   49   1HG1  VAL   7          2HG2      VAL   7  -3.167   7.465   7.465
   50   2HG1  VAL   7          3HG2      VAL   7  -4.844   6.957   6.957
   51   3HG1  VAL   7          1HG2      VAL   7  -4.143   8.211   8.211
   52   1HG2  VAL   7          3HG1      VAL   7  -4.509   5.043   5.043
   53   2HG2  VAL   7          1HG1      VAL   7  -4.861   6.788   6.788
   54   3HG2  VAL   7          2HG1      VAL   7  -5.595   5.699   5.699
   55    H    HIS   8           H        HIS   8  -3.733   5.140   5.140
   56    HA   HIS   8           HA       HIS   8  -1.130   6.381   6.381
   57   1HB   HIS   8          1HB       HIS   8  -2.748   4.356   4.356
   58   2HB   HIS   8          2HB       HIS   8  -1.047   4.791   4.791
   59    HD1  HIS   8           HD1      HIS   8  -3.203   2.972   2.972
   60    HD2  HIS   8           HD2      HIS   8   0.558   3.093   3.093
   61    HE1  HIS   8           HE1      HIS   8  -1.765   1.065   1.065
   62    HE2  HIS   8           HE2      HIS   8   0.567   1.021   1.021
   63    H    CYS   9           H        CYS   9  -1.967   8.312   8.312
   64    HA   CYS   9           HA       CYS   9  -4.396   8.817   8.817
   65   1HB   CYS   9          1HB       CYS   9  -3.581   9.895   9.895
   66   2HB   CYS   9          2HB       CYS   9  -3.052  11.158  11.158
   67    H    THR  10           H        THR  10  -4.463  10.452  10.452
   68    HA   THR  10           HA       THR  10  -3.613  11.625  11.625
   69    HB   THR  10           HB       THR  10  -0.683  11.316  11.316
   70    HG1  THR  10           HG1      THR  10  -0.825  12.793  12.793
   71   1HG2  THR  10          3HG2      THR  10  -2.398  13.867  13.867
   72   2HG2  THR  10          1HG2      THR  10  -0.625  13.829  13.829
   73   3HG2  THR  10          2HG2      THR  10  -1.392  13.072  13.072
   74    H    LYS  11           H        LYS  11  -4.272   9.081   9.081
   75    HA   LYS  11           HA       LYS  11  -2.707   8.344   8.344
   76   1HB   LYS  11          1HB       LYS  11  -2.434   6.800   6.800
   77   2HB   LYS  11          2HB       LYS  11  -3.002   5.787   5.787
   78   1HG   LYS  11          1HG       LYS  11  -0.993   6.998   6.998
   79   2HG   LYS  11          2HG       LYS  11  -0.375   7.361   7.361
   80   1HD   LYS  11          1HD       LYS  11   0.621   5.291   5.291
   81   2HD   LYS  11          2HD       LYS  11  -0.270   4.908   4.908
   82   1HE   LYS  11          1HE       LYS  11  -0.985   3.241   3.241
   83   2HE   LYS  11          2HE       LYS  11  -2.351   4.347   4.347
   84   1HZ   LYS  11          1HZ       LYS  11  -1.305   5.648   5.648
   85   2HZ   LYS  11          2HZ       LYS  11  -0.397   4.264   4.264
   86   3HZ   LYS  11          3HZ       LYS  11  -2.076   4.197   4.197
   87    H    SER  12           H        SER  12  -4.436   9.104   9.104
   88    HA   SER  12           HA       SER  12  -6.711   9.138   9.138
   89   1HB   SER  12          1HB       SER  12  -7.559   6.994   6.994
   90   2HB   SER  12          2HB       SER  12  -5.871   7.217   7.217
   91    HG   SER  12           HG       SER  12  -6.007   5.166   5.166
   92    H    GLY  13           H        GLY  13  -6.239   9.066   9.066
   93   1HA   GLY  13          1HA       GLY  13  -8.465   9.677   9.677
   94   2HA   GLY  13          2HA       GLY  13  -9.088   8.097   8.097
   95    H    CYS  14           H        CYS  14  -8.215   9.614   9.614
   96    HA   CYS  14           HA       CYS  14  -6.247   8.072   8.072
   97   1HB   CYS  14          1HB       CYS  14  -8.240   9.975   9.975
   98   2HB   CYS  14          2HB       CYS  14  -8.717   8.565   8.565
   99    H    SER  15           H        SER  15  -5.944   6.113   6.113
  100    HA   SER  15           HA       SER  15  -8.340   4.254   4.254
  101   1HB   SER  15          2HB       SER  15  -7.210   4.342   4.342
  102   2HB   SER  15          1HB       SER  15  -5.950   3.372   3.372
  103    HG   SER  15           HG       SER  15  -8.600   2.566   2.566
  104    H    VAL  16           H        VAL  16  -8.299   3.078   3.078
  105    HA   VAL  16           HA       VAL  16  -5.654   2.906   2.906
  106    HB   VAL  16           HB       VAL  16  -8.159   3.703   3.703
  107   1HG1  VAL  16          1HG1      VAL  16  -8.129   0.725   0.725
  108   2HG1  VAL  16          2HG1      VAL  16  -9.216   1.985   1.985
  109   3HG1  VAL  16          3HG1      VAL  16  -9.340   1.502   1.502
  110   1HG2  VAL  16          2HG2      VAL  16  -6.042   3.887   3.887
  111   2HG2  VAL  16          3HG2      VAL  16  -7.442   3.399   3.399
  112   3HG2  VAL  16          1HG2      VAL  16  -6.222   2.187   2.187
  113    H    ASN  17           H        ASN  17  -4.864   1.152   1.152
  114    HA   ASN  17           HA       ASN  17  -5.951  -1.498  -1.498
  115   1HB   ASN  17          2HB       ASN  17  -3.350  -0.537  -0.537
  116   2HB   ASN  17          1HB       ASN  17  -3.161  -1.314  -1.314
  117   1HD2  ASN  17          1HD2      ASN  17  -2.361  -3.794  -3.794
  118   2HD2  ASN  17          2HD2      ASN  17  -1.794  -2.067  -2.067
  119    H    TRP  18           H        TRP  18  -7.539  -1.224  -1.224
  120    HA   TRP  18           HA       TRP  18  -7.043  -0.887  -0.887
  121   1HB   TRP  18          1HB       TRP  18  -9.167  -2.416  -2.416
  122   2HB   TRP  18          2HB       TRP  18  -9.201  -2.607  -2.607
  123    HD1  TRP  18           HD1      TRP  18 -10.756  -0.499  -0.499
  124    HE1  TRP  18           HE1      TRP  18 -11.621   1.859   1.859
  125    HE3  TRP  18           HE3      TRP  18  -8.028  -0.465  -0.465
  126    HZ2  TRP  18           HZ2      TRP  18 -10.996   3.405   3.405
  127    HZ3  TRP  18           HZ3      TRP  18  -8.338   1.395   1.395
  128    HH2  TRP  18           HH2      TRP  18  -9.823   3.292   3.292
  129    H    GLY  19           H        GLY  19  -6.254  -3.694  -3.694
  130   1HA   GLY  19          1HA       GLY  19  -6.260  -5.545  -5.545
  131   2HA   GLY  19          2HA       GLY  19  -5.613  -5.913  -5.913
  132    H    GLU  20           H        GLU  20  -3.786  -4.046  -4.046
  133    HA   GLU  20           HA       GLU  20  -1.517  -5.076  -5.076
  134   1HB   GLU  20          1HB       GLU  20  -1.340  -4.416  -4.416
  135   2HB   GLU  20          2HB       GLU  20  -1.894  -2.796  -2.796
  136   1HG   GLU  20          1HG       GLU  20   0.319  -2.168  -2.168
  137   2HG   GLU  20          2HG       GLU  20   0.444  -2.963  -2.963
  138    HE2  GLU  20           HE2      GLU  20   2.509  -4.247  -4.247
  139    H    ALA  21           H        ALA  21  -2.740  -1.829  -1.829
  140    HA   ALA  21           HA       ALA  21  -1.607  -0.459  -0.459
  141   1HB   ALA  21          2HB       ALA  21  -3.258   0.535   0.535
  142   2HB   ALA  21          3HB       ALA  21  -4.590  -0.368  -0.368
  143   3HB   ALA  21          1HB       ALA  21  -3.748   0.914   0.914
  144    H    PHE  22           H        PHE  22  -4.341  -2.695  -2.695
  145    HA   PHE  22           HA       PHE  22  -4.930  -2.398  -2.398
  146   1HB   PHE  22          1HB       PHE  22  -6.325  -3.860  -3.860
  147   2HB   PHE  22          2HB       PHE  22  -4.972  -4.889  -4.889
  148    HD1  PHE  22           HD1      PHE  22  -3.940  -6.324  -6.324
  149    HD2  PHE  22           HD2      PHE  22  -7.771  -4.403  -4.403
  150    HE1  PHE  22           HE1      PHE  22  -4.562  -7.857  -7.857
  151    HE2  PHE  22           HE2      PHE  22  -8.389  -5.945  -5.945
  152    HZ   PHE  22           HZ       PHE  22  -6.781  -7.665  -7.665
  153    H    SER  23           H        SER  23  -2.736  -4.701  -4.701
  154    HA   SER  23           HA       SER  23  -1.686  -5.721  -5.721
  155   1HB   SER  23          1HB       SER  23  -1.430  -6.993  -6.993
  156   2HB   SER  23          2HB       SER  23  -0.397  -5.753  -5.753
  157    HG   SER  23           HG       SER  23   0.387  -7.811  -7.811
  158    H    ALA  24           H        ALA  24  -0.817  -3.012  -3.012
  159    HA   ALA  24           HA       ALA  24   1.728  -2.382  -2.382
  160   1HB   ALA  24          2HB       ALA  24   0.916  -1.297  -1.297
  161   2HB   ALA  24          3HB       ALA  24  -0.403  -0.492  -0.492
  162   3HB   ALA  24          1HB       ALA  24   1.292  -0.052  -0.052
  163    H    GLY  25           H        GLY  25  -1.564  -1.252  -1.252
  164   1HA   GLY  25          2HA       GLY  25  -0.669   0.323   0.323
  165   2HA   GLY  25          1HA       GLY  25  -2.355   0.007   0.007
  166    H    VAL  26           H        VAL  26  -1.853  -2.932  -2.932
  167    HA   VAL  26           HA       VAL  26  -2.321  -3.542  -3.542
  168    HB   VAL  26           HB       VAL  26  -2.665  -4.871  -4.871
  169   1HG1  VAL  26          2HG2      VAL  26  -0.564  -6.468  -6.468
  170   2HG1  VAL  26          3HG2      VAL  26  -1.576  -7.169  -7.169
  171   3HG1  VAL  26          1HG2      VAL  26  -0.409  -5.884  -5.884
  172   1HG2  VAL  26          1HG1      VAL  26  -4.238  -5.272  -5.272
  173   2HG2  VAL  26          2HG1      VAL  26  -3.670  -6.821  -6.821
  174   3HG2  VAL  26          3HG1      VAL  26  -2.999  -6.237  -6.237
  175    H    HIS  27           H        HIS  27   0.422  -3.966  -3.966
  176    HA   HIS  27           HA       HIS  27   2.169  -5.165  -5.165
  177   1HB   HIS  27          1HB       HIS  27   2.572  -3.379  -3.379
  178   2HB   HIS  27          2HB       HIS  27   3.988  -3.870  -3.870
  179    HD1  HIS  27           HD1      HIS  27   1.588  -6.759  -6.759
  180    HD2  HIS  27           HD2      HIS  27   4.397  -4.933  -4.933
  181    HE1  HIS  27           HE1      HIS  27   2.297  -8.458  -8.458
  182    HE2  HIS  27           HE2      HIS  27   3.999  -7.468  -7.468
  183    H    ARG  28           H        ARG  28   1.514  -1.777  -1.777
  184    HA   ARG  28           HA       ARG  28   3.378  -0.909  -0.909
  185   1HB   ARG  28          1HB       ARG  28   1.727   0.343   0.343
  186   2HB   ARG  28          2HB       ARG  28   1.618   1.262   1.262
  187   1HG   ARG  28          2HG       ARG  28   4.068   1.637   1.637
  188   2HG   ARG  28          1HG       ARG  28   4.362   0.429   0.429
  189   1HD   ARG  28          1HD       ARG  28   2.509   2.717   2.717
  190   2HD   ARG  28          2HD       ARG  28   4.242   3.084   3.084
  191    HE   ARG  28           HE       ARG  28   3.473   0.658   0.658
  192   1HH1  ARG  28          2HH1      ARG  28   4.739   3.894   3.894
  193   2HH1  ARG  28          1HH1      ARG  28   5.385   3.727   3.727
  194   1HH2  ARG  28          1HH2      ARG  28   4.199   0.556   0.556
  195   2HH2  ARG  28          2HH2      ARG  28   5.095   1.916   1.916
  196    H    LEU  29           H        LEU  29  -0.010  -1.629  -1.629
  197    HA   LEU  29           HA       LEU  29  -0.906  -0.195  -0.195
  198   1HB   LEU  29          1HB       LEU  29  -2.663  -0.859  -0.859
  199   2HB   LEU  29          2HB       LEU  29  -1.966  -2.436  -2.436
  200    HG   LEU  29           HG       LEU  29  -3.071  -3.470  -3.470
  201   1HD1  LEU  29          3HD2      LEU  29  -2.094  -1.969  -1.969
  202   2HD1  LEU  29          1HD2      LEU  29  -3.431  -0.843  -0.843
  203   3HD1  LEU  29          2HD2      LEU  29  -3.765  -2.506  -2.506
  204   1HD2  LEU  29          2HD1      LEU  29  -4.736  -2.374  -2.374
  205   2HD2  LEU  29          3HD1      LEU  29  -5.418  -2.647  -2.647
  206   3HD2  LEU  29          1HD1      LEU  29  -4.898  -1.017  -1.017
  207    H    ALA  30           H        ALA  30  -0.453  -3.703  -3.703
  208    HA   ALA  30           HA       ALA  30  -0.208  -3.993  -3.993
  209   1HB   ALA  30          2HB       ALA  30  -1.225  -5.803  -5.803
  210   2HB   ALA  30          3HB       ALA  30   0.317  -5.998  -5.998
  211   3HB   ALA  30          1HB       ALA  30   0.194  -6.435  -6.435
  212    H    ASN  31           H        ASN  31   1.903  -4.347  -4.347
  213    HA   ASN  31           HA       ASN  31   4.292  -4.792  -4.792
  214   1HB   ASN  31          1HB       ASN  31   4.564  -2.482  -2.482
  215   2HB   ASN  31          2HB       ASN  31   3.666  -2.090  -2.090
  216   1HD2  ASN  31          1HD2      ASN  31   7.712  -2.562  -2.562
  217   2HD2  ASN  31          2HD2      ASN  31   6.826  -3.380  -3.380
  218    H    GLY  32           H        GLY  32   3.911  -6.711  -6.711
  219   1HA   GLY  32          1HA       GLY  32   4.507  -6.977  -6.977
  220   2HA   GLY  32          2HA       GLY  32   4.727  -8.262  -8.262
  221    H    GLY  33           H        GLY  33   6.479  -6.815  -6.815
  222   1HA   GLY  33          1HA       GLY  33   8.671  -5.402  -5.402
  223   2HA   GLY  33          2HA       GLY  33   9.036  -6.842  -6.842
  224    H    ASN  34           H        ASN  34   9.149  -5.305  -5.305
  225    HA   ASN  34           HA       ASN  34   9.928  -7.876  -7.876
  226   1HB   ASN  34          1HB       ASN  34   8.298  -6.285  -6.285
  227   2HB   ASN  34          2HB       ASN  34   9.460  -4.982  -4.982
  228   1HD2  ASN  34          1HD2      ASN  34   9.745  -7.660  -7.660
  229   2HD2  ASN  34          2HD2      ASN  34   8.529  -7.910  -7.910
  230    H    GLY  35           H        GLY  35  11.113  -4.810  -4.810
  231   1HA   GLY  35          1HA       GLY  35  13.928  -5.579  -5.579
  232   2HA   GLY  35          2HA       GLY  35  13.423  -3.948  -3.948
  233    H    PHE  36           H        PHE  36  14.949  -3.579  -3.579
  234    HA   PHE  36           HA       PHE  36  15.341  -5.644  -5.644
  235   1HB   PHE  36          2HB       PHE  36  16.920  -3.429  -3.429
  236   2HB   PHE  36          1HB       PHE  36  17.179  -3.501  -3.501
  237    HD1  PHE  36           HD1      PHE  36  17.142  -5.647  -5.647
  238    HD2  PHE  36           HD2      PHE  36  18.849  -5.137  -5.137
  239    HE1  PHE  36           HE1      PHE  36  18.830  -7.360  -7.360
  240    HE2  PHE  36           HE2      PHE  36  20.524  -6.873  -6.873
  241    HZ   PHE  36           HZ       PHE  36  20.539  -7.964  -7.964
  242    H    TRP  37           H        TRP  37  13.479  -5.300  -5.300
  243    HA   TRP  37           HA       TRP  37  12.038  -4.173  -4.173
  244   1HB   TRP  37          2HB       TRP  37  14.260  -4.172  -4.172
  245   2HB   TRP  37          1HB       TRP  37  14.634  -2.595  -2.595
  246    HD1  TRP  37           HD1      TRP  37  11.186  -3.824  -3.824
  247    HE1  TRP  37           HE1      TRP  37  10.523  -2.364  -2.364
  248    HE3  TRP  37           HE3      TRP  37  15.382  -0.935  -0.935
  249    HZ2  TRP  37           HZ2      TRP  37  11.839  -0.259  -0.259
  250    HZ3  TRP  37           HZ3      TRP  37  15.633   0.804   0.804
  251    HH2  TRP  37           HH2      TRP  37  13.898   1.129   1.129
  252    HXT  TRP  37           HXT      TRP  37  12.560  -0.482  -0.482

  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1   8.477  -0.260  -0.260
    2   2H    LYS   1          2H        LYS   1  10.097  -0.062  -0.062
    3   3H    LYS   1          3H        LYS   1   9.649  -1.217  -1.217
    4    HA   LYS   1           HA       LYS   1  10.405   0.389   0.389
    5   1HB   LYS   1          1HB       LYS   1  10.090   1.975   1.975
    6   2HB   LYS   1          2HB       LYS   1   9.069   2.775   2.775
    7   1HG   LYS   1          2HG       LYS   1  10.952   3.781   3.781
    8   2HG   LYS   1          1HG       LYS   1  11.491   2.214   2.214
    9   1HD   LYS   1          1HD       LYS   1  13.343   2.908   2.908
   10   2HD   LYS   1          2HD       LYS   1  12.547   1.776   1.776
   11   1HE   LYS   1          1HE       LYS   1  13.087   3.789   3.789
   12   2HE   LYS   1          2HE       LYS   1  11.329   3.769   3.769
   13   1HZ   LYS   1          1HZ       LYS   1  13.059   5.179   5.179
   14   2HZ   LYS   1          2HZ       LYS   1  12.558   5.912   5.912
   15   3HZ   LYS   1          3HZ       LYS   1  11.419   5.393   5.393
   16    H    TYR   2           H        TYR   2   9.460   1.573   1.573
   17    HA   TYR   2           HA       TYR   2   6.418   1.200   1.200
   18   1HB   TYR   2          1HB       TYR   2   8.561   0.030   0.030
   19   2HB   TYR   2          2HB       TYR   2   7.310   0.853   0.853
   20    HD1  TYR   2           HD2      TYR   2   7.500  -1.663  -1.663
   21    HD2  TYR   2           HD1      TYR   2   5.487  -0.395  -0.395
   22    HE1  TYR   2           HE2      TYR   2   6.070  -3.658  -3.658
   23    HE2  TYR   2           HE1      TYR   2   4.051  -2.400  -2.400
   24    HH   TYR   2           HH       TYR   2   4.714  -5.040  -5.040
   25    H    TYR   3           H        TYR   3   5.327   2.422   2.422
   26    HA   TYR   3           HA       TYR   3   6.880   4.941   4.941
   27   1HB   TYR   3          1HB       TYR   3   4.152   4.758   4.758
   28   2HB   TYR   3          2HB       TYR   3   4.604   6.191   6.191
   29    HD1  TYR   3           HD2      TYR   3   7.153   4.274   4.274
   30    HD2  TYR   3           HD1      TYR   3   4.522   7.674   7.674
   31    HE1  TYR   3           HE2      TYR   3   8.275   5.142   5.142
   32    HE2  TYR   3           HE1      TYR   3   5.663   8.540   8.540
   33    HH   TYR   3           HH       TYR   3   8.470   7.803   7.803
   34    H    GLY   4           H        GLY   4   5.998   2.564   2.564
   35   1HA   GLY   4          2HA       GLY   4   5.026   2.183   2.183
   36   2HA   GLY   4          1HA       GLY   4   4.894   3.944   3.944
   37    H    ASN   5           H        ASN   5   3.116   1.967   1.967
   38    HA   ASN   5           HA       ASN   5   0.749   1.710   1.710
   39   1HB   ASN   5          1HB       ASN   5   0.595   4.321   4.321
   40   2HB   ASN   5          2HB       ASN   5  -0.631   3.721   3.721
   41   1HD2  ASN   5          1HD2      ASN   5   1.167   5.042   5.042
   42   2HD2  ASN   5          2HD2      ASN   5   0.015   3.686   3.686
   43    H    GLY   6           H        GLY   6   2.093   0.390   0.390
   44   1HA   GLY   6          1HA       GLY   6   1.457  -0.988  -0.988
   45   2HA   GLY   6          2HA       GLY   6  -0.223  -0.697  -0.697
   46    H    VAL   7           H        VAL   7   2.296   1.547   1.547
   47    HA   VAL   7           HA       VAL   7   0.488   2.133   2.133
   48    HB   VAL   7           HB       VAL   7   2.592   3.852   3.852
   49   1HG1  VAL   7          1HG1      VAL   7   1.060   4.751   4.751
   50   2HG1  VAL   7          2HG1      VAL   7   2.060   5.799   5.799
   51   3HG1  VAL   7          3HG1      VAL   7   2.817   4.500   4.500
   52   1HG2  VAL   7          2HG2      VAL   7   0.310   3.843   3.843
   53   2HG2  VAL   7          3HG2      VAL   7   0.752   5.445   5.445
   54   3HG2  VAL   7          1HG2      VAL   7  -0.421   4.454   4.454
   55    H    HIS   8           H        HIS   8   1.120   1.926   1.926
   56    HA   HIS   8           HA       HIS   8   4.074   1.522   1.522
   57   1HB   HIS   8          1HB       HIS   8   2.107  -0.489  -0.489
   58   2HB   HIS   8          2HB       HIS   8   3.761  -0.786  -0.786
   59    HD1  HIS   8           HD1      HIS   8   0.118  -0.603  -0.603
   60    HD2  HIS   8           HD2      HIS   8   4.199  -1.619  -1.619
   61    HE1  HIS   8           HE1      HIS   8   0.178  -1.859  -1.859
   62    HE2  HIS   8           HE2      HIS   8   2.617  -2.539  -2.539
   63    H    CYS   9           H        CYS   9   4.773   2.344   2.344
   64    HA   CYS   9           HA       CYS   9   2.693   3.774   3.774
   65   1HB   CYS   9          1HB       CYS   9   5.265   4.489   4.489
   66   2HB   CYS   9          2HB       CYS   9   5.543   4.321   4.321
   67    H    THR  10           H        THR  10   1.822   2.497   2.497
   68    HA   THR  10           HA       THR  10   3.310   0.409   0.409
   69    HB   THR  10           HB       THR  10   0.777   1.551   1.551
   70    HG1  THR  10           HG1      THR  10  -0.467   0.633   0.633
   71   1HG2  THR  10          3HG2      THR  10   1.475  -1.348  -1.348
   72   2HG2  THR  10          1HG2      THR  10   0.000  -0.853  -0.853
   73   3HG2  THR  10          2HG2      THR  10   1.566  -0.726  -0.726
   74    H    LYS  11           H        LYS  11   2.414   0.674   0.674
   75    HA   LYS  11           HA       LYS  11   4.670   2.359   2.359
   76   1HB   LYS  11          1HB       LYS  11   4.177   1.387   1.387
   77   2HB   LYS  11          2HB       LYS  11   3.918   0.103   0.103
   78   1HG   LYS  11          1HG       LYS  11   1.462   0.329   0.329
   79   2HG   LYS  11          2HG       LYS  11   1.584   1.879   1.879
   80   1HD   LYS  11          1HD       LYS  11   2.920   0.249   0.249
   81   2HD   LYS  11          2HD       LYS  11   1.879  -0.961  -0.961
   82   1HE   LYS  11          1HE       LYS  11  -0.141   0.055   0.055
   83   2HE   LYS  11          2HE       LYS  11   0.540   1.689   1.689
   84   1HZ   LYS  11          2HZ       LYS  11   2.060   0.551   0.551
   85   2HZ   LYS  11          3HZ       LYS  11   0.675  -0.385  -0.385
   86   3HZ   LYS  11          1HZ       LYS  11   0.588   1.287   1.287
   87    H    SER  12           H        SER  12   1.197   2.646   2.646
   88    HA   SER  12           HA       SER  12   1.403   5.211   5.211
   89   1HB   SER  12          2HB       SER  12  -1.052   4.985   4.985
   90   2HB   SER  12          1HB       SER  12  -0.210   3.515   3.515
   91    HG   SER  12           HG       SER  12  -2.239   3.532   3.532
   92    H    GLY  13           H        GLY  13   2.084   4.814   4.814
   93   1HA   GLY  13          2HA       GLY  13   1.944   7.250   7.250
   94   2HA   GLY  13          1HA       GLY  13   0.184   7.021   7.021
   95    H    CYS  14           H        CYS  14  -0.086   7.185   7.185
   96    HA   CYS  14           HA       CYS  14   1.185   4.926   4.926
   97   1HB   CYS  14          1HB       CYS  14   1.379   7.841   7.841
   98   2HB   CYS  14          2HB       CYS  14   0.521   7.182   7.182
   99    H    SER  15           H        SER  15   0.042   3.805   3.805
  100    HA   SER  15           HA       SER  15  -2.881   4.512   4.512
  101   1HB   SER  15          2HB       SER  15  -2.509   1.688   1.688
  102   2HB   SER  15          1HB       SER  15  -3.833   2.814   2.814
  103    HG   SER  15           HG       SER  15  -2.364   2.280   2.280
  104    H    VAL  16           H        VAL  16  -3.803   3.769   3.769
  105    HA   VAL  16           HA       VAL  16  -1.851   2.471   2.471
  106    HB   VAL  16           HB       VAL  16  -4.629   3.774   3.774
  107   1HG1  VAL  16          2HG2      VAL  16  -2.527   2.956   2.956
  108   2HG1  VAL  16          3HG2      VAL  16  -3.906   4.007   4.007
  109   3HG1  VAL  16          1HG2      VAL  16  -4.180   2.322   2.322
  110   1HG2  VAL  16          1HG1      VAL  16  -3.035   5.595   5.595
  111   2HG2  VAL  16          2HG1      VAL  16  -3.458   5.767   5.767
  112   3HG2  VAL  16          3HG1      VAL  16  -1.892   5.113   5.113
  113    H    ASN  17           H        ASN  17  -1.788   0.402   0.402
  114    HA   ASN  17           HA       ASN  17  -4.185  -1.274  -1.274
  115   1HB   ASN  17          2HB       ASN  17  -1.400  -1.758  -1.758
  116   2HB   ASN  17          1HB       ASN  17  -1.975  -2.413  -2.413
  117   1HD2  ASN  17          1HD2      ASN  17  -3.674  -5.150  -5.150
  118   2HD2  ASN  17          2HD2      ASN  17  -3.869  -3.997  -3.997
  119    H    TRP  18           H        TRP  18  -5.887  -1.108  -1.108
  120    HA   TRP  18           HA       TRP  18  -5.730  -0.376  -0.376
  121   1HB   TRP  18          2HB       TRP  18  -7.992  -0.925  -0.925
  122   2HB   TRP  18          1HB       TRP  18  -8.392  -0.809  -0.809
  123    HD1  TRP  18           HD1      TRP  18  -8.141   1.274   1.274
  124    HE1  TRP  18           HE1      TRP  18  -7.917   3.888   3.888
  125    HE3  TRP  18           HE3      TRP  18  -6.921   0.898   0.898
  126    HZ2  TRP  18           HZ2      TRP  18  -7.230   5.400   5.400
  127    HZ3  TRP  18           HZ3      TRP  18  -6.463   2.963   2.963
  128    HH2  TRP  18           HH2      TRP  18  -6.684   5.184   5.184
  129    H    GLY  19           H        GLY  19  -4.742  -3.095  -3.095
  130   1HA   GLY  19          1HA       GLY  19  -6.267  -4.567  -4.567
  131   2HA   GLY  19          2HA       GLY  19  -5.614  -5.405  -5.405
  132    H    GLU  20           H        GLU  20  -3.243  -4.470  -4.470
  133    HA   GLU  20           HA       GLU  20  -1.581  -5.483  -5.483
  134   1HB   GLU  20          1HB       GLU  20  -0.974  -3.748  -3.748
  135   2HB   GLU  20          2HB       GLU  20   0.297  -4.271  -4.271
  136   1HG   GLU  20          1HG       GLU  20  -1.032  -6.723  -6.723
  137   2HG   GLU  20          2HG       GLU  20  -1.129  -5.812  -5.812
