*HEADER   CALCIUM-BINDING PROTEIN                 02-APR-96   1PON    
*TITLE    SITE III - SITE IV TROPONIN C HETERODIMER, NMR              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TROPONIN C;                                      
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 FRAGMENT: SITE III AND IV;                                 
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE  4 ORGANISM_COMMON: CHICKEN                                   
*KEYWDS   EF-HAND, MUSCLE PROTEIN, CALCIUM-BINDING PROTEIN            
*EXPDTA   NMR, 42 STRUCTURES                                          
*AUTHOR   G.S.SHAW,B.D.SYKES                                          
*REVDAT  1   08-NOV-96 1PON    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:LYS+_2:CA        S
1:SER_3:CA         S
1:GLU-_4:CA        S
1:GLU-_5:CA        S
1:GLU-_6:CA        S
1:LEU_7:CA         S
1:ALA_8:CA         S
1:ASN_9:CA         S
1:ALA_10:CA        S
1:PHE_11:CA        S
1:ARG+_12:CA       S
1:ILE_13:CA        S
1:ILE_13:CB        S
1:PHE_14:CA        S
1:ASP-_15:CA       S
1:LYS+_16:CA       S
1:ASN_17:CA        S
1:ALA_18:CA        S
1:ASP-_19:CA       S
1:TYR_21:CA        S
1:ILE_22:CA        S
1:ILE_22:CB        S
1:ASP-_23:CA       S
1:ILE_24:CA        S
1:ILE_24:CB        S
1:GLU-_25:CA       S
1:GLU-_26:CA       S
1:LEU_27:CA        S
1:GLU-_29:CA       S
1:ILE_30:CA        S
1:ILE_30:CB        S
1:LEU_31:CA        S
1:ARG+_32:CA       S
1:ALA_33:CA        S
1:THR_34:CA        S
1:THR_34:CB        R
1:VAL_38:CA        S
1:THR_39:CA        S
1:THR_39:CB        R
1:GLU-_40:CA       S
1:GLU-_41:CA       S
1:ASP-_42:CA       S
1:ILE_43:CA        S
1:ILE_43:CB        S
1:GLU-_44:CA       S
1:ASP-_45:CA       S
1:LEU_46:CA       S
1:MET_47:CA       S
1:LYS+_48:CA      S
1:ASP-_49:CA      S
1:SER_50:CA       S
1:ASP-_51:CA      S
1:LYS+_52:CA      S
1:ASN_53:CA       S
1:ASN_54:CA       S
1:ASP-_55:CA      S
1:ARG+_57:CA      S
1:ILE_58:CA       S
1:ILE_58:CB       S
1:ASP-_59:CA      S
1:PHE_60:CA       S
1:ASP-_61:CA      S
1:GLU-_62:CA      S
1:PHE_63:CA       S
1:LEU_64:CA       S
1:LYS+_65:CA      S
1:MET_66:CA       S
1:MET_67:CA       S
1:GLU-_68:CA      S
1:VAL_70:CA       S
1:GLN_71:CA       S
!
#NMR_dihedral
!sidechains
1:LEU_7:N         1:LEU_7:CA        1:LEU_7:CB        1:LEU_7:CG        -90.000   -30.000 30.00 30.00 1000.000
1:ASN_9:N         1:ASN_9:CA        1:ASN_9:CB        1:ASN_9:CG        -90.000   -30.000 30.00 30.00 1000.000
1:PHE_11:N        1:PHE_11:CA       1:PHE_11:CB       1:PHE_11:CG       150.000  -150.000 30.00 30.00 1000.000
1:ILE_13:N        1:ILE_13:CA       1:ILE_13:CB       1:ILE_13:CG1      -90.000   -30.000 30.00 30.00 1000.000
1:PHE_14:N        1:PHE_14:CA       1:PHE_14:CB       1:PHE_14:CG       -90.000   -30.000 30.00 30.00 1000.000
1:ASP-_15:N       1:ASP-_15:CA      1:ASP-_15:CB      1:ASP-_15:CG      150.000  -150.000 30.00 30.00 1000.000
1:ILE_22:N        1:ILE_22:CA       1:ILE_22:CB       1:ILE_22:CG1      -90.000   -30.000 30.00 30.00 1000.000
1:ASP-_23:N       1:ASP-_23:CA      1:ASP-_23:CB      1:ASP-_23:CG       30.000    90.000 30.00 30.00 1000.000
1:LEU_31:N        1:LEU_31:CA       1:LEU_31:CB       1:LEU_31:CG       150.000   -30.000 30.00 30.00 1000.000
1:ASP-_42:N       1:ASP-_42:CA      1:ASP-_42:CB      1:ASP-_42:CG      -90.000   -30.000 30.00 30.00 1000.000
1:ILE_43:N        1:ILE_43:CA       1:ILE_43:CB       1:ILE_43:CG1      -90.000   -30.000 30.00 30.00 1000.000
1:ASP-_45:N       1:ASP-_45:CA      1:ASP-_45:CB      1:ASP-_45:CG      -90.000   -30.000 30.00 30.00 1000.000
1:LEU_46:N        1:LEU_46:CA       1:LEU_46:CB       1:LEU_46:CG       150.000  -150.000 30.00 30.00 1000.000
1:ASP-_49:N       1:ASP-_49:CA      1:ASP-_49:CB      1:ASP-_49:CG      150.000  -150.000 30.00 30.00 1000.000
1:ASP-_51:N       1:ASP-_51:CA      1:ASP-_51:CB      1:ASP-_51:CG      150.000  -150.000 30.00 30.00 1000.000
1:ASN_53:N        1:ASN_53:CA       1:ASN_53:CB       1:ASN_53:CG        30.000    90.000 30.00 30.00 1000.000
1:ASN_54:N        1:ASN_54:CA       1:ASN_54:CB       1:ASN_54:CG       -90.000   -30.000 30.00 30.00 1000.000
1:ILE_58:N        1:ILE_58:CA       1:ILE_58:CB       1:ILE_58:CG1      -90.000   -30.000 30.00 30.00 1000.000
1:ASP-_59:N       1:ASP-_59:CA      1:ASP-_59:CB      1:ASP-_59:CG       30.000    90.000 30.00 30.00 1000.000
1:ASP-_61:N       1:ASP-_61:CA      1:ASP-_61:CB      1:ASP-_61:CG      150.000   -30.000 30.00 30.00 1000.000
1:PHE_60:N        1:PHE_60:CA       1:PHE_60:CB       1:PHE_60:CG       150.000  -150.000 30.00 30.00 1000.000
1:PHE_63:N        1:PHE_63:CA       1:PHE_63:CB       1:PHE_63:CG       150.000  -150.000 30.00 30.00 1000.000
1:LEU_64:N        1:LEU_64:CA       1:LEU_64:CB       1:LEU_64:CG       -90.000   -30.000 30.00 30.00 1000.000
!backbone
1:LYS+_2:C         1:SER_3:N        1:SER_3:CA        1:SER_3:C        -180.000     0.000 30.00 30.00 1000.000
1:SER_3:C          1:GLU-_4:N       1:GLU-_4:CA       1:GLU-_4:C       -180.000     0.000 30.00 30.00 1000.000
1:GLU-_4:C         1:GLU-_5:N       1:GLU-_5:CA       1:GLU-_5:C       -180.000     0.000 30.00 30.00 1000.000
1:GLU-_5:C         1:GLU-_6:N       1:GLU-_6:CA       1:GLU-_6:C       -180.000     0.000 30.00 30.00 1000.000
1:GLU-_6:C         1:LEU_7:N        1:LEU_7:CA        1:LEU_7:C        -180.000     0.000 30.00 30.00 1000.000
1:LEU_7:C          1:ALA_8:N        1:ALA_8:CA        1:ALA_8:C        -180.000     0.000 30.00 30.00 1000.000
1:ALA_8:C          1:ASN_9:N        1:ASN_9:CA        1:ASN_9:C        -180.000     0.000 30.00 30.00 1000.000
1:ASN_9:C         1:ALA_10:N        1:ALA_10:CA       1:ALA_10:C        -90.000   -40.000 30.00 30.00 1000.000
1:ALA_10:C        1:PHE_11:N        1:PHE_11:CA       1:PHE_11:C        -90.000   -40.000 30.00 30.00 1000.000
1:PHE_11:C        1:ARG+_12:N       1:ARG+_12:CA      1:ARG+_12:C      -180.000     0.000 30.00 30.00 1000.000
1:ARG+_12:C       1:ILE_13:N        1:ILE_13:CA       1:ILE_13:C        -90.000   -40.000 30.00 30.00 1000.000
1:ILE_13:C        1:PHE_14:N        1:PHE_14:CA       1:PHE_14:C       -180.000     0.000 30.00 30.00 1000.000
1:PHE_14:C        1:ASP-_15:N       1:ASP-_15:CA      1:ASP-_15:C       -90.000   -40.000 30.00 30.00 1000.000
1:ASP-_15:C       1:LYS+_16:N       1:LYS+_16:CA      1:LYS+_16:C      -180.000     0.000 30.00 30.00 1000.000
1:LYS+_16:C       1:ASN_17:N        1:ASN_17:CA       1:ASN_17:C       -180.000     0.000 30.00 30.00 1000.000
1:ASN_17:C        1:ALA_18:N        1:ALA_18:CA       1:ALA_18:C         40.000    90.000 30.00 30.00 1000.000
1:ALA_18:C        1:ASP-_19:N       1:ASP-_19:CA      1:ASP-_19:C      -180.000     0.000 30.00 30.00 1000.000
1:GLY_20:C        1:TYR_21:N        1:TYR_21:CA       1:TYR_21:C       -140.000   -80.000 30.00 30.00 1000.000
1:TYR_21:C        1:ILE_22:N        1:ILE_22:CA       1:ILE_22:C       -140.000   -80.000 30.00 30.00 1000.000
1:ILE_22:C        1:ASP-_23:N       1:ASP-_23:CA      1:ASP-_23:C      -140.000   -80.000 30.00 30.00 1000.000
1:ASP-_23:C       1:ILE_24:N        1:ILE_24:CA       1:ILE_24:C        -90.000   -40.000 30.00 30.00 1000.000
1:ILE_24:C        1:GLU-_25:N       1:GLU-_25:CA      1:GLU-_25:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_25:C       1:GLU-_26:N       1:GLU-_26:CA      1:GLU-_26:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_26:C       1:LEU_27:N        1:LEU_27:CA       1:LEU_27:C       -180.000     0.000 30.00 30.00 1000.000
1:GLY_28:C        1:GLU-_29:N       1:GLU-_29:CA      1:GLU-_29:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_29:C       1:ILE_30:N        1:ILE_30:CA       1:ILE_30:C       -180.000     0.000 30.00 30.00 1000.000
1:ILE_30:C        1:LEU_31:N        1:LEU_31:CA       1:LEU_31:C        -90.000   -40.000 30.00 30.00 1000.000
1:LEU_31:C        1:ARG+_32:N       1:ARG+_32:CA      1:ARG+_32:C      -180.000     0.000 30.00 30.00 1000.000
1:ARG+_32:C       1:ALA_33:N        1:ALA_33:CA       1:ALA_33:C       -180.000     0.000 30.00 30.00 1000.000
1:ALA_33:C        1:THR_34:N        1:THR_34:CA       1:THR_34:C       -180.000     0.000 30.00 30.00 1000.000
1:VAL_38:C        1:THR_39:N        1:THR_39:CA       1:THR_39:C       -180.000     0.000 30.00 30.00 1000.000
1:THR_39:C        1:GLU-_40:N       1:GLU-_40:CA      1:GLU-_40:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_40:C       1:GLU-_41:N       1:GLU-_41:CA      1:GLU-_41:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_41:C       1:ASP-_42:N       1:ASP-_42:CA      1:ASP-_42:C      -180.000     0.000 30.00 30.00 1000.000
1:ASP-_42:C       1:ILE_43:N        1:ILE_43:CA       1:ILE_43:C        -90.000   -40.000 30.00 30.00 1000.000
1:ILE_43:C        1:GLU-_44:N       1:GLU-_44:CA      1:GLU-_44:C       -90.000   -40.000 30.00 30.00 1000.000
1:GLU-_44:C       1:ASP-_45:N       1:ASP-_45:CA      1:ASP-_45:C       -90.000   -40.000 30.00 30.00 1000.000
1:ASP-_45:C       1:LEU_46:N        1:LEU_46:CA       1:LEU_46:C        -90.000   -40.000 30.00 30.00 1000.000
1:LEU_46:C        1:MET_47:N        1:MET_47:CA       1:MET_47:C       -180.000     0.000 30.00 30.00 1000.000
1:MET_47:C        1:LYS+_48:N       1:LYS+_48:CA      1:LYS+_48:C      -180.000     0.000 30.00 30.00 1000.000
1:LYS+_48:C       1:ASP-_49:N       1:ASP-_49:CA      1:ASP-_49:C       -90.000   -40.000 30.00 30.00 1000.000
1:ASP-_49:C       1:SER_50:N        1:SER_50:CA       1:SER_50:C       -180.000     0.000 30.00 30.00 1000.000
1:SER_50:C        1:ASP-_51:N       1:ASP-_51:CA      1:ASP-_51:C       -90.000   -40.000 30.00 30.00 1000.000
1:ASP-_51:C       1:LYS+_52:N       1:LYS+_52:CA      1:LYS+_52:C      -180.000     0.000 30.00 30.00 1000.000
1:LYS+_52:C       1:ASN_53:N        1:ASN_53:CA       1:ASN_53:C        -90.000   -40.000 30.00 30.00 1000.000
1:ASN_53:C        1:ASN_54:N        1:ASN_54:CA       1:ASN_54:C         40.000    90.000 30.00 30.00 1000.000
1:ASN_54:C        1:ASP-_55:N       1:ASP-_55:CA      1:ASP-_55:C      -180.000     0.000 30.00 30.00 1000.000
1:GLY_56:C        1:ARG+_57:N       1:ARG+_57:CA      1:ARG+_57:C      -180.000     0.000 30.00 30.00 1000.000
1:ARG+_57:C       1:ILE_58:N        1:ILE_58:CA       1:ILE_58:C       -140.000   -80.000 30.00 30.00 1000.000
1:ILE_58:C        1:ASP-_59:N       1:ASP-_59:CA      1:ASP-_59:C      -140.000   -80.000 30.00 30.00 1000.000
1:ASP-_59:C       1:PHE_60:N        1:PHE_60:CA       1:PHE_60:C        -90.000   -40.000 30.00 30.00 1000.000
1:PHE_60:C        1:ASP-_61:N       1:ASP-_61:CA      1:ASP-_61:C       -90.000   -40.000 30.00 30.00 1000.000
1:ASP-_61:C       1:GLU-_62:N       1:GLU-_62:CA      1:GLU-_62:C      -180.000     0.000 30.00 30.00 1000.000
1:GLU-_62:C       1:PHE_63:N        1:PHE_63:CA       1:PHE_63:C       -180.000     0.000 30.00 30.00 1000.000
1:PHE_63:C        1:LEU_64:N        1:LEU_64:CA       1:LEU_64:C        -90.000   -40.000 30.00 30.00 1000.000
1:LEU_64:C        1:LYS+_65:N       1:LYS+_65:CA      1:LYS+_65:C      -180.000     0.000 30.00 30.00 1000.000
1:LYS+_65:C       1:MET_66:N        1:MET_66:CA       1:MET_66:C       -180.000     0.000 30.00 30.00 1000.000
1:MET_66:C        1:MET_67:N        1:MET_67:CA       1:MET_67:C       -180.000     0.000 30.00 30.00 1000.000
1:MET_67:C        1:GLU-_68:N       1:GLU-_68:CA      1:GLU-_68:C      -180.000     0.000 30.00 30.00 1000.000
1:GLY_69:C        1:VAL_70:N        1:VAL_70:CA       1:VAL_70:C       -180.000     0.000 30.00 30.00 1000.000
1:VAL_70:C        1:GLN_71:N        1:GLN_71:CA       1:GLN_71:C       -180.000     0.000 30.00 30.00 1000.000
!
#distance
1:GLU-_4:O         1:ALA_8:N          2.700  3.300 10.00 10.00 1000.000
1:GLU-_4:O         1:ALA_8:HN         1.800  2.500 10.00 10.00 1000.000
1:GLU-_5:O         1:ASN_9:N          2.700  3.300 10.00 10.00 1000.000
1:GLU-_5:O         1:ASN_9:HN         1.800  2.500 10.00 10.00 1000.000
1:GLU-_6:O         1:ALA_10:N         2.700  3.300 10.00 10.00 1000.000
1:GLU-_6:O         1:ALA_10:HN        1.800  2.500 10.00 10.00 1000.000
1:LEU_7:O          1:PHE_11:N         2.700  3.300 10.00 10.00 1000.000
1:LEU_7:O          1:PHE_11:HN        1.800  2.500 10.00 10.00 1000.000
1:ALA_8:O          1:ARG+_12:N        2.700  3.300 10.00 10.00 1000.000
1:ALA_8:O          1:ARG+_12:HN       1.800  2.500 10.00 10.00 1000.000
1:ASN_9:O          1:ILE_13:N         2.700  3.300 10.00 10.00 1000.000
1:ASN_9:O          1:ILE_13:HN        1.800  2.500 10.00 10.00 1000.000
1:ALA_10:O         1:PHE_14:N         2.700  3.300 10.00 10.00 1000.000
1:ALA_10:O         1:PHE_14:HN        1.800  2.500 10.00 10.00 1000.000
1:GLU-_26:O        1:ILE_30:N         2.700  3.300 10.00 10.00 1000.000
1:GLU-_26:O        1:ILE_30:HN        1.800  2.500 10.00 10.00 1000.000
1:LEU_27:O         1:LEU_31:N         2.700  3.300 10.00 10.00 1000.000
1:LEU_27:O         1:LEU_31:HN        1.800  2.500 10.00 10.00 1000.000
1:GLY_28:O         1:ARG+_32:N        2.700  3.300 10.00 10.00 1000.000
1:GLY_28:O         1:ARG+_32:HN       1.800  2.500 10.00 10.00 1000.000
1:GLU-_29:O        1:ALA_33:N         1.700  3.300 10.00 10.00 1000.000
1:GLU-_29:O        1:ALA_33:HN        1.800  2.500 10.00 10.00 1000.000
1:GLU-_40:O        1:GLU-_44:N        2.700  3.300 10.00 10.00 1000.000
1:GLU-_40:O        1:GLU-_44:HN       1.800  2.500 10.00 10.00 1000.000
1:GLU-_41:O        1:ASP-_45:N        2.700  3.300 10.00 10.00 1000.000
1:GLU-_41:O        1:ASP-_45:HN       1.800  2.500 10.00 10.00 1000.000
1:ASP-_42:O        1:LEU_46:N        2.700  3.300 10.00 10.00 1000.000
1:ASP-_42:O        1:LEU_46:HN       1.800  2.500 10.00 10.00 1000.000
1:ILE_43:O         1:MET_47:N        2.700  3.300 10.00 10.00 1000.000
1:ILE_43:O         1:MET_47:HN       1.800  2.500 10.00 10.00 1000.000
1:GLU-_44:O        1:LYS+_48:N       2.700  3.300 10.00 10.00 1000.000
1:GLU-_44:O        1:LYS+_48:HN      1.800  2.500 10.00 10.00 1000.000
1:ASP-_45:O        1:ASP-_49:N       2.700  3.300 10.00 10.00 1000.000
1:ASP-_45:O        1:ASP-_49:HN      1.800  2.500 10.00 10.00 1000.000
1:LEU_46:O        1:SER_50:N        2.700  3.300 10.00 10.00 1000.000
1:LEU_46:O        1:SER_50:HN       1.800  2.500 10.00 10.00 1000.000
1:PHE_60:O        1:PHE_63:N        2.700  3.300 10.00 10.00 1000.000
1:PHE_60:O        1:PHE_63:HN       1.800  2.500 10.00 10.00 1000.000
1:GLU-_62:O       1:MET_66:N        2.700  3.300 10.00 10.00 1000.000
1:GLU-_62:O       1:MET_66:HN       1.800  2.500 10.00 10.00 1000.000
1:PHE_63:O        1:MET_67:N        2.700  3.300 10.00 10.00 1000.000
1:PHE_63:O        1:MET_67:HN       1.800  2.500 10.00 10.00 1000.000
1:LEU_64:O        1:GLU-_68:N       2.700  3.300 10.00 10.00 1000.000
1:LEU_64:O        1:GLU-_68:HN      1.800  2.500 10.00 10.00 1000.000
1:LYS+_65:O       1:GLY_69:N        2.700  3.300 10.00 10.00 1000.000
1:LYS+_65:O       1:GLY_69:HN       1.800  2.500 10.00 10.00 1000.000
1:ILE_22:O         1:ILE_58:N        2.700  3.300 10.00 10.00 1000.000
1:ILE_22:O         1:ILE_58:HN       1.800  2.500 10.00 10.00 1000.000
1:ILE_58:O        1:ILE_22:N         2.700  3.300 10.00 10.00 1000.000
1:ILE_58:O        1:ILE_22:HN        1.800  2.500 10.00 10.00 1000.000
!
#NOE_distance
!50ms mixing time
1:ILE_58:HA       1:ILE_58:HD1*     -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA       1:ILE_58:HG12     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA       1:ILE_58:HG2*     -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA       1:ILE_58:HG11     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:ILE_22:HD1*      -1.000  6.600  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:ILE_22:HD1*      -1.000  6.600  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:ILE_22:HG12      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:ILE_22:HG11      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:ILE_22:HD1*      -1.000  6.600  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:LEU_64:HD1*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:LEU_64:HD2*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:LEU_64:HG       -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:MET_66:HE*      -1.000  6.100  2.500 10.00 10.00 1000.000  0.00
1:PHE_14:HD1,HE1,HE2,HD2  1:ILE_22:HD1*   -1.000  7.000  3.000 10.000 10.000 1000.0 0.0
1:PHE_14:HD1,HE1,HE2,HD2  1:ILE_30:HG2*   -1.000  8.000  4.000 10.000 10.000 1000.0 0.0
1:PHE_14:HZ       1:ILE_30:HG2*     -1.000  4.600  3.000 10.000 10.000 1000.0 0.0
1:PHE_60:HE*      1:LEU_64:HD1*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HE*      1:LEU_64:HD2*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HZ       1:LEU_64:HD1*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HZ       1:LEU_64:HD2*     -1.000  9.700  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HZ       1:ALA_8:HB*        -1.000  5.600  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HE*      1:ALA_8:HB*        -1.000  6.600  3.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HN      1:LYS+_65:HG*     -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBR      1:LYS+_65:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HN      1:LYS+_65:HB1     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_65:HN      1:LYS+_65:HB2     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:PHE_60:HE*      1:LEU_7:HBS        -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HZ        1:ALA_10:HB*        -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:ILE_30:HN        1:ILE_30:HG11      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ILE_30:HN        1:ILE_30:HG12      -1.000  4.300  0.000 10.00 10.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HG11      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HE*       1:MET_67:HE1*      -1.000  5.700  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HE*       1:LEU_7:HBS        -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_30:HN        1:ILE_30:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HB1      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HB2      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:ILE_43:HD1*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00 
1:ILE_43:HN        1:ILE_43:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00 
1:VAL_70:HN        1:VAL_70:HG*       -1.000  7.700  3.000 10.00 10.00 1000.000  0.00 
1:LYS+_16:HN       1:LYS+_16:HG*      -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:MET_67:HG1       1:GLU-_68:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:MET_67:HG2       1:GLU-_68:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:ILE_43:HG11      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:ILE_43:HG12      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_16:HN       1:LYS+_16:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:ILE_43:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_14:HN        1:ILE_13:HG2*    -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_31:HN        1:ILE_30:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HN      1:ARG+_57:HG1     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HN      1:ARG+_57:HG2     -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HN      1:ARG+_57:HB1     -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HN      1:ARG+_57:HB2     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_46:HN       1:LEU_46:HBR      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_13:HB        1:PHE_14:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_46:HN       1:LEU_46:HBS      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_30:HB        1:LEU_31:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:GLU-_25:HN       1:ILE_24:HG2*      -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:THR_34:HN        1:THR_34:HG2*      -1.000  5.600  4.000 10.00 10.00 1000.000  0.00
1:ALA_18:HN        1:ALA_18:HB*       -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:ALA_8:HB*        1:ASN_9:HN         -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:LEU_31:HB1       1:LEU_31:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LEU_31:HB2       1:LEU_31:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ASP-_15:HN       1:ASP-_15:HBR      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_31:HG        1:LEU_31:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_33:HB*       1:THR_34:HN        -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:LYS+_52:HN      1:LYS+_52:HD1     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_52:HN      1:LYS+_52:HD2     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_52:HN      1:LYS+_52:HG1     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HN      1:LYS+_52:HG2     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:MET_67:HN        1:MET_67:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:MET_67:HN        1:MET_67:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ALA_10:HN        1:ALA_10:HB*       -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:VAL_38:HN        1:VAL_38:HG*       -1.000  6.700  2.500 10.00 10.00 1000.000  0.00
1:GLN_71:HN       1:VAL_70:HG*      -1.000  6.700  2.500 10.00 10.00 1000.000  0.00
1:MET_66:HN        1:ILE_58:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HB        1:GLU-_25:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_27:HB1       1:GLY_28:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LEU_27:HB2       1:GLY_28:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_48:HB1     1:ASP-_49:HN      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_48:HB2     1:ASP-_49:HN      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_65:HB1     1:MET_66:HN       -1.000  4.800  2.500 10.00 10.00 1000.000  0.00
1:LYS+_65:HB2     1:MET_66:HN       -1.000  4.800  2.500 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HB1     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HB2     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HD1     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HD2     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HG1     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HG2     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HD1*     -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HD2*     -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HG       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HBR      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HBS      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HN        1:LYS+_2:HB2       -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HN        1:LYS+_2:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HD1*       -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HD2*       -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:MET_47:HN        1:LEU_27:HD1*       -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:MET_47:HN        1:LEU_27:HD2*       -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:ILE_24:HN        1:ILE_24:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HBR        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HBS        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_10:HB*       1:PHE_11:HN        -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HG         -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:LEU_46:HBS      1:MET_47:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_24:HN        1:ILE_24:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_8:HN         1:ALA_8:HB*        -1.000  4.100  2.500 10.00 10.00 1000.000  0.00
1:ALA_8:HN         1:LEU_7:HD1*        -1.000  8.700  4.000 10.00 10.00 1000.000  0.00
1:ALA_8:HN         1:LEU_7:HD2*        -1.000  8.700  4.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:LEU_27:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:LEU_27:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HN       1:ILE_58:HG2*      -1.000  5.600  4.000 10.00 10.00 1000.000  0.00
1:VAL_38:HG*       1:THR_39:HN        -1.000  7.700  3.000 10.00 10.00 1000.000  0.00
1:THR_39:HN        1:THR_39:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_27:HN        1:LEU_27:HB2       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_27:HN        1:LEU_27:HG         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_27:HN        1:LEU_27:HB1       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_58:HG2*     1:ASP-_59:HN      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG2*     1:PHE_63:HN      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ILE_58:HG2*     -1.000  5.600  4.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ARG+_57:HB2     -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ARG+_57:HB1     -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ILE_58:HG11     -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ILE_58:HG12     -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:MET_47:HE*      -1.000  5.100  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_22:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_22:HG11      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_22:HG12      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ILE_22:HB        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA       1:ILE_58:HB       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HA        1:TYR_21:HB1       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HA        1:TYR_21:HB2       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ILE_58:HA        1:MET_47:HE*       -1.000  5.600  4.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HA      1:ASP-_59:HBR     -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_59:HA      1:ASP-_59:HBS     -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_11:HBS       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_11:HBR       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_11:HA        -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_63:HBR      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_60:HBS      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_60:HBR      -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_11:HBS       -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_11:HBR       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_60:HA       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:ARG+_57:HG1       -1.000  7.800  0.000 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:ARG+_57:HG2       -1.000  7.800  4.000 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:TYR_21:HB1       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:TYR_21:HB2       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:ASP-_59:HBR     -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HE*       1:ASP-_59:HBR     -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_60:HBS      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_63:HBS      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:GLY_20:HA1       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:GLY_20:HA2       -1.000  6.800  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_60:HA       -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HBS       1:PHE_63:HD*      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:PHE_63:HBS      -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:PHE_63:HBR      -1.000  4.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:LEU_64:HA       -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD1,HE1,HE2,HD2 1:PHE_14:HBR        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD1,HE1,HE2,HD2 1:PHE_14:HBS        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:GLU-_68:HN       1:GLU-_68:HB2      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_68:HN       1:GLU-_68:HB1      -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_70:HN       1:VAL_70:HB       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HB1      1:ILE_30:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HB2      1:ILE_30:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HN       1:GLU-_29:HB2      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HN       1:GLU-_29:HB1      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HN       1:GLU-_29:HG2      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HN       1:GLU-_29:HG1      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HBR       1:ARG+_12:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_54:HD21       1:ASN_54:HBR      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_54:HD22       1:ASN_54:HBR      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HBS       1:ARG+_12:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_30:HN        1:ILE_30:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_13:HN        1:ILE_13:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB1      1:ASP-_42:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HB2      1:ASP-_42:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HN        1:PHE_14:HBR       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_54:HN       1:ASN_54:HBS      -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_45:HBS      1:LEU_46:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HBS      1:SER_50:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HBR      1:SER_50:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HN       1:ASP-_15:HBS      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_14:HBR       1:ASP-_15:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HN      1:ASP-_61:HB2     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HN      1:ASP-_61:HB1     -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:ASP-_42:HBS      1:ILE_43:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_42:HN       1:ASP-_42:HBS      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:ILE_43:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:LEU_46:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_50:HN       1:SER_50:HB1      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:SER_50:HN       1:SER_50:HB2      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLU-_25:HN       1:GLU-_25:HB1      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_25:HN       1:GLU-_25:HB2      -1.000  4.300  0.000 10.00 10.00 1000.000  0.00