  138    HE1  GLU  20           HE2      GLU  20   2.495  -6.920  -6.920
  139    H    ALA  21           H        ALA  21  -3.051  -2.476  -2.476
  140    HA   ALA  21           HA       ALA  21  -1.184  -0.967  -0.967
  141   1HB   ALA  21          2HB       ALA  21  -2.445   0.188   0.188
  142   2HB   ALA  21          3HB       ALA  21  -3.999  -0.270  -0.270
  143   3HB   ALA  21          1HB       ALA  21  -2.917   0.874   0.874
  144    H    PHE  22           H        PHE  22  -4.360  -2.485  -2.485
  145    HA   PHE  22           HA       PHE  22  -4.924  -1.825  -1.825
  146   1HB   PHE  22          1HB       PHE  22  -6.522  -3.019  -3.019
  147   2HB   PHE  22          2HB       PHE  22  -5.579  -4.473  -4.473
  148    HD1  PHE  22           HD2      PHE  22  -5.250  -5.221  -5.221
  149    HD2  PHE  22           HD1      PHE  22  -8.466  -2.840  -2.840
  150    HE1  PHE  22           HE2      PHE  22  -6.665  -5.858  -5.858
  151    HE2  PHE  22           HE1      PHE  22  -9.872  -3.479  -3.479
  152    HZ   PHE  22           HZ       PHE  22  -8.980  -4.994  -4.994
  153    H    SER  23           H        SER  23  -3.107  -4.495  -4.495
  154    HA   SER  23           HA       SER  23  -2.343  -5.626  -5.626
  155   1HB   SER  23          1HB       SER  23  -1.082  -7.193  -7.193
  156   2HB   SER  23          2HB       SER  23  -2.206  -6.719  -6.719
  157    HG   SER  23           HG       SER  23   0.443  -6.552  -6.552
  158    H    ALA  24           H        ALA  24  -0.950  -3.249  -3.249
  159    HA   ALA  24           HA       ALA  24   1.516  -2.824  -2.824
  160   1HB   ALA  24          2HB       ALA  24   1.064  -1.868  -1.868
  161   2HB   ALA  24          3HB       ALA  24  -0.197  -0.804  -0.804
  162   3HB   ALA  24          1HB       ALA  24   1.507  -0.566  -0.566
  163    H    GLY  25           H        GLY  25  -1.758  -1.677  -1.677
  164   1HA   GLY  25          2HA       GLY  25  -0.977   0.199   0.199
  165   2HA   GLY  25          1HA       GLY  25  -2.633  -0.253  -0.253
  166    H    VAL  26           H        VAL  26  -2.002  -3.139  -3.139
  167    HA   VAL  26           HA       VAL  26  -2.560  -3.611  -3.611
  168    HB   VAL  26           HB       VAL  26  -1.485  -5.513  -5.513
  169   1HG1  VAL  26          1HG1      VAL  26  -2.894  -6.374  -6.374
  170   2HG1  VAL  26          2HG1      VAL  26  -2.479  -7.454  -7.454
  171   3HG1  VAL  26          3HG1      VAL  26  -1.197  -6.687  -6.687
  172   1HG2  VAL  26          2HG2      VAL  26  -3.731  -4.550  -4.550
  173   2HG2  VAL  26          3HG2      VAL  26  -3.821  -6.293  -6.293
  174   3HG2  VAL  26          1HG2      VAL  26  -4.442  -5.170  -5.170
  175    H    HIS  27           H        HIS  27   0.243  -4.395  -4.395
  176    HA   HIS  27           HA       HIS  27   2.108  -4.997  -4.997
  177   1HB   HIS  27          1HB       HIS  27   2.437  -3.270  -3.270
  178   2HB   HIS  27          2HB       HIS  27   3.833  -3.831  -3.831
  179    HD1  HIS  27           HD1      HIS  27   1.629  -6.754  -6.754
  180    HD2  HIS  27           HD2      HIS  27   3.886  -4.730  -4.730
  181    HE1  HIS  27           HE1      HIS  27   2.133  -8.377  -8.377
  182    HE2  HIS  27           HE2      HIS  27   3.492  -7.264  -7.264
  183    H    ARG  28           H        ARG  28   1.289  -1.788  -1.788
  184    HA   ARG  28           HA       ARG  28   2.910  -0.303  -0.303
  185   1HB   ARG  28          1HB       ARG  28   1.083   0.300   0.300
  186   2HB   ARG  28          2HB       ARG  28   0.221   0.881   0.881
  187   1HG   ARG  28          2HG       ARG  28   3.151   1.710   1.710
  188   2HG   ARG  28          1HG       ARG  28   2.115   2.369   2.369
  189   1HD   ARG  28          1HD       ARG  28   1.119   3.855   3.855
  190   2HD   ARG  28          2HD       ARG  28   0.782   2.600   2.600
  191    HE   ARG  28           HE       ARG  28   3.623   3.031   3.031
  192   1HH1  ARG  28          2HH1      ARG  28   0.782   4.878   4.878
  193   2HH1  ARG  28          1HH1      ARG  28   1.684   5.914   5.914
  194   1HH2  ARG  28          1HH2      ARG  28   4.533   4.195   4.195
  195   2HH2  ARG  28          2HH2      ARG  28   3.724   5.548   5.548
  196    H    LEU  29           H        LEU  29  -0.392  -1.531  -1.531
  197    HA   LEU  29           HA       LEU  29  -0.996  -0.458  -0.458
  198   1HB   LEU  29          2HB       LEU  29  -3.009  -1.299  -1.299
  199   2HB   LEU  29          1HB       LEU  29  -2.268  -2.196  -2.196
  200    HG   LEU  29           HG       LEU  29  -1.903  -4.166  -4.166
  201   1HD1  LEU  29          3HD2      LEU  29  -1.773  -2.858  -2.858
  202   2HD1  LEU  29          1HD2      LEU  29  -3.526  -2.650  -2.650
  203   3HD1  LEU  29          2HD2      LEU  29  -2.830  -4.290  -4.290
  204   1HD2  LEU  29          2HD1      LEU  29  -4.027  -3.873  -3.873
  205   2HD2  LEU  29          3HD1      LEU  29  -4.299  -4.842  -4.842
  206   3HD2  LEU  29          1HD1      LEU  29  -4.819  -3.141  -3.141
  207    H    ALA  30           H        ALA  30   0.702  -3.316  -3.316
  208    HA   ALA  30           HA       ALA  30   0.949  -4.112  -4.112
  209   1HB   ALA  30          2HB       ALA  30  -0.072  -5.833  -5.833
  210   2HB   ALA  30          3HB       ALA  30   1.364  -5.774  -5.774
  211   3HB   ALA  30          1HB       ALA  30   1.491  -6.415  -6.415
  212    H    ASN  31           H        ASN  31   2.360  -1.964  -1.964
  213    HA   ASN  31           HA       ASN  31   5.199  -3.125  -3.125
  214   1HB   ASN  31          2HB       ASN  31   4.729  -1.725  -1.725
  215   2HB   ASN  31          1HB       ASN  31   3.954  -0.488  -0.488
  216   1HD2  ASN  31          1HD2      ASN  31   7.941  -0.236  -0.236
  217   2HD2  ASN  31          2HD2      ASN  31   7.011  -1.700  -1.700
  218    H    GLY  32           H        GLY  32   3.081  -0.840  -0.840
  219   1HA   GLY  32          1HA       GLY  32   3.912  -1.023  -1.023
  220   2HA   GLY  32          2HA       GLY  32   5.320  -0.150  -0.150
  221    H    GLY  33           H        GLY  33   1.798  -0.044  -0.044
  222   1HA   GLY  33          2HA       GLY  33   1.794   2.819   2.819
  223   2HA   GLY  33          1HA       GLY  33   1.180   2.562   2.562
  224    H    ASN  34           H        ASN  34   0.657  -0.084  -0.084
  225    HA   ASN  34           HA       ASN  34  -2.265   0.261   0.261
  226   1HB   ASN  34          2HB       ASN  34  -0.786  -1.970  -1.970
  227   2HB   ASN  34          1HB       ASN  34  -0.908  -1.719  -1.719
  228   1HD2  ASN  34          1HD2      ASN  34  -3.699  -3.884  -3.884
  229   2HD2  ASN  34          2HD2      ASN  34  -1.928  -3.744  -3.744
  230    H    GLY  35           H        GLY  35  -0.385  -0.140  -0.140
  231   1HA   GLY  35          2HA       GLY  35  -1.116   1.941   1.941
  232   2HA   GLY  35          1HA       GLY  35  -2.718   1.195   1.195
  233    H    PHE  36           H        PHE  36  -0.461   1.547   1.547
  234    HA   PHE  36           HA       PHE  36  -0.649  -1.331  -1.331
  235   1HB   PHE  36          1HB       PHE  36   1.653  -0.836  -0.836
  236   2HB   PHE  36          2HB       PHE  36   1.910   0.429   0.429
  237    HD1  PHE  36           HD2      PHE  36   1.332  -3.309  -3.309
  238    HD2  PHE  36           HD1      PHE  36   3.001  -0.022  -0.022
  239    HE1  PHE  36           HE2      PHE  36   2.374  -4.889  -4.889
  240    HE2  PHE  36           HE1      PHE  36   4.039  -1.604  -1.604
  241    HZ   PHE  36           HZ       PHE  36   3.746  -4.042  -4.042
  242    H    TRP  37           H        TRP  37  -2.319   0.637   0.637
  243    HA   TRP  37           HA       TRP  37  -1.914   0.718   0.718
  244   1HB   TRP  37          1HB       TRP  37  -1.537   3.156   3.156
  245   2HB   TRP  37          2HB       TRP  37  -0.237   2.532   2.532
  246    HD1  TRP  37           HD1      TRP  37  -1.719   2.549   2.549
  247    HE1  TRP  37           HE1      TRP  37  -2.186   4.835   4.835
  248    HE3  TRP  37           HE3      TRP  37  -1.507   5.547   5.547
  249    HZ2  TRP  37           HZ2      TRP  37  -2.386   7.534   7.534
  250    HZ3  TRP  37           HZ3      TRP  37  -1.962   7.968   7.968
  251    HH2  TRP  37           HH2      TRP  37  -2.475   8.936   8.936
  252    HXT  TRP  37           HXT      TRP  37  -5.210   1.092   1.092

  Start of MODEL   10
    1   1H    LYS   1          3H        LYS   1   7.686   1.167   1.167
    2   2H    LYS   1          1H        LYS   1   7.411   2.441   2.441
    3   3H    LYS   1          2H        LYS   1   8.972   2.111   2.111
    4    HA   LYS   1           HA       LYS   1   8.698   3.000   3.000
    5   1HB   LYS   1          1HB       LYS   1   7.926   4.551   4.551
    6   2HB   LYS   1          2HB       LYS   1   6.458   4.660   4.660
    7   1HG   LYS   1          2HG       LYS   1   7.460   6.307   6.307
    8   2HG   LYS   1          1HG       LYS   1   8.584   5.114   5.114
    9   1HD   LYS   1          1HD       LYS   1  10.299   6.174   6.174
   10   2HD   LYS   1          2HD       LYS   1   9.693   5.729   5.729
   11   1HE   LYS   1          1HE       LYS   1   8.963   7.880   7.880
   12   2HE   LYS   1          2HE       LYS   1   8.074   7.978   7.978
   13   1HZ   LYS   1          3HZ       LYS   1  10.227   8.378   8.378
   14   2HZ   LYS   1          1HZ       LYS   1  10.987   8.442   8.442
   15   3HZ   LYS   1          2HZ       LYS   1   9.811   9.577   9.577
   16    H    TYR   2           H        TYR   2   7.544   3.477   3.477
   17    HA   TYR   2           HA       TYR   2   4.801   2.132   2.132
   18   1HB   TYR   2          1HB       TYR   2   6.802   0.547   0.547
   19   2HB   TYR   2          2HB       TYR   2   7.090   1.622   1.622
   20    HD1  TYR   2           HD1      TYR   2   4.134  -0.278  -0.278
   21    HD2  TYR   2           HD2      TYR   2   6.215   1.080   1.080
   22    HE1  TYR   2           HE1      TYR   2   2.522  -1.478  -1.478
   23    HE2  TYR   2           HE2      TYR   2   4.601  -0.113  -0.113
   24    HH   TYR   2           HH       TYR   2   2.975  -2.344  -2.344
   25    H    TYR   3           H        TYR   3   3.936   4.154   4.154
   26    HA   TYR   3           HA       TYR   3   4.757   6.188   6.188
   27   1HB   TYR   3          2HB       TYR   3   1.917   5.458   5.458
   28   2HB   TYR   3          1HB       TYR   3   2.220   6.860   6.860
   29    HD1  TYR   3           HD1      TYR   3   2.847   5.284   5.284
   30    HD2  TYR   3           HD2      TYR   3   3.149   8.892   8.892
   31    HE1  TYR   3           HE1      TYR   3   3.311   6.575   6.575
   32    HE2  TYR   3           HE2      TYR   3   3.608  10.167  10.167
   33    HH   TYR   3           HH       TYR   3   4.703   9.097   9.097
   34    H    GLY   4           H        GLY   4   4.146   6.771   6.771
   35   1HA   GLY   4          1HA       GLY   4   4.179   4.609   4.609
   36   2HA   GLY   4          2HA       GLY   4   3.723   6.281   6.281
   37    H    ASN   5           H        ASN   5   2.793   3.584   3.584
   38    HA   ASN   5           HA       ASN   5   0.698   2.929   2.929
   39   1HB   ASN   5          2HB       ASN   5  -0.764   5.220   5.220
   40   2HB   ASN   5          1HB       ASN   5  -1.182   4.463   4.463
   41   1HD2  ASN   5          1HD2      ASN   5   0.775   7.829   7.829
   42   2HD2  ASN   5          2HD2      ASN   5  -0.293   7.289   7.289
   43    H    GLY   6           H        GLY   6   1.711   1.778   1.778
   44   1HA   GLY   6          1HA       GLY   6   1.000   0.140   0.140
   45   2HA   GLY   6          2HA       GLY   6  -0.528   0.094   0.094
   46    H    VAL   7           H        VAL   7   1.114   2.506   2.506
   47    HA   VAL   7           HA       VAL   7  -1.263   2.231   2.231
   48    HB   VAL   7           HB       VAL   7   0.084   4.693   4.693
   49   1HG1  VAL   7          1HG1      VAL   7  -1.340   4.893   4.893
   50   2HG1  VAL   7          2HG1      VAL   7  -0.851   6.268   6.268
   51   3HG1  VAL   7          3HG1      VAL   7   0.378   5.232   5.232
   52   1HG2  VAL   7          2HG2      VAL   7  -2.195   4.008   4.008
   53   2HG2  VAL   7          3HG2      VAL   7  -2.211   5.630   5.630
   54   3HG2  VAL   7          1HG2      VAL   7  -2.897   4.261   4.261
   55    H    HIS   8           H        HIS   8  -0.801   1.766   1.766
   56    HA   HIS   8           HA       HIS   8   2.047   2.428   2.428
   57   1HB   HIS   8          1HB       HIS   8   0.465   0.122   0.122
   58   2HB   HIS   8          2HB       HIS   8   2.198   0.203   0.203
   59    HD1  HIS   8           HD1      HIS   8  -1.133  -0.441  -0.441
   60    HD2  HIS   8           HD2      HIS   8   3.121  -1.087  -1.087
   61    HE1  HIS   8           HE1      HIS   8  -0.478  -2.053  -2.053
   62    HE2  HIS   8           HE2      HIS   8   2.098  -2.538  -2.538
   63    H    CYS   9           H        CYS   9   1.912   4.115   4.115
   64    HA   CYS   9           HA       CYS   9  -0.207   4.283   4.283
   65   1HB   CYS   9          1HB       CYS   9   1.728   6.167   6.167
   66   2HB   CYS   9          2HB       CYS   9   1.538   6.466   6.466
   67    H    THR  10           H        THR  10   0.171   2.731   2.731
   68    HA   THR  10           HA       THR  10   2.993   2.767   2.767
   69    HB   THR  10           HB       THR  10   3.114   0.965   0.965
   70    HG1  THR  10           HG1      THR  10   3.290  -0.821  -0.821
   71   1HG2  THR  10          3HG2      THR  10   0.480  -0.258  -0.258
   72   2HG2  THR  10          1HG2      THR  10   1.569  -1.019  -1.019
   73   3HG2  THR  10          2HG2      THR  10   0.691   0.448   0.448
   74    H    LYS  11           H        LYS  11   0.963   0.233   0.233
   75    HA   LYS  11           HA       LYS  11   1.539   0.737   0.737
   76   1HB   LYS  11          1HB       LYS  11  -0.770  -0.547  -0.547
   77   2HB   LYS  11          2HB       LYS  11   0.549  -1.378  -1.378
   78   1HG   LYS  11          1HG       LYS  11  -0.496  -1.164  -1.164
   79   2HG   LYS  11          2HG       LYS  11  -1.522   0.173   0.173
   80   1HD   LYS  11          1HD       LYS  11  -3.072  -1.569  -1.569
   81   2HD   LYS  11          2HD       LYS  11  -2.569  -1.747  -1.747
   82   1HE   LYS  11          1HE       LYS  11  -2.078  -3.949  -3.949
   83   2HE   LYS  11          2HE       LYS  11  -0.569  -3.263  -3.263
   84   1HZ   LYS  11          2HZ       LYS  11  -1.994  -2.794  -2.794
   85   2HZ   LYS  11          3HZ       LYS  11  -2.999  -3.994  -3.994
   86   3HZ   LYS  11          1HZ       LYS  11  -1.387  -4.337  -4.337
   87    H    SER  12           H        SER  12  -1.476   1.610   1.610
   88    HA   SER  12           HA       SER  12  -1.884   4.143   4.143
   89   1HB   SER  12          2HB       SER  12  -3.433   3.649   3.649
   90   2HB   SER  12          1HB       SER  12  -1.803   3.076   3.076
   91    HG   SER  12           HG       SER  12  -3.720   1.623   1.623
   92    H    GLY  13           H        GLY  13  -2.352   2.897   2.897
   93   1HA   GLY  13          2HA       GLY  13  -5.445   2.912   2.912
   94   2HA   GLY  13          1HA       GLY  13  -4.479   1.794   1.794
   95    H    CYS  14           H        CYS  14  -2.467   3.548   3.548
   96    HA   CYS  14           HA       CYS  14  -2.065   4.651   4.651
   97   1HB   CYS  14          1HB       CYS  14  -3.601   6.453   6.453
   98   2HB   CYS  14          2HB       CYS  14  -3.630   7.011   7.011
   99    H    SER  15           H        SER  15  -2.925   3.136   3.136
  100    HA   SER  15           HA       SER  15  -5.400   4.074   4.074
  101   1HB   SER  15          1HB       SER  15  -6.760   2.030   2.030
  102   2HB   SER  15          2HB       SER  15  -6.458   2.804   2.804
  103    HG   SER  15           HG       SER  15  -5.166   0.507   0.507
  104    H    VAL  16           H        VAL  16  -6.153   2.215   2.215
  105    HA   VAL  16           HA       VAL  16  -3.578   1.601   1.601
  106    HB   VAL  16           HB       VAL  16  -5.746   3.228   3.228
  107   1HG1  VAL  16          1HG1      VAL  16  -6.373   0.565   0.565
  108   2HG1  VAL  16          2HG1      VAL  16  -7.064   2.158   2.158
  109   3HG1  VAL  16          3HG1      VAL  16  -7.437   1.416   1.416
  110   1HG2  VAL  16          2HG2      VAL  16  -3.544   3.146   3.146
  111   2HG2  VAL  16          3HG2      VAL  16  -4.937   3.219   3.219
  112   3HG2  VAL  16          1HG2      VAL  16  -4.085   1.673   1.673
  113    H    ASN  17           H        ASN  17  -3.288  -0.146  -0.146
  114    HA   ASN  17           HA       ASN  17  -5.249  -2.452  -2.452
  115   1HB   ASN  17          1HB       ASN  17  -2.320  -2.259  -2.259
  116   2HB   ASN  17          2HB       ASN  17  -2.737  -3.313  -3.313
  117   1HD2  ASN  17          1HD2      ASN  17  -3.780  -4.660  -4.660
  118   2HD2  ASN  17          2HD2      ASN  17  -4.084  -2.884  -2.884
  119    H    TRP  18           H        TRP  18  -6.655  -1.517  -1.517
  120    HA   TRP  18           HA       TRP  18  -6.131  -0.623  -0.623
  121   1HB   TRP  18          1HB       TRP  18  -8.550  -1.901  -1.901
  122   2HB   TRP  18          2HB       TRP  18  -8.667  -1.694  -1.694
  123    HD1  TRP  18           HD1      TRP  18  -9.505   0.150   0.150
  124    HE1  TRP  18           HE1      TRP  18  -9.759   2.777   2.777
  125    HE3  TRP  18           HE3      TRP  18  -7.223   0.382   0.382
  126    HZ2  TRP  18           HZ2      TRP  18  -8.928   4.560   4.560
  127    HZ3  TRP  18           HZ3      TRP  18  -6.897   2.592   2.592
  128    HH2  TRP  18           HH2      TRP  18  -7.661   4.659   4.659
  129    H    GLY  19           H        GLY  19  -6.034  -3.910  -3.910
  130   1HA   GLY  19          1HA       GLY  19  -6.430  -5.076  -5.076
  131   2HA   GLY  19          2HA       GLY  19  -5.803  -5.933  -5.933
  132    H    GLU  20           H        GLU  20  -3.687  -4.625  -4.625
  133    HA   GLU  20           HA       GLU  20  -1.705  -5.480  -5.480
  134   1HB   GLU  20          1HB       GLU  20  -1.518  -3.755  -3.755
  135   2HB   GLU  20          2HB       GLU  20  -0.092  -4.164  -4.164
  136   1HG   GLU  20          1HG       GLU  20  -1.972  -6.222  -6.222
  137   2HG   GLU  20          2HG       GLU  20  -0.456  -5.669  -5.669
  138    HE2  GLU  20           HE2      GLU  20  -0.259  -8.932  -8.932
  139    H    ALA  21           H        ALA  21  -3.404  -2.567  -2.567
  140    HA   ALA  21           HA       ALA  21  -1.327  -0.931  -0.931
  141   1HB   ALA  21          2HB       ALA  21  -2.792   0.117   0.117
  142   2HB   ALA  21          3HB       ALA  21  -4.252  -0.293  -0.293
  143   3HB   ALA  21          1HB       ALA  21  -3.088   0.894   0.894
  144    H    PHE  22           H        PHE  22  -4.380  -2.552  -2.552
  145    HA   PHE  22           HA       PHE  22  -4.653  -1.762  -1.762
  146   1HB   PHE  22          1HB       PHE  22  -6.559  -2.935  -2.935
  147   2HB   PHE  22          2HB       PHE  22  -5.591  -4.124  -4.124
  148    HD1  PHE  22           HD1      PHE  22  -6.898  -3.131  -3.131
  149    HD2  PHE  22           HD2      PHE  22  -4.964  -6.232  -6.232
  150    HE1  PHE  22           HE1      PHE  22  -7.362  -4.736  -4.736
  151    HE2  PHE  22           HE2      PHE  22  -5.425  -7.833  -7.833
  152    HZ   PHE  22           HZ       PHE  22  -6.632  -7.092  -7.092
  153    H    SER  23           H        SER  23  -2.886  -4.330  -4.330
  154    HA   SER  23           HA       SER  23  -1.833  -5.557  -5.557
  155   1HB   SER  23          1HB       SER  23  -0.842  -5.506  -5.506
  156   2HB   SER  23          2HB       SER  23   0.127  -6.288  -6.288
  157    HG   SER  23           HG       SER  23  -1.850  -7.325  -7.325
  158    H    ALA  24           H        ALA  24  -0.507  -3.057  -3.057
  159    HA   ALA  24           HA       ALA  24   1.859  -2.475  -2.475
  160   1HB   ALA  24          2HB       ALA  24   1.297  -1.429  -1.429
  161   2HB   ALA  24          3HB       ALA  24  -0.026  -0.499  -0.499
  162   3HB   ALA  24          1HB       ALA  24   1.665  -0.162  -0.162
  163    H    GLY  25           H        GLY  25  -1.463  -1.445  -1.445
  164   1HA   GLY  25          2HA       GLY  25  -0.755   0.284   0.284
  165   2HA   GLY  25          1HA       GLY  25  -2.393  -0.128  -0.128
  166    H    VAL  26           H        VAL  26  -1.760  -3.023  -3.023
  167    HA   VAL  26           HA       VAL  26  -2.361  -3.598  -3.598
  168    HB   VAL  26           HB       VAL  26  -2.630  -4.939  -4.939
  169   1HG1  VAL  26          2HG2      VAL  26  -0.587  -6.534  -6.534
  170   2HG1  VAL  26          3HG2      VAL  26  -1.562  -7.242  -7.242
  171   3HG1  VAL  26          1HG2      VAL  26  -0.381  -5.962  -5.962
  172   1HG2  VAL  26          1HG1      VAL  26  -4.270  -5.326  -5.326
  173   2HG2  VAL  26          2HG1      VAL  26  -3.683  -6.881  -6.881
  174   3HG2  VAL  26          3HG1      VAL  26  -3.065  -6.287  -6.287
  175    H    HIS  27           H        HIS  27   0.446  -3.781  -3.781
  176    HA   HIS  27           HA       HIS  27   2.220  -4.915  -4.915
  177   1HB   HIS  27          2HB       HIS  27   2.508  -3.150  -3.150
  178   2HB   HIS  27          1HB       HIS  27   3.961  -3.418  -3.418
  179    HD1  HIS  27           HD1      HIS  27   1.295  -6.265  -6.265
  180    HD2  HIS  27           HD2      HIS  27   5.234  -4.832  -4.832
  181    HE1  HIS  27           HE1      HIS  27   2.504  -8.033  -8.033
  182    HE2  HIS  27           HE2      HIS  27   4.931  -7.290  -7.290
  183    H    ARG  28           H        ARG  28   1.432  -1.611  -1.611
  184    HA   ARG  28           HA       ARG  28   3.081  -0.451  -0.451
  185   1HB   ARG  28          1HB       ARG  28   2.714   1.262   1.262
  186   2HB   ARG  28          2HB       ARG  28   1.299   0.479   0.479
  187   1HG   ARG  28          1HG       ARG  28  -0.144   1.450   1.450
  188   2HG   ARG  28          2HG       ARG  28   1.288   2.116   2.116
  189   1HD   ARG  28          1HD       ARG  28   0.066   2.927   2.927
  190   2HD   ARG  28          2HD       ARG  28   0.210   3.914   3.914
  191    HE   ARG  28           HE       ARG  28   2.709   2.818   2.818
  192   1HH1  ARG  28          2HH1      ARG  28   0.880   5.620   5.620
  193   2HH1  ARG  28          1HH1      ARG  28   2.290   6.753   6.753
  194   1HH2  ARG  28          1HH2      ARG  28   4.177   4.112   4.112
  195   2HH2  ARG  28          2HH2      ARG  28   4.081   5.943   5.943
  196    H    LEU  29           H        LEU  29  -0.181  -1.644  -1.644
  197    HA   LEU  29           HA       LEU  29  -1.070  -0.468  -0.468
  198   1HB   LEU  29          1HB       LEU  29  -2.912  -1.037  -1.037
  199   2HB   LEU  29          2HB       LEU  29  -2.133  -2.454  -2.454
  200    HG   LEU  29           HG       LEU  29  -2.819  -3.878  -3.878
  201   1HD1  LEU  29          3HD2      LEU  29  -2.124  -2.322  -2.322
  202   2HD1  LEU  29          1HD2      LEU  29  -3.662  -1.471  -1.471
  203   3HD1  LEU  29          2HD2      LEU  29  -3.650  -3.195  -3.195
  204   1HD2  LEU  29          2HD1      LEU  29  -4.706  -3.057  -3.057
  205   2HD2  LEU  29          3HD1      LEU  29  -5.286  -3.547  -3.547
  206   3HD2  LEU  29          1HD1      LEU  29  -5.109  -1.822  -1.822
  207    H    ALA  30           H        ALA  30   0.153  -3.627  -3.627
  208    HA   ALA  30           HA       ALA  30  -0.107  -4.609  -4.609
  209   1HB   ALA  30          2HB       ALA  30  -0.618  -6.125  -6.125
  210   2HB   ALA  30          3HB       ALA  30   1.044  -5.942  -5.942
  211   3HB   ALA  30          1HB       ALA  30   0.742  -6.784  -6.784
  212    H    ASN  31           H        ASN  31   2.102  -2.670  -2.670
  213    HA   ASN  31           HA       ASN  31   4.622  -3.672  -3.672
  214   1HB   ASN  31          1HB       ASN  31   4.667  -1.648  -1.648
  215   2HB   ASN  31          2HB       ASN  31   3.465  -0.835  -0.835
  216   1HD2  ASN  31          1HD2      ASN  31   6.406   0.894   0.894
  217   2HD2  ASN  31          2HD2      ASN  31   4.952   0.954   0.954
  218    H    GLY  32           H        GLY  32   2.355  -1.509  -1.509
  219   1HA   GLY  32          2HA       GLY  32   1.757  -1.560  -1.560
  220   2HA   GLY  32          1HA       GLY  32   2.669  -3.072  -3.072
  221    H    GLY  33           H        GLY  33   3.241   0.370   0.370
  222   1HA   GLY  33          2HA       GLY  33   5.269   0.405   0.405
  223   2HA   GLY  33          1HA       GLY  33   5.693   1.118   1.118
  224    H    ASN  34           H        ASN  34   5.171   3.047   3.047
  225    HA   ASN  34           HA       ASN  34   3.695   4.712   4.712