1:TYR_21:HN        1:TYR_21:HB1       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HN        1:TYR_21:HB2       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ASN_9:HN         1:ASN_9:HBR        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_9:HN         1:ASN_9:HBS        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD*       1:ASN_17:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD*       1:ASN_17:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HB1       1:GLU-_6:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HB2       1:GLU-_6:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:GLU-_6:HB1       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:GLU-_6:HB2       -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:GLU-_6:HG1       -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:GLU-_6:HG2       -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:ACE_37:HA*       1:VAL_38:HN        -1.000  3.600  2.500 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:GLU-_44:HB1      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:GLU-_44:HB2      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:MET_66:HN       1:MET_66:HB2      -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:MET_66:HN       1:MET_66:HB1      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:MET_47:HB1      1:LYS+_48:HN      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:MET_47:HB2      1:LYS+_48:HN      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:GLU-_44:HG1      -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:GLU-_44:HG2      -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HN      1:ASP-_51:HBR     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HN      1:ASP-_51:HBS     -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_49:HN      1:ASP-_49:HBS     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HN      1:ASP-_49:HBR     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_20:HA1       1:TYR_21:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLY_20:HA2       1:TYR_21:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASN_9:HBR        1:ALA_10:HN        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_9:HBS        1:ALA_10:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_28:HN        1:GLY_28:HA1       -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:GLY_28:HN        1:GLY_28:HA2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:GLU-_44:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:GLU-_44:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ACE_1:HA*        1:LYS+_2:HN        -1.000  3.600  2.500 10.00 10.00 1000.000  0.00
1:GLU-_41:HN       1:GLU-_41:HB1      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_41:HN       1:GLU-_41:HB2      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_44:HB1      1:ASP-_45:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HB2      1:ASP-_45:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_5:HB1       -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_5:HB2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:MET_47:HN       1:MET_47:HB1      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:MET_47:HN       1:MET_47:HB2      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_5:HG1       -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_5:HG2       -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HN       1:ASP-_45:HBS      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_45:HN       1:ASP-_45:HBR      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:PHE_11:HBS       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:PHE_11:HBR       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:PHE_11:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LEU_64:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HBS      1:LEU_64:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HBS      1:ILE_24:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:ASP-_23:HBR      1:ILE_24:HN        -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:PHE_60:HN       1:PHE_60:HA       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:MET_47:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:ASP-_45:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_26:HB2      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_4:HN        1:GLU-_4:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HN        1:GLU-_4:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HB2      1:LEU_27:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HB1      1:LEU_27:HN        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HN       1:ASP-_23:HBS      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HN       1:ASP-_23:HBR      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_26:HG2      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_26:HB1      -1.000  4.300  0.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_25:HB1      -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_25:HB2      -1.000  4.300  0.000 10.00 10.00 1000.000  0.00
1:PHE_60:HN       1:PHE_60:HBR      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_61:HB2     1:GLU-_62:HN      -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:ASP-_61:HB1     1:GLU-_62:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HBR     1:PHE_60:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HN      1:GLU-_62:HG1     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:GLU-_62:HN      1:GLU-_62:HG2     -1.000  4.300  2.500 10.00 10.00 1000.000  0.00
1:THR_39:HN       1:ASP-_42:HBS     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:THR_39:HN       1:ASP-_42:HBR     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HBS     1:PHE_60:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_23:HBS      1:GLU-_26:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HBR      1:GLU-_26:HN       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HN       1:GLU-_62:HG2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HN       1:GLU-_62:HG1      -1.000  5.000  2.500 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ILE_58:HB       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:GLU-_62:HG1     1:PHE_63:HN       -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HG2     1:PHE_63:HN       -1.000  5.300  0.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HN      1:ASP-_59:HBR     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HN      1:ASP-_59:HBS     -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HN       1:PHE_63:HBS      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HN       1:PHE_63:HBR      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_60:HA       1:PHE_63:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_22:HB        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_58:HB       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB1       1:ILE_22:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB2       1:ILE_22:HN        -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:ASP-_19:HB2      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:ASP-_19:HB1      -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:GLY_20:HA1       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:GLY_20:HA2       -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:ALA_18:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_56:HN       1:GLY_56:HA1      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_56:HN       1:GLY_56:HA2      -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*      1:ARG+_12:HA      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:ALA_8:HA          -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:PHE_63:HA       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:LYS+_65:HN      1:LYS+_65:HA      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HE*      1:ALA_8:HA         -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:PHE_14:HD1,HE1,HE2,HD2 1:PHE_14:HA        -1.000  6.400  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:TYR_21:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:ASP-_59:HA      -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HD*       1:TYR_21:HA        -1.000  5.400  3.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA        1:ILE_13:HN        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ILE_13:HN        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:PHE_63:HE*       -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_18:HA        1:ASN_17:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_18:HA        1:TYR_21:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HN       1:GLU-_29:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:ILE_30:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_68:HN       1:GLU-_68:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_16:HN       1:LYS+_16:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_69:HA1      1:VAL_70:HN       -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLY_69:HA2      1:VAL_70:HN       -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:VAL_70:HN       1:VAL_70:HA       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:ILE_43:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HA       1:LYS+_16:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_14:HN        1:PHE_14:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_54:HN       1:ASN_54:HA       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:LEU_46:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_42:HN       1:ASP-_42:HA       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HN       1:ASP-_15:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_33:HN        1:ALA_33:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_47:HA       1:SER_50:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_46:HN       1:LEU_46:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_56:HA1      1:ARG+_57:HN      -1.000  5.800  4.000 10.00 10.00 1000.000  0.00
1:GLY_56:HA2      1:ARG+_57:HN      -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HN      1:ASP-_61:HA      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_18:HN        1:ALA_18:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:GLY_69:HN       1:GLY_69:HA1      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLY_69:HN       1:GLY_69:HA2      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ASP-_15:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_25:HN       1:GLU-_25:HA       -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:LYS+_52:HN      1:LYS+_52:HA      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:THR_34:HN        1:THR_34:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_9:HN         1:ASN_9:HA         -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HA      1:LYS+_52:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_21:HN        1:TYR_21:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_10:HN        1:ALA_10:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:GLU-_6:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HN      1:ASP-_49:HA      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_53:HN       1:ASN_53:HA       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_66:HN       1:MET_66:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_70:HA       1:GLN_71:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HN      1:LYS+_48:HA      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_71:HN       1:GLN_71:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_50:HA       1:ASP-_51:HN      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HN      1:ASP-_51:HA      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HN        1:LYS+_2:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HN       1:ASP-_45:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HA       1:LEU_64:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HN       1:GLU-_41:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_18:HA        1:ASP-_19:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:LEU_7:HN          -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:LEU_7:HN         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_47:HN       1:MET_47:HA         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:PHE_11:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_5:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_24:HN        1:ILE_24:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HA        1:SER_3:HN         -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:LEU_7:HA         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_54:HA        1:ASP-_55:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ILE_24:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HN       1:GLU-_26:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HN       1:GLU-_26:HB2       -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ASP-_23:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASP-_61:HA      1:GLU-_62:HN      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HN      1:GLU-_62:HA      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HN       1:GLU-_40:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HN       1:GLU-_40:HG2      -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HN       1:GLU-_40:HG1      -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:LEU_27:HN        1:LEU_27:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HN        1:GLU-_4:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:LEU_27:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_3:HB*        1:GLU-_4:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_38:HA        1:THR_39:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:SER_3:HA         1:GLU-_4:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_8:HN         1:ALA_8:HA         -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:GLU-_26:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HA      1:PHE_60:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HN      1:ASP-_59:HA      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA       1:ASP-_59:HN      -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_58:HN       1:ILE_58:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HN       1:PHE_63:HA       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_54:HA       1:GLY_56:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_22:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_21:HA        1:ILE_22:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_60:HD*       -1.000  9.800  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_11:HE*       -1.000  7.300  2.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_63:HD*      -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_11:HZ        -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_60:HE*      -1.000  7.300  2.500 10.00 10.00 1000.000  0.00
1:PHE_60:HD*      1:PHE_63:HD*      -1.000  8.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_11:HZ        -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:TYR_21:HE*       1:TYR_21:HD*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_60:HE*      1:PHE_60:HZ       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:PHE_63:HE*      -1.000  7.300  2.500 10.00 10.00 1000.000  0.00
1:PHE_63:HE*      1:PHE_63:HZ       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:ILE_13:HN        1:PHE_14:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_30:HN        1:LEU_31:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:TYR_21:HN        1:TYR_21:HD*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_16:HN       1:ASN_17:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HN      1:SER_50:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_53:HN       1:ASN_54:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_50:HN       1:ASP-_51:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HN        1:GLU-_44:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HD*      1:LEU_64:HN        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HN       1:LYS+_65:HN      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HN      1:MET_66:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:ARG+_12:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HN       1:LEU_46:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HN       1:ASP-_42:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_46:HN       1:MET_47:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_54:HN       1:ASP-_55:HN      -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_18:HN        1:ASP-_19:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HN       1:ASP-_61:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HN      1:GLU-_62:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_25:HN       1:GLU-_26:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:ILE_24:HN        1:GLU-_25:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_60:HN       1:PHE_60:HD*      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN       1:PHE_11:HZ       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_56:HN       1:ARG+_57:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:TYR_21:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HN        1:LEU_7:HN         -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_31:HN        1:ARG+_32:HN     -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_10:HN        1:PHE_11:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HN        1:GLU-_6:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_47:HN       1:LYS+_48:HN      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HN       1:ASP-_45:HN       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_7:HN         1:ALA_8:HN         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HN       1:GLU-_41:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_27:HN        1:GLY_28:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HN       1:LEU_27:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HN       1:LEU_64:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HN      1:PHE_63:HN       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN        1:ILE_58:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
!150 ms mixing time D2O
1:GLU-_5:HA        1:ALA_8:HB*        -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:ALA_10:HB*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ASN_9:HA         1:ARG+_12:HB1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASN_9:HA         1:ARG+_12:HB2      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:LYS+_48:HB1     -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:LYS+_48:HB2     -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:GLU-_26:HB2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:GLU-_26:HB1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:ASN_9:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:ASN_9:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:MET_47:HB2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:ILE_43:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1       1:LEU_31:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2       1:LEU_31:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1       1:LEU_31:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2       1:LEU_31:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:ARG+_32:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:ARG+_32:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:LEU_46:HBR      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:LEU_46:HBS      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ASP-_15:HBS      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HA       1:PHE_63:HBR      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HA       1:PHE_63:HBS      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:MET_47:HB1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ILE_58:HD1*     -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ILE_22:HG2*     -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HA      1:ILE_24:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HA      1:ILE_58:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1       1:ILE_43:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1       1:ILE_43:HG2*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2       1:ILE_43:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2       1:ILE_43:HG2*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HD1*       1:LEU_64:HA       -1.000  9.700  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HD2*       1:LEU_64:HA       -1.000  9.700  5.000 10.00 10.00 1000.000  0.00
1:PHE_63:HBS      1:ILE_22:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG2*     1:PHE_63:HBS      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG2*     1:PHE_63:HBR      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA        1:ALA_10:HN          -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:PHE_14:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:LEU_7:HBR         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:LEU_7:HBS         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:PHE_11:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:PHE_11:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:PHE_14:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:PHE_14:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA        1:ILE_13:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:LEU_27:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_25:HA       1:GLY_28:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:GLU-_29:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_31:HN        1:LEU_31:HA        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:LEU_27:HB1        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:LEU_27:HB2        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:GLU-_44:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:LYS+_48:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:ASP-_49:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA       1:ASP-_51:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:GLU-_44:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:GLU-_44:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:ASP-_49:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:ASP-_49:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA        1:SER_50:HB1        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA        1:SER_50:HB2        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA       1:ASP-_51:HBS       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HA       1:LEU_64:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_63:HA        1:MET_67:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HA       1:GLU-_62:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HA       1:GLU-_62:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HA       1:LEU_64:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_21:HA        1:ASP-_59:HA       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ARG+_57:HA       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:ILE_24:HD1*     -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:SER_50:HB1       1:ILE_58:HD1*     -1.000  8.400  5.000 10.00 10.00 1000.000  0.00
1:SER_50:HB2       1:ILE_58:HD1*     -1.000  8.400  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:ILE_43:HG2*     -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:TYR_21:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:ASP-_59:HA       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_60:HD*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_60:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_63:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_60:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD*       1:ALA_8:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HZ       1:ASP-_59:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*       1:PHE_11:HA        -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*       1:PHE_63:HBS       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HD*       1:PHE_63:HBR       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HN       1:PHE_60:HD*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HN       1:PHE_60:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HN       1:PHE_11:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN       1:PHE_11:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HN       1:TYR_21:HD*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN       1:PHE_11:HE*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HA     1:ILE_22:HG2*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA      1:LEU_27:HD1*      -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA      1:LEU_27:HD2*      -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:GLU-_25:HA     1:ILE_24:HG2*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:LEU_64:HD1*      -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:LEU_64:HD2*      -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HG1    1:ILE_58:HG2*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB1    1:ARG+_57:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB2    1:ARG+_57:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB1    1:ARG+_57:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:TYR_21:HB2    1:ARG+_57:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HG1    1:MET_47:HE*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HB1    1:GLU-_62:HG2      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HB2    1:GLU-_62:HG2      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HB1    1:GLU-_62:HG1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HB2    1:GLU-_62:HG1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
!150 ms intra sidechains
1:ILE_58:HA        1:GLU-_62:HG1       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_58:HA        1:GLU-_62:HG2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ILE_22:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ILE_22:HG12       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ILE_22:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HA        1:ILE_22:HG11       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HA       1:ARG+_57:HG1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HA       1:ARG+_57:HG2      -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HA       1:ARG+_57:HB2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_57:HA       1:ARG+_57:HB1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_39:HA        1:THR_39:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:THR_39:HB        1:THR_39:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:LEU_7:HD1*       -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:LEU_7:HD2*       -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:VAL_38:HA        1:VAL_38:HG*       -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_31:HA        1:LEU_31:HD1*      -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_31:HA        1:LEU_31:HD2*      -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:THR_34:HA        1:THR_34:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:THR_34:HB        1:THR_34:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ALA_18:HA        1:ALA_18:HB*       -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ALA_8:HA         1:ALA_8:HB*        -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HA        1:LYS+_2:HG1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HA        1:LYS+_2:HG2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HA       1:ASP-_15:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HA       1:ASP-_15:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:LEU_7:HBS         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:LEU_7:HBR         -1.000  5.000  0.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HA        1:LYS+_2:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_2:HA        1:LYS+_2:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HA         1:LEU_7:HG          -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_33:HA        1:ALA_33:HB*       -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:LEU_46:HG         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:LEU_46:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_46:HA        1:LEU_46:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA        1:MET_47:HE*        -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA        1:MET_47:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HA        1:MET_47:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_31:HA        1:LEU_31:HB2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_31:HA        1:LEU_31:HB1       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HA        1:LYS+_65:HG*        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ASP-_23:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_53:HA        1:ASN_53:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_53:HA        1:ASN_53:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HA       1:ASP-_23:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HA       1:ASP-_51:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HA       1:ASP-_51:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_38:HA        1:VAL_38:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:GLU-_6:HB2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HA        1:LYS+_52:HB1        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HA        1:LYS+_52:HB2        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HA        1:GLU-_5:HB2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HA        1:GLU-_5:HB1       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HB2        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HB1        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:GLU-_41:HB1      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_41:HA       1:GLU-_41:HB2      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:GLU-_26:HB2      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:GLU-_6:HG1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:GLU-_6:HG2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_6:HA        1:GLU-_6:HB1       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:GLU-_26:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HA        1:GLU-_5:HG1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_5:HA        1:GLU-_5:HG2        -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:GLU-_29:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:GLU-_29:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:GLU-_29:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_29:HA       