  226   1HB   ASN  34          2HB       ASN  34   4.200   6.274   6.274
  227   2HB   ASN  34          1HB       ASN  34   5.174   6.237   6.237
  228   1HD2  ASN  34          1HD2      ASN  34   7.935   4.865   4.865
  229   2HD2  ASN  34          2HD2      ASN  34   7.210   5.463   5.463
  230    H    GLY  35           H        GLY  35   3.210   3.481   3.481
  231   1HA   GLY  35          1HA       GLY  35   0.721   3.071   3.071
  232   2HA   GLY  35          2HA       GLY  35   0.350   4.652   4.652
  233    H    PHE  36           H        PHE  36  -0.001   6.155   6.155
  234    HA   PHE  36           HA       PHE  36   1.099   5.983   5.983
  235   1HB   PHE  36          2HB       PHE  36  -1.163   7.147   7.147
  236   2HB   PHE  36          1HB       PHE  36  -0.143   8.504   8.504
  237    HD1  PHE  36           HD2      PHE  36   1.054   9.756   9.756
  238    HD2  PHE  36           HD1      PHE  36  -1.829   6.661   6.661
  239    HE1  PHE  36           HE2      PHE  36   0.744  10.597  10.597
  240    HE2  PHE  36           HE1      PHE  36  -2.156   7.526   7.526
  241    HZ   PHE  36           HZ       PHE  36  -0.871   9.493   9.493
  242    H    TRP  37           H        TRP  37   2.467   6.888   6.888
  243    HA   TRP  37           HA       TRP  37   4.277   8.344   8.344
  244   1HB   TRP  37          2HB       TRP  37   5.022   6.550   6.550
  245   2HB   TRP  37          1HB       TRP  37   5.421   8.065   8.065
  246    HD1  TRP  37           HD1      TRP  37   7.662   5.934   5.934
  247    HE1  TRP  37           HE1      TRP  37   9.725   6.616   6.616
  248    HE3  TRP  37           HE3      TRP  37   5.380   9.858   9.858
  249    HZ2  TRP  37           HZ2      TRP  37  10.107   8.680   8.680
  250    HZ3  TRP  37           HZ3      TRP  37   6.559  11.002  11.002
  251    HH2  TRP  37           HH2      TRP  37   8.889  10.422  10.422
  252    HXT  TRP  37           HXT      TRP  37   2.802  11.082  11.082

  Start of MODEL   11
    1   1H    LYS   1          3H        LYS   1   7.279   4.377   4.377
    2   2H    LYS   1          1H        LYS   1   6.767   5.931   5.931
    3   3H    LYS   1          2H        LYS   1   8.394   5.525   5.525
    4    HA   LYS   1           HA       LYS   1   8.682   5.340   5.340
    5   1HB   LYS   1          1HB       LYS   1   8.341   7.716   7.716
    6   2HB   LYS   1          2HB       LYS   1   6.837   7.790   7.790
    7   1HG   LYS   1          2HG       LYS   1   8.536   7.135   7.135
    8   2HG   LYS   1          1HG       LYS   1   9.718   7.903   7.903
    9   1HD   LYS   1          1HD       LYS   1   7.843   9.845   9.845
   10   2HD   LYS   1          2HD       LYS   1   7.411   9.185   9.185
   11   1HE   LYS   1          1HE       LYS   1   9.691   9.482   9.482
   12   2HE   LYS   1          2HE       LYS   1  10.363   9.805   9.805
   13   1HZ   LYS   1          3HZ       LYS   1   8.587  11.707  11.707
   14   2HZ   LYS   1          1HZ       LYS   1   8.694  11.542  11.542
   15   3HZ   LYS   1          2HZ       LYS   1  10.069  11.904  11.904
   16    H    TYR   2           H        TYR   2   8.046   4.481   4.481
   17    HA   TYR   2           HA       TYR   2   5.201   3.733   3.733
   18   1HB   TYR   2          1HB       TYR   2   7.693   2.949   2.949
   19   2HB   TYR   2          2HB       TYR   2   7.024   3.884   3.884
   20    HD1  TYR   2           HD2      TYR   2   4.631   3.282   3.282
   21    HD2  TYR   2           HD1      TYR   2   7.010   0.644   0.644
   22    HE1  TYR   2           HE2      TYR   2   3.330   1.362   1.362
   23    HE2  TYR   2           HE1      TYR   2   5.700  -1.278  -1.278
   24    HH   TYR   2           HH       TYR   2   4.308  -1.888  -1.888
   25    H    TYR   3           H        TYR   3   3.628   4.642   4.642
   26    HA   TYR   3           HA       TYR   3   4.248   7.341   7.341
   27   1HB   TYR   3          1HB       TYR   3   1.775   6.529   6.529
   28   2HB   TYR   3          2HB       TYR   3   1.849   8.002   8.002
   29    HD1  TYR   3           HD2      TYR   3   4.532   9.114   9.114
   30    HD2  TYR   3           HD1      TYR   3   1.774   7.162   7.162
   31    HE1  TYR   3           HE2      TYR   3   5.501  10.330  10.330
   32    HE2  TYR   3           HE1      TYR   3   2.749   8.397   8.397
   33    HH   TYR   3           HH       TYR   3   5.632   9.826   9.826
   34    H    GLY   4           H        GLY   4   4.451   6.081   6.081
   35   1HA   GLY   4          1HA       GLY   4   3.450   5.830   5.830
   36   2HA   GLY   4          2HA       GLY   4   1.880   6.316   6.316
   37    H    ASN   5           H        ASN   5   0.379   4.911   4.911
   38    HA   ASN   5           HA       ASN   5   0.846   2.222   2.222
   39   1HB   ASN   5          1HB       ASN   5  -1.628   1.954   1.954
   40   2HB   ASN   5          2HB       ASN   5  -1.437   2.653   2.653
   41   1HD2  ASN   5          1HD2      ASN   5  -2.563   5.828   5.828
   42   2HD2  ASN   5          2HD2      ASN   5  -1.846   4.867   4.867
   43    H    GLY   6           H        GLY   6   0.882   3.471   3.471
   44   1HA   GLY   6          1HA       GLY   6   2.242   1.738   1.738
   45   2HA   GLY   6          2HA       GLY   6   0.941   0.598   0.598
   46    H    VAL   7           H        VAL   7   0.678   4.098   4.098
   47    HA   VAL   7           HA       VAL   7  -1.125   3.421   3.421
   48    HB   VAL   7           HB       VAL   7  -0.450   6.108   6.108
   49   1HG1  VAL   7          1HG1      VAL   7  -2.707   5.633   5.633
   50   2HG1  VAL   7          2HG1      VAL   7  -2.460   7.123   7.123
   51   3HG1  VAL   7          3HG1      VAL   7  -1.258   6.639   6.639
   52   1HG2  VAL   7          2HG2      VAL   7  -1.825   4.607   4.607
   53   2HG2  VAL   7          3HG2      VAL   7  -2.708   6.062   6.062
   54   3HG2  VAL   7          1HG2      VAL   7  -3.088   4.503   4.503
   55    H    HIS   8           H        HIS   8   0.707   2.482   2.482
   56    HA   HIS   8           HA       HIS   8   3.057   4.168   4.168
   57   1HB   HIS   8          1HB       HIS   8   2.180   1.766   1.766
   58   2HB   HIS   8          2HB       HIS   8   3.800   2.129   2.129
   59    HD1  HIS   8           HD1      HIS   8   0.634   0.135   0.135
   60    HD2  HIS   8           HD2      HIS   8   4.392   1.503   1.503
   61    HE1  HIS   8           HE1      HIS   8   1.171  -1.184  -1.184
   62    HE2  HIS   8           HE2      HIS   8   3.448  -0.453  -0.453
   63    H    CYS   9           H        CYS   9   3.846   4.571   4.571
   64    HA   CYS   9           HA       CYS   9   1.688   5.000   5.000
   65   1HB   CYS   9          1HB       CYS   9   2.412   7.147   7.147
   66   2HB   CYS   9          2HB       CYS   9   3.412   7.438   7.438
   67    H    THR  10           H        THR  10   2.453   3.730   3.730
   68    HA   THR  10           HA       THR  10   5.370   3.302   3.302
   69    HB   THR  10           HB       THR  10   4.374   2.268   2.268
   70    HG1  THR  10           HG1      THR  10   2.278   1.539   1.539
   71   1HG2  THR  10          3HG2      THR  10   3.816   0.905   0.905
   72   2HG2  THR  10          1HG2      THR  10   3.826   0.086   0.086
   73   3HG2  THR  10          2HG2      THR  10   5.324   0.752   0.752
   74    H    LYS  11           H        LYS  11   3.332   4.041   4.041
   75    HA   LYS  11           HA       LYS  11   4.732   6.578   6.578
   76   1HB   LYS  11          1HB       LYS  11   6.531   5.775   5.775
   77   2HB   LYS  11          2HB       LYS  11   6.162   4.162   4.162
   78   1HG   LYS  11          1HG       LYS  11   4.319   4.581   4.581
   79   2HG   LYS  11          2HG       LYS  11   5.837   5.294   5.294
   80   1HD   LYS  11          1HD       LYS  11   6.203   3.116   3.116
   81   2HD   LYS  11          2HD       LYS  11   6.773   2.889   2.889
   82   1HE   LYS  11          1HE       LYS  11   4.688   1.917   1.917
   83   2HE   LYS  11          2HE       LYS  11   3.759   2.589   2.589
   84   1HZ   LYS  11          2HZ       LYS  11   5.970   0.854   0.854
   85   2HZ   LYS  11          3HZ       LYS  11   4.693   0.107   0.107
   86   3HZ   LYS  11          1HZ       LYS  11   4.410   0.962   0.962
   87    H    SER  12           H        SER  12   3.075   3.699   3.699
   88    HA   SER  12           HA       SER  12   1.498   5.288   5.288
   89   1HB   SER  12          1HB       SER  12   0.205   3.180   3.180
   90   2HB   SER  12          2HB       SER  12   1.931   2.867   2.867
   91    HG   SER  12           HG       SER  12   1.045   2.597   2.597
   92    H    GLY  13           H        GLY  13   1.393   5.149   5.149
   93   1HA   GLY  13          2HA       GLY  13  -0.586   6.913   6.913
   94   2HA   GLY  13          1HA       GLY  13  -1.642   5.600   5.600
   95    H    CYS  14           H        CYS  14  -1.630   6.738   6.738
   96    HA   CYS  14           HA       CYS  14  -0.137   5.059   5.059
   97   1HB   CYS  14          1HB       CYS  14  -2.323   7.124   7.124
   98   2HB   CYS  14          2HB       CYS  14  -2.510   5.913   5.913
   99    H    SER  15           H        SER  15  -0.910   3.537   3.537
  100    HA   SER  15           HA       SER  15  -3.324   1.949   1.949
  101   1HB   SER  15          1HB       SER  15  -1.301   1.292   1.292
  102   2HB   SER  15          2HB       SER  15  -0.614   0.483   0.483
  103    HG   SER  15           HG       SER  15  -2.631  -0.288  -0.288
  104    H    VAL  16           H        VAL  16  -3.871   2.621   2.621
  105    HA   VAL  16           HA       VAL  16  -2.275   1.935   1.935
  106    HB   VAL  16           HB       VAL  16  -5.299   2.432   2.432
  107   1HG1  VAL  16          2HG2      VAL  16  -3.859   2.085   2.085
  108   2HG1  VAL  16          3HG2      VAL  16  -5.461   2.808   2.808
  109   3HG1  VAL  16          1HG2      VAL  16  -5.202   1.102   1.102
  110   1HG2  VAL  16          1HG1      VAL  16  -3.955   4.543   4.543
  111   2HG2  VAL  16          2HG1      VAL  16  -4.943   4.622   4.622
  112   3HG2  VAL  16          3HG1      VAL  16  -3.221   4.311   4.311
  113    H    ASN  17           H        ASN  17  -2.415   0.430   0.430
  114    HA   ASN  17           HA       ASN  17  -3.845  -2.149  -2.149
  115   1HB   ASN  17          1HB       ASN  17  -1.073  -1.805  -1.805
  116   2HB   ASN  17          2HB       ASN  17  -1.522  -2.342  -2.342
  117   1HD2  ASN  17          1HD2      ASN  17  -0.858  -5.141  -5.141
  118   2HD2  ASN  17          2HD2      ASN  17  -0.143  -3.436  -3.436
  119    H    TRP  18           H        TRP  18  -5.692  -1.743  -1.743
  120    HA   TRP  18           HA       TRP  18  -5.880  -0.647  -0.647
  121   1HB   TRP  18          1HB       TRP  18  -7.819  -2.014  -2.014
  122   2HB   TRP  18          2HB       TRP  18  -8.373  -1.715  -1.715
  123    HD1  TRP  18           HD1      TRP  18  -8.413  -0.061  -0.061
  124    HE1  TRP  18           HE1      TRP  18  -8.731   2.580   2.580
  125    HE3  TRP  18           HE3      TRP  18  -7.307   0.471   0.471
  126    HZ2  TRP  18           HZ2      TRP  18  -8.460   4.489   4.489
  127    HZ3  TRP  18           HZ3      TRP  18  -7.419   2.726   2.726
  128    HH2  TRP  18           HH2      TRP  18  -7.891   4.717   4.717
  129    H    GLY  19           H        GLY  19  -4.922  -3.723  -3.723
  130   1HA   GLY  19          1HA       GLY  19  -5.988  -4.896  -4.896
  131   2HA   GLY  19          2HA       GLY  19  -5.216  -5.821  -5.821
  132    H    GLU  20           H        GLU  20  -3.006  -4.247  -4.247
  133    HA   GLU  20           HA       GLU  20  -1.213  -5.041  -5.041
  134   1HB   GLU  20          1HB       GLU  20  -1.073  -3.703  -3.703
  135   2HB   GLU  20          2HB       GLU  20   0.035  -2.941  -2.941
  136   1HG   GLU  20          1HG       GLU  20   1.249  -5.105  -5.105
  137   2HG   GLU  20          2HG       GLU  20   0.056  -6.001  -6.001
  138    HE1  GLU  20           HE2      GLU  20   2.438  -3.656  -3.656
  139    H    ALA  21           H        ALA  21  -3.286  -2.393  -2.393
  140    HA   ALA  21           HA       ALA  21  -1.595  -0.621  -0.621
  141   1HB   ALA  21          2HB       ALA  21  -2.934   0.390   0.390
  142   2HB   ALA  21          3HB       ALA  21  -4.443  -0.249  -0.249
  143   3HB   ALA  21          1HB       ALA  21  -3.521   1.009   1.009
  144    H    PHE  22           H        PHE  22  -4.501  -2.588  -2.588
  145    HA   PHE  22           HA       PHE  22  -5.208  -2.021  -2.021
  146   1HB   PHE  22          1HB       PHE  22  -6.913  -3.323  -3.323
  147   2HB   PHE  22          2HB       PHE  22  -5.844  -4.105  -4.105
  148    HD1  PHE  22           HD2      PHE  22  -4.560  -6.207  -6.207
  149    HD2  PHE  22           HD1      PHE  22  -7.498  -4.375  -4.375
  150    HE1  PHE  22           HE2      PHE  22  -4.827  -8.326  -8.326
  151    HE2  PHE  22           HE1      PHE  22  -7.750  -6.489  -6.489
  152    HZ   PHE  22           HZ       PHE  22  -6.417  -8.470  -8.470
  153    H    SER  23           H        SER  23  -3.207  -4.569  -4.569
  154    HA   SER  23           HA       SER  23  -2.386  -5.643  -5.643
  155   1HB   SER  23          1HB       SER  23  -2.060  -6.429  -6.429
  156   2HB   SER  23          2HB       SER  23  -0.412  -6.102  -6.102
  157    HG   SER  23           HG       SER  23  -0.471  -7.850  -7.850
  158    H    ALA  24           H        ALA  24  -1.038  -3.265  -3.265
  159    HA   ALA  24           HA       ALA  24   1.469  -2.794  -2.794
  160   1HB   ALA  24          2HB       ALA  24   0.783  -1.707  -1.707
  161   2HB   ALA  24          3HB       ALA  24  -0.446  -0.737  -0.737
  162   3HB   ALA  24          1HB       ALA  24   1.284  -0.466  -0.466
  163    H    GLY  25           H        GLY  25  -1.736  -1.464  -1.464
  164   1HA   GLY  25          2HA       GLY  25  -0.706   0.166   0.166
  165   2HA   GLY  25          1HA       GLY  25  -2.411  -0.042  -0.042
  166    H    VAL  26           H        VAL  26  -1.943  -3.068  -3.068
  167    HA   VAL  26           HA       VAL  26  -2.636  -3.541  -3.541
  168    HB   VAL  26           HB       VAL  26  -1.617  -5.481  -5.481
  169   1HG1  VAL  26          1HG1      VAL  26  -3.189  -6.273  -6.273
  170   2HG1  VAL  26          2HG1      VAL  26  -2.798  -7.363  -7.363
  171   3HG1  VAL  26          3HG1      VAL  26  -1.502  -6.702  -6.702
  172   1HG2  VAL  26          2HG2      VAL  26  -3.767  -4.351  -4.351
  173   2HG2  VAL  26          3HG2      VAL  26  -3.988  -6.088  -6.088
  174   3HG2  VAL  26          1HG2      VAL  26  -4.576  -4.942  -4.942
  175    H    HIS  27           H        HIS  27   0.192  -4.513  -4.513
  176    HA   HIS  27           HA       HIS  27   1.702  -5.274  -5.274
  177   1HB   HIS  27          2HB       HIS  27   3.577  -5.534  -5.534
  178   2HB   HIS  27          1HB       HIS  27   2.157  -5.759  -5.759
  179    HD1  HIS  27           HD1      HIS  27   2.128  -4.273  -4.273
  180    HD2  HIS  27           HD2      HIS  27   4.451  -2.853  -2.853
  181    HE1  HIS  27           HE1      HIS  27   3.415  -2.231  -2.231
  182    HE2  HIS  27           HE2      HIS  27   4.879  -1.256  -1.256
  183    H    ARG  28           H        ARG  28   1.192  -2.213  -2.213
  184    HA   ARG  28           HA       ARG  28   3.159  -0.818  -0.818
  185   1HB   ARG  28          1HB       ARG  28   2.426   0.204   0.204
  186   2HB   ARG  28          2HB       ARG  28   0.739   0.143   0.143
  187   1HG   ARG  28          2HG       ARG  28   0.937   2.050   2.050
  188   2HG   ARG  28          1HG       ARG  28   2.634   1.763   1.763
  189   1HD   ARG  28          1HD       ARG  28   2.606   2.233   2.233
  190   2HD   ARG  28          2HD       ARG  28   1.473   3.424   3.424
  191    HE   ARG  28           HE       ARG  28   3.628   3.495   3.495
  192   1HH1  ARG  28          2HH1      ARG  28   3.443   3.892   3.892
  193   2HH1  ARG  28          1HH1      ARG  28   4.911   5.011   5.011
  194   1HH2  ARG  28          1HH2      ARG  28   5.206   4.713   4.713
  195   2HH2  ARG  28          2HH2      ARG  28   5.874   5.461   5.461
  196    H    LEU  29           H        LEU  29  -0.232  -1.638  -1.638
  197    HA   LEU  29           HA       LEU  29  -0.854  -0.265  -0.265
  198   1HB   LEU  29          2HB       LEU  29  -2.847  -1.050  -1.050
  199   2HB   LEU  29          1HB       LEU  29  -2.078  -2.314  -2.314
  200    HG   LEU  29           HG       LEU  29  -2.248  -3.937  -3.937
  201   1HD1  LEU  29          3HD2      LEU  29  -1.659  -2.388  -2.388
  202   2HD1  LEU  29          1HD2      LEU  29  -3.323  -1.795  -1.795
  203   3HD1  LEU  29          2HD2      LEU  29  -2.998  -3.515  -3.515
  204   1HD2  LEU  29          2HD1      LEU  29  -4.348  -3.358  -3.358
  205   2HD2  LEU  29          3HD1      LEU  29  -4.714  -4.021  -4.021
  206   3HD2  LEU  29          1HD1      LEU  29  -4.849  -2.272  -2.272
  207    H    ALA  30           H        ALA  30   0.626  -3.367  -3.367
  208    HA   ALA  30           HA       ALA  30   0.906  -3.813  -3.813
  209   1HB   ALA  30          2HB       ALA  30   0.078  -5.729  -5.729
  210   2HB   ALA  30          3HB       ALA  30   1.548  -5.651  -5.651
  211   3HB   ALA  30          1HB       ALA  30   1.652  -6.140  -6.140
  212    H    ASN  31           H        ASN  31   2.300  -1.693  -1.693
  213    HA   ASN  31           HA       ASN  31   5.009  -2.477  -2.477
  214   1HB   ASN  31          1HB       ASN  31   4.956  -2.714  -2.714
  215   2HB   ASN  31          2HB       ASN  31   4.756  -0.980  -0.980
  216   1HD2  ASN  31          1HD2      ASN  31   8.247  -0.506  -0.506
  217   2HD2  ASN  31          2HD2      ASN  31   6.587   0.216   0.216
  218    H    GLY  32           H        GLY  32   3.544  -1.264  -1.264
  219   1HA   GLY  32          1HA       GLY  32   3.245   1.657   1.657
  220   2HA   GLY  32          2HA       GLY  32   3.288   0.784   0.784
  221    H    GLY  33           H        GLY  33   5.207   0.405   0.405
  222   1HA   GLY  33          1HA       GLY  33   7.632   1.993   1.993
  223   2HA   GLY  33          2HA       GLY  33   7.204   1.954   1.954
  224    H    ASN  34           H        ASN  34   7.958   0.502   0.502
  225    HA   ASN  34           HA       ASN  34   9.710  -1.663  -1.663
  226   1HB   ASN  34          2HB       ASN  34   9.866  -1.742  -1.742
  227   2HB   ASN  34          1HB       ASN  34  10.991  -0.922  -0.922
  228   1HD2  ASN  34          1HD2      ASN  34   9.830   2.325   2.325
  229   2HD2  ASN  34          2HD2      ASN  34  10.489   1.385   1.385
  230    H    GLY  35           H        GLY  35   6.940  -1.978  -1.978
  231   1HA   GLY  35          1HA       GLY  35   5.990  -3.850  -3.850
  232   2HA   GLY  35          2HA       GLY  35   5.086  -3.392  -3.392
  233    H    PHE  36           H        PHE  36   4.877  -5.854  -5.854
  234    HA   PHE  36           HA       PHE  36   6.543  -7.304  -7.304
  235   1HB   PHE  36          1HB       PHE  36   7.179  -7.582  -7.582
  236   2HB   PHE  36          2HB       PHE  36   6.001  -8.853  -8.853
  237    HD1  PHE  36           HD2      PHE  36   6.439 -10.736 -10.736
  238    HD2  PHE  36           HD1      PHE  36   9.421  -7.833  -7.833
  239    HE1  PHE  36           HE2      PHE  36   8.211 -12.247 -12.247
  240    HE2  PHE  36           HE1      PHE  36  11.184  -9.348  -9.348
  241    HZ   PHE  36           HZ       PHE  36  10.585 -11.553 -11.553
  242    H    TRP  37           H        TRP  37   5.711  -9.310  -9.310
  243    HA   TRP  37           HA       TRP  37   2.799  -9.102  -9.102
  244   1HB   TRP  37          1HB       TRP  37   4.564 -10.255 -10.255
  245   2HB   TRP  37          2HB       TRP  37   4.648 -11.574 -11.574
  246    HD1  TRP  37           HD1      TRP  37   1.611  -9.792  -9.792
  247    HE1  TRP  37           HE1      TRP  37  -0.025 -11.621 -11.621
  248    HE3  TRP  37           HE3      TRP  37   4.192 -13.858 -13.858
  249    HZ2  TRP  37           HZ2      TRP  37   0.003 -14.465 -14.465
  250    HZ3  TRP  37           HZ3      TRP  37   3.381 -16.122 -16.122
  251    HH2  TRP  37           HH2      TRP  37   1.245 -16.424 -16.424
  252    HXT  TRP  37           HXT      TRP  37   1.621 -10.670 -10.670

  Start of MODEL   12
    1   1H    LYS   1          3H        LYS   1   8.425   2.874   2.874
    2   2H    LYS   1          1H        LYS   1  10.047   2.447   2.447
    3   3H    LYS   1          2H        LYS   1   8.853   1.344   1.344
    4    HA   LYS   1           HA       LYS   1   9.782   2.173   2.173
    5   1HB   LYS   1          1HB       LYS   1   8.962   4.992   4.992
    6   2HB   LYS   1          2HB       LYS   1  10.548   4.335   4.335
    7   1HG   LYS   1          1HG       LYS   1  11.255   4.368   4.368
    8   2HG   LYS   1          2HG       LYS   1   9.603   4.422   4.422
    9   1HD   LYS   1          1HD       LYS   1   9.405   6.792   6.792
   10   2HD   LYS   1          2HD       LYS   1  11.014   6.688   6.688
   11   1HE   LYS   1          1HE       LYS   1  11.811   5.902   5.902
   12   2HE   LYS   1          2HE       LYS   1  10.318   6.682   6.682
   13   1HZ   LYS   1          2HZ       LYS   1  11.160   8.584   8.584
   14   2HZ   LYS   1          3HZ       LYS   1  12.660   7.887   7.887
   15   3HZ   LYS   1          1HZ       LYS   1  11.720   8.443   8.443
   16    H    TYR   2           H        TYR   2   8.652   2.747   2.747
   17    HA   TYR   2           HA       TYR   2   5.641   2.556   2.556
   18   1HB   TYR   2          1HB       TYR   2   7.535   1.711   1.711
   19   2HB   TYR   2          2HB       TYR   2   6.484   2.882   2.882
   20    HD1  TYR   2           HD2      TYR   2   3.917   2.541   2.541
   21    HD2  TYR   2           HD1      TYR   2   6.751  -0.572  -0.572
   22    HE1  TYR   2           HE2      TYR   2   2.174   0.849   0.849
   23    HE2  TYR   2           HE1      TYR   2   4.993  -2.263  -2.263
   24    HH   TYR   2           HH       TYR   2   1.805  -1.366  -1.366
   25    H    TYR   3           H        TYR   3   4.179   3.903   3.903
   26    HA   TYR   3           HA       TYR   3   5.321   6.735   6.735
   27   1HB   TYR   3          1HB       TYR   3   2.956   5.739   5.739
   28   2HB   TYR   3          2HB       TYR   3   2.835   7.320   7.320
   29    HD1  TYR   3           HD1      TYR   3   6.126   6.025   6.025
   30    HD2  TYR   3           HD2      TYR   3   2.716   8.527   8.527
   31    HE1  TYR   3           HE1      TYR   3   7.306   7.067   7.067
   32    HE2  TYR   3           HE2      TYR   3   3.903   9.561   9.561
   33    HH   TYR   3           HH       TYR   3   5.994   8.609   8.609
   34    H    GLY   4           H        GLY   4   2.049   5.361   5.361
   35   1HA   GLY   4          2HA       GLY   4   1.751   6.816   6.816
   36   2HA   GLY   4          1HA       GLY   4   0.413   6.405   6.405
   37    H    ASN   5           H        ASN   5  -0.793   5.348   5.348
   38    HA   ASN   5           HA       ASN   5   0.296   3.444   3.444
   39   1HB   ASN   5          1HB       ASN   5  -2.262   4.624   4.624
   40   2HB   ASN   5          2HB       ASN   5  -2.552   2.913   2.913
   41   1HD2  ASN   5          1HD2      ASN   5  -2.552   4.384   4.384
   42   2HD2  ASN   5          2HD2      ASN   5  -2.443   5.456   5.456
   43    H    GLY   6           H        GLY   6  -0.155   3.110   3.110
   44   1HA   GLY   6          1HA       GLY   6   0.756   0.361   0.361
   45   2HA   GLY   6          2HA       GLY   6  -1.016   0.261   0.261
   46    H    VAL   7           H        VAL   7   1.001   2.793   2.793
   47    HA   VAL   7           HA       VAL   7  -0.261   2.099   2.099
   48    HB   VAL   7           HB       VAL   7   0.807   4.755   4.755
   49   1HG1  VAL   7          2HG2      VAL   7   1.365   4.550   4.550
   50   2HG1  VAL   7          3HG2      VAL   7  -0.369   4.471   4.471
   51   3HG1  VAL   7          1HG2      VAL   7   0.327   5.934   5.934
   52   1HG2  VAL   7          3HG1      VAL   7  -1.666   4.123   4.123
   53   2HG2  VAL   7          1HG1      VAL   7  -1.422   5.715   5.715
   54   3HG2  VAL   7          2HG1      VAL   7  -2.048   4.337   4.337
   55    H    HIS   8           H        HIS   8   0.873   2.023   2.023
   56    HA   HIS   8           HA       HIS   8   3.900   2.246   2.246
   57   1HB   HIS   8          1HB       HIS   8   2.490   0.079   0.079
   58   2HB   HIS   8          2HB       HIS   8   4.148   0.040   0.040
   59    HD1  HIS   8           HD1      HIS   8   0.482  -0.555  -0.555
   60    HD2  HIS   8           HD2      HIS   8   4.641  -0.877  -0.877
   61    HE1  HIS   8           HE1      HIS   8   0.687  -1.942  -1.942