1:GLU-_29:HG1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_68:HA       1:GLU-_68:HG1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_68:HA       1:GLU-_68:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HB1       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HB2        -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HA       1:GLU-_62:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_4:HA        1:GLU-_4:HG*        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_66:HA        1:MET_66:HG*        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HA       1:GLU-_62:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HA       1:ASP-_61:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_61:HA       1:ASP-_61:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:GLU-_26:HG1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HA       1:GLU-_26:HG2       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HA        1:LYS+_52:HE*        -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA       1:ILE_13:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA       1:LEU_7:HD1*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA       1:LEU_7:HD2*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:PHE_63:HA        1:PHE_63:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_63:HA        1:PHE_63:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_42:HA       1:ASP-_42:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:ASP-_45:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HA       1:ASP-_45:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_42:HA       1:ASP-_42:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HA       1:ASP-_49:HBS       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HA       1:ASP-_49:HBR       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_54:HA        1:ASN_54:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_9:HA         1:ASN_9:HBS         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:PHE_14:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_9:HA         1:ASN_9:HBR         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_54:HA        1:ASN_54:HBS       -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:PHE_14:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_50:HA        1:SER_50:HB1        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_50:HA        1:SER_50:HB2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA       1:LYS+_48:HE*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_70:HA        1:VAL_70:HG*       -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:ILE_24:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:ILE_43:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_27:HA        1:LEU_27:HB1        -1.000  4.800  0.000 10.00 10.00 1000.000  0.00
1:LEU_27:HA        1:LEU_27:HB2       -1.000  4.800  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ARG+_12:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ARG+_12:HG1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_10:HA        1:ALA_10:HB*       -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ARG+_12:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HA        1:ILE_24:HB        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HA       1:ARG+_12:HB1      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_13:HA        1:ILE_13:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HA        1:ILE_13:HG12       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HA        1:ILE_13:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HA        1:LEU_64:HD1*      -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HA        1:LEU_64:HD2*      -1.000  7.800  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:ILE_43:HD1*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:ILE_43:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HA        1:LEU_64:HG         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HA        1:LEU_64:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HA        1:ILE_13:HG11       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HA        1:ILE_13:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HA        1:LEU_64:HBR       -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:ILE_43:HG11       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:ILE_43:HG12       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA        1:ILE_43:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_30:HA        1:ILE_30:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD1      1:ARG+_32:HG*       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD2      1:ARG+_32:HG*       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_30:HA        1:ILE_30:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:GLU-_40:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:GLU-_40:HB2       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:GLU-_40:HG1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_40:HA       1:GLU-_40:HG2       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:GLU-_44:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA       1:GLU-_44:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HA        1:PHE_60:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_60:HA        1:PHE_60:HBS        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HA1       1:GLY_20:HA2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_56:HA1       1:GLY_56:HA2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1       1:GLY_28:HA2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_63:HBS       1:PHE_63:HBR       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_23:HBS      1:ASP-_23:HBR      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_59:HBS      1:ASP-_59:HBR      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_19:HB1      1:ASP-_19:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_53:HBR       1:ASN_53:HBS       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:PHE_11:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:PHE_11:HBS       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_11:HBS       1:PHE_11:HBR        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBS       1:PHE_14:HBR       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_42:HBS      1:ASP-_42:HBR      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_51:HBS      1:ASP-_51:HBR      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_9:HBR        1:ASN_9:HBS         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_54:HBS        1:ASN_54:HBR         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HB1      1:GLU-_62:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_62:HG1      1:GLU-_62:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HG1      1:GLU-_26:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HG1      1:GLU-_26:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HG1      1:GLU-_26:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HG1      1:MET_47:HB1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HG1      1:MET_47:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HG1      1:MET_47:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_49:HBR      1:ASP-_49:HBS      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_45:HBS      1:ASP-_45:HBR      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_55:HB1      1:ASP-_55:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HBR      1:ASP-_15:HBS      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HBR        1:LEU_7:HG          -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HBR        1:LEU_7:HBS        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HB        1:ILE_58:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_7:HBR        1:LEU_7:HD1*       -1.000  7.200  3.000 10.00 10.00 1000.000  0.00
1:LEU_7:HBS        1:LEU_7:HD2*       -1.000  7.200  3.000 10.00 10.00 1000.000  0.00
1:ILE_22:HB        1:ILE_22:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_22:HB        1:ILE_22:HG11       -1.000  5.800  0.000 10.00 10.00 1000.000  0.00
1:ILE_22:HB        1:ILE_22:HG12       -1.000  5.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_24:HB        1:ILE_24:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBR       1:LEU_64:HBS       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HB        1:ILE_43:HD1*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_43:HB        1:ILE_43:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_30:HB        1:ILE_30:HG2*      -1.000  4.600  3.000 10.00 10.00 1000.000  0.00
1:ILE_30:HB        1:ILE_30:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HB        1:ILE_13:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HB        1:ILE_13:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBR       1:LEU_64:HD1*       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBR       1:LEU_64:HD2*       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HG11      1:ILE_13:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HG11      1:ILE_13:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HG12      1:ILE_13:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HG        1:LEU_64:HD2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HG        1:LEU_64:HD1*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HG12      1:ILE_13:HD1*      -1.000  6.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBS       1:LEU_64:HD2*       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_64:HBS       1:LEU_64:HD1*       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HG2*      1:ILE_58:HG2*      -1.000  6.200  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG11      1:ILE_58:HD1*       -1.000  9.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG12      1:ILE_58:HD1*       -1.000  9.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HG11      1:ILE_13:HG12      -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG11      1:ILE_58:HG12       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HB        1:ILE_13:HG11       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_13:HB        1:ILE_13:HG12       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HB2        1:MET_47:HE*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HB1        1:MET_47:HE*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
!Additional Assignments
1:ASP-_23:HA        1:ILE_24:HB        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HB1       1:ILE_22:HG2*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLU-_26:HB2       1:ILE_22:HG2*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:MET_47:HG1        1:ILE_43:HG2*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:MET_67:HA         1:MET_67:HB1       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:MET_67:HA         1:MET_67:HB2       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:MET_67:HA         1:MET_67:HG1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_67:HA         1:MET_67:HG2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HA        1:LYS+_52:HD1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HA        1:LYS+_52:HD2      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HG2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HG1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HD1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_48:HA        1:LYS+_48:HD2      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HA        1:LYS+_65:HB1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_65:HA        1:LYS+_65:HB2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_71:HA         1:GLN_71:HB1       -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLN_71:HA         1:GLN_71:HB2       -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HD*       1:ARG+_12:HG1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HD*       1:ARG+_12:HG2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HA        1:ARG+_32:HB1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HA        1:ARG+_32:HB2      -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD1       1:ARG+_32:HB1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD1       1:ARG+_32:HB2      -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD2       1:ARG+_32:HB1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD2       1:ARG+_32:HB2      -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HD*       1:ARG+_12:HB1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_12:HD*       1:ARG+_12:HB2      -1.000  5.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_16:HE*       1:LYS+_16:HB*      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_16:HE*       1:LYS+_16:HD*      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_16:HE*       1:LYS+_16:HG*      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HE*       1:LYS+_52:HG1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HE*       1:LYS+_52:HG2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HE*       1:LYS+_52:HD1      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_52:HE*       1:LYS+_52:HD2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA        1:GLU-_44:HG1      -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLU-_44:HA        1:GLU-_44:HG2      -1.000  6.800  0.000 10.00 10.00 1000.000  0.00
1:ARG+_32:HD1       1:ARG+_32:HD2      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HB         1:ILE_58:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HB         1:MET_66:HE*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ILE_58:HG2*       1:GLU-_62:HG2      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:ASP-_15:HA         1:ILE_22:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1        1:ILE_43:HG11      -1.000  8.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2        1:ILE_43:HG11      -1.000  8.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1        1:ILE_43:HG12      -1.000  8.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2        1:ILE_43:HG12      -1.000  8.600  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA1        1:ILE_43:HB        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:GLY_28:HA2        1:ILE_43:HB        -1.000  6.800  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA         1:LEU_31:HD2*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA         1:LEU_31:HD1*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA         1:LEU_27:HD2*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ILE_43:HA         1:LEU_27:HD1*       -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:ILE_22:HB         1:ILE_58:HG2*       -1.000  6.600  5.000 10.00 10.00 1000.000  0.00
1:VAL_70:HB         1:VAL_70:HG*      -1.000  9.200  5.000 10.00 10.00 1000.000  0.00
1:MET_66:HE*        1:ILE_58:HD1*      -1.000  6.600  5.000 10.00 10.00 1000.000  0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1          1HH3      ACE   1  23.186   5.177  -1.822
    2   2H    ACE   1          2HH3      ACE   1  24.398   5.812  -0.653
    3   3H    ACE   1          3HH3      ACE   1  23.701   4.180  -0.443
    4    H    LYS   2           H        LYS   2  22.703   7.608  -0.581
    5    HA   LYS   2           HA       LYS   2  20.756   7.150   1.657
    6   1HB   LYS   2          1HB       LYS   2  21.811   9.662   0.276
    7   2HB   LYS   2          2HB       LYS   2  20.511   9.786   1.440
    8   1HG   LYS   2          1HG       LYS   2  23.390   8.679   1.972
    9   2HG   LYS   2          2HG       LYS   2  22.834  10.277   2.395
   10   1HD   LYS   2          1HD       LYS   2  21.636   9.533   4.281
   11   2HD   LYS   2          2HD       LYS   2  21.167   8.000   3.542
   12   1HE   LYS   2          1HE       LYS   2  23.281   6.949   3.952
   13   2HE   LYS   2          2HE       LYS   2  24.152   8.472   4.209
   14   1HZ   LYS   2          1HZ       LYS   2  22.788   8.781   6.352
   15   2HZ   LYS   2          2HZ       LYS   2  22.094   7.285   6.142
   16   3HZ   LYS   2          3HZ       LYS   2  23.680   7.495   6.383
   17    H    SER   3           H        SER   3  19.754   5.816  -0.499
   18    HA   SER   3           HA       SER   3  17.954   7.683  -2.141
   19   1HB   SER   3          1HB       SER   3  19.666   5.297  -2.830
   20   2HB   SER   3          2HB       SER   3  18.178   5.450  -3.733
   21    HG   SER   3           HG       SER   3  18.889   7.786  -3.998
   22    H    GLU   4           H        GLU   4  17.508   4.167  -2.170
   23    HA   GLU   4           HA       GLU   4  14.709   4.586  -1.126
   24   1HB   GLU   4          1HB       GLU   4  13.506   4.646  -2.940
   25   2HB   GLU   4          2HB       GLU   4  15.003   5.092  -3.722
   26   1HG   GLU   4          1HG       GLU   4  13.509   2.407  -3.879
   27   2HG   GLU   4          2HG       GLU   4  14.002   3.457  -5.202
   28    H    GLU   5           H        GLU   5  17.180   2.978  -0.532
   29    HA   GLU   5           HA       GLU   5  16.841   0.327  -1.658
   30   1HB   GLU   5          1HB       GLU   5  19.031   0.930  -1.407
   31   2HB   GLU   5          2HB       GLU   5  18.831   1.624   0.173
   32   1HG   GLU   5          1HG       GLU   5  19.172  -0.461   1.300
   33   2HG   GLU   5          2HG       GLU   5  18.584  -1.429  -0.039
   34    H    GLU   6           H        GLU   6  16.422   1.280   1.759
   35    HA   GLU   6           HA       GLU   6  15.400  -1.416   2.491
   36   1HB   GLU   6          1HB       GLU   6  16.578   0.829   3.861
   37   2HB   GLU   6          2HB       GLU   6  15.093   0.454   4.682
   38   1HG   GLU   6          1HG       GLU   6  16.394  -1.038   5.888
   39   2HG   GLU   6          2HG       GLU   6  16.198  -2.121   4.522
   40    H    LEU   7           H        LEU   7  13.856   1.696   1.976
   41    HA   LEU   7           HA       LEU   7  11.013   0.763   2.376
   42   1HB   LEU   7          1HB       LEU   7  12.203   3.087   0.765
   43   2HB   LEU   7          2HB       LEU   7  10.489   2.771   0.875
   44    HG   LEU   7           HG       LEU   7  11.074   2.909   3.576
   45   1HD1  LEU   7          1HD1      LEU   7  13.478   3.417   3.189
   46   2HD1  LEU   7          2HD1      LEU   7  13.062   4.839   2.198
   47   3HD1  LEU   7          3HD1      LEU   7  12.671   4.802   3.937
   48   1HD2  LEU   7          1HD2      LEU   7  10.452   5.313   1.703
   49   2HD2  LEU   7          2HD2      LEU   7   9.265   4.247   2.503
   50   3HD2  LEU   7          3HD2      LEU   7  10.272   5.320   3.478
   51    H    ALA   8           H        ALA   8  13.325   0.741  -0.378
   52    HA   ALA   8           HA       ALA   8  11.755  -0.691  -2.278
   53   1HB   ALA   8          1HB       ALA   8  14.770  -0.962  -1.632
   54   2HB   ALA   8          2HB       ALA   8  13.993  -1.511  -3.131
   55   3HB   ALA   8          3HB       ALA   8  14.013   0.212  -2.734
   56    H    ASN   9           H        ASN   9  14.216  -2.681  -0.627
   57    HA   ASN   9           HA       ASN   9  13.084  -5.189  -0.554
   58   1HB   ASN   9          1HB       ASN   9  14.471  -3.904   1.902
   59   2HB   ASN   9          2HB       ASN   9  14.279  -5.616   1.649
   60   1HD2  ASN   9          1HD2      ASN   9  16.808  -5.545  -1.037
   61   2HD2  ASN   9          2HD2      ASN   9  15.134  -6.211  -0.775
   62    H    ALA  10           H        ALA  10  12.002  -2.632   1.647
   63    HA   ALA  10           HA       ALA  10   9.972  -4.168   3.166
   64   1HB   ALA  10          1HB       ALA  10  10.987  -2.006   3.911
   65   2HB   ALA  10          2HB       ALA  10  10.182  -1.134   2.581
   66   3HB   ALA  10          3HB       ALA  10   9.216  -1.892   3.866
   67    H    PHE  11           H        PHE  11   9.540  -1.941   0.380
   68    HA   PHE  11           HA       PHE  11   6.730  -2.528  -0.113
   69   1HB   PHE  11          1HB       PHE  11   7.929  -0.483  -0.880
   70   2HB   PHE  11          2HB       PHE  11   8.884  -1.412  -1.986
   71    HD1  PHE  11           HD1      PHE  11   5.366  -0.276  -1.366
   72    HD2  PHE  11           HD2      PHE  11   8.068  -1.993  -4.241
   73    HE1  PHE  11           HE1      PHE  11   3.789   0.254  -3.179
   74    HE2  PHE  11           HE2      PHE  11   6.470  -1.463  -6.040
   75    HZ   PHE  11           HZ       PHE  11   4.326  -0.344  -5.507
   76    H    ARG  12           H        ARG  12   9.606  -4.048  -1.583
   77    HA   ARG  12           HA       ARG  12   8.067  -5.998  -3.145
   78   1HB   ARG  12          1HB       ARG  12  10.622  -5.168  -3.275
   79   2HB   ARG  12          2HB       ARG  12  10.931  -6.582  -2.274
   80   1HG   ARG  12          1HG       ARG  12   9.690  -8.011  -4.049
   81   2HG   ARG  12          2HG       ARG  12   9.579  -6.571  -5.070
   82   1HD   ARG  12          1HD       ARG  12  12.231  -6.415  -4.761
   83   2HD   ARG  12          2HD       ARG  12  12.104  -8.115  -4.229
   84    HE   ARG  12           HE       ARG  12  11.015  -8.675  -6.471
   85   1HH1  ARG  12          2HH1      ARG  12  12.630  -5.614  -6.308
   86   2HH1  ARG  12          1HH1      ARG  12  12.803  -5.516  -8.127
   87   1HH2  ARG  12          1HH2      ARG  12  11.213  -8.546  -8.499
   88   2HH2  ARG  12          2HH2      ARG  12  12.025  -7.124  -9.302
   89    H    ILE  13           H        ILE  13   9.244  -6.096   0.176
   90    HA   ILE  13           HA       ILE  13   8.905  -9.027   0.673
   91    HB   ILE  13           HB       ILE  13   9.277  -6.606   2.486
   92   1HG1  ILE  13          1HG1      ILE  13  11.266  -7.972   1.304
   93   2HG1  ILE  13          2HG1      ILE  13  11.429  -7.360   2.928
   94   1HG2  ILE  13          1HG2      ILE  13   7.638  -8.068   3.733
   95   2HG2  ILE  13          2HG2      ILE  13   8.693  -9.484   3.508
   96   3HG2  ILE  13          3HG2      ILE  13   9.202  -8.122   4.526
   97   1HD1  ILE  13          1HD1      ILE  13  10.854  -9.594   3.936
   98   2HD1  ILE  13          2HD1      ILE  13  10.741 -10.295   2.303
   99   3HD1  ILE  13          3HD1      ILE  13  12.289  -9.654   2.887
  100    H    PHE  14           H        PHE  14   6.853  -6.159   0.914
  101    HA   PHE  14           HA       PHE  14   4.427  -7.486   2.043
  102   1HB   PHE  14          1HB       PHE  14   4.930  -4.837   0.560
  103   2HB   PHE  14          2HB       PHE  14   3.308  -5.371   0.854
  104    HD1  PHE  14           HD1      PHE  14   6.161  -5.803   3.298
  105    HD2  PHE  14           HD2      PHE  14   2.547  -3.687   2.345
  106    HE1  PHE  14           HE1      PHE  14   6.168  -4.778   5.537
  107    HE2  PHE  14           HE2      PHE  14   2.572  -2.647   4.577
  108    HZ   PHE  14           HZ       PHE  14   4.368  -3.217   6.192
  109    H    ASP  15           H        ASP  15   5.530  -6.733  -1.258
  110    HA   ASP  15           HA       ASP  15   3.008  -7.299  -2.568
  111   1HB   ASP  15          1HB       ASP  15   4.737  -5.736  -3.428
  112   2HB   ASP  15          2HB       ASP  15   5.856  -7.056  -3.732
  113    H    LYS  16           H        LYS  16   2.221  -8.971  -3.841
  114    HA   LYS  16           HA       LYS  16   2.869 -11.669  -2.677
  115   1HB   LYS  16          1HB       LYS  16   0.635 -10.709  -4.549
  116   2HB   LYS  16          2HB       LYS  16   0.895 -12.409  -4.275
  117   1HG   LYS  16          1HG       LYS  16   0.143 -10.268  -2.154
  118   2HG   LYS  16          2HG       LYS  16  -0.956 -11.431  -2.886
  119   1HD   LYS  16          1HD       LYS  16   1.299 -11.975  -0.871
  120   2HD   LYS  16          2HD       LYS  16  -0.432 -12.255  -0.699
  121   1HE   LYS  16          1HE       LYS  16  -0.470 -14.288  -1.758
  122   2HE   LYS  16          2HE       LYS  16   0.799 -13.873  -2.929
  123   1HZ   LYS  16          1HZ       LYS  16   1.528 -13.962  -0.016
  124   2HZ   LYS  16          2HZ       LYS  16   1.413 -15.416  -0.774
  125   3HZ   LYS  16          3HZ       LYS  16   2.508 -14.284  -1.276
  126    H    ASN  17           H        ASN  17   2.114 -10.897  -6.076
  127    HA   ASN  17           HA       ASN  17   4.226 -12.858  -6.947
  128   1HB   ASN  17          1HB       ASN  17   1.681 -11.768  -8.223
  129   2HB   ASN  17          2HB       ASN  17   2.859 -12.569  -9.227
  130   1HD2  ASN  17          1HD2      ASN  17   0.415 -14.825  -6.963
  131   2HD2  ASN  17          2HD2      ASN  17   0.704 -13.133  -6.440
  132    H    ALA  18           H        ALA  18   3.587  -9.431  -7.372
  133    HA   ALA  18           HA       ALA  18   5.344  -7.777  -7.512
  134   1HB   ALA  18          1HB       ALA  18   6.743  -9.618  -6.505
  135   2HB   ALA  18          2HB       ALA  18   7.097 -10.234  -8.134
  136   3HB   ALA  18          3HB       ALA  18   7.687  -8.633  -7.656
  137    H    ASP  19           H        ASP  19   3.707  -8.197  -9.904
  138    HA   ASP  19           HA       ASP  19   5.392  -7.235 -12.126
  139   1HB   ASP  19          1HB       ASP  19   2.455  -6.492 -11.544
  140   2HB   ASP  19          2HB       ASP  19   3.268  -6.434 -13.102
  141    H    GLY  20           H        GLY  20   4.530  -5.760  -9.142
  142   1HA   GLY  20          1HA       GLY  20   6.360  -4.052  -8.514
  143   2HA   GLY  20          2HA       GLY  20   5.934  -3.181  -9.996
  144    H    TYR  21           H        TYR  21   3.025  -4.109  -8.721
  145    HA   TYR  21           HA       TYR  21   2.581  -1.270  -7.599
  146   1HB   TYR  21          1HB       TYR  21   0.626  -2.982  -9.267
  147   2HB   TYR  21          2HB       TYR  21   0.220  -1.470  -8.513
  148    HD1  TYR  21           HD1      TYR  21   3.329  -2.379 -10.524
  149    HD2  TYR  21           HD2      TYR  21  -0.255  -0.013 -10.280
  150    HE1  TYR  21           HE1      TYR  21   3.962  -1.169 -12.585
  151    HE2  TYR  21           HE2      TYR  21   0.399   1.173 -12.338
  152    HH   TYR  21           HH       TYR  21   1.930   0.717 -14.351
  153    H    ILE  22           H        ILE  22   0.934  -1.009  -5.981
  154    HA   ILE  22           HA       ILE  22  -0.148  -3.539  -4.637
  155    HB   ILE  22           HB       ILE  22  -0.154  -0.682  -3.523
  156   1HG1  ILE  22          1HG1      ILE  22   1.924  -2.896  -3.233
  157   2HG1  ILE  22          2HG1      ILE  22   2.153  -1.175  -3.385
  158   1HG2  ILE  22          1HG2      ILE  22  -1.981  -2.129  -2.524
  159   2HG2  ILE  22          2HG2      ILE  22  -0.787  -3.366  -2.084
  160   3HG2  ILE  22          3HG2      ILE  22  -0.767  -1.760  -1.311
  161   1HD1  ILE  22          1HD1      ILE  22   1.301  -0.798  -1.014
  162   2HD1  ILE  22          2HD1      ILE  22   1.262  -2.566  -0.794
  163   3HD1  ILE  22          3HD1      ILE  22   2.803  -1.749  -1.127
  164    H    ASP  23           H        ASP  23  -2.253  -3.993  -4.526
  165    HA   ASP  23           HA       ASP  23  -4.302  -2.045  -5.712
  166   1HB   ASP  23          1HB       ASP  23  -5.479  -3.885  -6.769
  167   2HB   ASP  23          2HB       ASP  23  -3.780  -4.047  -7.194
  168    H    ILE  24           H        ILE  24  -6.593  -2.567  -4.973
  169    HA   ILE  24           HA       ILE  24  -6.640  -2.040  -2.009
  170    HB   ILE  24           HB       ILE  24  -8.283  -1.190  -4.034
  171   1HG1  ILE  24          1HG1      ILE  24  -8.720  -1.263  -1.005
  172   2HG1  ILE  24          2HG1      ILE  24  -8.321   0.092  -2.025
  173   1HG2  ILE  24          1HG2      ILE  24  -9.461  -3.421  -4.305
  174   2HG2  ILE  24          2HG2      ILE  24  -9.937  -3.392  -2.596
  175   3HG2  ILE  24          3HG2      ILE  24 -10.589  -2.198  -3.747
  176   1HD1  ILE  24          1HD1      ILE  24 -10.647   0.063  -3.062
  177   2HD1  ILE  24          2HD1      ILE  24 -11.115  -1.177  -1.872
  178   3HD1  ILE  24          3HD1      ILE  24 -10.613   0.434  -1.318
  179    H    GLU  25           H        GLU  25  -6.987  -4.810  -4.079
  180    HA   GLU  25           HA       GLU  25  -8.392  -6.552  -2.082
  181   1HB   GLU  25          1HB       GLU  25  -8.738  -6.773  -4.535
  182   2HB   GLU  25          2HB       GLU  25  -7.099  -7.307  -4.748
  183   1HG   GLU  25          1HG       GLU  25  -8.189  -9.393  -4.743
  184   2HG   GLU  25          2HG       GLU  25  -7.827  -9.299  -3.029
  185    H    GLU  26           H        GLU  26  -5.056  -6.006  -3.022
  186    HA   GLU  26           HA       GLU  26  -3.867  -8.177  -1.330
  187   1HB   GLU  26          1HB       GLU  26  -2.656  -5.839  -2.848
  188   2HB   GLU  26          2HB       GLU  26  -1.692  -6.775  -1.748
  189   1HG   GLU  26          1HG       GLU  26  -1.994  -8.845  -3.129
  190   2HG   GLU  26          2HG       GLU  26  -3.178  -8.055  -4.154
  191    H    LEU  27           H        LEU  27  -4.795  -4.852  -0.806
  192    HA   LEU  27           HA       LEU  27  -2.835  -4.171   1.231
  193   1HB   LEU  27          1HB       LEU  27  -3.999  -2.531  -0.205
  194   2HB   LEU  27          2HB       LEU  27  -5.531  -2.859   0.563
  195    HG   LEU  27           HG       LEU  27  -4.058  -0.705   1.222
  196   1HD1  LEU  27          1HD1      LEU  27  -6.338  -1.242   2.088
  197   2HD1  LEU  27          2HD1      LEU  27  -5.651  -2.341   3.317
  198   3HD1  LEU  27          3HD1      LEU  27  -5.306  -0.588   3.358
  199   1HD2  LEU  27          1HD2      LEU  27  -3.039  -2.802   3.281
  200   2HD2  LEU  27          2HD2      LEU  27  -2.042  -1.955   2.062
  201   3HD2  LEU  27          3HD2      LEU  27  -2.804  -1.034   3.363
  202    H    GLY  28           H        GLY  28  -6.371  -4.690   1.939
  203   1HA   GLY  28          1HA       GLY  28  -6.446  -5.335   4.622
  204   2HA   GLY  28          2HA       GLY  28  -7.257  -6.400   3.467
  205    H    GLU  29           H        GLU  29  -5.026  -7.605   2.252
  206    HA   GLU  29           HA       GLU  29  -4.483  -9.784   4.190
  207   1HB   GLU  29          1HB       GLU  29  -3.692  -9.315   1.301
  208   2HB   GLU  29          2HB       GLU  29  -2.952 -10.608   2.194
  209   1HG   GLU  29          1HG       GLU  29  -5.717 -11.091   2.665
  210   2HG   GLU  29          2HG       GLU  29  -5.724 -10.447   1.033
  211    H    ILE  30           H        ILE  30  -2.608  -7.028   3.141
  212    HA   ILE  30           HA       ILE  30  -0.070  -7.627   4.617
  213    HB   ILE  30           HB       ILE  30  -1.340  -4.976   3.759
  214   1HG1  ILE  30          1HG1      ILE  30   1.082  -4.995   2.462
  215   2HG1  ILE  30          2HG1      ILE  30   0.859  -6.720   2.571
  216   1HG2  ILE  30          1HG2      ILE  30   0.010  -4.553   5.846
  217   2HG2  ILE  30          2HG2      ILE  30   1.424  -5.357   5.116
  218   3HG2  ILE  30          3HG2      ILE  30   0.795  -3.825   4.448
  219   1HD1  ILE  30          1HD1      ILE  30  -1.200  -4.887   1.171
  220   2HD1  ILE  30          2HD1      ILE  30   0.013  -5.935   0.405
  221   3HD1  ILE  30          3HD1      ILE  30  -1.304  -6.657   1.351
  222    H    LEU  31           H        LEU  31  -3.009  -5.759   5.450
  223    HA   LEU  31           HA       LEU  31  -2.278  -5.438   8.335
  224   1HB   LEU  31          1HB       LEU  31  -5.130  -5.046   7.442
  225   2HB   LEU  31          2HB       LEU  31  -4.177  -4.104   8.562
  226    HG   LEU  31           HG       LEU  31  -4.407  -3.840   5.562
  227   1HD1  LEU  31          1HD1      LEU  31  -4.159  -1.834   7.905
  228   2HD1  LEU  31          2HD1      LEU  31  -4.371  -1.396   6.189
  229   3HD1  LEU  31          3HD1      LEU  31  -5.638  -2.301   7.021
  230   1HD2  LEU  31          1HD2      LEU  31  -1.837  -3.023   7.099
  231   2HD2  LEU  31          2HD2      LEU  31  -1.944  -4.150   5.718
  232   3HD2  LEU  31          3HD2      LEU  31  -2.284  -2.433   5.477
  233    H    ARG  32           H        ARG  32  -3.290  -8.188   6.748
  234    HA   ARG  32           HA       ARG  32  -4.259  -9.411   9.401
  235   1HB   ARG  32          1HB       ARG  32  -5.948  -8.829   7.555
  236   2HB   ARG  32          2HB       ARG  32  -5.199 -10.054   6.533
  237   1HG   ARG  32          1HG       ARG  32  -6.468 -11.684   7.556
  238   2HG   ARG  32          2HG       ARG  32  -5.792 -11.255   9.138
  239   1HD   ARG  32          1HD       ARG  32  -7.935 -10.573   9.693
  240   2HD   ARG  32          2HD       ARG  32  -7.567  -9.114   8.745
  241    HE   ARG  32           HE       ARG  32  -9.148  -9.885   7.100
  242   1HH1  ARG  32          2HH1      ARG  32  -7.936 -12.701   8.736
  243   2HH1  ARG  32          1HH1      ARG  32  -8.967 -13.822   7.727
  244   1HH2  ARG  32          1HH2      ARG  32 -10.290 -11.180   5.980
  245   2HH2  ARG  32          2HH2      ARG  32 -10.236 -12.981   6.257
  246    H    ALA  33           H        ALA  33  -3.178 -10.632   6.209
  247    HA   ALA  33           HA       ALA  33  -2.998 -13.286   6.844
  248   1HB   ALA  33          1HB       ALA  33  -2.684 -12.349   4.557
  249   2HB   ALA  33          2HB       ALA  33  -1.024 -11.833   4.960
  250   3HB   ALA  33          3HB       ALA  33  -1.438 -13.560   4.903