   62    HE2  HIS   8           HE2      HIS   8   3.181  -2.216  -2.216
   63    H    CYS   9           H        CYS   9   3.573   4.286   4.286
   64    HA   CYS   9           HA       CYS   9   2.852   4.379   4.379
   65   1HB   CYS   9          1HB       CYS   9   2.579   6.223   6.223
   66   2HB   CYS   9          2HB       CYS   9   3.363   7.043   7.043
   67    H    THR  10           H        THR  10   4.139   4.690   4.690
   68    HA   THR  10           HA       THR  10   7.090   5.216   5.216
   69    HB   THR  10           HB       THR  10   7.193   3.745   3.745
   70    HG1  THR  10           HG1      THR  10   5.848   1.972   1.972
   71   1HG2  THR  10          3HG2      THR  10   7.234   2.461   2.461
   72   2HG2  THR  10          1HG2      THR  10   7.862   1.709   1.709
   73   3HG2  THR  10          2HG2      THR  10   8.648   3.146   3.146
   74    H    LYS  11           H        LYS  11   5.543   4.719   4.719
   75    HA   LYS  11           HA       LYS  11   5.510   7.562   7.562
   76   1HB   LYS  11          1HB       LYS  11   7.747   7.898   7.898
   77   2HB   LYS  11          2HB       LYS  11   8.133   6.234   6.234
   78   1HG   LYS  11          1HG       LYS  11   8.332   5.608   5.608
   79   2HG   LYS  11          2HG       LYS  11   6.833   6.417   6.417
   80   1HD   LYS  11          1HD       LYS  11   8.933   8.405   8.405
   81   2HD   LYS  11          2HD       LYS  11   9.575   7.169   7.169
   82   1HE   LYS  11          1HE       LYS  11   6.812   8.492   8.492
   83   2HE   LYS  11          2HE       LYS  11   8.299   9.173   9.173
   84   1HZ   LYS  11          1HZ       LYS  11   7.594   6.317   6.317
   85   2HZ   LYS  11          2HZ       LYS  11   7.051   7.527   7.527
   86   3HZ   LYS  11          3HZ       LYS  11   8.700   7.248   7.248
   87    H    SER  12           H        SER  12   6.011   4.212   4.212
   88    HA   SER  12           HA       SER  12   3.845   4.701   4.701
   89   1HB   SER  12          1HB       SER  12   4.856   2.889   2.889
   90   2HB   SER  12          2HB       SER  12   6.005   4.195   4.195
   91    HG   SER  12           HG       SER  12   7.164   2.945   2.945
   92    H    GLY  13           H        GLY  13   3.506   4.098   4.098
   93   1HA   GLY  13          2HA       GLY  13   2.106   1.351   1.351
   94   2HA   GLY  13          1HA       GLY  13   3.189   1.660   1.660
   95    H    CYS  14           H        CYS  14   2.619   2.801   2.801
   96    HA   CYS  14           HA       CYS  14   1.176   3.907   3.907
   97   1HB   CYS  14          1HB       CYS  14   0.792   5.209   5.209
   98   2HB   CYS  14          2HB       CYS  14  -0.546   5.520   5.520
   99    H    SER  15           H        SER  15   0.139   2.502   2.502
  100    HA   SER  15           HA       SER  15  -2.730   2.088   2.088
  101   1HB   SER  15          1HB       SER  15  -2.859  -0.144  -0.144
  102   2HB   SER  15          2HB       SER  15  -1.571   0.527   0.527
  103    HG   SER  15           HG       SER  15  -0.197  -0.798  -0.798
  104    H    VAL  16           H        VAL  16  -3.784   1.583   1.583
  105    HA   VAL  16           HA       VAL  16  -2.037   1.206   1.206
  106    HB   VAL  16           HB       VAL  16  -4.927   2.195   2.195
  107   1HG1  VAL  16          2HG2      VAL  16  -3.624   1.664   1.664
  108   2HG1  VAL  16          3HG2      VAL  16  -5.070   2.653   2.653
  109   3HG1  VAL  16          1HG2      VAL  16  -5.107   0.919   0.919
  110   1HG2  VAL  16          1HG1      VAL  16  -3.230   4.033   4.033
  111   2HG2  VAL  16          2HG1      VAL  16  -4.216   4.318   4.318
  112   3HG2  VAL  16          3HG1      VAL  16  -2.578   3.713   3.713
  113    H    ASN  17           H        ASN  17  -1.693  -0.651  -0.651
  114    HA   ASN  17           HA       ASN  17  -3.677  -2.878  -2.878
  115   1HB   ASN  17          1HB       ASN  17  -0.886  -2.741  -2.741
  116   2HB   ASN  17          2HB       ASN  17  -1.506  -3.262  -3.262
  117   1HD2  ASN  17          1HD2      ASN  17  -0.913  -6.420  -6.420
  118   2HD2  ASN  17          2HD2      ASN  17  -0.046  -5.089  -5.089
  119    H    TRP  18           H        TRP  18  -5.496  -2.107  -2.107
  120    HA   TRP  18           HA       TRP  18  -5.836  -0.762  -0.762
  121   1HB   TRP  18          2HB       TRP  18  -7.611  -2.619  -2.619
  122   2HB   TRP  18          1HB       TRP  18  -8.215  -2.140  -2.140
  123    HD1  TRP  18           HD1      TRP  18  -8.454  -1.108  -1.108
  124    HE1  TRP  18           HE1      TRP  18  -8.957   1.471   1.471
  125    HE3  TRP  18           HE3      TRP  18  -7.292   0.458   0.458
  126    HZ2  TRP  18           HZ2      TRP  18  -8.813   3.766   3.766
  127    HZ3  TRP  18           HZ3      TRP  18  -7.461   2.872   2.872
  128    HH2  TRP  18           HH2      TRP  18  -8.084   4.515   4.515
  129    H    GLY  19           H        GLY  19  -5.141  -4.127  -4.127
  130   1HA   GLY  19          1HA       GLY  19  -6.191  -4.876  -4.876
  131   2HA   GLY  19          2HA       GLY  19  -5.449  -5.980  -5.980
  132    H    GLU  20           H        GLU  20  -3.097  -4.655  -4.655
  133    HA   GLU  20           HA       GLU  20  -1.494  -5.283  -5.283
  134   1HB   GLU  20          1HB       GLU  20  -1.012  -4.123  -4.123
  135   2HB   GLU  20          2HB       GLU  20   0.233  -3.818  -3.818
  136   1HG   GLU  20          1HG       GLU  20   0.646  -5.863  -5.863
  137   2HG   GLU  20          2HG       GLU  20   0.798  -6.193  -6.193
  138    HE2  GLU  20           HE2      GLU  20  -1.169  -8.683  -8.683
  139    H    ALA  21           H        ALA  21  -3.342  -2.587  -2.587
  140    HA   ALA  21           HA       ALA  21  -1.603  -0.672  -0.672
  141   1HB   ALA  21          2HB       ALA  21  -3.062   0.133   0.133
  142   2HB   ALA  21          3HB       ALA  21  -4.520  -0.442  -0.442
  143   3HB   ALA  21          1HB       ALA  21  -3.566   0.902   0.902
  144    H    PHE  22           H        PHE  22  -4.485  -2.633  -2.633
  145    HA   PHE  22           HA       PHE  22  -4.911  -1.751  -1.751
  146   1HB   PHE  22          1HB       PHE  22  -6.609  -3.027  -3.027
  147   2HB   PHE  22          2HB       PHE  22  -5.673  -4.470  -4.470
  148    HD1  PHE  22           HD2      PHE  22  -6.794  -1.796  -1.796
  149    HD2  PHE  22           HD1      PHE  22  -6.989  -5.915  -5.915
  150    HE1  PHE  22           HE2      PHE  22  -8.206  -2.312  -2.312
  151    HE2  PHE  22           HE1      PHE  22  -8.403  -6.420  -6.420
  152    HZ   PHE  22           HZ       PHE  22  -9.016  -4.623  -4.623
  153    H    SER  23           H        SER  23  -3.088  -4.276  -4.276
  154    HA   SER  23           HA       SER  23  -2.219  -5.560  -5.560
  155   1HB   SER  23          1HB       SER  23  -2.119  -6.442  -6.442
  156   2HB   SER  23          2HB       SER  23  -0.537  -5.681  -5.681
  157    HG   SER  23           HG       SER  23   0.213  -7.246  -7.246
  158    H    ALA  24           H        ALA  24  -0.951  -2.992  -2.992
  159    HA   ALA  24           HA       ALA  24   1.549  -2.626  -2.626
  160   1HB   ALA  24          2HB       ALA  24   1.035  -1.539  -1.539
  161   2HB   ALA  24          3HB       ALA  24  -0.229  -0.539  -0.539
  162   3HB   ALA  24          1HB       ALA  24   1.480  -0.301  -0.301
  163    H    GLY  25           H        GLY  25  -1.697  -1.344  -1.344
  164   1HA   GLY  25          2HA       GLY  25  -0.909   0.303   0.303
  165   2HA   GLY  25          1HA       GLY  25  -2.575  -0.122  -0.122
  166    H    VAL  26           H        VAL  26  -1.952  -3.012  -3.012
  167    HA   VAL  26           HA       VAL  26  -2.382  -3.619  -3.619
  168    HB   VAL  26           HB       VAL  26  -1.511  -5.429  -5.429
  169   1HG1  VAL  26          1HG1      VAL  26  -2.754  -6.390  -6.390
  170   2HG1  VAL  26          2HG1      VAL  26  -2.464  -7.407  -7.407
  171   3HG1  VAL  26          3HG1      VAL  26  -1.101  -6.718  -6.718
  172   1HG2  VAL  26          2HG2      VAL  26  -3.778  -4.381  -4.381
  173   2HG2  VAL  26          3HG2      VAL  26  -3.888  -6.135  -6.135
  174   3HG2  VAL  26          1HG2      VAL  26  -4.390  -5.069  -5.069
  175    H    HIS  27           H        HIS  27   0.255  -4.332  -4.332
  176    HA   HIS  27           HA       HIS  27   2.243  -5.145  -5.145
  177   1HB   HIS  27          1HB       HIS  27   2.338  -3.273  -3.273
  178   2HB   HIS  27          2HB       HIS  27   3.838  -3.739  -3.739
  179    HD1  HIS  27           HD1      HIS  27   2.366  -6.910  -6.910
  180    HD2  HIS  27           HD2      HIS  27   3.267  -4.501  -4.501
  181    HE1  HIS  27           HE1      HIS  27   2.595  -8.411  -8.411
  182    HE2  HIS  27           HE2      HIS  27   3.147  -7.066  -7.066
  183    H    ARG  28           H        ARG  28   1.334  -1.797  -1.797
  184    HA   ARG  28           HA       ARG  28   3.286  -0.786  -0.786
  185   1HB   ARG  28          1HB       ARG  28   2.434   0.466   0.466
  186   2HB   ARG  28          2HB       ARG  28   0.893   0.680   0.680
  187   1HG   ARG  28          2HG       ARG  28   1.873   2.177   2.177
  188   2HG   ARG  28          1HG       ARG  28   3.522   1.686   1.686
  189   1HD   ARG  28          1HD       ARG  28   1.887   2.939   2.939
  190   2HD   ARG  28          2HD       ARG  28   2.508   3.991   3.991
  191    HE   ARG  28           HE       ARG  28   4.553   2.088   2.088
  192   1HH1  ARG  28          2HH1      ARG  28   3.124   5.187   5.187
  193   2HH1  ARG  28          1HH1      ARG  28   4.606   5.768   5.768
  194   1HH2  ARG  28          1HH2      ARG  28   6.118   2.784   2.784
  195   2HH2  ARG  28          2HH2      ARG  28   6.236   4.466   4.466
  196    H    LEU  29           H        LEU  29  -0.103  -1.576  -1.576
  197    HA   LEU  29           HA       LEU  29  -0.896  -0.306  -0.306
  198   1HB   LEU  29          2HB       LEU  29  -2.742  -1.020  -1.020
  199   2HB   LEU  29          1HB       LEU  29  -1.960  -2.491  -2.491
  200    HG   LEU  29           HG       LEU  29  -2.671  -3.767  -3.767
  201   1HD1  LEU  29          3HD2      LEU  29  -1.890  -2.128  -2.128
  202   2HD1  LEU  29          1HD2      LEU  29  -3.412  -1.250  -1.250
  203   3HD1  LEU  29          2HD2      LEU  29  -3.429  -2.947  -2.947
  204   1HD2  LEU  29          2HD1      LEU  29  -4.571  -2.975  -2.975
  205   2HD2  LEU  29          3HD1      LEU  29  -5.123  -3.367  -3.367
  206   3HD2  LEU  29          1HD1      LEU  29  -4.916  -1.670  -1.670
  207    H    ALA  30           H        ALA  30   0.311  -3.566  -3.566
  208    HA   ALA  30           HA       ALA  30   0.363  -4.008  -4.008
  209   1HB   ALA  30          2HB       ALA  30  -0.792  -5.748  -5.748
  210   2HB   ALA  30          3HB       ALA  30   0.693  -5.992  -5.992
  211   3HB   ALA  30          1HB       ALA  30   0.642  -6.453  -6.453
  212    H    ASN  31           H        ASN  31   2.196  -2.246  -2.246
  213    HA   ASN  31           HA       ASN  31   4.825  -3.707  -3.707
  214   1HB   ASN  31          1HB       ASN  31   4.452  -1.809  -1.809
  215   2HB   ASN  31          2HB       ASN  31   4.195  -0.682  -0.682
  216   1HD2  ASN  31          1HD2      ASN  31   8.006  -1.724  -1.724
  217   2HD2  ASN  31          2HD2      ASN  31   6.589  -2.705  -2.705
  218    H    GLY  32           H        GLY  32   2.791  -1.534  -1.534
  219   1HA   GLY  32          2HA       GLY  32   2.805  -2.009  -2.009
  220   2HA   GLY  32          1HA       GLY  32   4.569  -2.199  -2.199
  221    H    GLY  33           H        GLY  33   5.090  -0.030  -0.030
  222   1HA   GLY  33          2HA       GLY  33   5.554   2.333   2.333
  223   2HA   GLY  33          1HA       GLY  33   4.111   2.476   2.476
  224    H    ASN  34           H        ASN  34   6.498   0.174   0.174
  225    HA   ASN  34           HA       ASN  34   6.797   1.061   1.061
  226   1HB   ASN  34          1HB       ASN  34   7.616  -1.163  -1.163
  227   2HB   ASN  34          2HB       ASN  34   8.842  -0.412  -0.412
  228   1HD2  ASN  34          1HD2      ASN  34  11.114  -0.227  -0.227
  229   2HD2  ASN  34          2HD2      ASN  34  10.762   0.347   0.347
  230    H    GLY  35           H        GLY  35   8.396   2.258   2.258
  231   1HA   GLY  35          1HA       GLY  35   8.824   4.881   4.881
  232   2HA   GLY  35          2HA       GLY  35  10.285   3.992   3.992
  233    H    PHE  36           H        PHE  36  10.199   6.207   6.207
  234    HA   PHE  36           HA       PHE  36  10.627   5.118   5.118
  235   1HB   PHE  36          2HB       PHE  36   9.291   7.313   7.313
  236   2HB   PHE  36          1HB       PHE  36  10.778   8.041   8.041
  237    HD1  PHE  36           HD2      PHE  36  12.125   6.215   6.215
  238    HD2  PHE  36           HD1      PHE  36   9.237   9.354   9.354
  239    HE1  PHE  36           HE2      PHE  36  12.568   7.014   7.014
  240    HE2  PHE  36           HE1      PHE  36   9.699  10.158  10.158
  241    HZ   PHE  36           HZ       PHE  36  11.365   8.993   8.993
  242    H    TRP  37           H        TRP  37  12.434   3.922   3.922
  243    HA   TRP  37           HA       TRP  37  14.770   3.563   3.563
  244   1HB   TRP  37          1HB       TRP  37  14.441   5.422   5.422
  245   2HB   TRP  37          2HB       TRP  37  15.460   6.359   6.359
  246    HD1  TRP  37           HD1      TRP  37  15.558   3.180   3.180
  247    HE1  TRP  37           HE1      TRP  37  18.052   2.332   2.332
  248    HE3  TRP  37           HE3      TRP  37  17.736   6.420   6.420
  249    HZ2  TRP  37           HZ2      TRP  37  20.546   3.138   3.138
  250    HZ3  TRP  37           HZ3      TRP  37  20.184   6.315   6.315
  251    HH2  TRP  37           HH2      TRP  37  21.568   4.681   4.681
  252    HXT  TRP  37           HXT      TRP  37  15.088   5.137   5.137

  Start of MODEL   13
    1   1H    LYS   1          2H        LYS   1   8.267   1.530   1.530
    2   2H    LYS   1          3H        LYS   1   7.622   2.889   2.889
    3   3H    LYS   1          1H        LYS   1   9.288   2.660   2.660
    4    HA   LYS   1           HA       LYS   1   9.460   3.055   3.055
    5   1HB   LYS   1          1HB       LYS   1   8.920   5.046   5.046
    6   2HB   LYS   1          2HB       LYS   1   7.299   5.035   5.035
    7   1HG   LYS   1          2HG       LYS   1   9.497   6.485   6.485
    8   2HG   LYS   1          1HG       LYS   1   7.997   6.192   6.192
    9   1HD   LYS   1          1HD       LYS   1   9.178   3.901   3.901
   10   2HD   LYS   1          2HD       LYS   1  10.656   4.820   4.820
   11   1HE   LYS   1          1HE       LYS   1   8.362   5.910   5.910
   12   2HE   LYS   1          2HE       LYS   1   9.803   5.114   5.114
   13   1HZ   LYS   1          2HZ       LYS   1  10.702   7.000   7.000
   14   2HZ   LYS   1          3HZ       LYS   1   9.534   7.765   7.765
   15   3HZ   LYS   1          1HZ       LYS   1  10.854   7.029   7.029
   16    H    TYR   2           H        TYR   2   8.883   2.420   2.420
   17    HA   TYR   2           HA       TYR   2   5.961   1.614   1.614
   18   1HB   TYR   2          1HB       TYR   2   7.917  -0.040  -0.040
   19   2HB   TYR   2          2HB       TYR   2   8.428   1.008   1.008
   20    HD1  TYR   2           HD1      TYR   2   6.774   1.465   1.465
   21    HD2  TYR   2           HD2      TYR   2   6.227  -1.698  -1.698
   22    HE1  TYR   2           HE1      TYR   2   5.327   0.258   0.258
   23    HE2  TYR   2           HE2      TYR   2   4.794  -2.893  -2.893
   24    HH   TYR   2           HH       TYR   2   3.629  -1.407  -1.407
   25    H    TYR   3           H        TYR   3   4.780   3.186   3.186
   26    HA   TYR   3           HA       TYR   3   5.865   5.309   5.309
   27   1HB   TYR   3          1HB       TYR   3   2.959   4.739   4.739
   28   2HB   TYR   3          2HB       TYR   3   3.417   6.139   6.139
   29    HD1  TYR   3           HD2      TYR   3   5.462   7.585   7.585
   30    HD2  TYR   3           HD1      TYR   3   2.768   5.062   5.062
   31    HE1  TYR   3           HE2      TYR   3   5.906   8.887   8.887
   32    HE2  TYR   3           HE1      TYR   3   3.211   6.387   6.387
   33    HH   TYR   3           HH       TYR   3   4.802   9.375   9.375
   34    H    GLY   4           H        GLY   4   4.215   6.005   6.005
   35   1HA   GLY   4          2HA       GLY   4   4.550   3.797   3.797
   36   2HA   GLY   4          1HA       GLY   4   4.070   5.473   5.473
   37    H    ASN   5           H        ASN   5   2.983   3.245   3.245
   38    HA   ASN   5           HA       ASN   5   0.808   2.496   2.496
   39   1HB   ASN   5          1HB       ASN   5   0.432   5.123   5.123
   40   2HB   ASN   5          2HB       ASN   5  -0.387   4.687   4.687
   41   1HD2  ASN   5          1HD2      ASN   5  -2.692   2.894   2.894
   42   2HD2  ASN   5          2HD2      ASN   5  -1.283   2.136   2.136
   43    H    GLY   6           H        GLY   6   2.062   1.148   1.148
   44   1HA   GLY   6          2HA       GLY   6   1.518  -0.625  -0.625
   45   2HA   GLY   6          1HA       GLY   6  -0.114  -0.577  -0.577
   46    H    VAL   7           H        VAL   7   1.770   1.779   1.779
   47    HA   VAL   7           HA       VAL   7  -0.386   1.482   1.482
   48    HB   VAL   7           HB       VAL   7   1.166   3.928   3.928
   49   1HG1  VAL   7          2HG2      VAL   7   1.352   3.898   3.898
   50   2HG1  VAL   7          3HG2      VAL   7  -0.410   4.004   4.004
   51   3HG1  VAL   7          1HG2      VAL   7   0.524   5.328   5.328
   52   1HG2  VAL   7          3HG1      VAL   7  -1.254   3.472   3.472
   53   2HG2  VAL   7          1HG1      VAL   7  -0.957   5.096   5.096
   54   3HG2  VAL   7          2HG1      VAL   7  -1.841   3.867   3.867
   55    H    HIS   8           H        HIS   8   0.169   1.484   1.484
   56    HA   HIS   8           HA       HIS   8   3.137   1.093   1.093
   57   1HB   HIS   8          1HB       HIS   8   0.946  -0.927  -0.927
   58   2HB   HIS   8          2HB       HIS   8   2.688  -1.203  -1.203
   59    HD1  HIS   8           HD1      HIS   8  -0.230  -0.662  -0.662
   60    HD2  HIS   8           HD2      HIS   8   3.623  -2.442  -2.442
   61    HE1  HIS   8           HE1      HIS   8   0.396  -2.081  -2.081
   62    HE2  HIS   8           HE2      HIS   8   2.731  -3.232  -3.232
   63    H    CYS   9           H        CYS   9   3.229   2.891   2.891
   64    HA   CYS   9           HA       CYS   9   1.569   3.064   3.064
   65   1HB   CYS   9          1HB       CYS   9   3.432   4.922   4.922
   66   2HB   CYS   9          2HB       CYS   9   3.246   5.229   5.229
   67    H    THR  10           H        THR  10   2.469   3.410   3.410
   68    HA   THR  10           HA       THR  10   3.832   2.616   2.616
   69    HB   THR  10           HB       THR  10   6.208   1.799   1.799
   70    HG1  THR  10           HG1      THR  10   6.720   3.934   3.934
   71   1HG2  THR  10          3HG2      THR  10   5.958   3.910   3.910
   72   2HG2  THR  10          1HG2      THR  10   7.483   3.354   3.354
   73   3HG2  THR  10          2HG2      THR  10   6.510   2.232   2.232
   74    H    LYS  11           H        LYS  11   4.616   0.754   0.754
   75    HA   LYS  11           HA       LYS  11   4.296  -1.569  -1.569
   76   1HB   LYS  11          1HB       LYS  11   5.715  -1.431  -1.431
   77   2HB   LYS  11          2HB       LYS  11   4.325  -2.395  -2.395
   78   1HG   LYS  11          1HG       LYS  11   5.089  -3.587  -3.587
   79   2HG   LYS  11          2HG       LYS  11   6.636  -3.107  -3.107
   80   1HD   LYS  11          1HD       LYS  11   4.542  -5.094  -5.094
   81   2HD   LYS  11          2HD       LYS  11   6.279  -5.342  -5.342
   82   1HE   LYS  11          1HE       LYS  11   6.606  -3.469  -3.469
   83   2HE   LYS  11          2HE       LYS  11   4.925  -3.819  -3.819
   84   1HZ   LYS  11          1HZ       LYS  11   6.767  -6.080  -6.080
   85   2HZ   LYS  11          2HZ       LYS  11   6.850  -5.195  -5.195
   86   3HZ   LYS  11          3HZ       LYS  11   5.416  -5.958  -5.958
   87    H    SER  12           H        SER  12   2.371  -1.360  -1.360
   88    HA   SER  12           HA       SER  12   0.086  -1.970  -1.970
   89   1HB   SER  12          1HB       SER  12  -1.053  -3.356  -3.356
   90   2HB   SER  12          2HB       SER  12   0.612  -3.819  -3.819
   91    HG   SER  12           HG       SER  12  -1.136  -3.225  -3.225
   92    H    GLY  13           H        GLY  13   1.399   0.439   0.439
   93   1HA   GLY  13          1HA       GLY  13   0.348   2.680   2.680
   94   2HA   GLY  13          2HA       GLY  13  -1.253   1.931   1.931
   95    H    CYS  14           H        CYS  14  -1.140   3.926   3.926
   96    HA   CYS  14           HA       CYS  14  -0.309   3.227   3.227
   97   1HB   CYS  14          1HB       CYS  14  -1.896   5.532   5.532
   98   2HB   CYS  14          2HB       CYS  14  -1.771   5.419   5.419
   99    H    SER  15           H        SER  15  -1.350   2.479   2.479
  100    HA   SER  15           HA       SER  15  -4.223   2.301   2.301
  101   1HB   SER  15          2HB       SER  15  -3.077   0.170   0.170
  102   2HB   SER  15          1HB       SER  15  -4.011  -0.474  -0.474
  103    HG   SER  15           HG       SER  15  -5.016   0.357   0.357
  104    H    VAL  16           H        VAL  16  -4.865   1.609   1.609
  105    HA   VAL  16           HA       VAL  16  -2.580   0.875   0.875
  106    HB   VAL  16           HB       VAL  16  -5.448   1.922   1.922
  107   1HG1  VAL  16          2HG2      VAL  16  -3.195   1.440   1.440
  108   2HG1  VAL  16          3HG2      VAL  16  -4.646   2.393   2.393
  109   3HG1  VAL  16          1HG2      VAL  16  -4.792   0.656   0.656
  110   1HG2  VAL  16          1HG1      VAL  16  -4.029   3.796   3.796
  111   2HG2  VAL  16          2HG1      VAL  16  -4.402   4.067   4.067
  112   3HG2  VAL  16          3HG1      VAL  16  -2.806   3.502   3.502
  113    H    ASN  17           H        ASN  17  -2.429  -0.837  -0.837
  114    HA   ASN  17           HA       ASN  17  -4.000  -3.185  -3.185
  115   1HB   ASN  17          2HB       ASN  17  -1.508  -2.926  -2.926
  116   2HB   ASN  17          1HB       ASN  17  -2.382  -3.143  -3.143
  117   1HD2  ASN  17          1HD2      ASN  17  -1.228  -6.461  -6.461
  118   2HD2  ASN  17          2HD2      ASN  17  -0.364  -4.828  -4.828
  119    H    TRP  18           H        TRP  18  -4.681  -0.770  -0.770
  120    HA   TRP  18           HA       TRP  18  -5.809  -0.880  -0.880
  121   1HB   TRP  18          1HB       TRP  18  -7.718  -1.676  -1.676
  122   2HB   TRP  18          2HB       TRP  18  -8.345  -1.369  -1.369
  123    HD1  TRP  18           HD1      TRP  18  -7.305   0.454   0.454
  124    HE1  TRP  18           HE1      TRP  18  -7.375   3.101   3.101
  125    HE3  TRP  18           HE3      TRP  18  -7.528   0.467   0.467
  126    HZ2  TRP  18           HZ2      TRP  18  -7.545   4.796   4.796
  127    HZ3  TRP  18           HZ3      TRP  18  -7.741   2.628   2.628
  128    HH2  TRP  18           HH2      TRP  18  -7.753   4.762   4.762
  129    H    GLY  19           H        GLY  19  -4.327  -3.165  -3.165
  130   1HA   GLY  19          1HA       GLY  19  -6.083  -4.824  -4.824
  131   2HA   GLY  19          2HA       GLY  19  -5.322  -5.690  -5.690
  132    H    GLU  20           H        GLU  20  -2.960  -4.700  -4.700
  133    HA   GLU  20           HA       GLU  20  -1.397  -5.538  -5.538
  134   1HB   GLU  20          1HB       GLU  20  -0.912  -4.299  -4.299
  135   2HB   GLU  20          2HB       GLU  20   0.330  -3.929  -3.929
  136   1HG   GLU  20          1HG       GLU  20  -0.446  -6.877  -6.877
  137   2HG   GLU  20          2HG       GLU  20   0.400  -6.152  -6.152
  138    HE1  GLU  20           HE2      GLU  20   3.368  -5.776  -5.776
  139    H    ALA  21           H        ALA  21  -2.848  -2.593  -2.593
  140    HA   ALA  21           HA       ALA  21  -1.291  -0.874  -0.874
  141   1HB   ALA  21          2HB       ALA  21  -2.613   0.036   0.036
  142   2HB   ALA  21          3HB       ALA  21  -4.131  -0.536  -0.536
  143   3HB   ALA  21          1HB       ALA  21  -3.192   0.758   0.758
  144    H    PHE  22           H        PHE  22  -4.438  -2.490  -2.490
  145    HA   PHE  22           HA       PHE  22  -5.097  -1.844  -1.844
  146   1HB   PHE  22          1HB       PHE  22  -6.804  -3.108  -3.108
  147   2HB   PHE  22          2HB       PHE  22  -5.682  -4.156  -4.156
  148    HD1  PHE  22           HD1      PHE  22  -6.813  -3.464  -3.464
  149    HD2  PHE  22           HD2      PHE  22  -5.580  -6.413  -6.413
  150    HE1  PHE  22           HE1      PHE  22  -7.395  -5.252  -5.252