  251    H    THR  34           H        THR  34  -1.962 -14.635   8.136
  252    HA   THR  34           HA       THR  34   1.038 -14.529   8.494
  253    HB   THR  34           HB       THR  34   0.861 -14.807  11.018
  254    HG1  THR  34           HG1      THR  34  -1.673 -13.583  10.683
  255   1HG2  THR  34          2HG2      THR  34   1.461 -12.580   9.860
  256   2HG2  THR  34          3HG2      THR  34  -0.256 -12.111   9.967
  257   3HG2  THR  34          1HG2      THR  34   0.684 -12.358  11.449
  258    H    GLY  35           H        GLY  35   1.020 -16.517   7.264
  259   1HA   GLY  35          1HA       GLY  35   1.953 -18.643   8.918
  260   2HA   GLY  35          2HA       GLY  35   0.234 -19.014   8.748
  261   1HN   NH2  36          1HN       NH2  36   0.740 -17.631   5.790
  262   2HN   NH2  36          2HN       NH2  36   1.306 -19.042   4.855
  263   1H    ACE  37          1HH3      ACE  37 -18.443  -6.553  12.687
  264   2H    ACE  37          2HH3      ACE  37 -17.671  -5.336  13.761
  265   3H    ACE  37          3HH3      ACE  37 -18.599  -4.812  12.332
  266    H    VAL  38           H        VAL  38 -15.795  -6.852  13.175
  267    HA   VAL  38           HA       VAL  38 -14.061  -4.953  11.699
  268    HB   VAL  38           HB       VAL  38 -13.218  -5.558  13.801
  269   1HG1  VAL  38          1HG1      VAL  38 -13.545  -8.563  13.081
  270   2HG1  VAL  38          2HG1      VAL  38 -12.730  -7.970  14.547
  271   3HG1  VAL  38          3HG1      VAL  38 -14.454  -7.664  14.310
  272   1HG2  VAL  38          1HG2      VAL  38 -11.348  -5.557  12.092
  273   2HG2  VAL  38          2HG2      VAL  38 -11.004  -6.709  13.399
  274   3HG2  VAL  38          3HG2      VAL  38 -11.586  -7.297  11.823
  275    H    THR  39           H        THR  39 -14.008  -5.130   9.492
  276    HA   THR  39           HA       THR  39 -13.461  -7.698   8.091
  277    HB   THR  39           HB       THR  39 -16.017  -6.736   6.948
  278    HG1  THR  39           HG1      THR  39 -16.607  -6.448   9.084
  279   1HG2  THR  39          2HG2      THR  39 -15.053  -9.484   8.012
  280   2HG2  THR  39          3HG2      THR  39 -16.519  -9.214   7.039
  281   3HG2  THR  39          1HG2      THR  39 -14.918  -8.909   6.334
  282    H    GLU  40           H        GLU  40 -14.212  -7.040   5.509
  283    HA   GLU  40           HA       GLU  40 -11.779  -5.356   5.023
  284   1HB   GLU  40          1HB       GLU  40 -11.999  -6.112   2.643
  285   2HB   GLU  40          2HB       GLU  40 -11.718  -7.351   3.828
  286   1HG   GLU  40          1HG       GLU  40 -13.812  -8.410   3.442
  287   2HG   GLU  40          2HG       GLU  40 -14.639  -6.921   3.027
  288    H    GLU  41           H        GLU  41 -15.198  -4.749   4.811
  289    HA   GLU  41           HA       GLU  41 -15.126  -2.314   3.289
  290   1HB   GLU  41          1HB       GLU  41 -17.267  -1.815   4.079
  291   2HB   GLU  41          2HB       GLU  41 -17.175  -3.547   3.979
  292   1HG   GLU  41          1HG       GLU  41 -16.733  -3.484   6.621
  293   2HG   GLU  41          2HG       GLU  41 -17.287  -1.822   6.537
  294    H    ASP  42           H        ASP  42 -14.348  -2.694   6.712
  295    HA   ASP  42           HA       ASP  42 -13.710   0.146   7.344
  296   1HB   ASP  42          1HB       ASP  42 -12.888  -2.551   8.579
  297   2HB   ASP  42          2HB       ASP  42 -12.265  -1.027   9.194
  298    H    ILE  43           H        ILE  43 -11.663  -2.580   6.275
  299    HA   ILE  43           HA       ILE  43  -9.179  -1.069   5.729
  300    HB   ILE  43           HB       ILE  43 -10.259  -3.673   4.562
  301   1HG1  ILE  43          1HG1      ILE  43  -7.779  -4.321   5.595
  302   2HG1  ILE  43          2HG1      ILE  43  -8.147  -2.971   6.634
  303   1HG2  ILE  43          1HG2      ILE  43  -8.951  -2.605   2.684
  304   2HG2  ILE  43          2HG2      ILE  43  -7.567  -2.339   3.763
  305   3HG2  ILE  43          3HG2      ILE  43  -8.065  -3.988   3.310
  306   1HD1  ILE  43          1HD1      ILE  43 -10.329  -4.026   7.364
  307   2HD1  ILE  43          2HD1      ILE  43  -9.910  -5.488   6.433
  308   3HD1  ILE  43          3HD1      ILE  43  -8.885  -4.973   7.790
  309    H    GLU  44           H        GLU  44 -12.170  -1.442   3.887
  310    HA   GLU  44           HA       GLU  44 -11.133  -0.303   1.316
  311   1HB   GLU  44          1HB       GLU  44 -13.697  -1.444   2.272
  312   2HB   GLU  44          2HB       GLU  44 -13.918  -0.113   1.178
  313   1HG   GLU  44          1HG       GLU  44 -11.932  -1.848  -0.076
  314   2HG   GLU  44          2HG       GLU  44 -13.183  -2.902   0.556
  315    H    ASP  45           H        ASP  45 -12.724   0.984   4.167
  316    HA   ASP  45           HA       ASP  45 -13.161   3.745   3.062
  317   1HB   ASP  45          1HB       ASP  45 -13.537   2.441   5.816
  318   2HB   ASP  45          2HB       ASP  45 -13.680   4.183   5.626
  319    H    LEU  46           H        LEU  46 -10.652   2.146   4.936
  320    HA   LEU  46           HA       LEU  46  -9.040   4.590   5.503
  321   1HB   LEU  46          1HB       LEU  46  -8.990   2.467   6.825
  322   2HB   LEU  46          2HB       LEU  46  -8.233   1.620   5.498
  323    HG   LEU  46           HG       LEU  46  -6.756   4.072   6.543
  324   1HD1  LEU  46          1HD1      LEU  46  -7.544   2.910   8.654
  325   2HD1  LEU  46          2HD1      LEU  46  -6.785   1.402   8.067
  326   3HD1  LEU  46          3HD1      LEU  46  -5.772   2.806   8.433
  327   1HD2  LEU  46          1HD2      LEU  46  -6.038   2.250   4.658
  328   2HD2  LEU  46          2HD2      LEU  46  -4.818   2.981   5.742
  329   3HD2  LEU  46          3HD2      LEU  46  -5.475   1.349   6.068
  330    H    MET  47           H        MET  47  -8.318   2.016   3.069
  331    HA   MET  47           HA       MET  47  -6.470   3.484   1.472
  332   1HB   MET  47          1HB       MET  47  -7.763   1.033   1.237
  333   2HB   MET  47          2HB       MET  47  -8.468   1.905  -0.114
  334   1HG   MET  47          1HG       MET  47  -5.418   1.957   0.183
  335   2HG   MET  47          2HG       MET  47  -6.226   0.535  -0.503
  336   1HE   MET  47          1HE       MET  47  -4.370   1.398  -2.355
  337   2HE   MET  47          2HE       MET  47  -5.747   0.406  -2.915
  338   3HE   MET  47          3HE       MET  47  -5.241   1.831  -3.867
  339    H    LYS  48           H        LYS  48 -10.006   3.821   1.465
  340    HA   LYS  48           HA       LYS  48 -10.044   5.877  -0.712
  341   1HB   LYS  48          1HB       LYS  48 -12.173   4.807   1.216
  342   2HB   LYS  48          2HB       LYS  48 -12.565   5.973  -0.011
  343   1HG   LYS  48          1HG       LYS  48 -11.279   3.223  -0.712
  344   2HG   LYS  48          2HG       LYS  48 -12.982   3.363  -0.407
  345   1HD   LYS  48          1HD       LYS  48 -12.363   5.459  -2.311
  346   2HD   LYS  48          2HD       LYS  48 -11.579   4.042  -2.925
  347   1HE   LYS  48          1HE       LYS  48 -13.930   2.809  -2.645
  348   2HE   LYS  48          2HE       LYS  48 -14.594   4.388  -2.265
  349   1HZ   LYS  48          1HZ       LYS  48 -13.201   4.977  -4.556
  350   2HZ   LYS  48          2HZ       LYS  48 -13.595   3.489  -4.933
  351   3HZ   LYS  48          3HZ       LYS  48 -14.786   4.589  -4.592
  352    H    ASP  49           H        ASP  49  -9.874   5.929   2.773
  353    HA   ASP  49           HA       ASP  49 -10.347   8.894   3.110
  354   1HB   ASP  49          1HB       ASP  49 -10.778   7.245   4.979
  355   2HB   ASP  49          2HB       ASP  49  -9.060   6.883   5.068
  356    H    SER  50           H        SER  50  -7.440   6.800   2.897
  357    HA   SER  50           HA       SER  50  -5.553   9.125   3.359
  358   1HB   SER  50          1HB       SER  50  -5.327   6.533   4.118
  359   2HB   SER  50          2HB       SER  50  -4.613   6.333   2.521
  360    HG   SER  50           HG       SER  50  -3.542   8.531   3.531
  361    H    ASP  51           H        ASP  51  -6.458   6.967   0.597
  362    HA   ASP  51           HA       ASP  51  -5.134   8.618  -1.422
  363   1HB   ASP  51          1HB       ASP  51  -6.152   6.166  -1.513
  364   2HB   ASP  51          2HB       ASP  51  -7.654   6.953  -1.978
  365    H    LYS  52           H        LYS  52  -6.481   9.718  -3.253
  366    HA   LYS  52           HA       LYS  52  -8.497  11.665  -2.163
  367   1HB   LYS  52          1HB       LYS  52  -6.181  13.130  -3.318
  368   2HB   LYS  52          2HB       LYS  52  -7.200  13.589  -1.989
  369   1HG   LYS  52          1HG       LYS  52  -5.285  13.191  -0.692
  370   2HG   LYS  52          2HG       LYS  52  -5.765  11.526  -0.777
  371   1HD   LYS  52          1HD       LYS  52  -3.710  11.081  -1.581
  372   2HD   LYS  52          2HD       LYS  52  -4.311  11.553  -3.136
  373   1HE   LYS  52          1HE       LYS  52  -3.107  13.742  -1.300
  374   2HE   LYS  52          2HE       LYS  52  -2.013  12.570  -2.032
  375   1HZ   LYS  52          1HZ       LYS  52  -3.346  13.228  -4.293
  376   2HZ   LYS  52          2HZ       LYS  52  -3.723  14.578  -3.457
  377   3HZ   LYS  52          3HZ       LYS  52  -2.193  14.278  -3.737
  378    H    ASN  53           H        ASN  53  -6.147  11.592  -4.874
  379    HA   ASN  53           HA       ASN  53  -8.026  12.500  -6.880
  380   1HB   ASN  53          1HB       ASN  53  -6.178  11.890  -8.534
  381   2HB   ASN  53          2HB       ASN  53  -5.638  12.857  -7.189
  382   1HD2  ASN  53          1HD2      ASN  53  -3.082  10.263  -7.521
  383   2HD2  ASN  53          2HD2      ASN  53  -3.664  11.761  -8.377
  384    H    ASN  54           H        ASN  54  -8.249   9.536  -5.480
  385    HA   ASN  54           HA       ASN  54  -9.162   7.390  -6.050
  386   1HB   ASN  54          1HB       ASN  54 -10.492   9.301  -8.083
  387   2HB   ASN  54          2HB       ASN  54 -10.921   7.615  -8.015
  388   1HD2  ASN  54          1HD2      ASN  54 -11.858   9.026  -4.385
  389   2HD2  ASN  54          2HD2      ASN  54 -10.123   8.804  -4.896
  390    H    ASP  55           H        ASP  55  -6.550   7.811  -7.130
  391    HA   ASP  55           HA       ASP  55  -6.453   5.885  -9.462
  392   1HB   ASP  55          1HB       ASP  55  -4.618   7.670  -8.624
  393   2HB   ASP  55          2HB       ASP  55  -4.106   6.366  -7.563
  394    H    GLY  56           H        GLY  56  -8.063   4.439  -8.528
  395   1HA   GLY  56          1HA       GLY  56  -7.992   3.071  -5.916
  396   2HA   GLY  56          2HA       GLY  56  -8.837   2.484  -7.354
  397    H    ARG  57           H        ARG  57  -5.928   2.573  -8.666
  398    HA   ARG  57           HA       ARG  57  -4.615   0.336  -7.018
  399   1HB   ARG  57          1HB       ARG  57  -3.363   0.479  -9.617
  400   2HB   ARG  57          2HB       ARG  57  -4.251  -0.857  -8.886
  401   1HG   ARG  57          1HG       ARG  57  -5.687   1.493 -10.306
  402   2HG   ARG  57          2HG       ARG  57  -5.089   0.100 -11.204
  403   1HD   ARG  57          1HD       ARG  57  -6.542  -1.434  -9.728
  404   2HD   ARG  57          2HD       ARG  57  -7.126  -0.005  -8.877
  405    HE   ARG  57           HE       ARG  57  -7.903   0.981 -11.181
  406   1HH1  ARG  57          2HH1      ARG  57  -7.683  -2.462 -10.852
  407   2HH1  ARG  57          1HH1      ARG  57  -8.919  -2.718 -12.192
  408   1HH2  ARG  57          1HH2      ARG  57  -9.288   0.664 -12.576
  409   2HH2  ARG  57          2HH2      ARG  57  -9.776  -1.011 -13.136
  410    H    ILE  58           H        ILE  58  -2.620   0.583  -6.277
  411    HA   ILE  58           HA       ILE  58  -1.441   3.383  -6.355
  412    HB   ILE  58           HB       ILE  58  -1.384   1.195  -4.222
  413   1HG1  ILE  58          1HG1      ILE  58  -2.570   4.053  -4.221
  414   2HG1  ILE  58          2HG1      ILE  58  -3.475   2.565  -4.272
  415   1HG2  ILE  58          1HG2      ILE  58   0.891   2.308  -4.200
  416   2HG2  ILE  58          2HG2      ILE  58   0.128   3.906  -4.076
  417   3HG2  ILE  58          3HG2      ILE  58  -0.015   2.727  -2.751
  418   1HD1  ILE  58          1HD1      ILE  58  -2.650   1.892  -1.970
  419   2HD1  ILE  58          2HD1      ILE  58  -1.826   3.467  -1.834
  420   3HD1  ILE  58          3HD1      ILE  58  -3.595   3.402  -1.990
  421    H    ASP  59           H        ASP  59   0.488   3.748  -7.335
  422    HA   ASP  59           HA       ASP  59   2.601   1.584  -7.409
  423   1HB   ASP  59          1HB       ASP  59   3.731   3.009  -9.053
  424   2HB   ASP  59          2HB       ASP  59   2.026   2.897  -9.465
  425    H    PHE  60           H        PHE  60   4.972   2.674  -7.197
  426    HA   PHE  60           HA       PHE  60   5.337   2.579  -4.261
  427   1HB   PHE  60          1HB       PHE  60   6.906   1.651  -6.075
  428   2HB   PHE  60          2HB       PHE  60   7.425   3.268  -6.413
  429    HD1  PHE  60           HD1      PHE  60   7.746   4.405  -3.554
  430    HD2  PHE  60           HD2      PHE  60   8.815   0.585  -5.201
  431    HE1  PHE  60           HE1      PHE  60   9.560   4.186  -1.894
  432    HE2  PHE  60           HE2      PHE  60  10.637   0.388  -3.568
  433    HZ   PHE  60           HZ       PHE  60  11.051   2.205  -1.940
  434    H    ASP  61           H        ASP  61   5.016   5.242  -6.449
  435    HA   ASP  61           HA       ASP  61   5.980   7.554  -4.879
  436   1HB   ASP  61          1HB       ASP  61   5.180   8.185  -7.024
  437   2HB   ASP  61          2HB       ASP  61   3.898   6.989  -7.040
  438    H    GLU  62           H        GLU  62   2.627   6.817  -5.307
  439    HA   GLU  62           HA       GLU  62   1.209   7.588  -2.968
  440   1HB   GLU  62          1HB       GLU  62   0.840   4.970  -4.491
  441   2HB   GLU  62          2HB       GLU  62  -0.297   5.592  -3.333
  442   1HG   GLU  62          1HG       GLU  62   0.388   7.489  -5.619
  443   2HG   GLU  62          2HG       GLU  62  -0.478   6.033  -6.071
  444    H    PHE  63           H        PHE  63   3.518   4.900  -3.060
  445    HA   PHE  63           HA       PHE  63   2.771   3.666  -0.416
  446   1HB   PHE  63          1HB       PHE  63   4.057   2.525  -2.325
  447   2HB   PHE  63          2HB       PHE  63   5.428   3.516  -1.964
  448    HD1  PHE  63           HD1      PHE  63   3.496   0.615  -0.568
  449    HD2  PHE  63           HD2      PHE  63   6.969   3.128  -0.190
  450    HE1  PHE  63           HE1      PHE  63   4.446  -0.919   1.110
  451    HE2  PHE  63           HE2      PHE  63   7.909   1.576   1.444
  452    HZ   PHE  63           HZ       PHE  63   6.639  -0.427   2.139
  453    H    LEU  64           H        LEU  64   5.495   5.740  -1.438
  454    HA   LEU  64           HA       LEU  64   6.620   6.461   1.078
  455   1HB   LEU  64          1HB       LEU  64   6.391   8.076  -1.508
  456   2HB   LEU  64          2HB       LEU  64   7.262   8.712  -0.136
  457    HG   LEU  64           HG       LEU  64   7.983   5.975  -1.333
  458   1HD1  LEU  64          1HD1      LEU  64   8.994   8.760  -2.236
  459   2HD1  LEU  64          2HD1      LEU  64   9.756   7.208  -2.675
  460   3HD1  LEU  64          3HD1      LEU  64   8.103   7.548  -3.195
  461   1HD2  LEU  64          1HD2      LEU  64   9.605   8.017   0.358
  462   2HD2  LEU  64          2HD2      LEU  64   9.050   6.398   0.873
  463   3HD2  LEU  64          3HD2      LEU  64  10.282   6.547  -0.387
  464    H    LYS  65           H        LYS  65   3.755   7.989  -0.374
  465    HA   LYS  65           HA       LYS  65   3.460   9.926   1.929
  466   1HB   LYS  65          1HB       LYS  65   1.758  10.889   0.430
  467   2HB   LYS  65          2HB       LYS  65   3.286  10.666  -0.401
  468   1HG   LYS  65          1HG       LYS  65   2.229   8.573  -1.529
  469   2HG   LYS  65          2HG       LYS  65   0.716   8.959  -0.686
  470   1HD   LYS  65          1HD       LYS  65   0.718   9.901  -2.990
  471   2HD   LYS  65          2HD       LYS  65   0.524  11.170  -1.777
  472   1HE   LYS  65          1HE       LYS  65   3.370  10.616  -2.765
  473   2HE   LYS  65          2HE       LYS  65   2.234  11.235  -3.978
  474   1HZ   LYS  65          1HZ       LYS  65   1.617  13.055  -2.199
  475   2HZ   LYS  65          2HZ       LYS  65   2.981  12.629  -1.377
  476   3HZ   LYS  65          3HZ       LYS  65   3.057  13.218  -2.895
  477    H    MET  66           H        MET  66   1.372   7.278   0.541
  478    HA   MET  66           HA       MET  66  -0.429   6.866   2.655
  479   1HB   MET  66          1HB       MET  66  -0.159   5.541   0.453