  151    HE2  PHE  22           HE2      PHE  22  -6.166  -8.200  -8.200
  152    HZ   PHE  22           HZ       PHE  22  -7.077  -7.624  -7.624
  153    H    SER  23           H        SER  23  -3.119  -4.486  -4.486
  154    HA   SER  23           HA       SER  23  -2.365  -5.426  -5.426
  155   1HB   SER  23          1HB       SER  23  -2.217  -7.085  -7.085
  156   2HB   SER  23          2HB       SER  23  -1.328  -6.044  -6.044
  157    HG   SER  23           HG       SER  23  -0.399  -7.748  -7.748
  158    H    ALA  24           H        ALA  24  -1.101  -3.115  -3.115
  159    HA   ALA  24           HA       ALA  24   1.457  -2.656  -2.656
  160   1HB   ALA  24          2HB       ALA  24   0.851  -1.723  -1.723
  161   2HB   ALA  24          3HB       ALA  24  -0.380  -0.670  -0.670
  162   3HB   ALA  24          1HB       ALA  24   1.346  -0.407  -0.407
  163    H    GLY  25           H        GLY  25  -1.778  -1.401  -1.401
  164   1HA   GLY  25          2HA       GLY  25  -0.864   0.412   0.412
  165   2HA   GLY  25          1HA       GLY  25  -2.549   0.039   0.039
  166    H    VAL  26           H        VAL  26  -2.520  -2.709  -2.709
  167    HA   VAL  26           HA       VAL  26  -2.809  -3.248  -3.248
  168    HB   VAL  26           HB       VAL  26  -3.344  -4.629  -4.629
  169   1HG1  VAL  26          2HG2      VAL  26  -1.084  -6.237  -6.237
  170   2HG1  VAL  26          3HG2      VAL  26  -2.224  -6.929  -6.929
  171   3HG1  VAL  26          1HG2      VAL  26  -1.107  -5.641  -5.641
  172   1HG2  VAL  26          1HG1      VAL  26  -4.703  -5.045  -5.045
  173   2HG2  VAL  26          2HG1      VAL  26  -4.210  -6.589  -6.589
  174   3HG2  VAL  26          3HG1      VAL  26  -3.382  -6.016  -6.016
  175    H    HIS  27           H        HIS  27  -0.121  -3.944  -3.944
  176    HA   HIS  27           HA       HIS  27   1.648  -5.045  -5.045
  177   1HB   HIS  27          2HB       HIS  27   1.932  -3.431  -3.431
  178   2HB   HIS  27          1HB       HIS  27   3.414  -3.665  -3.665
  179    HD1  HIS  27           HD1      HIS  27   0.554  -6.347  -6.347
  180    HD2  HIS  27           HD2      HIS  27   4.711  -5.360  -5.360
  181    HE1  HIS  27           HE1      HIS  27   1.734  -8.305  -8.305
  182    HE2  HIS  27           HE2      HIS  27   4.283  -7.830  -7.830
  183    H    ARG  28           H        ARG  28   1.284  -1.677  -1.677
  184    HA   ARG  28           HA       ARG  28   3.048  -0.546  -0.546
  185   1HB   ARG  28          1HB       ARG  28   1.684   0.557   0.557
  186   2HB   ARG  28          2HB       ARG  28   0.400   0.782   0.782
  187   1HG   ARG  28          2HG       ARG  28   2.619   1.862   1.862
  188   2HG   ARG  28          1HG       ARG  28   3.048   2.242   2.242
  189   1HD   ARG  28          1HD       ARG  28   0.876   3.406   3.406
  190   2HD   ARG  28          2HD       ARG  28   0.316   2.947   2.947
  191    HE   ARG  28           HE       ARG  28   2.971   4.319   4.319
  192   1HH1  ARG  28          2HH1      ARG  28  -0.450   4.804   4.804
  193   2HH1  ARG  28          1HH1      ARG  28  -0.213   6.428   6.428
  194   1HH2  ARG  28          1HH2      ARG  28   3.147   6.088   6.088
  195   2HH2  ARG  28          2HH2      ARG  28   1.740   7.131   7.131
  196    H    LEU  29           H        LEU  29  -0.312  -1.548  -1.548
  197    HA   LEU  29           HA       LEU  29  -0.800  -0.602  -0.602
  198   1HB   LEU  29          1HB       LEU  29  -2.865  -1.325  -1.325
  199   2HB   LEU  29          2HB       LEU  29  -2.190  -2.176  -2.176
  200    HG   LEU  29           HG       LEU  29  -1.881  -4.240  -4.240
  201   1HD1  LEU  29          3HD2      LEU  29  -1.586  -3.076  -3.076
  202   2HD1  LEU  29          1HD2      LEU  29  -3.327  -2.781  -2.781
  203   3HD1  LEU  29          2HD2      LEU  29  -2.710  -4.456  -4.456
  204   1HD2  LEU  29          2HD1      LEU  29  -4.047  -3.765  -3.765
  205   2HD2  LEU  29          3HD1      LEU  29  -4.302  -4.807  -4.807
  206   3HD2  LEU  29          1HD1      LEU  29  -4.736  -3.082  -3.082
  207    H    ALA  30           H        ALA  30   0.601  -3.553  -3.553
  208    HA   ALA  30           HA       ALA  30   1.502  -4.120  -4.120
  209   1HB   ALA  30          2HB       ALA  30  -0.018  -5.901  -5.901
  210   2HB   ALA  30          3HB       ALA  30   1.060  -6.098  -6.098
  211   3HB   ALA  30          1HB       ALA  30   1.615  -6.556  -6.556
  212    H    ASN  31           H        ASN  31   2.867  -2.310  -2.310
  213    HA   ASN  31           HA       ASN  31   5.492  -3.699  -3.699
  214   1HB   ASN  31          1HB       ASN  31   4.662  -2.380  -2.380
  215   2HB   ASN  31          2HB       ASN  31   4.475  -0.940  -0.940
  216   1HD2  ASN  31          1HD2      ASN  31   7.749   0.026   0.026
  217   2HD2  ASN  31          2HD2      ASN  31   6.046   0.501   0.501
  218    H    GLY  32           H        GLY  32   5.345  -3.816  -3.816
  219   1HA   GLY  32          2HA       GLY  32   5.499  -1.500  -1.500
  220   2HA   GLY  32          1HA       GLY  32   6.265  -3.058  -3.058
  221    H    GLY  33           H        GLY  33   7.938  -3.009  -3.009
  222   1HA   GLY  33          2HA       GLY  33  10.006  -1.797  -1.797
  223   2HA   GLY  33          1HA       GLY  33   9.818  -0.698  -0.698
  224    H    ASN  34           H        ASN  34   9.282  -3.926  -3.926
  225    HA   ASN  34           HA       ASN  34  11.695  -3.775  -3.775
  226   1HB   ASN  34          2HB       ASN  34  10.521  -6.399  -6.399
  227   2HB   ASN  34          1HB       ASN  34  10.256  -5.024  -5.024
  228   1HD2  ASN  34          1HD2      ASN  34   7.232  -6.073  -6.073
  229   2HD2  ASN  34          2HD2      ASN  34   8.930  -6.717  -6.717
  230    H    GLY  35           H        GLY  35  11.525  -4.572  -4.572
  231   1HA   GLY  35          1HA       GLY  35  14.203  -5.873  -5.873
  232   2HA   GLY  35          2HA       GLY  35  12.956  -7.075  -7.075
  233    H    PHE  36           H        PHE  36  14.148  -7.345  -7.345
  234    HA   PHE  36           HA       PHE  36  13.910  -5.066  -5.066
  235   1HB   PHE  36          2HB       PHE  36  15.866  -7.209  -7.209
  236   2HB   PHE  36          1HB       PHE  36  15.195  -7.511  -7.511
  237    HD1  PHE  36           HD1      PHE  36  15.423  -3.961  -3.961
  238    HD2  PHE  36           HD2      PHE  36  17.464  -7.175  -7.175
  239    HE1  PHE  36           HE1      PHE  36  17.013  -2.352  -2.352
  240    HE2  PHE  36           HE2      PHE  36  19.055  -5.557  -5.557
  241    HZ   PHE  36           HZ       PHE  36  18.827  -3.143  -3.143
  242    H    TRP  37           H        TRP  37  11.615  -6.530  -6.530
  243    HA   TRP  37           HA       TRP  37  10.834  -7.835  -7.835
  244   1HB   TRP  37          1HB       TRP  37  11.303  -9.731  -9.731
  245   2HB   TRP  37          2HB       TRP  37  10.448  -8.959  -8.959
  246    HD1  TRP  37           HD1      TRP  37   8.768  -9.089  -9.089
  247    HE1  TRP  37           HE1      TRP  37   6.628 -10.665 -10.665
  248    HE3  TRP  37           HE3      TRP  37   9.479 -10.898 -10.898
  249    HZ2  TRP  37           HZ2      TRP  37   5.542 -12.403 -12.403
  250    HZ3  TRP  37           HZ3      TRP  37   7.913 -12.599 -12.599
  251    HH2  TRP  37           HH2      TRP  37   5.985 -13.360 -13.360
  252    HXT  TRP  37           HXT      TRP  37   8.143  -5.863  -5.863

  Start of MODEL   14
    1   1H    LYS   1          3H        LYS   1   5.414   5.017   5.017
    2   2H    LYS   1          1H        LYS   1   4.949   6.611   6.611
    3   3H    LYS   1          2H        LYS   1   6.510   6.115   6.115
    4    HA   LYS   1           HA       LYS   1   7.074   5.767   5.767
    5   1HB   LYS   1          1HB       LYS   1   7.086   8.096   8.096
    6   2HB   LYS   1          2HB       LYS   1   7.195   8.125   8.125
    7   1HG   LYS   1          1HG       LYS   1   4.402   8.239   8.239
    8   2HG   LYS   1          2HG       LYS   1   4.952   9.051   9.051
    9   1HD   LYS   1          1HD       LYS   1   6.172   9.884   9.884
   10   2HD   LYS   1          2HD       LYS   1   4.471  10.300  10.300
   11   1HE   LYS   1          1HE       LYS   1   5.101  12.036  12.036
   12   2HE   LYS   1          2HE       LYS   1   5.882  10.894  10.894
   13   1HZ   LYS   1          2HZ       LYS   1   7.736  10.922  10.922
   14   2HZ   LYS   1          3HZ       LYS   1   7.066  12.418  12.418
   15   3HZ   LYS   1          1HZ       LYS   1   7.653  12.125  12.125
   16    H    TYR   2           H        TYR   2   6.623   5.359   5.359
   17    HA   TYR   2           HA       TYR   2   3.861   4.372   4.372
   18   1HB   TYR   2          1HB       TYR   2   6.378   3.737   3.737
   19   2HB   TYR   2          2HB       TYR   2   5.827   4.790   4.790
   20    HD1  TYR   2           HD1      TYR   2   4.892   1.623   1.623
   21    HD2  TYR   2           HD2      TYR   2   4.328   4.073   4.073
   22    HE1  TYR   2           HE1      TYR   2   3.687  -0.221  -0.221
   23    HE2  TYR   2           HE2      TYR   2   3.125   2.233   2.233
   24    HH   TYR   2           HH       TYR   2   3.122  -0.367  -0.367
   25    H    TYR   3           H        TYR   3   2.587   4.859   4.859
   26    HA   TYR   3           HA       TYR   3   2.763   7.833   7.833
   27   1HB   TYR   3          2HB       TYR   3   0.326   6.349   6.349
   28   2HB   TYR   3          1HB       TYR   3   0.110   7.793   7.793
   29    HD1  TYR   3           HD2      TYR   3   3.174   7.776   7.776
   30    HD2  TYR   3           HD1      TYR   3  -1.033   8.650   8.650
   31    HE1  TYR   3           HE2      TYR   3   3.493   9.019   9.019
   32    HE2  TYR   3           HE1      TYR   3  -0.700   9.896   9.896
   33    HH   TYR   3           HH       TYR   3   0.974  10.940  10.940
   34    H    GLY   4           H        GLY   4   3.638   6.358   6.358
   35   1HA   GLY   4          2HA       GLY   4   3.320   6.139   6.139
   36   2HA   GLY   4          1HA       GLY   4   1.704   6.850   6.850
   37    H    ASN   5           H        ASN   5   0.050   5.696   5.696
   38    HA   ASN   5           HA       ASN   5   0.305   3.160   3.160
   39   1HB   ASN   5          2HB       ASN   5  -1.755   4.862   4.862
   40   2HB   ASN   5          1HB       ASN   5  -2.224   4.007   4.007
   41   1HD2  ASN   5          1HD2      ASN   5  -4.158   1.891   1.891
   42   2HD2  ASN   5          2HD2      ASN   5  -4.039   2.993   2.993
   43    H    GLY   6           H        GLY   6   0.229   3.757   3.757
   44   1HA   GLY   6          1HA       GLY   6   1.038   1.595   1.595
   45   2HA   GLY   6          2HA       GLY   6  -0.300   0.750   0.750
   46    H    VAL   7           H        VAL   7   0.325   3.732   3.732
   47    HA   VAL   7           HA       VAL   7  -2.087   3.000   3.000
   48    HB   VAL   7           HB       VAL   7  -1.416   5.510   5.510
   49   1HG1  VAL   7          1HG1      VAL   7  -2.540   5.931   5.931
   50   2HG1  VAL   7          2HG1      VAL   7  -2.482   7.156   7.156
   51   3HG1  VAL   7          3HG1      VAL   7  -0.985   6.540   6.540
   52   1HG2  VAL   7          2HG2      VAL   7  -3.558   4.219   4.219
   53   2HG2  VAL   7          3HG2      VAL   7  -3.860   5.908   5.908
   54   3HG2  VAL   7          1HG2      VAL   7  -4.122   4.629   4.629
   55    H    HIS   8           H        HIS   8  -1.132   2.080   2.080
   56    HA   HIS   8           HA       HIS   8   1.370   3.403   3.403
   57   1HB   HIS   8          1HB       HIS   8   0.099   0.759   0.759
   58   2HB   HIS   8          2HB       HIS   8   1.814   1.150   1.150
   59    HD1  HIS   8           HD1      HIS   8  -1.171   0.220   0.220
   60    HD2  HIS   8           HD2      HIS   8   3.103   0.268   0.268
   61    HE1  HIS   8           HE1      HIS   8  -0.101  -1.025  -1.025
   62    HE2  HIS   8           HE2      HIS   8   2.513  -1.076  -1.076
   63    H    CYS   9           H        CYS   9   0.293   5.185   5.185
   64    HA   CYS   9           HA       CYS   9  -1.087   4.488   4.488
   65   1HB   CYS   9          1HB       CYS   9  -1.110   7.337   7.337
   66   2HB   CYS   9          2HB       CYS   9  -2.383   6.460   6.460
   67    H    THR  10           H        THR  10  -0.428   5.191   5.191
   68    HA   THR  10           HA       THR  10   2.286   6.627   6.627
   69    HB   THR  10           HB       THR  10   2.680   5.221   5.221
   70    HG1  THR  10           HG1      THR  10   1.677   3.206   3.206
   71   1HG2  THR  10          3HG2      THR  10   2.804   3.696   3.696
   72   2HG2  THR  10          1HG2      THR  10   3.645   3.221   3.221
   73   3HG2  THR  10          2HG2      THR  10   4.108   4.707   4.707
   74    H    LYS  11           H        LYS  11  -0.510   7.529   7.529
   75    HA   LYS  11           HA       LYS  11  -1.169   9.543   9.543
   76   1HB   LYS  11          1HB       LYS  11   1.405   9.367   9.367
   77   2HB   LYS  11          2HB       LYS  11   0.520   9.063   9.063
   78   1HG   LYS  11          1HG       LYS  11  -0.861  11.227  11.227
   79   2HG   LYS  11          2HG       LYS  11   0.212  11.525  11.525
   80   1HD   LYS  11          1HD       LYS  11   1.793  12.437  12.437
   81   2HD   LYS  11          2HD       LYS  11   1.732  11.059  11.059
   82   1HE   LYS  11          1HE       LYS  11   0.876  13.380  13.380
   83   2HE   LYS  11          2HE       LYS  11  -0.132  11.962  11.962
   84   1HZ   LYS  11          1HZ       LYS  11  -0.567  13.516  13.516
   85   2HZ   LYS  11          2HZ       LYS  11  -1.205  14.044  14.044
   86   3HZ   LYS  11          3HZ       LYS  11  -1.641  12.540  12.540
   87    H    SER  12           H        SER  12  -0.370   6.998   6.998
   88    HA   SER  12           HA       SER  12  -2.818   7.587   7.587
   89   1HB   SER  12          2HB       SER  12  -2.055   5.732   5.732
   90   2HB   SER  12          1HB       SER  12  -0.713   6.794   6.794
   91    HG   SER  12           HG       SER  12  -0.304   4.481   4.481
   92    H    GLY  13           H        GLY  13  -2.467   5.968   5.968
   93   1HA   GLY  13          1HA       GLY  13  -5.105   4.867   4.867
   94   2HA   GLY  13          2HA       GLY  13  -4.157   3.572   3.572
   95    H    CYS  14           H        CYS  14  -5.242   4.885   4.885
   96    HA   CYS  14           HA       CYS  14  -2.854   3.965   3.965
   97   1HB   CYS  14          1HB       CYS  14  -3.819   6.182   6.182
   98   2HB   CYS  14          2HB       CYS  14  -5.449   5.508   5.508
   99    H    SER  15           H        SER  15  -3.004   2.540   2.540
  100    HA   SER  15           HA       SER  15  -5.382   0.674   0.674
  101   1HB   SER  15          1HB       SER  15  -2.617  -0.064  -0.064
  102   2HB   SER  15          2HB       SER  15  -3.546  -1.315  -1.315
  103    HG   SER  15           HG       SER  15  -3.751  -0.774  -0.774
  104    H    VAL  16           H        VAL  16  -5.503   1.737   1.737
  105    HA   VAL  16           HA       VAL  16  -3.450   1.398   1.398
  106    HB   VAL  16           HB       VAL  16  -6.523   1.720   1.720
  107   1HG1  VAL  16          2HG2      VAL  16  -4.492   1.925   1.925
  108   2HG1  VAL  16          3HG2      VAL  16  -6.149   2.532   2.532
  109   3HG1  VAL  16          1HG2      VAL  16  -5.854   0.787   0.787
  110   1HG2  VAL  16          1HG1      VAL  16  -5.463   3.808   3.808
  111   2HG2  VAL  16          2HG1      VAL  16  -6.097   4.103   4.103
  112   3HG2  VAL  16          3HG1      VAL  16  -4.371   3.899   3.899
  113    H    ASN  17           H        ASN  17  -2.686  -0.221  -0.221
  114    HA   ASN  17           HA       ASN  17  -4.174  -2.844  -2.844
  115   1HB   ASN  17          1HB       ASN  17  -1.475  -2.218  -2.218
  116   2HB   ASN  17          2HB       ASN  17  -1.661  -2.423  -2.423
  117   1HD2  ASN  17          1HD2      ASN  17  -0.701  -5.693  -5.693
  118   2HD2  ASN  17          2HD2      ASN  17   0.018  -3.992  -3.992
  119    H    TRP  18           H        TRP  18  -6.010  -2.257  -2.257
  120    HA   TRP  18           HA       TRP  18  -6.063  -0.985  -0.985
  121   1HB   TRP  18          1HB       TRP  18  -8.018  -2.676  -2.676
  122   2HB   TRP  18          2HB       TRP  18  -8.452  -2.360  -2.360
  123    HD1  TRP  18           HD1      TRP  18  -8.934  -0.870  -0.870
  124    HE1  TRP  18           HE1      TRP  18  -9.557   1.716   1.716
  125    HE3  TRP  18           HE3      TRP  18  -7.604  -0.015  -0.015
  126    HZ2  TRP  18           HZ2      TRP  18  -9.445   3.714   3.714
  127    HZ3  TRP  18           HZ3      TRP  18  -7.824   2.275   2.275
  128    HH2  TRP  18           HH2      TRP  18  -8.565   4.145   4.145
  129    H    GLY  19           H        GLY  19  -5.184  -4.191  -4.191
  130   1HA   GLY  19          1HA       GLY  19  -5.976  -5.283  -5.283
  131   2HA   GLY  19          2HA       GLY  19  -5.153  -6.179  -6.179
  132    H    GLU  20           H        GLU  20  -2.963  -4.768  -4.768
  133    HA   GLU  20           HA       GLU  20  -1.201  -5.236  -5.236
  134   1HB   GLU  20          1HB       GLU  20  -1.053  -4.281  -4.281
  135   2HB   GLU  20          2HB       GLU  20  -0.069  -3.225  -3.225
  136   1HG   GLU  20          1HG       GLU  20   1.583  -4.788  -4.788
  137   2HG   GLU  20          2HG       GLU  20   0.974  -5.600  -5.600
  138    HE2  GLU  20           HE2      GLU  20   1.159  -7.523  -7.523
  139    H    ALA  21           H        ALA  21  -3.348  -2.691  -2.691
  140    HA   ALA  21           HA       ALA  21  -1.708  -0.682  -0.682
  141   1HB   ALA  21          2HB       ALA  21  -3.237   0.052   0.052
  142   2HB   ALA  21          3HB       ALA  21  -4.646  -0.621  -0.621
  143   3HB   ALA  21          1HB       ALA  21  -3.769   0.772   0.772
  144    H    PHE  22           H        PHE  22  -4.613  -2.657  -2.657
  145    HA   PHE  22           HA       PHE  22  -5.039  -1.890  -1.890
  146   1HB   PHE  22          1HB       PHE  22  -6.779  -3.207  -3.207
  147   2HB   PHE  22          2HB       PHE  22  -5.655  -4.442  -4.442
  148    HD1  PHE  22           HD2      PHE  22  -7.367  -3.044  -3.044
  149    HD2  PHE  22           HD1      PHE  22  -5.312  -6.392  -6.392
  150    HE1  PHE  22           HE2      PHE  22  -8.018  -4.451  -4.451
  151    HE2  PHE  22           HE1      PHE  22  -5.960  -7.788  -7.788
  152    HZ   PHE  22           HZ       PHE  22  -7.306  -6.820  -6.820
  153    H    SER  23           H        SER  23  -3.073  -4.400  -4.400
  154    HA   SER  23           HA       SER  23  -2.152  -5.496  -5.496
  155   1HB   SER  23          1HB       SER  23  -1.360  -5.846  -5.846
  156   2HB   SER  23          2HB       SER  23  -0.165  -6.334  -6.334
  157    HG   SER  23           HG       SER  23  -2.889  -7.177  -7.177
  158    H    ALA  24           H        ALA  24  -0.971  -3.043  -3.043
  159    HA   ALA  24           HA       ALA  24   1.573  -2.551  -2.551
  160   1HB   ALA  24          2HB       ALA  24   0.905  -1.545  -1.545
  161   2HB   ALA  24          3HB       ALA  24  -0.341  -0.554  -0.554
  162   3HB   ALA  24          1HB       ALA  24   1.384  -0.261  -0.261
  163    H    GLY  25           H        GLY  25  -1.689  -1.431  -1.431
  164   1HA   GLY  25          2HA       GLY  25  -0.716   0.410   0.410
  165   2HA   GLY  25          1HA       GLY  25  -2.411   0.093   0.093
  166    H    VAL  26           H        VAL  26  -2.308  -2.730  -2.730
  167    HA   VAL  26           HA       VAL  26  -2.647  -3.147  -3.147
  168    HB   VAL  26           HB       VAL  26  -2.999  -4.672  -4.672
  169   1HG1  VAL  26          2HG2      VAL  26  -1.707  -6.318  -6.318
  170   2HG1  VAL  26          3HG2      VAL  26  -2.614  -7.029  -7.029
  171   3HG1  VAL  26          1HG2      VAL  26  -1.104  -6.141  -6.141
  172   1HG2  VAL  26          1HG1      VAL  26  -4.944  -4.316  -4.316
  173   2HG2  VAL  26          2HG1      VAL  26  -4.678  -6.056  -6.056
  174   3HG2  VAL  26          3HG1      VAL  26  -4.166  -5.332  -5.332
  175    H    HIS  27           H        HIS  27  -0.036  -3.712  -3.712
  176    HA   HIS  27           HA       HIS  27   1.732  -5.015  -5.015
  177   1HB   HIS  27          2HB       HIS  27   2.019  -3.305  -3.305
  178   2HB   HIS  27          1HB       HIS  27   3.506  -3.640  -3.640
  179    HD1  HIS  27           HD1      HIS  27   0.568  -6.241  -6.241
  180    HD2  HIS  27           HD2      HIS  27   4.671  -5.260  -5.260
  181    HE1  HIS  27           HE1      HIS  27   1.619  -8.149  -8.149
  182    HE2  HIS  27           HE2      HIS  27   4.137  -7.689  -7.689
  183    H    ARG  28           H        ARG  28   1.561  -1.620  -1.620
  184    HA   ARG  28           HA       ARG  28   3.376  -0.618  -0.618
  185   1HB   ARG  28          1HB       ARG  28   2.543   0.751   0.751
  186   2HB   ARG  28          2HB       ARG  28   0.898   0.678   0.678
  187   1HG   ARG  28          1HG       ARG  28   2.559   1.815   1.815
  188   2HG   ARG  28          2HG       ARG  28   3.036   2.599   2.599
  189   1HD   ARG  28          1HD       ARG  28   0.123   2.355   2.355
  190   2HD   ARG  28          2HD       ARG  28   1.158   3.795   3.795
  191    HE   ARG  28           HE       ARG  28   1.294   3.183   3.183
  192   1HH1  ARG  28          2HH1      ARG  28  -1.308   3.915   3.915
  193   2HH1  ARG  28          1HH1      ARG  28  -2.336   4.645   4.645
  194   1HH2  ARG  28          1HH2      ARG  28   0.127   3.991   3.991
  195   2HH2  ARG  28          2HH2      ARG  28  -1.562   4.689   4.689
  196    H    LEU  29           H        LEU  29  -0.003  -1.489  -1.489
  197    HA   LEU  29           HA       LEU  29  -0.431  -0.331  -0.331
  198   1HB   LEU  29          2HB       LEU  29  -2.517  -0.560  -0.560
  199   2HB   LEU  29          1HB       LEU  29  -2.012  -1.866  -1.866
  200    HG   LEU  29           HG       LEU  29  -2.351  -3.541  -3.541
  201   1HD1  LEU  29          2HD1      LEU  29  -1.719  -2.118  -2.118
  202   2HD1  LEU  29          3HD1      LEU  29  -3.210  -1.162  -1.162
  203   3HD1  LEU  29          1HD1      LEU  29  -3.297  -2.885  -2.885
  204   1HD2  LEU  29          2HD2      LEU  29  -4.783  -1.647  -1.647
  205   2HD2  LEU  29          3HD2      LEU  29  -4.352  -3.029  -3.029
  206   3HD2  LEU  29          1HD2      LEU  29  -4.867  -3.317  -3.317
  207    H    ALA  30           H        ALA  30   0.398  -3.490  -3.490
  208    HA   ALA  30           HA       ALA  30   0.513  -4.480  -4.480
  209   1HB   ALA  30          2HB       ALA  30  -1.051  -5.723  -5.723
  210   2HB   ALA  30          3HB       ALA  30   0.286  -6.048  -6.048
  211   3HB   ALA  30          1HB       ALA  30   0.283  -6.785  -6.785
  212    H    ASN  31           H        ASN  31   2.514  -2.825  -2.825
  213    HA   ASN  31           HA       ASN  31   4.827  -4.826  -4.826
  214   1HB   ASN  31          1HB       ASN  31   4.732  -3.084  -3.084
  215   2HB   ASN  31          2HB       ASN  31   4.774  -1.792  -1.792
  216   1HD2  ASN  31          1HD2      ASN  31   8.285  -1.768  -1.768
  217   2HD2  ASN  31          2HD2      ASN  31   6.700  -0.830  -0.830
  218    H    GLY  32           H        GLY  32   3.646  -1.883  -1.883
  219   1HA   GLY  32          2HA       GLY  32   3.955  -1.201  -1.201
  220   2HA   GLY  32          1HA       GLY  32   4.665  -2.790  -2.790
  221    H    GLY  33           H        GLY  33   5.598  -0.339  -0.339
  222   1HA   GLY  33          1HA       GLY  33   8.439  -0.361  -0.361
  223   2HA   GLY  33          2HA       GLY  33   7.847   0.555   0.555
  224    H    ASN  34           H        ASN  34   5.666   1.149   1.149
  225    HA   ASN  34           HA       ASN  34   7.146   3.717   3.717
  226   1HB   ASN  34          2HB       ASN  34   4.656   3.684   3.684
  227   2HB   ASN  34          1HB       ASN  34   4.239   2.864   2.864
  228   1HD2  ASN  34          1HD2      ASN  34   3.948   5.876   5.876
  229   2HD2  ASN  34          2HD2      ASN  34   3.614   4.062   4.062
  230    H    GLY  35           H        GLY  35   5.885   0.775   0.775
  231   1HA   GLY  35          2HA       GLY  35   6.564   1.802   1.802
  232   2HA   GLY  35          1HA       GLY  35   5.614   0.348   0.348
  233    H    PHE  36           H        PHE  36   6.514  -1.543  -1.543
  234    HA   PHE  36           HA       PHE  36   9.519  -1.560  -1.560
  235   1HB   PHE  36          2HB       PHE  36   7.020  -3.030  -3.030
  236   2HB   PHE  36          1HB       PHE  36   8.374  -4.089  -4.089
  237    HD1  PHE  36           HD1      PHE  36   7.216  -1.043  -1.043
  238    HD2  PHE  36           HD2      PHE  36  10.175  -4.157  -4.157
  239    HE1  PHE  36           HE1      PHE  36   7.931  -0.444  -0.444
  240    HE2  PHE  36           HE2      PHE  36  10.879  -3.560  -3.560
  241    HZ   PHE  36           HZ       PHE  36   9.769  -1.694  -1.694
  242    H    TRP  37           H        TRP  37  10.916  -2.905  -2.905
  243    HA   TRP  37           HA       TRP  37  10.246  -3.704  -3.704
  244   1HB   TRP  37          2HB       TRP  37  12.612  -3.098  -3.098
  245   2HB   TRP  37          1HB       TRP  37  12.638  -4.694  -4.694
  246    HD1  TRP  37           HD1      TRP  37  11.466  -3.753  -3.753
  247    HE1  TRP  37           HE1      TRP  37  12.853  -5.135  -5.135
  248    HE3  TRP  37           HE3      TRP  37  14.618  -5.995  -5.995
  249    HZ2  TRP  37           HZ2      TRP  37  15.044  -6.935  -6.935
  250    HZ3  TRP  37           HZ3      TRP  37  16.399  -7.487  -7.487
  251    HH2  TRP  37           HH2      TRP  37  16.515  -8.069  -8.069
  252    HXT  TRP  37           HXT      TRP  37   9.952  -6.954  -6.954

  Start of MODEL   15
    1   1H    LYS   1          2H        LYS   1   6.962   2.320   2.320
    2   2H    LYS   1          3H        LYS   1   8.266   3.024   3.024
    3   3H    LYS   1          1H        LYS   1   8.532   1.849   1.849
    4    HA   LYS   1           HA       LYS   1   8.989   3.625   3.625
    5   1HB   LYS   1          1HB       LYS   1   7.969   4.984   4.984
    6   2HB   LYS   1          2HB       LYS   1   6.782   5.421   5.421
    7   1HG   LYS   1          2HG       LYS   1   8.666   6.245   6.245
    8   2HG   LYS   1          1HG       LYS   1   9.852   5.811   5.811
    9   1HD   LYS   1          1HD       LYS   1   7.635   7.775   7.775
   10   2HD   LYS   1          2HD       LYS   1   9.111   8.296   8.296
   11   1HE   LYS   1          1HE       LYS   1  10.079   8.425   8.425
   12   2HE   LYS   1          2HE       LYS   1  10.208   6.662   6.662
   13   1HZ   LYS   1          2HZ       LYS   1   7.821   8.102   8.102
   14   2HZ   LYS   1          3HZ       LYS   1   9.044   7.443   7.443
   15   3HZ   LYS   1          1HZ       LYS   1   8.074   6.439   6.439
   16    H    TYR   2           H        TYR   2   8.401   2.610   2.610
   17    HA   TYR   2           HA       TYR   2   5.532   2.166   2.166
   18   1HB   TYR   2          1HB       TYR   2   7.787   0.914   0.914
   19   2HB   TYR   2          2HB       TYR   2   7.857   2.188   2.188
   20    HD1  TYR   2           HD1      TYR   2   4.872   0.190   0.190
   21    HD2  TYR   2           HD2      TYR   2   7.339   1.333   1.333
   22    HE1  TYR   2           HE1      TYR   2   3.403  -1.069  -1.069
   23    HE2  TYR   2           HE2      TYR   2   5.866   0.082   0.082
   24    HH   TYR   2           HH       TYR   2   3.727  -0.837  -0.837
   25    H    TYR   3           H        TYR   3   4.746   2.808   2.808
   26    HA   TYR   3           HA       TYR   3   5.705   5.548   5.548
   27   1HB   TYR   3          1HB       TYR   3   2.934   4.985   4.985
   28   2HB   TYR   3          2HB       TYR   3   3.039   6.141   6.141
   29    HD1  TYR   3           HD1      TYR   3   5.124   7.966   7.966
   30    HD2  TYR   3           HD2      TYR   3   2.965   5.908   5.908
   31    HE1  TYR   3           HE1      TYR   3   5.685   9.762   9.762
   32    HE2  TYR   3           HE2      TYR   3   3.519   7.708   7.708
   33    HH   TYR   3           HH       TYR   3   5.874   9.790   9.790
   34    H    GLY   4           H        GLY   4   4.312   6.345   6.345
   35   1HA   GLY   4          1HA       GLY   4   4.223   4.196   4.196
   36   2HA   GLY   4          2HA       GLY   4   3.724   5.885   5.885
   37    H    ASN   5           H        ASN   5   2.552   3.393   3.393
   38    HA   ASN   5           HA       ASN   5   0.302   2.703   2.703
   39   1HB   ASN   5          2HB       ASN   5   0.007   5.414   5.414
   40   2HB   ASN   5          1HB       ASN   5  -0.834   4.818   4.818
   41   1HD2  ASN   5          1HD2      ASN   5  -2.675   4.178   4.178
   42   2HD2  ASN   5          2HD2      ASN   5  -0.834   4.338   4.338
   43    H    GLY   6           H        GLY   6   1.918   1.652   1.652
   44   1HA   GLY   6          2HA       GLY   6   1.660   0.024   0.024
   45   2HA   GLY   6          1HA       GLY   6   0.031  -0.231  -0.231
   46    H    VAL   7           H        VAL   7   1.382   2.723   2.723
   47    HA   VAL   7           HA       VAL   7  -0.723   2.486   2.486
   48    HB   VAL   7           HB       VAL   7   0.744   4.760   4.760
   49   1HG1  VAL   7          2HG2      VAL   7   1.479   5.015   5.015
   50   2HG1  VAL   7          3HG2      VAL   7  -0.220   5.224   5.224
   51   3HG1  VAL   7          1HG2      VAL   7   0.568   6.401   6.401
   52   1HG2  VAL   7          3HG1      VAL   7  -1.825   4.332   4.332
   53   2HG2  VAL   7          1HG1      VAL   7  -1.347   6.003   6.003
   54   3HG2  VAL   7          2HG1      VAL   7  -2.041   4.941   4.941
   55    H    HIS   8           H        HIS   8  -0.307   2.744   2.744
   56    HA   HIS   8           HA       HIS   8   2.578   2.925   2.925
   57   1HB   HIS   8          1HB       HIS   8   0.867   0.631   0.631
   58   2HB   HIS   8          2HB       HIS   8   2.620   0.682   0.682
   59    HD1  HIS   8           HD1      HIS   8  -0.484   0.483   0.483
   60    HD2  HIS   8           HD2      HIS   8   3.550  -0.798  -0.798
   61    HE1  HIS   8           HE1      HIS   8   0.215  -1.150  -1.150
   62    HE2  HIS   8           HE2      HIS   8   2.665  -2.014  -2.014
   63    H    CYS   9           H        CYS   9   2.257   4.761   4.761
   64    HA   CYS   9           HA       CYS   9   0.148   4.914   4.914
   65   1HB   CYS   9          1HB       CYS   9   2.318   7.015   7.015
   66   2HB   CYS   9          2HB       CYS   9   0.755   7.290   7.290
   67    H    THR  10           H        THR  10   0.407   4.898   4.898
   68    HA   THR  10           HA       THR  10   3.217   4.478   4.478
   69    HB   THR  10           HB       THR  10   1.075   2.274   2.274
   70    HG1  THR  10           HG1      THR  10   2.824   1.117   1.117
   71   1HG2  THR  10          3HG2      THR  10   3.672   2.201   2.201
   72   2HG2  THR  10          1HG2      THR  10   2.594   0.815   0.815
   73   3HG2  THR  10          2HG2      THR  10   2.016   2.179   2.179
   74    H    LYS  11           H        LYS  11   0.556   3.101   3.101
   75    HA   LYS  11           HA       LYS  11   1.213   4.296   4.296
   76   1HB   LYS  11          1HB       LYS  11  -1.555   4.028   4.028
   77   2HB   LYS  11          2HB       LYS  11  -0.389   2.727   2.727
   78   1HG   LYS  11          1HG       LYS  11  -0.764   2.399   2.399
   79   2HG   LYS  11          2HG       LYS  11  -2.236   3.322   3.322
   80   1HD   LYS  11          1HD       LYS  11  -3.214   1.549   1.549
   81   2HD   LYS  11          2HD       LYS  11  -1.668   0.995   0.995
   82   1HE   LYS  11          1HE       LYS  11  -2.868   0.396   0.396
   83   2HE   LYS  11          2HE       LYS  11  -2.088  -0.720  -0.720
   84   1HZ   LYS  11          2HZ       LYS  11  -0.039   0.861   0.861
   85   2HZ   LYS  11          3HZ       LYS  11  -0.859   1.127   1.127
   86   3HZ   LYS  11          1HZ       LYS  11  -0.415  -0.434  -0.434
   87    H    SER  12           H        SER  12  -1.308   5.530   5.530
   88    HA   SER  12           HA       SER  12  -0.689   8.304   8.304
   89   1HB   SER  12          2HB       SER  12  -2.556   8.976   8.976
   90   2HB   SER  12          1HB       SER  12  -1.552   7.767   7.767
   91    HG   SER  12           HG       SER  12  -3.086   6.183   6.183
   92    H    GLY  13           H        GLY  13  -0.784   8.064   8.064
   93   1HA   GLY  13          1HA       GLY  13  -2.505   9.210   9.210
   94   2HA   GLY  13          2HA       GLY  13  -3.674   7.998   7.998
   95    H    CYS  14           H        CYS  14  -4.001   7.010   7.010
   96    HA   CYS  14           HA       CYS  14  -1.635   5.356   5.356
   97   1HB   CYS  14          1HB       CYS  14  -3.438   7.104   7.104
   98   2HB   CYS  14          2HB       CYS  14  -2.221   5.965   5.965
   99    H    SER  15           H        SER  15  -2.041   3.487   3.487
  100    HA   SER  15           HA       SER  15  -4.985   2.677   2.677
  101   1HB   SER  15          1HB       SER  15  -3.989   0.286   0.286
  102   2HB   SER  15          2HB       SER  15  -4.598   1.454   1.454
  103    HG   SER  15           HG       SER  15  -2.642   1.009   1.009
  104    H    VAL  16           H        VAL  16  -5.160   2.772   2.772
  105    HA   VAL  16           HA       VAL  16  -2.953   1.789   1.789
  106    HB   VAL  16           HB       VAL  16  -5.770   2.959   2.959
  107   1HG1  VAL  16          2HG2      VAL  16  -3.991   1.853   1.853
  108   2HG1  VAL  16          3HG2      VAL  16  -5.343   2.961   2.961
  109   3HG1  VAL  16          1HG2      VAL  16  -5.642   1.337   1.337
  110   1HG2  VAL  16          1HG1      VAL  16  -3.989   4.705   4.705
  111   2HG2  VAL  16          2HG1      VAL  16  -4.620   4.785   4.785
  112   3HG2  VAL  16          3HG1      VAL  16  -3.053   4.054   4.054
  113    H    ASN  17           H        ASN  17  -2.577  -0.069  -0.069
  114    HA   ASN  17           HA       ASN  17  -4.694  -2.217  -2.217
  115   1HB   ASN  17          2HB       ASN  17  -1.929  -2.331  -2.331
  116   2HB   ASN  17          1HB       ASN  17  -2.057  -2.672  -2.672
  117   1HD2  ASN  17          1HD2      ASN  17  -2.230  -6.039  -6.039
  118   2HD2  ASN  17          2HD2      ASN  17  -1.195  -4.726  -4.726
  119    H    TRP  18           H        TRP  18  -6.290  -1.753  -1.753
  120    HA   TRP  18           HA       TRP  18  -5.874  -0.698  -0.698
  121   1HB   TRP  18          2HB       TRP  18  -8.253  -1.750  -1.750
  122   2HB   TRP  18          1HB       TRP  18  -8.495  -1.540  -1.540
  123    HD1  TRP  18           HD1      TRP  18  -8.871   0.296   0.296
  124    HE1  TRP  18           HE1      TRP  18  -8.894   2.948   2.948
  125    HE3  TRP  18           HE3      TRP  18  -6.997   0.485   0.485
  126    HZ2  TRP  18           HZ2      TRP  18  -8.130   4.722   4.722
  127    HZ3  TRP  18           HZ3      TRP  18  -6.714   2.690   2.690
  128    HH2  TRP  18           HH2      TRP  18  -7.181   4.780   4.780
  129    H    GLY  19           H        GLY  19  -5.294  -3.783  -3.783
  130   1HA   GLY  19          1HA       GLY  19  -6.122  -4.988  -4.988
  131   2HA   GLY  19          2HA       GLY  19  -5.473  -5.886  -5.886
  132    H    GLU  20           H        GLU  20  -3.283  -4.066  -4.066
  133    HA   GLU  20           HA       GLU  20  -1.407  -5.144  -5.144
  134   1HB   GLU  20          1HB       GLU  20  -0.507  -5.077  -5.077
  135   2HB   GLU  20          2HB       GLU  20  -1.201  -3.514  -3.514
  136   1HG   GLU  20          1HG       GLU  20   0.920  -2.663  -2.663
  137   2HG   GLU  20          2HG       GLU  20   0.631  -2.810  -2.810
  138    HE1  GLU  20           HE2      GLU  20   2.687  -5.673  -5.673
  139    H    ALA  21           H        ALA  21  -3.143  -2.259  -2.259
  140    HA   ALA  21           HA       ALA  21  -1.496  -0.635  -0.635
  141   1HB   ALA  21          2HB       ALA  21  -2.886   0.449   0.449
  142   2HB   ALA  21          3HB       ALA  21  -4.374  -0.217  -0.217
  143   3HB   ALA  21          1HB       ALA  21  -3.427   1.005   1.005
  144    H    PHE  22           H        PHE  22  -4.387  -2.600  -2.600
  145    HA   PHE  22           HA       PHE  22  -5.151  -2.265  -2.265
  146   1HB   PHE  22          1HB       PHE  22  -6.460  -3.680  -3.680
  147   2HB   PHE  22          2HB       PHE  22  -5.138  -4.804  -4.804
  148    HD1  PHE  22           HD2      PHE  22  -7.626  -3.508  -3.508
  149    HD2  PHE  22           HD1      PHE  22  -5.004  -6.712  -6.712
  150    HE1  PHE  22           HE2      PHE  22  -8.636  -4.962  -4.962
  151    HE2  PHE  22           HE1      PHE  22  -6.011  -8.155  -8.155
  152    HZ   PHE  22           HZ       PHE  22  -7.826  -7.284  -7.284
  153    H    SER  23           H        SER  23  -3.215  -4.915  -4.915
  154    HA   SER  23           HA       SER  23  -2.126  -5.761  -5.761
  155   1HB   SER  23          1HB       SER  23  -0.963  -6.027  -6.027
  156   2HB   SER  23          2HB       SER  23  -0.211  -6.797  -6.797
  157    HG   SER  23           HG       SER  23  -2.102  -7.769  -7.769
  158    H    ALA  24           H        ALA  24  -1.141  -3.257  -3.257
  159    HA   ALA  24           HA       ALA  24   1.518  -2.758  -2.758
  160   1HB   ALA  24          2HB       ALA  24   0.437  -1.568  -1.568
  161   2HB   ALA  24          3HB       ALA  24  -0.647  -0.691  -0.691
  162   3HB   ALA  24          1HB       ALA  24   1.106  -0.382  -0.382
  163    H    GLY  25           H        GLY  25  -1.417  -1.079  -1.079
  164   1HA   GLY  25          1HA       GLY  25   0.247  -0.248  -0.248
  165   2HA   GLY  25          2HA       GLY  25  -1.351   0.427   0.427
  166    H    VAL  26           H        VAL  26  -1.695  -2.867  -2.867
  167    HA   VAL  26           HA       VAL  26  -2.606  -3.312  -3.312
  168    HB   VAL  26           HB       VAL  26  -2.919  -4.691  -4.691
  169   1HG1  VAL  26          2HG2      VAL  26  -1.608  -6.543  -6.543
  170   2HG1  VAL  26          3HG2      VAL  26  -2.531  -7.124  -7.124
  171   3HG1  VAL  26          1HG2      VAL  26  -1.021  -6.213  -6.213
  172   1HG2  VAL  26          1HG1      VAL  26  -4.845  -4.476  -4.476
  173   2HG2  VAL  26          2HG1      VAL  26  -4.586  -6.183  -6.183
  174   3HG2  VAL  26          3HG1      VAL  26  -4.057  -5.605  -5.605
  175    H    HIS  27           H        HIS  27   0.196  -3.824  -3.824
  176    HA   HIS  27           HA       HIS  27   1.769  -4.873  -4.873
  177   1HB   HIS  27          1HB       HIS  27   2.634  -3.654  -3.654
  178   2HB   HIS  27          2HB       HIS  27   3.714  -4.539  -4.539
  179    HD1  HIS  27           HD1      HIS  27   0.809  -6.654  -6.654
  180    HD2  HIS  27           HD2      HIS  27   3.470  -5.576  -5.576
  181    HE1  HIS  27           HE1      HIS  27   0.786  -8.480  -8.480
  182    HE2  HIS  27           HE2      HIS  27   2.360  -7.942  -7.942
  183    H    ARG  28           H        ARG  28   0.988  -1.729  -1.729
  184    HA   ARG  28           HA       ARG  28   2.965  -0.398  -0.398
  185   1HB   ARG  28          1HB       ARG  28   0.446   0.660   0.660
  186   2HB   ARG  28          2HB       ARG  28   1.453   1.696   1.696
  187   1HG   ARG  28          1HG       ARG  28   2.063   0.440   0.440
  188   2HG   ARG  28          2HG       ARG  28   2.310   2.094   2.094
  189   1HD   ARG  28          1HD       ARG  28   4.103   0.791   0.791
  190   2HD   ARG  28          2HD       ARG  28   4.096  -0.336  -0.336
  191    HE   ARG  28           HE       ARG  28   4.360   2.633   2.633
  192   1HH1  ARG  28          2HH1      ARG  28   5.896  -0.485  -0.485
  193   2HH1  ARG  28          1HH1      ARG  28   7.301   0.121   0.121
  194   1HH2  ARG  28          1HH2      ARG  28   5.911   3.211   3.211
  195   2HH2  ARG  28          2HH2      ARG  28   7.315   2.128   2.128
  196    H    LEU  29           H        LEU  29  -0.301  -1.564  -1.564
  197    HA   LEU  29           HA       LEU  29  -0.777  -0.285  -0.285
  198   1HB   LEU  29          2HB       LEU  29  -2.854  -0.766  -0.766
  199   2HB   LEU  29          1HB       LEU  29  -2.243  -2.027  -2.027
  200    HG   LEU  29           HG       LEU  29  -2.551  -3.751  -3.751
  201   1HD1  LEU  29          3HD2      LEU  29  -1.675  -2.455  -2.455
  202   2HD1  LEU  29          1HD2      LEU  29  -3.254  -1.675  -1.675
  203   3HD1  LEU  29          2HD2      LEU  29  -3.118  -3.445  -3.445
  204   1HD2  LEU  29          2HD1      LEU  29  -4.637  -2.829  -2.829
  205   2HD2  LEU  29          3HD1      LEU  29  -4.991  -3.579  -3.579
  206   3HD2  LEU  29          1HD1      LEU  29  -4.932  -1.806  -1.806
  207    H    ALA  30           H        ALA  30   0.214  -3.447  -3.447
  208    HA   ALA  30           HA       ALA  30   0.684  -4.237  -4.237
  209   1HB   ALA  30          2HB       ALA  30  -0.867  -5.718  -5.718
  210   2HB   ALA  30          3HB       ALA  30   0.399  -5.978  -5.978
  211   3HB   ALA  30          1HB       ALA  30   0.604  -6.613  -6.613
  212    H    ASN  31           H        ASN  31   2.366  -2.453  -2.453
  213    HA   ASN  31           HA       ASN  31   4.866  -4.025  -4.025
  214   1HB   ASN  31          1HB       ASN  31   4.887  -1.957  -1.957
  215   2HB   ASN  31          2HB       ASN  31   4.059  -1.077  -1.077
  216   1HD2  ASN  31          1HD2      ASN  31   7.272   0.386   0.386
  217   2HD2  ASN  31          2HD2      ASN  31   5.553   0.620   0.620
  218    H    GLY  32           H        GLY  32   4.177  -1.499  -1.499
  219   1HA   GLY  32          2HA       GLY  32   4.660  -2.266  -2.266
  220   2HA   GLY  32          1HA       GLY  32   6.163  -2.972  -2.972
  221    H    GLY  33           H        GLY  33   4.343  -0.046  -0.046
  222   1HA   GLY  33          1HA       GLY  33   6.851   1.543   1.543
  223   2HA   GLY  33          2HA       GLY  33   6.046   2.026   2.026
  224    H    ASN  34           H        ASN  34   5.919   1.760   1.760
  225    HA   ASN  34           HA       ASN  34   3.316   3.320   3.320
  226   1HB   ASN  34          2HB       ASN  34   4.241   1.382   1.382
  227   2HB   ASN  34          1HB       ASN  34   5.227   2.651   2.651
  228   1HD2  ASN  34          1HD2      ASN  34   2.081   2.431   2.431
  229   2HD2  ASN  34          2HD2      ASN  34   3.333   1.184   1.184
  230    H    GLY  35           H        GLY  35   6.761   3.743   3.743
  231   1HA   GLY  35          2HA       GLY  35   6.934   6.317   6.317
  232   2HA   GLY  35          1HA       GLY  35   8.013   5.808   5.808
  233    H    PHE  36           H        PHE  36   6.354   5.586   5.586
  234    HA   PHE  36           HA       PHE  36   6.122   8.320   8.320
  235   1HB   PHE  36          2HB       PHE  36   6.062   6.629   6.629
  236   2HB   PHE  36          1HB       PHE  36   4.888   5.649   5.649
  237    HD1  PHE  36           HD1      PHE  36   5.003   9.193   9.193
  238    HD2  PHE  36           HD2      PHE  36   2.786   5.523   5.523
  239    HE1  PHE  36           HE1      PHE  36   3.267  10.122  10.122
  240    HE2  PHE  36           HE2      PHE  36   1.034   6.474   6.474
  241    HZ   PHE  36           HZ       PHE  36   1.256   8.785   8.785
  242    H    TRP  37           H        TRP  37   4.490   9.705   9.705
  243    HA   TRP  37           HA       TRP  37   2.708  10.055  10.055
  244   1HB   TRP  37          1HB       TRP  37   1.891  11.234  11.234
  245   2HB   TRP  37          2HB       TRP  37   1.937  12.015  12.015
  246    HD1  TRP  37           HD1      TRP  37   3.874  11.814  11.814
  247    HE1  TRP  37           HE1      TRP  37   6.160  13.165  13.165
  248    HE3  TRP  37           HE3      TRP  37   4.002  12.250  12.250
  249    HZ2  TRP  37           HZ2      TRP  37   7.649  14.249  14.249
  250    HZ3  TRP  37           HZ3      TRP  37   5.824  13.559  13.559
  251    HH2  TRP  37           HH2      TRP  37   7.685  14.441  14.441
  252    HXT  TRP  37           HXT      TRP  37  -0.226   8.609   8.609

  Start of MODEL   16
    1   1H    LYS   1          2H        LYS   1   6.317   5.581   5.581
    2   2H    LYS   1          3H        LYS   1   6.727   6.374   6.374
    3   3H    LYS   1          1H        LYS   1   5.319   5.458   5.458
    4    HA   LYS   1           HA       LYS   1   6.571   3.971   3.971
    5   1HB   LYS   1          1HB       LYS   1   9.076   3.862   3.862
    6   2HB   LYS   1          2HB       LYS   1   8.546   5.462   5.462
    7   1HG   LYS   1          1HG       LYS   1   8.533   5.944   5.944
    8   2HG   LYS   1          2HG       LYS   1   9.601   4.543   4.543
    9   1HD   LYS   1          1HD       LYS   1  10.335   7.214   7.214
   10   2HD   LYS   1          2HD       LYS   1  11.365   5.817   5.817
   11   1HE   LYS   1          1HE       LYS   1   9.637   5.990   5.990
   12   2HE   LYS   1          2HE       LYS   1   9.999   7.683   7.683
   13   1HZ   LYS   1          3HZ       LYS   1  12.413   6.639   6.639
   14   2HZ   LYS   1          1HZ       LYS   1  11.811   5.550   5.550
   15   3HZ   LYS   1          2HZ       LYS   1  11.845   7.194   7.194
   16    H    TYR   2           H        TYR   2   4.937   3.341   3.341
   17    HA   TYR   2           HA       TYR   2   4.392   1.786   1.786
   18   1HB   TYR   2          1HB       TYR   2   6.221   0.385   0.385
   19   2HB   TYR   2          2HB       TYR   2   7.267   0.668   0.668
   20    HD1  TYR   2           HD2      TYR   2   6.101   0.148   0.148
   21    HD2  TYR   2           HD1      TYR   2   5.034  -1.681  -1.681
   22    HE1  TYR   2           HE2      TYR   2   5.145  -1.767  -1.767
   23    HE2  TYR   2           HE1      TYR   2   4.083  -3.603  -3.603
   24    HH   TYR   2           HH       TYR   2   3.236  -3.583  -3.583
   25    H    TYR   3           H        TYR   3   4.457   1.451   1.451
   26    HA   TYR   3           HA       TYR   3   6.633   2.915   2.915
   27   1HB   TYR   3          1HB       TYR   3   3.624   3.688   3.688
   28   2HB   TYR   3          2HB       TYR   3   4.783   4.212   4.212
   29    HD1  TYR   3           HD2      TYR   3   7.179   4.898   4.898
   30    HD2  TYR   3           HD1      TYR   3   3.022   5.711   5.711
   31    HE1  TYR   3           HE2      TYR   3   7.800   6.840   6.840
   32    HE2  TYR   3           HE1      TYR   3   3.658   7.663   7.663
   33    HH   TYR   3           HH       TYR   3   5.328   8.767   8.767
   34    H    GLY   4           H        GLY   4   5.991   2.930   2.930
   35   1HA   GLY   4          1HA       GLY   4   6.125   0.016   0.016
   36   2HA   GLY   4          2HA       GLY   4   6.198   1.335   1.335
   37    H    ASN   5           H        ASN   5   3.427   1.901   1.901
   38    HA   ASN   5           HA       ASN   5   1.844  -0.181  -0.181
   39   1HB   ASN   5          1HB       ASN   5   0.847   2.710   2.710
   40   2HB   ASN   5          2HB       ASN   5   0.156   1.519   1.519
   41   1HD2  ASN   5          1HD2      ASN   5   2.005   3.855   3.855
   42   2HD2  ASN   5          2HD2      ASN   5   0.544   3.916   3.916
   43    H    GLY   6           H        GLY   6   2.739  -0.443  -0.443
   44   1HA   GLY   6          1HA       GLY   6   1.938  -0.856  -0.856
   45   2HA   GLY   6          2HA       GLY   6   0.429  -1.331  -1.331
   46    H    VAL   7           H        VAL   7   1.889   1.875   1.875
   47    HA   VAL   7           HA       VAL   7  -0.614   2.921   2.921
   48    HB   VAL   7           HB       VAL   7   1.584   4.188   4.188
   49   1HG1  VAL   7          2HG2      VAL   7   1.138   5.774   5.774
   50   2HG1  VAL   7          3HG2      VAL   7  -0.538   5.909   5.909
   51   3HG1  VAL   7          1HG2      VAL   7   0.784   6.478   6.478
   52   1HG2  VAL   7          3HG1      VAL   7  -0.594   3.274   3.274
   53   2HG2  VAL   7          1HG1      VAL   7  -0.157   4.958   4.958
   54   3HG2  VAL   7          2HG1      VAL   7  -1.460   4.587   4.587
   55    H    HIS   8           H        HIS   8  -0.375   2.489   2.489
   56    HA   HIS   8           HA       HIS   8   2.239   3.315   3.315
   57   1HB   HIS   8          1HB       HIS   8  -0.177   2.008   2.008
   58   2HB   HIS   8          2HB       HIS   8   1.538   1.683   1.683
   59    HD1  HIS   8           HD1      HIS   8  -1.446   0.120   0.120
   60    HD2  HIS   8           HD2      HIS   8   2.785   0.533   0.533
   61    HE1  HIS   8           HE1      HIS   8  -0.685  -1.705  -1.705
   62    HE2  HIS   8           HE2      HIS   8   1.886  -1.573  -1.573
   63    H    CYS   9           H        CYS   9   2.471   5.218   5.218
   64    HA   CYS   9           HA       CYS   9   0.047   6.758   6.758
   65   1HB   CYS   9          1HB       CYS   9   2.181   7.410   7.410
   66   2HB   CYS   9          2HB       CYS   9   2.464   8.409   8.409
   67    H    THR  10           H        THR  10  -0.205   6.947   6.947
   68    HA   THR  10           HA       THR  10   2.314   7.511   7.511
   69    HB   THR  10           HB       THR  10   2.036   5.781   5.781
   70    HG1  THR  10           HG1      THR  10   0.014   4.971   4.971
   71   1HG2  THR  10          3HG2      THR  10   0.307   4.520   4.520
   72   2HG2  THR  10          1HG2      THR  10   1.065   3.631   3.631
   73   3HG2  THR  10          2HG2      THR  10   2.079   4.398   4.398
   74    H    LYS  11           H        LYS  11   2.018   8.444   8.444
   75    HA   LYS  11           HA       LYS  11   1.109  10.210  10.210
   76   1HB   LYS  11          1HB       LYS  11  -0.982   9.619   9.619
   77   2HB   LYS  11          2HB       LYS  11  -0.245   8.084   8.084
   78   1HG   LYS  11          1HG       LYS  11  -1.907   7.581   7.581
   79   2HG   LYS  11          2HG       LYS  11  -2.053   9.253   9.253
   80   1HD   LYS  11          1HD       LYS  11  -3.238   8.000   8.000
   81   2HD   LYS  11          2HD       LYS  11  -4.133   8.379   8.379
   82   1HE   LYS  11          1HE       LYS  11  -3.789  10.795  10.795
   83   2HE   LYS  11          2HE       LYS  11  -2.543  10.582  10.582
   84   1HZ   LYS  11          1HZ       LYS  11  -5.229   9.460   9.460
   85   2HZ   LYS  11          2HZ       LYS  11  -4.961  11.107  11.107
   86   3HZ   LYS  11          3HZ       LYS  11  -4.077   9.988   9.988
   87    H    SER  12           H        SER  12   1.370  10.911  10.911
   88    HA   SER  12           HA       SER  12   0.686  12.649  12.649
   89   1HB   SER  12          2HB       SER  12  -0.214  14.710  14.710
   90   2HB   SER  12          1HB       SER  12   0.934  14.011  14.011
   91    HG   SER  12           HG       SER  12  -1.727  14.496  14.496
   92    H    GLY  13           H        GLY  13  -0.346  11.078  11.078
   93   1HA   GLY  13          2HA       GLY  13  -2.871  11.507  11.507
   94   2HA   GLY  13          1HA       GLY  13  -3.345  10.712  10.712
   95    H    CYS  14           H        CYS  14  -3.911   9.608   9.608
   96    HA   CYS  14           HA       CYS  14  -1.871   7.311   7.311
   97   1HB   CYS  14          1HB       CYS  14  -2.649   9.235   9.235
   98   2HB   CYS  14          2HB       CYS  14  -3.198   7.633   7.633
   99    H    SER  15           H        SER  15  -2.528   5.346   5.346
  100    HA   SER  15           HA       SER  15  -5.505   4.850   4.850
  101   1HB   SER  15          1HB       SER  15  -4.436   4.565   4.565
  102   2HB   SER  15          2HB       SER  15  -4.118   2.949   2.949
  103    HG   SER  15           HG       SER  15  -6.495   4.176   4.176
  104    H    VAL  16           H        VAL  16  -5.105   4.454   4.454
  105    HA   VAL  16           HA       VAL  16  -2.908   2.605   2.605
  106    HB   VAL  16           HB       VAL  16  -5.344   3.722   3.722
  107   1HG1  VAL  16          2HG2      VAL  16  -2.784   2.403   2.403
  108   2HG1  VAL  16          3HG2      VAL  16  -3.928   3.329   3.329
  109   3HG1  VAL  16          1HG2      VAL  16  -4.457   1.824   1.824
  110   1HG2  VAL  16          1HG1      VAL  16  -3.878   5.653   5.653
  111   2HG2  VAL  16          2HG1      VAL  16  -3.779   5.390   5.390
  112   3HG2  VAL  16          3HG1      VAL  16  -2.460   4.863   4.863
  113    H    ASN  17           H        ASN  17  -2.883   0.665   0.665
  114    HA   ASN  17           HA       ASN  17  -5.371  -1.025  -1.025
  115   1HB   ASN  17          2HB       ASN  17  -2.555  -1.474  -1.474
  116   2HB   ASN  17          1HB       ASN  17  -2.922  -2.426  -2.426
  117   1HD2  ASN  17          1HD2      ASN  17  -4.330  -5.008  -5.008
  118   2HD2  ASN  17          2HD2      ASN  17  -3.772  -4.402  -4.402
  119    H    TRP  18           H        TRP  18  -6.762  -1.083  -1.083
  120    HA   TRP  18           HA       TRP  18  -5.976  -0.438  -0.438
  121   1HB   TRP  18          1HB       TRP  18  -8.588  -1.183  -1.183
  122   2HB   TRP  18          2HB       TRP  18  -8.597  -1.169  -1.169
  123    HD1  TRP  18           HD1      TRP  18  -9.227   1.121   1.121
  124    HE1  TRP  18           HE1      TRP  18  -9.122   3.704   3.704
  125    HE3  TRP  18           HE3      TRP  18  -6.886   0.506   0.506
  126    HZ2  TRP  18           HZ2      TRP  18  -8.094   5.099   5.099
  127    HZ3  TRP  18           HZ3      TRP  18  -6.404   2.497   2.497
  128    HH2  TRP  18           HH2      TRP  18  -6.935   4.765   4.765
  129    H    GLY  19           H        GLY  19  -5.389  -3.233  -3.233
  130   1HA   GLY  19          1HA       GLY  19  -6.104  -4.888  -4.888
  131   2HA   GLY  19          2HA       GLY  19  -5.494  -5.536  -5.536
  132    H    GLU  20           H        GLU  20  -3.361  -4.039  -4.039
  133    HA   GLU  20           HA       GLU  20  -1.313  -4.991  -4.991
  134   1HB   GLU  20          1HB       GLU  20  -1.465  -3.085  -3.085
  135   2HB   GLU  20          2HB       GLU  20  -0.051  -2.921  -2.921
  136   1HG   GLU  20          1HG       GLU  20   0.198  -4.437  -4.437
  137   2HG   GLU  20          2HG       GLU  20   0.810  -5.108  -5.108
  138    HE2  GLU  20           HE2      GLU  20  -1.770  -7.088  -7.088
  139    H    ALA  21           H        ALA  21  -3.216  -2.161  -2.161
  140    HA   ALA  21           HA       ALA  21  -1.504  -0.661  -0.661
  141   1HB   ALA  21          2HB       ALA  21  -2.879   0.553   0.553
  142   2HB   ALA  21          3HB       ALA  21  -4.378  -0.132  -0.132
  143   3HB   ALA  21          1HB       ALA  21  -3.412   1.020   1.020
  144    H    PHE  22           H        PHE  22  -4.343  -2.708  -2.708
  145    HA   PHE  22           HA       PHE  22  -5.104  -2.369  -2.369
  146   1HB   PHE  22          1HB       PHE  22  -6.336  -3.801  -3.801
  147   2HB   PHE  22          2HB       PHE  22  -5.073  -4.994  -4.994
  148    HD1  PHE  22           HD2      PHE  22  -4.613  -5.366  -5.366
  149    HD2  PHE  22           HD1      PHE  22  -8.296  -4.633  -4.633
  150    HE1  PHE  22           HE2      PHE  22  -5.860  -6.547  -6.547
  151    HE2  PHE  22           HE1      PHE  22  -9.534  -5.801  -5.801
  152    HZ   PHE  22           HZ       PHE  22  -8.323  -6.763  -6.763
  153    H    SER  23           H        SER  23  -2.987  -4.803  -4.803
  154    HA   SER  23           HA       SER  23  -2.013  -5.855  -5.855
  155   1HB   SER  23          1HB       SER  23  -0.723  -7.264  -7.264
  156   2HB   SER  23          2HB       SER  23  -1.672  -6.653  -6.653
  157    HG   SER  23           HG       SER  23   0.843  -6.592  -6.592
  158    H    ALA  24           H        ALA  24  -0.840  -3.270  -3.270
  159    HA   ALA  24           HA       ALA  24   1.637  -2.729  -2.729
  160   1HB   ALA  24          2HB       ALA  24   0.956  -1.645  -1.645
  161   2HB   ALA  24          3HB       ALA  24  -0.331  -0.736  -0.736
  162   3HB   ALA  24          1HB       ALA  24   1.379  -0.399  -0.399
  163    H    GLY  25           H        GLY  25  -1.625  -1.501  -1.501
  164   1HA   GLY  25          2HA       GLY  25  -0.686   0.138   0.138
  165   2HA   GLY  25          1HA       GLY  25  -2.370  -0.069  -0.069
  166    H    VAL  26           H        VAL  26  -1.883  -3.102  -3.102
  167    HA   VAL  26           HA       VAL  26  -2.704  -3.531  -3.531
  168    HB   VAL  26           HB       VAL  26  -1.650  -5.507  -5.507
  169   1HG1  VAL  26          1HG1      VAL  26  -3.275  -6.267  -6.267
  170   2HG1  VAL  26          2HG1      VAL  26  -2.867  -7.368  -7.368
  171   3HG1  VAL  26          3HG1      VAL  26  -1.585  -6.711  -6.711
  172   1HG2  VAL  26          2HG2      VAL  26  -3.780  -4.361  -4.361
  173   2HG2  VAL  26          3HG2      VAL  26  -4.016  -6.095  -6.095
  174   3HG2  VAL  26          1HG2      VAL  26  -4.618  -4.940  -4.940
  175    H    HIS  27           H        HIS  27   0.158  -4.647  -4.647
  176    HA   HIS  27           HA       HIS  27   1.611  -5.299  -5.299
  177   1HB   HIS  27          1HB       HIS  27   3.517  -5.650  -5.650
  178   2HB   HIS  27          2HB       HIS  27   2.112  -5.870  -5.870
  179    HD1  HIS  27           HD1      HIS  27   2.197  -4.451  -4.451
  180    HD2  HIS  27           HD2      HIS  27   4.417  -2.967  -2.967
  181    HE1  HIS  27           HE1      HIS  27   3.469  -2.396  -2.396
  182    HE2  HIS  27           HE2      HIS  27   4.900  -1.405  -1.405
  183    H    ARG  28           H        ARG  28   1.087  -2.324  -2.324
  184    HA   ARG  28           HA       ARG  28   3.020  -0.802  -0.802
  185   1HB   ARG  28          1HB       ARG  28   1.477  -0.268  -0.268
  186   2HB   ARG  28          2HB       ARG  28   0.536   0.580   0.580
  187   1HG   ARG  28          2HG       ARG  28   3.360   1.287   1.287
  188   2HG   ARG  28          1HG       ARG  28   3.050   1.408   1.408
  189   1HD   ARG  28          1HD       ARG  28   1.625   2.914   2.914
  190   2HD   ARG  28          2HD       ARG  28   2.518   3.577   3.577
  191    HE   ARG  28           HE       ARG  28   0.597   2.221   2.221
  192   1HH1  ARG  28          2HH1      ARG  28   0.171   4.147   4.147
  193   2HH1  ARG  28          1HH1      ARG  28  -1.572   4.561   4.561
  194   1HH2  ARG  28          1HH2      ARG  28  -1.294   2.709   2.709
  195   2HH2  ARG  28          2HH2      ARG  28  -2.374   3.783   3.783
  196    H    LEU  29           H        LEU  29  -0.395  -1.600  -1.600
  197    HA   LEU  29           HA       LEU  29  -0.964  -0.170  -0.170
  198   1HB   LEU  29          1HB       LEU  29  -3.001  -1.042  -1.042
  199   2HB   LEU  29          2HB       LEU  29  -2.275  -2.131  -2.131
  200    HG   LEU  29           HG       LEU  29  -2.105  -3.939  -3.939
  201   1HD1  LEU  29          2HD1      LEU  29  -1.590  -2.587  -2.587
  202   2HD1  LEU  29          3HD1      LEU  29  -3.254  -1.953  -1.953
  203   3HD1  LEU  29          1HD1      LEU  29  -2.951  -3.687  -3.687
  204   1HD2  LEU  29          2HD2      LEU  29  -4.886  -2.574  -2.574
  205   2HD2  LEU  29          3HD2      LEU  29  -4.283  -3.740  -3.740
  206   3HD2  LEU  29          1HD2      LEU  29  -4.573  -4.271  -4.271
  207    H    ALA  30           H        ALA  30   0.613  -3.223  -3.223
  208    HA   ALA  30           HA       ALA  30   1.042  -3.451  -3.451
  209   1HB   ALA  30          2HB       ALA  30  -0.180  -5.392  -5.392
  210   2HB   ALA  30          3HB       ALA  30   1.155  -5.629  -5.629
  211   3HB   ALA  30          1HB       ALA  30   1.409  -5.923  -5.923
  212    H    ASN  31           H        ASN  31   2.413  -1.615  -1.615
  213    HA   ASN  31           HA       ASN  31   5.132  -2.752  -2.752
  214   1HB   ASN  31          1HB       ASN  31   4.643  -0.801  -0.801
  215   2HB   ASN  31          2HB       ASN  31   3.840   0.033   0.033
  216   1HD2  ASN  31          1HD2      ASN  31   7.771   0.680   0.680
  217   2HD2  ASN  31          2HD2      ASN  31   6.818  -0.513  -0.513
  218    H    GLY  32           H        GLY  32   3.591  -0.945  -0.945
  219   1HA   GLY  32          1HA       GLY  32   6.166  -0.525  -0.525
  220   2HA   GLY  32          2HA       GLY  32   4.537  -0.215  -0.215
  221    H    GLY  33           H        GLY  33   3.418  -2.738  -2.738
  222   1HA   GLY  33          1HA       GLY  33   3.840  -5.138  -5.138
  223   2HA   GLY  33          2HA       GLY  33   5.177  -4.624  -4.624
  224    H    ASN  34           H        ASN  34   1.949  -5.362  -5.362
  225    HA   ASN  34           HA       ASN  34   1.390  -4.345  -4.345
  226   1HB   ASN  34          2HB       ASN  34  -0.015  -3.605  -3.605
  227   2HB   ASN  34          1HB       ASN  34  -0.956  -4.984  -4.984
  228   1HD2  ASN  34          1HD2      ASN  34  -1.410  -1.556  -1.556
  229   2HD2  ASN  34          2HD2      ASN  34  -0.125  -1.689  -1.689
  230    H    GLY  35           H        GLY  35   0.863  -6.874  -6.874
  231   1HA   GLY  35          2HA       GLY  35   0.923  -9.263  -9.263
  232   2HA   GLY  35          1HA       GLY  35   0.961  -8.910  -8.910
  233    H    PHE  36           H        PHE  36  -0.857  -9.941  -9.941
  234    HA   PHE  36           HA       PHE  36  -3.517  -9.155  -9.155
  235   1HB   PHE  36          1HB       PHE  36  -2.836  -9.267  -9.267
  236   2HB   PHE  36          2HB       PHE  36  -3.128 -10.975 -10.975
  237    HD1  PHE  36           HD1      PHE  36  -5.223  -8.479  -8.479
  238    HD2  PHE  36           HD2      PHE  36  -4.957 -11.064 -11.064
  239    HE1  PHE  36           HE1      PHE  36  -7.603  -8.083  -8.083
  240    HE2  PHE  36           HE2      PHE  36  -7.350 -10.689 -10.689
  241    HZ   PHE  36           HZ       PHE  36  -8.674  -9.185  -9.185
  242    H    TRP  37           H        TRP  37  -5.190 -10.670 -10.670
  243    HA   TRP  37           HA       TRP  37  -6.078 -12.691 -12.691
  244   1HB   TRP  37          1HB       TRP  37  -4.198 -13.619 -13.619
  245   2HB   TRP  37          2HB       TRP  37  -3.536 -14.322 -14.322
  246    HD1  TRP  37           HD1      TRP  37  -7.188 -14.140 -14.140
  247    HE1  TRP  37           HE1      TRP  37  -8.396 -16.492 -16.492
  248    HE3  TRP  37           HE3      TRP  37  -3.310 -16.505 -16.505
  249    HZ2  TRP  37           HZ2      TRP  37  -7.586 -18.958 -18.958
  250    HZ3  TRP  37           HZ3      TRP  37  -3.585 -18.862 -18.862
  251    HH2  TRP  37           HH2      TRP  37  -5.656 -20.100 -20.100
  252    HXT  TRP  37           HXT      TRP  37  -3.065 -13.099 -13.099

  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   9.210   0.804   0.804
    2   2H    LYS   1          2H        LYS   1  10.663   1.638   1.638
    3   3H    LYS   1          3H        LYS   1  10.419   0.218   0.218
    4    HA   LYS   1           HA       LYS   1  10.180   1.912   1.912
    5   1HB   LYS   1          1HB       LYS   1   8.974   3.268   3.268
    6   2HB   LYS   1          2HB       LYS   1   8.030   3.535   3.535
    7   1HG   LYS   1          2HG       LYS   1   9.509   5.280   5.280
    8   2HG   LYS   1          1HG       LYS   1  10.589   4.042   4.042
    9   1HD   LYS   1          1HD       LYS   1  12.140   4.608   4.608
   10   2HD   LYS   1          2HD       LYS   1  11.116   3.944   3.944
   11   1HE   LYS   1          1HE       LYS   1  11.649   6.349   6.349
   12   2HE   LYS   1          2HE       LYS   1   9.908   6.161   6.161
   13   1HZ   LYS   1          1HZ       LYS   1  11.257   6.606   6.606
   14   2HZ   LYS   1          2HZ       LYS   1  11.595   7.832   7.832
   15   3HZ   LYS   1          3HZ       LYS   1  10.000   7.469   7.469
   16    H    TYR   2           H        TYR   2   9.184   1.075   1.075
   17    HA   TYR   2           HA       TYR   2   6.652  -0.489  -0.489
   18   1HB   TYR   2          1HB       TYR   2   8.430  -1.574  -1.574
   19   2HB   TYR   2          2HB       TYR   2   8.438  -0.235  -0.235
   20    HD1  TYR   2           HD1      TYR   2   6.358  -3.142  -3.142
   21    HD2  TYR   2           HD2      TYR   2   6.889  -0.045  -0.045
   22    HE1  TYR   2           HE1      TYR   2   4.679  -4.217  -4.217
   23    HE2  TYR   2           HE2      TYR   2   5.212  -1.121  -1.121
   24    HH   TYR   2           HH       TYR   2   3.133  -2.768  -2.768
   25    H    TYR   3           H        TYR   3   7.327   2.641   2.641
   26    HA   TYR   3           HA       TYR   3   6.048   4.300   4.300
   27   1HB   TYR   3          1HB       TYR   3   4.004   2.439   2.439
   28   2HB   TYR   3          2HB       TYR   3   3.360   3.631   3.631
   29    HD1  TYR   3           HD2      TYR   3   4.619   6.114   6.114
   30    HD2  TYR   3           HD1      TYR   3   3.851   3.127   3.127
   31    HE1  TYR   3           HE2      TYR   3   4.667   7.845   7.845
   32    HE2  TYR   3           HE1      TYR   3   3.894   4.878   4.878
   33    HH   TYR   3           HH       TYR   3   4.857   7.118   7.118
   34    H    GLY   4           H        GLY   4   3.851   4.517   4.517
   35   1HA   GLY   4          1HA       GLY   4   4.458   2.815   2.815
   36   2HA   GLY   4          2HA       GLY   4   3.758   4.447   4.447
   37    H    ASN   5           H        ASN   5   2.535   2.955   2.955
   38    HA   ASN   5           HA       ASN   5   0.542   1.676   1.676
   39   1HB   ASN   5          1HB       ASN   5  -1.358   3.153   3.153
   40   2HB   ASN   5          2HB       ASN   5   0.024   4.203   4.203
   41   1HD2  ASN   5          1HD2      ASN   5  -2.054   5.650   5.650
   42   2HD2  ASN   5          2HD2      ASN   5  -2.287   5.211   5.211
   43    H    GLY   6           H        GLY   6   1.526   0.089   0.089
   44   1HA   GLY   6          2HA       GLY   6   0.934  -1.703  -1.703
   45   2HA   GLY   6          1HA       GLY   6  -0.740  -1.374  -1.374
   46    H    VAL   7           H        VAL   7   1.703   0.406   0.406
   47    HA   VAL   7           HA       VAL   7  -0.218   0.159   0.159
   48    HB   VAL   7           HB       VAL   7   1.375   2.528   2.528
   49   1HG1  VAL   7          2HG2      VAL   7   2.235   2.185   2.185
   50   2HG1  VAL   7          3HG2      VAL   7   0.588   2.467   2.467
   51   3HG1  VAL   7          1HG2      VAL   7   1.458   3.759   3.759
   52   1HG2  VAL   7          3HG1      VAL   7  -1.236   2.429   2.429
   53   2HG2  VAL   7          1HG1      VAL   7  -0.560   3.928   3.928
   54   3HG2  VAL   7          2HG1      VAL   7  -1.316   2.702   2.702
   55    H    HIS   8           H        HIS   8   0.735   0.176   0.176
   56    HA   HIS   8           HA       HIS   8   3.701  -0.124  -0.124
   57   1HB   HIS   8          1HB       HIS   8   2.013  -2.501  -2.501
   58   2HB   HIS   8          2HB       HIS   8   3.719  -2.519  -2.519
   59    HD1  HIS   8           HD1      HIS   8   0.226  -2.314  -2.314
   60    HD2  HIS   8           HD2      HIS   8   4.348  -3.523  -3.523
   61    HE1  HIS   8           HE1      HIS   8   0.566  -3.572  -3.572
   62    HE2  HIS   8           HE2      HIS   8   3.047  -4.369  -4.369
   63    H    CYS   9           H        CYS   9   3.929   1.403   1.403
   64    HA   CYS   9           HA       CYS   9   2.459   1.000   1.000
   65   1HB   CYS   9          1HB       CYS   9   2.884   3.773   3.773
   66   2HB   CYS   9          2HB       CYS   9   1.874   3.391   3.391
   67    H    THR  10           H        THR  10   3.302   2.508   2.508
   68    HA   THR  10           HA       THR  10   5.155   2.922   2.922
   69    HB   THR  10           HB       THR  10   7.278   3.333   3.333
   70    HG1  THR  10           HG1      THR  10   6.236   5.009   5.009
   71   1HG2  THR  10          3HG2      THR  10   5.760   5.426   5.426
   72   2HG2  THR  10          1HG2      THR  10   7.251   5.732   5.732
   73   3HG2  THR  10          2HG2      THR  10   7.288   4.638   4.638
   74    H    LYS  11           H        LYS  11   4.559   0.329   0.329
   75    HA   LYS  11           HA       LYS  11   7.329  -0.830  -0.830
   76   1HB   LYS  11          1HB       LYS  11   7.236  -1.954  -1.954
   77   2HB   LYS  11          2HB       LYS  11   5.567  -1.480  -1.480
   78   1HG   LYS  11          1HG       LYS  11   5.021  -3.706  -3.706
   79   2HG   LYS  11          2HG       LYS  11   5.284  -3.428  -3.428
   80   1HD   LYS  11          1HD       LYS  11   7.092  -4.840  -4.840
   81   2HD   LYS  11          2HD       LYS  11   7.849  -3.953  -3.953
   82   1HE   LYS  11          1HE       LYS  11   5.406  -5.552  -5.552
   83   2HE   LYS  11          2HE       LYS  11   6.766  -6.544  -6.544
   84   1HZ   LYS  11          2HZ       LYS  11   8.075  -4.816  -4.816
   85   2HZ   LYS  11          3HZ       LYS  11   6.591  -4.777  -4.777
   86   3HZ   LYS  11          1HZ       LYS  11   7.404  -6.237  -6.237
   87    H    SER  12           H        SER  12   3.888  -1.701  -1.701
   88    HA   SER  12           HA       SER  12   3.985  -2.158  -2.158
   89   1HB   SER  12          2HB       SER  12   3.046  -4.473  -4.473
   90   2HB   SER  12          1HB       SER  12   4.612  -4.404  -4.404
   91    HG   SER  12           HG       SER  12   3.734  -4.888  -4.888
   92    H    GLY  13           H        GLY  13   2.891  -0.183  -0.183
   93   1HA   GLY  13          1HA       GLY  13   0.655   0.894   0.894
   94   2HA   GLY  13          2HA       GLY  13  -0.105  -0.710  -0.710
   95    H    CYS  14           H        CYS  14  -0.060   1.969   1.969
   96    HA   CYS  14           HA       CYS  14   0.598   1.150   1.150
   97   1HB   CYS  14          1HB       CYS  14   0.437   3.555   3.555
   98   2HB   CYS  14          2HB       CYS  14  -1.298   3.378   3.378
   99    H    SER  15           H        SER  15  -0.487   0.358   0.358
  100    HA   SER  15           HA       SER  15  -3.381  -0.296  -0.296
  101   1HB   SER  15          1HB       SER  15  -1.921  -2.061  -2.061
  102   2HB   SER  15          2HB       SER  15  -1.657  -2.828  -2.828
  103    HG   SER  15           HG       SER  15  -4.294  -2.069  -2.069
  104    H    VAL  16           H        VAL  16  -4.057   0.173   0.173
  105    HA   VAL  16           HA       VAL  16  -2.231  -0.069  -0.069
  106    HB   VAL  16           HB       VAL  16  -3.948   1.860   1.860
  107   1HG1  VAL  16          1HG1      VAL  16  -6.024  -0.062  -0.062
  108   2HG1  VAL  16          2HG1      VAL  16  -6.256   1.681   1.681
  109   3HG1  VAL  16          3HG1      VAL  16  -6.074   0.596   0.596
  110   1HG2  VAL  16          2HG2      VAL  16  -2.779   1.714   1.714
  111   2HG2  VAL  16          3HG2      VAL  16  -4.408   2.387   2.387
  112   3HG2  VAL  16          1HG2      VAL  16  -4.103   0.700   0.700
  113    H    ASN  17           H        ASN  17  -1.940  -1.733  -1.733
  114    HA   ASN  17           HA       ASN  17  -4.179  -3.776  -3.776
  115   1HB   ASN  17          1HB       ASN  17  -1.389  -4.043  -4.043
  116   2HB   ASN  17          2HB       ASN  17  -1.645  -4.078  -4.078
  117   1HD2  ASN  17          1HD2      ASN  17  -3.825  -7.152  -7.152
  118   2HD2  ASN  17          2HD2      ASN  17  -4.387  -5.435  -5.435
  119    H    TRP  18           H        TRP  18  -5.492  -2.088  -2.088
  120    HA   TRP  18           HA       TRP  18  -5.091  -0.688  -0.688
  121   1HB   TRP  18          2HB       TRP  18  -7.541  -1.901  -1.901
  122   2HB   TRP  18          1HB       TRP  18  -7.795  -1.309  -1.309
  123    HD1  TRP  18           HD1      TRP  18  -8.071  -0.167  -0.167
  124    HE1  TRP  18           HE1      TRP  18  -7.869   2.461   2.461
  125    HE3  TRP  18           HE3      TRP  18  -6.078   0.884   0.884
  126    HZ2  TRP  18           HZ2      TRP  18  -6.761   4.547   4.547
  127    HZ3  TRP  18           HZ3      TRP  18  -5.590   3.243   3.243
  128    HH2  TRP  18           HH2      TRP  18  -5.978   5.058   5.058
  129    H    GLY  19           H        GLY  19  -5.544  -4.120  -4.120
  130   1HA   GLY  19          1HA       GLY  19  -6.352  -4.508  -4.508
  131   2HA   GLY  19          2HA       GLY  19  -5.821  -5.778  -5.778
  132    H    GLU  20           H        GLU  20  -3.416  -5.060  -5.060
  133    HA   GLU  20           HA       GLU  20  -1.645  -5.635  -5.635
  134   1HB   GLU  20          1HB       GLU  20  -1.334  -4.367  -4.367
  135   2HB   GLU  20          2HB       GLU  20   0.042  -4.263  -4.263
  136   1HG   GLU  20          1HG       GLU  20  -1.094  -7.061  -7.061
  137   2HG   GLU  20          2HG       GLU  20  -0.520  -6.404  -6.404
  138    HE2  GLU  20           HE2      GLU  20   2.692  -7.148  -7.148
  139    H    ALA  21           H        ALA  21  -3.119  -2.696  -2.696
  140    HA   ALA  21           HA       ALA  21  -1.221  -0.968  -0.968
  141   1HB   ALA  21          2HB       ALA  21  -2.577  -0.070  -0.070
  142   2HB   ALA  21          3HB       ALA  21  -4.091  -0.436  -0.436
  143   3HB   ALA  21          1HB       ALA  21  -2.985   0.811   0.811
  144    H    PHE  22           H        PHE  22  -4.373  -2.459  -2.459
  145    HA   PHE  22           HA       PHE  22  -4.724  -1.474  -1.474
  146   1HB   PHE  22          1HB       PHE  22  -6.324  -2.924  -2.924
  147   2HB   PHE  22          2HB       PHE  22  -5.676  -4.272  -4.272
  148    HD1  PHE  22           HD2      PHE  22  -7.715  -1.142  -1.142
  149    HD2  PHE  22           HD1      PHE  22  -6.477  -4.841  -4.841
  150    HE1  PHE  22           HE2      PHE  22  -9.424  -0.867  -0.867
  151    HE2  PHE  22           HE1      PHE  22  -8.170  -4.550  -4.550
  152    HZ   PHE  22           HZ       PHE  22  -9.639  -2.556  -2.556
  153    H    SER  23           H        SER  23  -2.930  -4.108  -4.108
  154    HA   SER  23           HA       SER  23  -2.333  -5.388  -5.388
  155   1HB   SER  23          1HB       SER  23  -2.113  -6.879  -6.879
  156   2HB   SER  23          2HB       SER  23  -1.280  -5.722  -5.722
  157    HG   SER  23           HG       SER  23   0.541  -6.429  -6.429
  158    H    ALA  24           H        ALA  24  -0.806  -2.979  -2.979
  159    HA   ALA  24           HA       ALA  24   1.627  -2.717  -2.717
  160   1HB   ALA  24          2HB       ALA  24   1.345  -1.719  -1.719
  161   2HB   ALA  24          3HB       ALA  24   0.101  -0.602  -0.602
  162   3HB   ALA  24          1HB       ALA  24   1.788  -0.451  -0.451
  163    H    GLY  25           H        GLY  25  -1.592  -1.338  -1.338
  164   1HA   GLY  25          2HA       GLY  25  -0.923   0.353   0.353
  165   2HA   GLY  25          1HA       GLY  25  -2.558  -0.084  -0.084
  166    H    VAL  26           H        VAL  26  -1.919  -2.970  -2.970
  167    HA   VAL  26           HA       VAL  26  -2.545  -3.553  -3.553
  168    HB   VAL  26           HB       VAL  26  -1.498  -5.386  -5.386
  169   1HG1  VAL  26          1HG1      VAL  26  -2.990  -6.309  -6.309
  170   2HG1  VAL  26          2HG1      VAL  26  -2.583  -7.345  -7.345
  171   3HG1  VAL  26          3HG1      VAL  26  -1.296  -6.661  -6.661
  172   1HG2  VAL  26          2HG2      VAL  26  -3.698  -4.321  -4.321
  173   2HG2  VAL  26          3HG2      VAL  26  -3.851  -6.070  -6.070
  174   3HG2  VAL  26          1HG2      VAL  26  -4.461  -4.980  -4.980
  175    H    HIS  27           H        HIS  27   0.251  -4.243  -4.243
  176    HA   HIS  27           HA       HIS  27   2.093  -5.040  -5.040
  177   1HB   HIS  27          2HB       HIS  27   2.451  -3.141  -3.141
  178   2HB   HIS  27          1HB       HIS  27   3.852  -3.800  -3.800
  179    HD1  HIS  27           HD1      HIS  27   3.122  -4.548  -4.548
  180    HD2  HIS  27           HD2      HIS  27   2.255  -6.684  -6.684
  181    HE1  HIS  27           HE1      HIS  27   2.817  -6.987  -6.987
  182    HE2  HIS  27           HE2      HIS  27   2.291  -8.413  -8.413
  183    H    ARG  28           H        ARG  28   1.237  -1.721  -1.721
  184    HA   ARG  28           HA       ARG  28   2.927  -0.539  -0.539
  185   1HB   ARG  28          1HB       ARG  28   1.835   0.624   0.624
  186   2HB   ARG  28          2HB       ARG  28   0.323   0.629   0.629
  187   1HG   ARG  28          1HG       ARG  28   2.600   1.808   1.808
  188   2HG   ARG  28          2HG       ARG  28   2.355   2.632   2.632
  189   1HD   ARG  28          1HD       ARG  28  -0.227   2.663   2.663
  190   2HD   ARG  28          2HD       ARG  28   0.381   2.286   2.286
  191    HE   ARG  28           HE       ARG  28   2.046   4.393   4.393
  192   1HH1  ARG  28          2HH1      ARG  28  -1.336   4.033   4.033
  193   2HH1  ARG  28          1HH1      ARG  28  -1.531   5.828   5.828
  194   1HH2  ARG  28          1HH2      ARG  28   1.758   6.323   6.323
  195   2HH2  ARG  28          2HH2      ARG  28   0.147   7.078   7.078
  196    H    LEU  29           H        LEU  29  -0.422  -1.594  -1.594
  197    HA   LEU  29           HA       LEU  29  -1.186  -0.817  -0.817
  198   1HB   LEU  29          1HB       LEU  29  -3.140  -1.646  -1.646
  199   2HB   LEU  29          2HB       LEU  29  -2.297  -2.386  -2.386
  200    HG   LEU  29           HG       LEU  29  -1.847  -4.425  -4.425
  201   1HD1  LEU  29          2HD1      LEU  29  -2.342  -3.273  -3.273
  202   2HD1  LEU  29          3HD1      LEU  29  -4.038  -3.034  -3.034
  203   3HD1  LEU  29          1HD1      LEU  29  -3.400  -4.676  -4.676
  204   1HD2  LEU  29          2HD2      LEU  29  -4.762  -3.735  -3.735
  205   2HD2  LEU  29          3HD2      LEU  29  -3.548  -4.571  -4.571
  206   3HD2  LEU  29          1HD2      LEU  29  -4.183  -5.363  -5.363
  207    H    ALA  30           H        ALA  30   0.830  -3.405  -3.405
  208    HA   ALA  30           HA       ALA  30   0.907  -4.487  -4.487
  209   1HB   ALA  30          2HB       ALA  30   0.634  -6.132  -6.132
  210   2HB   ALA  30          3HB       ALA  30   2.142  -5.555  -5.555
  211   3HB   ALA  30          1HB       ALA  30   2.186  -6.403  -6.403
  212    H    ASN  31           H        ASN  31   1.809  -1.933  -1.933
  213    HA   ASN  31           HA       ASN  31   4.770  -2.354  -2.354
  214   1HB   ASN  31          1HB       ASN  31   4.330  -1.441  -1.441
  215   2HB   ASN  31          2HB       ASN  31   3.696   0.015   0.015
  216   1HD2  ASN  31          1HD2      ASN  31   7.487   0.068   0.068
  217   2HD2  ASN  31          2HD2      ASN  31   6.191  -0.920  -0.920
  218    H    GLY  32           H        GLY  32   2.460   0.335   0.335
  219   1HA   GLY  32          2HA       GLY  32   3.327   1.149   1.149
  220   2HA   GLY  32          1HA       GLY  32   2.540   2.223   2.223
  221    H    GLY  33           H        GLY  33   0.432   0.928   0.928
  222   1HA   GLY  33          1HA       GLY  33  -1.646  -0.219  -0.219
  223   2HA   GLY  33          2HA       GLY  33  -1.022  -0.412  -0.412
  224    H    ASN  34           H        ASN  34  -0.844   2.633   2.633
  225    HA   ASN  34           HA       ASN  34  -1.610   4.743   4.743
  226   1HB   ASN  34          1HB       ASN  34  -3.517   4.303   4.303
  227   2HB   ASN  34          2HB       ASN  34  -4.116   3.003   3.003
  228   1HD2  ASN  34          1HD2      ASN  34  -5.110   6.829   6.829
  229   2HD2  ASN  34          2HD2      ASN  34  -3.470   6.538   6.538
  230    H    GLY  35           H        GLY  35  -0.311   4.181   4.181
  231   1HA   GLY  35          1HA       GLY  35  -1.018   2.880   2.880
  232   2HA   GLY  35          2HA       GLY  35  -0.001   4.333   4.333
  233    H    PHE  36           H        PHE  36  -0.932   6.382   6.382
  234    HA   PHE  36           HA       PHE  36  -3.623   6.183   6.183
  235   1HB   PHE  36          1HB       PHE  36  -1.504   6.014   6.014
  236   2HB   PHE  36          2HB       PHE  36  -1.107   7.642   7.642
  237    HD1  PHE  36           HD2      PHE  36  -4.728   7.107   7.107
  238    HD2  PHE  36           HD1      PHE  36  -1.104   8.011   8.011
  239    HE1  PHE  36           HE2      PHE  36  -6.043   8.065   8.065
  240    HE2  PHE  36           HE1      PHE  36  -2.421   8.994   8.994
  241    HZ   PHE  36           HZ       PHE  36  -4.894   9.019   9.019
  242    H    TRP  37           H        TRP  37  -1.953   7.683   7.683
  243    HA   TRP  37           HA       TRP  37  -4.066   9.545   9.545
  244   1HB   TRP  37          2HB       TRP  37  -3.532  10.959  10.959
  245   2HB   TRP  37          1HB       TRP  37  -1.803  10.755  10.755
  246    HD1  TRP  37           HD1      TRP  37  -0.634  12.847  12.847
  247    HE1  TRP  37           HE1      TRP  37  -1.331  15.018  15.018
  248    HE3  TRP  37           HE3      TRP  37  -5.484  11.495  11.495
  249    HZ2  TRP  37           HZ2      TRP  37  -3.785  15.862  15.862
  250    HZ3  TRP  37           HZ3      TRP  37  -7.002  13.069  13.069
  251    HH2  TRP  37           HH2      TRP  37  -6.156  15.196  15.196
  252    HXT  TRP  37           HXT      TRP  37  -0.636  10.171  10.171

  Start of MODEL   18
    1   1H    LYS   1          2H        LYS   1   8.419   1.987   1.987
    2   2H    LYS   1          3H        LYS   1  10.009   2.102   2.102
    3   3H    LYS   1          1H        LYS   1   9.461   0.678   0.678
    4    HA   LYS   1           HA       LYS   1  10.650   1.594   1.594
    5   1HB   LYS   1          1HB       LYS   1  10.697   3.860   3.860
    6   2HB   LYS   1          2HB       LYS   1   9.340   4.343   4.343
    7   1HG   LYS   1          1HG       LYS   1  10.759   4.040   4.040
    8   2HG   LYS   1          2HG       LYS   1  12.096   3.442   3.442
    9   1HD   LYS   1          1HD       LYS   1  12.484   5.653   5.653
   10   2HD   LYS   1          2HD       LYS   1  10.877   6.233   6.233
   11   1HE   LYS   1          1HE       LYS   1  12.755   5.192   5.192
   12   2HE   LYS   1          2HE       LYS   1  13.052   6.810   6.810
   13   1HZ   LYS   1          1HZ       LYS   1  10.287   6.103   6.103
   14   2HZ   LYS   1          2HZ       LYS   1  11.372   6.437   6.437
   15   3HZ   LYS   1          3HZ       LYS   1  11.067   7.592   7.592
   16    H    TYR   2           H        TYR   2  10.064   1.394   1.394
   17    HA   TYR   2           HA       TYR   2   7.109   0.925   0.925
   18   1HB   TYR   2          1HB       TYR   2   9.312  -0.412  -0.412
   19   2HB   TYR   2          2HB       TYR   2   9.176   0.744   0.744
   20    HD1  TYR   2           HD1      TYR   2   6.820   0.945   0.945
   21    HD2  TYR   2           HD2      TYR   2   8.001  -2.399  -2.399
   22    HE1  TYR   2           HE1      TYR   2   5.138  -0.474  -0.474
   23    HE2  TYR   2           HE2      TYR   2   6.327  -3.803  -3.803
   24    HH   TYR   2           HH       TYR   2   4.952  -3.120  -3.120
   25    H    TYR   3           H        TYR   3   6.150   2.822   2.822
   26    HA   TYR   3           HA       TYR   3   7.009   5.038   5.038
   27   1HB   TYR   3          2HB       TYR   3   4.567   4.526   4.526
   28   2HB   TYR   3          1HB       TYR   3   4.452   5.769   5.769
   29    HD1  TYR   3           HD1      TYR   3   7.715   5.151   5.151
   30    HD2  TYR   3           HD2      TYR   3   4.098   7.474   7.474
   31    HE1  TYR   3           HE1      TYR   3   8.690   6.730   6.730
   32    HE2  TYR   3           HE2      TYR   3   5.081   9.041   9.041
   33    HH   TYR   3           HH       TYR   3   7.331   8.524   8.524
   34    H    GLY   4           H        GLY   4   5.163   6.041   6.041
   35   1HA   GLY   4          2HA       GLY   4   4.928   4.202   4.202
   36   2HA   GLY   4          1HA       GLY   4   4.230   5.831   5.831
   37    H    ASN   5           H        ASN   5   3.309   3.271   3.271
   38    HA   ASN   5           HA       ASN   5   1.212   2.153   2.153
   39   1HB   ASN   5          2HB       ASN   5   0.366   4.884   4.884
   40   2HB   ASN   5          1HB       ASN   5  -0.823   3.675   3.675
   41   1HD2  ASN   5          1HD2      ASN   5  -0.920   5.319   5.319
   42   2HD2  ASN   5          2HD2      ASN   5  -1.806   4.909   4.909
   43    H    GLY   6           H        GLY   6   2.197   0.738   0.738
   44   1HA   GLY   6          1HA       GLY   6   1.873  -0.725  -0.725
   45   2HA   GLY   6          2HA       GLY   6   0.150  -0.459  -0.459
   46    H    VAL   7           H        VAL   7   2.567   1.893   1.893
   47    HA   VAL   7           HA       VAL   7   1.002   1.915   1.915
   48    HB   VAL   7           HB       VAL   7   2.631   4.095   4.095
   49   1HG1  VAL   7          2HG2      VAL   7   3.123   4.163   4.163
   50   2HG1  VAL   7          3HG2      VAL   7   1.408   4.484   4.484
   51   3HG1  VAL   7          1HG2      VAL   7   2.390   5.649   5.649
   52   1HG2  VAL   7          3HG1      VAL   7   0.082   3.891   3.891
   53   2HG2  VAL   7          1HG1      VAL   7   0.642   5.497   5.497
   54   3HG2  VAL   7          2HG1      VAL   7  -0.256   4.430   4.430
   55    H    HIS   8           H        HIS   8   1.955   1.773   1.773
   56    HA   HIS   8           HA       HIS   8   4.969   1.598   1.598
   57   1HB   HIS   8          1HB       HIS   8   3.325  -0.726  -0.726
   58   2HB   HIS   8          2HB       HIS   8   4.978  -0.788  -0.788
   59    HD1  HIS   8           HD1      HIS   8   1.298  -0.615  -0.615
   60    HD2  HIS   8           HD2      HIS   8   5.390  -1.644  -1.644
   61    HE1  HIS   8           HE1      HIS   8   1.399  -1.788  -1.788
   62    HE2  HIS   8           HE2      HIS   8   3.846  -2.472  -2.472
   63    H    CYS   9           H        CYS   9   5.131   3.257   3.257
   64    HA   CYS   9           HA       CYS   9   3.670   3.150   3.150
   65   1HB   CYS   9          1HB       CYS   9   5.598   5.382   5.382
   66   2HB   CYS   9          2HB       CYS   9   4.231   5.498   5.498
   67    H    THR  10           H        THR  10   4.582   3.074   3.074
   68    HA   THR  10           HA       THR  10   7.509   2.174   2.174
   69    HB   THR  10           HB       THR  10   6.678   0.415   0.415
   70    HG1  THR  10           HG1      THR  10   4.604  -0.330  -0.330
   71   1HG2  THR  10          3HG2      THR  10   5.994  -0.148  -0.148
   72   2HG2  THR  10          1HG2      THR  10   6.171  -1.381  -1.381
   73   3HG2  THR  10          2HG2      THR  10   7.575  -0.444  -0.444
   74    H    LYS  11           H        LYS  11   7.068   4.591   4.591
   75    HA   LYS  11           HA       LYS  11   7.205   6.227   6.227
   76   1HB   LYS  11          1HB       LYS  11   8.993   5.831   5.831
   77   2HB   LYS  11          2HB       LYS  11   9.313   4.605   4.605
   78   1HG   LYS  11          1HG       LYS  11   9.191   2.965   2.965
   79   2HG   LYS  11          2HG       LYS  11   7.505   3.377   3.377
   80   1HD   LYS  11          1HD       LYS  11   9.005   3.413   3.413
   81   2HD   LYS  11          2HD       LYS  11   8.192   4.966   4.966
   82   1HE   LYS  11          1HE       LYS  11  10.305   5.715   5.715
   83   2HE   LYS  11          2HE       LYS  11  11.125   4.271   4.271
   84   1HZ   LYS  11          3HZ       LYS  11  10.108   5.206   5.206
   85   2HZ   LYS  11          1HZ       LYS  11  10.288   6.658   6.658
   86   3HZ   LYS  11          2HZ       LYS  11  11.617   5.655   5.655
   87    H    SER  12           H        SER  12   4.830   4.479   4.479
   88    HA   SER  12           HA       SER  12   3.908   5.451   5.451
   89   1HB   SER  12          2HB       SER  12   2.688   3.336   3.336
   90   2HB   SER  12          1HB       SER  12   4.409   3.029   3.029
   91    HG   SER  12           HG       SER  12   2.306   2.322   2.322
   92    H    GLY  13           H        GLY  13   3.678   6.204   6.204
   93   1HA   GLY  13          1HA       GLY  13   1.525   7.467   7.467
   94   2HA   GLY  13          2HA       GLY  13   0.595   6.054   6.054
   95    H    CYS  14           H        CYS  14   0.056   4.618   4.618
   96    HA   CYS  14           HA       CYS  14   1.873   3.461   3.461
   97   1HB   CYS  14          1HB       CYS  14   1.256   5.965   5.965
   98   2HB   CYS  14          2HB       CYS  14  -0.172   5.133   5.133
   99    H    SER  15           H        SER  15   0.969   1.957   1.957
  100    HA   SER  15           HA       SER  15  -1.808   1.060   1.060
  101   1HB   SER  15          1HB       SER  15   0.228  -1.150  -1.150
  102   2HB   SER  15          2HB       SER  15  -1.118  -1.002  -1.002
  103    HG   SER  15           HG       SER  15   1.433   0.272   0.272
  104    H    VAL  16           H        VAL  16  -2.111   2.086   2.086
  105    HA   VAL  16           HA       VAL  16  -0.910   1.136   1.136
  106    HB   VAL  16           HB       VAL  16  -2.467   3.186   3.186
  107   1HG1  VAL  16          1HG1      VAL  16  -4.801   1.189   1.189
  108   2HG1  VAL  16          2HG1      VAL  16  -4.927   2.965   2.965
  109   3HG1  VAL  16          3HG1      VAL  16  -4.512   2.172   2.172
  110   1HG2  VAL  16          2HG2      VAL  16  -1.765   2.503   2.503
  111   2HG2  VAL  16          3HG2      VAL  16  -3.370   3.241   3.241
  112   3HG2  VAL  16          1HG2      VAL  16  -3.211   1.473   1.473
  113    H    ASN  17           H        ASN  17  -0.813  -0.638  -0.638
  114    HA   ASN  17           HA       ASN  17  -3.025  -2.686  -2.686
  115   1HB   ASN  17          2HB       ASN  17  -0.271  -3.034  -3.034
  116   2HB   ASN  17          1HB       ASN  17  -0.708  -3.200  -3.200
  117   1HD2  ASN  17          1HD2      ASN  17  -0.895  -6.504  -6.504
  118   2HD2  ASN  17          2HD2      ASN  17   0.326  -5.123  -5.123
  119    H    TRP  18           H        TRP  18  -4.458  -1.106  -1.106
  120    HA   TRP  18           HA       TRP  18  -4.401  -0.217  -0.217
  121   1HB   TRP  18          1HB       TRP  18  -6.651  -1.003  -1.003
  122   2HB   TRP  18          2HB       TRP  18  -7.109  -0.632  -0.632
  123    HD1  TRP  18           HD1      TRP  18  -6.809   1.110   1.110
  124    HE1  TRP  18           HE1      TRP  18  -6.391   3.734   3.734
  125    HE3  TRP  18           HE3      TRP  18  -5.436   1.125   1.125
  126    HZ2  TRP  18           HZ2      TRP  18  -5.513   5.409   5.409
  127    HZ3  TRP  18           HZ3      TRP  18  -4.749   3.262   3.262
  128    HH2  TRP  18           HH2      TRP  18  -4.818   5.378   5.378
  129    H    GLY  19           H        GLY  19  -4.820  -3.484  -3.484
  130   1HA   GLY  19          1HA       GLY  19  -6.033  -4.438  -4.438
  131   2HA   GLY  19          2HA       GLY  19  -5.240  -5.455  -5.455
  132    H    GLU  20           H        GLU  20  -2.823  -4.546  -4.546
  133    HA   GLU  20           HA       GLU  20  -1.357  -5.315  -5.315
  134   1HB   GLU  20          1HB       GLU  20  -0.818  -4.456  -4.456
  135   2HB   GLU  20          2HB       GLU  20   0.082  -3.339  -3.339
  136   1HG   GLU  20          1HG       GLU  20   1.617  -5.000  -5.000
  137   2HG   GLU  20          2HG       GLU  20   0.466  -6.308  -6.308
  138    HE2  GLU  20           HE2      GLU  20   2.199  -7.403  -7.403
  139    H    ALA  21           H        ALA  21  -2.983  -2.419  -2.419
  140    HA   ALA  21           HA       ALA  21  -1.292  -0.776  -0.776
  141   1HB   ALA  21          2HB       ALA  21  -2.473   0.251   0.251
  142   2HB   ALA  21          3HB       ALA  21  -4.054  -0.228  -0.228
  143   3HB   ALA  21          1HB       ALA  21  -3.063   0.989   0.989
  144    H    PHE  22           H        PHE  22  -4.310  -2.552  -2.552
  145    HA   PHE  22           HA       PHE  22  -4.977  -1.720  -1.720
  146   1HB   PHE  22          1HB       PHE  22  -6.778  -2.623  -2.623
  147   2HB   PHE  22          2HB       PHE  22  -5.858  -4.045  -4.045
  148    HD1  PHE  22           HD2      PHE  22  -5.156  -5.532  -5.532
  149    HD2  PHE  22           HD1      PHE  22  -8.523  -2.880  -2.880
  150    HE1  PHE  22           HE2      PHE  22  -6.351  -6.823  -6.823
  151    HE2  PHE  22           HE1      PHE  22  -9.705  -4.170  -4.170
  152    HZ   PHE  22           HZ       PHE  22  -8.625  -6.144  -6.144
  153    H    SER  23           H        SER  23  -3.188  -4.324  -4.324
  154    HA   SER  23           HA       SER  23  -2.594  -5.644  -5.644
  155   1HB   SER  23          1HB       SER  23  -1.770  -6.035  -6.035
  156   2HB   SER  23          2HB       SER  23  -0.583  -6.570  -6.570
  157    HG   SER  23           HG       SER  23  -2.224  -7.876  -7.876
  158    H    ALA  24           H        ALA  24  -1.144  -3.207  -3.207
  159    HA   ALA  24           HA       ALA  24   1.343  -2.977  -2.977
  160   1HB   ALA  24          2HB       ALA  24   1.036  -1.997  -1.997
  161   2HB   ALA  24          3HB       ALA  24  -0.192  -0.866  -0.866
  162   3HB   ALA  24          1HB       ALA  24   1.503  -0.721  -0.721
  163    H    GLY  25           H        GLY  25  -1.896  -1.720  -1.720
  164   1HA   GLY  25          2HA       GLY  25  -1.160   0.099   0.099
  165   2HA   GLY  25          1HA       GLY  25  -2.811  -0.380  -0.380
  166    H    VAL  26           H        VAL  26  -2.246  -3.216  -3.216
  167    HA   VAL  26           HA       VAL  26  -2.664  -3.759  -3.759
  168    HB   VAL  26           HB       VAL  26  -1.775  -5.616  -5.616
  169   1HG1  VAL  26          1HG1      VAL  26  -3.011  -6.532  -6.532
  170   2HG1  VAL  26          2HG1      VAL  26  -2.714  -7.576  -7.576
  171   3HG1  VAL  26          3HG1      VAL  26  -1.355  -6.861  -6.861
  172   1HG2  VAL  26          2HG2      VAL  26  -4.042  -4.591  -4.591
  173   2HG2  VAL  26          3HG2      VAL  26  -4.144  -6.341  -6.341
  174   3HG2  VAL  26          1HG2      VAL  26  -4.655  -5.250  -5.250
  175    H    HIS  27           H        HIS  27  -0.006  -4.637  -4.637
  176    HA   HIS  27           HA       HIS  27   1.925  -5.303  -5.303
  177   1HB   HIS  27          1HB       HIS  27   2.237  -3.677  -3.677
  178   2HB   HIS  27          2HB       HIS  27   3.623  -4.356  -4.356
  179    HD1  HIS  27           HD1      HIS  27   1.213  -7.053  -7.053
  180    HD2  HIS  27           HD2      HIS  27   3.369  -5.298  -5.298
  181    HE1  HIS  27           HE1      HIS  27   1.413  -8.750  -8.750
  182    HE2  HIS  27           HE2      HIS  27   2.695  -7.802  -7.802
  183    H    ARG  28           H        ARG  28   1.030  -2.079  -2.079
  184    HA   ARG  28           HA       ARG  28   3.055  -0.790  -0.790
  185   1HB   ARG  28          1HB       ARG  28   2.525   1.009   1.009
  186   2HB   ARG  28          2HB       ARG  28   1.368  -0.005  -0.005
  187   1HG   ARG  28          1HG       ARG  28  -0.080   1.747   1.747
  188   2HG   ARG  28          2HG       ARG  28  -0.269   0.731   0.731
  189   1HD   ARG  28          1HD       ARG  28   0.151   3.085   3.085
  190   2HD   ARG  28          2HD       ARG  28   1.523   2.076   2.076
  191    HE   ARG  28           HE       ARG  28   2.149   2.952   2.952
  192   1HH1  ARG  28          2HH1      ARG  28   1.652   4.466   4.466
  193   2HH1  ARG  28          1HH1      ARG  28   2.764   5.877   5.877
  194   1HH2  ARG  28          1HH2      ARG  28   3.333   4.511   4.511
  195   2HH2  ARG  28          2HH2      ARG  28   3.680   5.907   5.907
  196    H    LEU  29           H        LEU  29  -0.299  -1.720  -1.720
  197    HA   LEU  29           HA       LEU  29  -0.926  -0.398  -0.398
  198   1HB   LEU  29          1HB       LEU  29  -2.890  -1.389  -1.389
  199   2HB   LEU  29          2HB       LEU  29  -2.081  -2.477  -2.477
  200    HG   LEU  29           HG       LEU  29  -1.847  -4.214  -4.214
  201   1HD1  LEU  29          3HD2      LEU  29  -1.435  -2.673  -2.673
  202   2HD1  LEU  29          1HD2      LEU  29  -3.170  -2.348  -2.348
  203   3HD1  LEU  29          2HD2      LEU  29  -2.569  -4.008  -4.008
  204   1HD2  LEU  29          2HD1      LEU  29  -4.059  -3.925  -3.925
  205   2HD2  LEU  29          3HD1      LEU  29  -4.258  -4.699  -4.699
  206   3HD2  LEU  29          1HD1      LEU  29  -4.675  -2.983  -2.983
  207    H    ALA  30           H        ALA  30   0.747  -3.420  -3.420
  208    HA   ALA  30           HA       ALA  30   1.336  -3.706  -3.706
  209   1HB   ALA  30          2HB       ALA  30   0.742  -5.737  -5.737
  210   2HB   ALA  30          3HB       ALA  30   2.122  -5.443  -5.443
  211   3HB   ALA  30          1HB       ALA  30   2.398  -5.876  -5.876
  212    H    ASN  31           H        ASN  31   3.745  -4.574  -4.574
  213    HA   ASN  31           HA       ASN  31   6.020  -3.850  -3.850
  214   1HB   ASN  31          1HB       ASN  31   5.099  -2.178  -2.178
  215   2HB   ASN  31          2HB       ASN  31   4.305  -1.304  -1.304
  216   1HD2  ASN  31          1HD2      ASN  31   8.299  -0.501  -0.501
  217   2HD2  ASN  31          2HD2      ASN  31   7.728  -2.247  -2.247
  218    H    GLY  32           H        GLY  32   5.077  -4.492  -4.492
  219   1HA   GLY  32          2HA       GLY  32   6.043  -4.393  -4.393
  220   2HA   GLY  32          1HA       GLY  32   7.152  -3.117  -3.117
  221    H    GLY  33           H        GLY  33   3.941  -3.896  -3.896
  222   1HA   GLY  33          2HA       GLY  33   3.103  -2.119  -2.119
  223   2HA   GLY  33          1HA       GLY  33   3.421  -0.887  -0.887
  224    H    ASN  34           H        ASN  34   1.312  -3.094  -3.094
  225    HA   ASN  34           HA       ASN  34  -0.594  -2.808  -2.808
  226   1HB   ASN  34          2HB       ASN  34   0.470  -5.244  -5.244
  227   2HB   ASN  34          1HB       ASN  34  -1.124  -5.137  -5.137
  228   1HD2  ASN  34          1HD2      ASN  34  -2.764  -5.775  -5.775
  229   2HD2  ASN  34          2HD2      ASN  34  -2.973  -4.825  -4.825
  230    H    GLY  35           H        GLY  35  -0.271  -1.010  -1.010
  231   1HA   GLY  35          2HA       GLY  35  -3.136  -1.203  -1.203
  232   2HA   GLY  35          1HA       GLY  35  -1.800  -0.698  -0.698
  233    H    PHE  36           H        PHE  36  -1.010   1.235   1.235
  234    HA   PHE  36           HA       PHE  36  -1.411   3.614   3.614
  235   1HB   PHE  36          1HB       PHE  36   0.541   3.057   3.057
  236   2HB   PHE  36          2HB       PHE  36  -0.512   2.612   2.612
  237    HD1  PHE  36           HD2      PHE  36  -1.478   5.639   5.639
  238    HD2  PHE  36           HD1      PHE  36   0.868   4.195   4.195
  239    HE1  PHE  36           HE2      PHE  36  -1.294   7.933   7.933
  240    HE2  PHE  36           HE1      PHE  36   1.022   6.484   6.484
  241    HZ   PHE  36           HZ       PHE  36  -0.067   8.357   8.357
  242    H    TRP  37           H        TRP  37  -3.716   3.402   3.402
  243    HA   TRP  37           HA       TRP  37  -5.474   3.386   3.386
  244   1HB   TRP  37          2HB       TRP  37  -7.302   3.573   3.573
  245   2HB   TRP  37          1HB       TRP  37  -6.098   2.611   2.611
  246    HD1  TRP  37           HD1      TRP  37  -4.215   5.267   5.267
  247    HE1  TRP  37           HE1      TRP  37  -5.009   6.850   6.850
  248    HE3  TRP  37           HE3      TRP  37  -9.126   3.922   3.922
  249    HZ2  TRP  37           HZ2      TRP  37  -7.530   7.264   7.264
  250    HZ3  TRP  37           HZ3      TRP  37 -10.684   4.882   4.882
  251    HH2  TRP  37           HH2      TRP  37  -9.915   6.578   6.578
  252    HXT  TRP  37           HXT      TRP  37  -6.311   6.727   6.727