  480   2HB   MET  66          2HB       MET  66   1.058   4.569   1.254
  481   1HG   MET  66          1HG       MET  66  -0.566   3.703   2.924
  482   2HG   MET  66          2HG       MET  66  -1.851   4.745   2.282
  483   1HE   MET  66          1HE       MET  66   0.426   1.640   1.803
  484   2HE   MET  66          2HE       MET  66   0.188   1.200   0.086
  485   3HE   MET  66          3HE       MET  66   1.062   2.704   0.509
  486    H    MET  67           H        MET  67   2.984   5.828   2.765
  487    HA   MET  67           HA       MET  67   2.933   4.815   5.565
  488   1HB   MET  67          1HB       MET  67   5.120   5.636   3.594
  489   2HB   MET  67          2HB       MET  67   5.533   5.554   5.295
  490   1HG   MET  67          1HG       MET  67   4.398   3.108   5.201
  491   2HG   MET  67          2HG       MET  67   4.738   3.243   3.464
  492   1HE   MET  67          1HE       MET  67   5.575   1.230   5.415
  493   2HE   MET  67          2HE       MET  67   6.860   0.891   4.214
  494   3HE   MET  67          3HE       MET  67   7.293   1.170   5.928
  495    H    GLU  68           H        GLU  68   4.393   7.842   4.297
  496    HA   GLU  68           HA       GLU  68   3.637   9.311   6.823
  497   1HB   GLU  68          1HB       GLU  68   6.144  10.218   6.848
  498   2HB   GLU  68          2HB       GLU  68   5.602   8.861   7.786
  499   1HG   GLU  68          1HG       GLU  68   6.483   7.411   5.644
  500   2HG   GLU  68          2HG       GLU  68   7.420   8.857   5.311
  501    H    GLY  69           H        GLY  69   2.392   9.815   4.567
  502   1HA   GLY  69          1HA       GLY  69   3.288  12.639   3.739
  503   2HA   GLY  69          2HA       GLY  69   1.905  11.793   3.035
  504    H    VAL  70           H        VAL  70   2.145  11.560   6.480
  505    HA   VAL  70           HA       VAL  70   0.124  13.743   7.071
  506    HB   VAL  70           HB       VAL  70   0.601  11.450   8.407
  507   1HG1  VAL  70          1HG1      VAL  70   2.359  13.495   9.942
  508   2HG1  VAL  70          2HG1      VAL  70   1.818  11.925  10.588
  509   3HG1  VAL  70          3HG1      VAL  70   2.915  11.973   9.206
  510   1HG2  VAL  70          1HG2      VAL  70  -1.303  13.038   8.900
  511   2HG2  VAL  70          2HG2      VAL  70  -0.600  12.415  10.385
  512   3HG2  VAL  70          3HG2      VAL  70  -0.222  14.080   9.851
  513    H    GLN  71           H        GLN  71   0.692  15.776   8.031
  514    HA   GLN  71           HA       GLN  71   2.935  16.931   6.442
  515   1HB   GLN  71          1HB       GLN  71   1.397  18.572   8.473
  516   2HB   GLN  71          2HB       GLN  71   1.970  19.011   6.865
  517   1HG   GLN  71          1HG       GLN  71  -0.486  17.314   7.634
  518   2HG   GLN  71          2HG       GLN  71  -0.485  18.814   6.726
  519   1HE2  GLN  71          1HE2      GLN  71  -1.115  16.252   4.212
  520   2HE2  GLN  71          2HE2      GLN  71  -1.939  17.199   5.570
  521   1HN   NH2  72          1HN       NH2  72   5.040  16.513   7.114
  522   2HN   NH2  72          2HN       NH2  72   5.662  16.874   8.746
   
  No H/Q in entry =         522
  Start of MODEL    2
    1   1H    ACE   1          1HH3      ACE   1  17.910  12.361  -2.166
    2   2H    ACE   1          2HH3      ACE   1  18.733  12.762  -0.617
    3   3H    ACE   1          3HH3      ACE   1  19.682  12.274  -2.050
    4    H    LYS   2           H        LYS   2  16.949  10.974  -0.143
    5    HA   LYS   2           HA       LYS   2  18.711   8.939   1.003
    6   1HB   LYS   2          1HB       LYS   2  17.140   9.835   2.486
    7   2HB   LYS   2          2HB       LYS   2  15.769   9.671   1.411
    8   1HG   LYS   2          1HG       LYS   2  15.518   7.284   1.977
    9   2HG   LYS   2          2HG       LYS   2  17.190   7.134   2.455
   10   1HD   LYS   2          1HD       LYS   2  16.338   8.973   4.368
   11   2HD   LYS   2          2HD       LYS   2  14.809   8.148   4.059
   12   1HE   LYS   2          1HE       LYS   2  15.595   6.019   4.752
   13   2HE   LYS   2          2HE       LYS   2  17.308   6.390   4.482
   14   1HZ   LYS   2          1HZ       LYS   2  15.681   7.919   6.529
   15   2HZ   LYS   2          2HZ       LYS   2  16.297   6.556   6.990
   16   3HZ   LYS   2          3HZ       LYS   2  17.295   7.809   6.545
   17    H    SER   3           H        SER   3  18.741   6.724   0.836
   18    HA   SER   3           HA       SER   3  18.481   5.443  -1.791
   19   1HB   SER   3          1HB       SER   3  19.891   4.865   0.351
   20   2HB   SER   3          2HB       SER   3  18.504   3.948   0.889
   21    HG   SER   3           HG       SER   3  19.792   3.654  -1.662
   22    H    GLU   4           H        GLU   4  16.878   4.577  -2.843
   23    HA   GLU   4           HA       GLU   4  14.214   3.945  -1.484
   24   1HB   GLU   4          1HB       GLU   4  14.777   4.651  -4.346
   25   2HB   GLU   4          2HB       GLU   4  13.533   3.479  -3.982
   26   1HG   GLU   4          1HG       GLU   4  12.097   5.294  -3.864
   27   2HG   GLU   4          2HG       GLU   4  12.793   5.632  -2.283
   28    H    GLU   5           H        GLU   5  16.992   2.445  -1.757
   29    HA   GLU   5           HA       GLU   5  16.527   0.164  -3.438
   30   1HB   GLU   5          1HB       GLU   5  18.733   0.496  -3.233
   31   2HB   GLU   5          2HB       GLU   5  18.660   1.048  -1.587
   32   1HG   GLU   5          1HG       GLU   5  19.800  -0.918  -1.119
   33   2HG   GLU   5          2HG       GLU   5  18.224  -1.687  -1.165
   34    H    GLU   6           H        GLU   6  16.360   0.145   0.137
   35    HA   GLU   6           HA       GLU   6  15.414  -2.598   0.326
   36   1HB   GLU   6          1HB       GLU   6  15.681  -2.409   2.537
   37   2HB   GLU   6          2HB       GLU   6  16.589  -1.001   2.076
   38   1HG   GLU   6          1HG       GLU   6  14.522   0.461   2.643
   39   2HG   GLU   6          2HG       GLU   6  13.695  -0.981   3.201
   40    H    LEU   7           H        LEU   7  13.515   0.400   0.531
   41    HA   LEU   7           HA       LEU   7  10.797  -0.862   0.689
   42   1HB   LEU   7          1HB       LEU   7  11.744   1.924  -0.170
   43   2HB   LEU   7          2HB       LEU   7  10.061   1.457  -0.191
   44    HG   LEU   7           HG       LEU   7  11.400   2.668   1.945
   45   1HD1  LEU   7          1HD1      LEU   7   8.958   2.761   1.477
   46   2HD1  LEU   7          2HD1      LEU   7   8.749   1.071   2.005
   47   3HD1  LEU   7          3HD1      LEU   7   9.243   2.328   3.169
   48   1HD2  LEU   7          1HD2      LEU   7  10.957  -0.319   2.691
   49   2HD2  LEU   7          2HD2      LEU   7  12.507   0.568   2.706
   50   3HD2  LEU   7          3HD2      LEU   7  11.241   1.000   3.858
   51    H    ALA   8           H        ALA   8  12.920   0.133  -2.016
   52    HA   ALA   8           HA       ALA   8  11.309  -0.633  -4.230
   53   1HB   ALA   8          1HB       ALA   8  14.365  -0.938  -3.852
   54   2HB   ALA   8          2HB       ALA   8  13.521  -0.962  -5.413
   55   3HB   ALA   8          3HB       ALA   8  13.496   0.504  -4.426
   56    H    ASN   9           H        ASN   9  13.908  -3.001  -3.367
   57    HA   ASN   9           HA       ASN   9  12.858  -5.469  -3.854
   58   1HB   ASN   9          1HB       ASN   9  13.903  -4.831  -1.010
   59   2HB   ASN   9          2HB       ASN   9  13.960  -6.372  -1.818
   60   1HD2  ASN   9          1HD2      ASN   9  16.650  -5.041  -4.042
   61   2HD2  ASN   9          2HD2      ASN   9  14.998  -5.760  -4.303
   62    H    ALA  10           H        ALA  10  11.812  -3.882  -0.802
   63    HA   ALA  10           HA       ALA  10   9.852  -5.916   0.034
   64   1HB   ALA  10          1HB       ALA  10  10.941  -4.239   1.539
   65   2HB   ALA  10          2HB       ALA  10  10.053  -2.909   0.751
   66   3HB   ALA  10          3HB       ALA  10   9.173  -4.151   1.668
   67    H    PHE  11           H        PHE  11   9.431  -2.984  -1.968
   68    HA   PHE  11           HA       PHE  11   6.533  -3.192  -2.321
   69   1HB   PHE  11          1HB       PHE  11   7.897  -1.130  -2.694
   70   2HB   PHE  11          2HB       PHE  11   8.659  -1.847  -4.073
   71    HD1  PHE  11           HD1      PHE  11   4.932  -1.963  -3.335
   72    HD2  PHE  11           HD2      PHE  11   8.051  -0.452  -5.884
   73    HE1  PHE  11           HE1      PHE  11   3.251  -0.851  -4.754
   74    HE2  PHE  11           HE2      PHE  11   6.358   0.660  -7.281
   75    HZ   PHE  11           HZ       PHE  11   3.971   0.515  -6.690
   76    H    ARG  12           H        ARG  12   9.132  -4.313  -4.532
   77    HA   ARG  12           HA       ARG  12   7.327  -5.808  -6.284
   78   1HB   ARG  12          1HB       ARG  12   9.298  -6.694  -7.370
   79   2HB   ARG  12          2HB       ARG  12   9.584  -5.001  -6.984
   80   1HG   ARG  12          1HG       ARG  12  11.174  -5.514  -5.259
   81   2HG   ARG  12          2HG       ARG  12  10.545  -7.146  -4.998
   82   1HD   ARG  12          1HD       ARG  12  11.349  -7.539  -7.561
   83   2HD   ARG  12          2HD       ARG  12  12.403  -6.139  -7.215
   84    HE   ARG  12           HE       ARG  12  12.391  -8.337  -5.114
   85   1HH1  ARG  12          2HH1      ARG  12  14.087  -6.933  -7.790
   86   2HH1  ARG  12          1HH1      ARG  12  15.645  -7.787  -7.356
   87   1HH2  ARG  12          1HH2      ARG  12  14.142  -9.272  -4.638
   88   2HH2  ARG  12          2HH2      ARG  12  15.655  -9.056  -5.635
   89    H    ILE  13           H        ILE  13   8.901  -6.739  -3.293
   90    HA   ILE  13           HA       ILE  13   8.468  -9.693  -3.465
   91    HB   ILE  13           HB       ILE  13   9.077  -7.835  -1.110
   92   1HG1  ILE  13          1HG1      ILE  13  10.956  -8.492  -2.860
   93   2HG1  ILE  13          2HG1      ILE  13  11.309  -8.552  -1.154
   94   1HG2  ILE  13          1HG2      ILE  13   7.726  -9.764  -0.196
   95   2HG2  ILE  13          2HG2      ILE  13   8.808 -10.931  -0.992
   96   3HG2  ILE  13          3HG2      ILE  13   9.392  -9.906   0.334
   97   1HD1  ILE  13          1HD1      ILE  13  10.964 -11.043  -1.067
   98   2HD1  ILE  13          2HD1      ILE  13  10.661 -11.057  -2.822
   99   3HD1  ILE  13          3HD1      ILE  13  12.247 -10.560  -2.199
  100    H    PHE  14           H        PHE  14   6.602  -6.930  -2.322
  101    HA   PHE  14           HA       PHE  14   4.337  -8.418  -1.009
  102   1HB   PHE  14          1HB       PHE  14   4.584  -5.548  -2.127
  103   2HB   PHE  14          2HB       PHE  14   3.123  -6.159  -1.424
  104    HD1  PHE  14           HD1      PHE  14   5.085  -7.847   0.701
  105    HD2  PHE  14           HD2      PHE  14   4.369  -3.734  -0.310
  106    HE1  PHE  14           HE1      PHE  14   5.795  -7.163   2.958
  107    HE2  PHE  14           HE2      PHE  14   5.101  -3.055   1.941
  108    HZ   PHE  14           HZ       PHE  14   5.842  -4.759   3.569
  109    H    ASP  15           H        ASP  15   4.248  -6.438  -4.016
  110    HA   ASP  15           HA       ASP  15   2.178  -7.920  -5.343
  111   1HB   ASP  15          1HB       ASP  15   2.838  -5.613  -5.930
  112   2HB   ASP  15          2HB       ASP  15   4.410  -6.140  -6.509
  113    H    LYS  16           H        LYS  16   2.243 -10.124  -5.703
  114    HA   LYS  16           HA       LYS  16   4.907 -11.496  -5.542
  115   1HB   LYS  16          1HB       LYS  16   2.073 -12.292  -5.139
  116   2HB   LYS  16          2HB       LYS  16   2.926 -13.491  -6.071
  117   1HG   LYS  16          1HG       LYS  16   4.073 -12.432  -3.400
  118   2HG   LYS  16          2HG       LYS  16   2.764 -13.607  -3.401
  119   1HD   LYS  16          1HD       LYS  16   5.504 -14.040  -4.767
  120   2HD   LYS  16          2HD       LYS  16   5.067 -14.606  -3.156
  121   1HE   LYS  16          1HE       LYS  16   3.284 -15.523  -5.439
  122   2HE   LYS  16          2HE       LYS  16   4.872 -16.296  -5.259
  123   1HZ   LYS  16          1HZ       LYS  16   3.216 -15.890  -2.768
  124   2HZ   LYS  16          2HZ       LYS  16   2.754 -17.071  -3.790
  125   3HZ   LYS  16          3HZ       LYS  16   4.240 -17.146  -3.092
  126    H    ASN  17           H        ASN  17   2.418 -10.865  -7.990
  127    HA   ASN  17           HA       ASN  17   3.836 -12.266 -10.156
  128   1HB   ASN  17          1HB       ASN  17   1.478 -10.312 -10.142
  129   2HB   ASN  17          2HB       ASN  17   2.114 -10.949 -11.634
  130   1HD2  ASN  17          1HD2      ASN  17  -0.734 -13.063 -10.825
  131   2HD2  ASN  17          2HD2      ASN  17  -0.517 -11.294 -11.027
  132    H    ALA  18           H        ALA  18   3.426  -8.749  -9.558
  133    HA   ALA  18           HA       ALA  18   5.140  -7.062  -9.517
  134   1HB   ALA  18          1HB       ALA  18   6.501  -9.023  -8.696
  135   2HB   ALA  18          2HB       ALA  18   6.913  -9.432 -10.376
  136   3HB   ALA  18          3HB       ALA  18   7.487  -7.907  -9.681
  137    H    ASP  19           H        ASP  19   3.674  -6.596 -11.633
  138    HA   ASP  19           HA       ASP  19   5.520  -5.876 -13.929
  139   1HB   ASP  19          1HB       ASP  19   2.802  -4.566 -13.665
  140   2HB   ASP  19          2HB       ASP  19   3.606  -5.215 -15.087
  141    H    GLY  20           H        GLY  20   4.473  -4.487 -10.911
  142   1HA   GLY  20          1HA       GLY  20   6.382  -2.411 -10.451
  143   2HA   GLY  20          2HA       GLY  20   5.267  -1.676 -11.612
  144    H    TYR  21           H        TYR  21   3.053  -3.380 -10.199
  145    HA   TYR  21           HA       TYR  21   2.268  -0.885  -8.583
  146   1HB   TYR  21          1HB       TYR  21   0.472  -2.702 -10.317
  147   2HB   TYR  21          2HB       TYR  21  -0.064  -1.308  -9.425
  148    HD1  TYR  21           HD1      TYR  21   2.821  -1.909 -11.819
  149    HD2  TYR  21           HD2      TYR  21  -0.576   0.532 -10.818
  150    HE1  TYR  21           HE1      TYR  21   3.308  -0.432 -13.729
  151    HE2  TYR  21           HE2      TYR  21  -0.077   1.983 -12.757
  152    HH   TYR  21           HH       TYR  21   1.299   1.347 -15.188
  153    H    ILE  22           H        ILE  22   0.957  -1.046  -6.755
  154    HA   ILE  22           HA       ILE  22  -0.016  -3.816  -5.854
  155    HB   ILE  22           HB       ILE  22  -0.243  -1.310  -4.132
  156   1HG1  ILE  22          1HG1      ILE  22   2.298  -2.795  -4.712
  157   2HG1  ILE  22          2HG1      ILE  22   2.060  -1.196  -4.060
  158   1HG2  ILE  22          1HG2      ILE  22  -1.584  -3.333  -3.397
  159   2HG2  ILE  22          2HG2      ILE  22  -0.111  -4.322  -3.367
  160   3HG2  ILE  22          3HG2      ILE  22  -0.331  -2.975  -2.221
  161   1HD1  ILE  22          1HD1      ILE  22   1.519  -2.154  -1.762
  162   2HD1  ILE  22          2HD1      ILE  22   1.960  -3.767  -2.380
  163   3HD1  ILE  22          3HD1      ILE  22   3.176  -2.473  -2.334
  164    H    ASP  23           H        ASP  23  -2.194  -4.241  -5.635
  165    HA   ASP  23           HA       ASP  23  -4.201  -2.097  -6.466
  166   1HB   ASP  23          1HB       ASP  23  -5.672  -4.306  -6.788
  167   2HB   ASP  23          2HB       ASP  23  -4.464  -3.851  -7.981
  168    H    ILE  24           H        ILE  24  -6.456  -2.464  -5.534
  169    HA   ILE  24           HA       ILE  24  -6.376  -1.945  -2.568
  170    HB   ILE  24           HB       ILE  24  -8.060  -0.989  -4.434
  171   1HG1  ILE  24          1HG1      ILE  24  -8.515  -1.390  -1.441
  172   2HG1  ILE  24          2HG1      ILE  24  -8.207   0.080  -2.325
  173   1HG2  ILE  24          1HG2      ILE  24  -9.178  -3.200  -4.983
  174   2HG2  ILE  24          2HG2      ILE  24  -9.691  -3.375  -3.293
  175   3HG2  ILE  24          3HG2      ILE  24 -10.347  -2.073  -4.317
  176   1HD1  ILE  24          1HD1      ILE  24 -10.536   0.010  -3.352
  177   2HD1  ILE  24          2HD1      ILE  24 -10.918  -1.366  -2.288
  178   3HD1  ILE  24          3HD1      ILE  24 -10.509   0.211  -1.580
  179    H    GLU  25           H        GLU  25  -6.813  -4.705  -4.635
  180    HA   GLU  25           HA       GLU  25  -8.113  -6.479  -2.596
  181   1HB   GLU  25          1HB       GLU  25  -7.021  -6.969  -5.385
  182   2HB   GLU  25          2HB       GLU  25  -7.426  -8.311  -4.359
  183   1HG   GLU  25          1HG       GLU  25  -9.454  -8.105  -5.530
  184   2HG   GLU  25          2HG       GLU  25  -9.850  -7.060  -4.177
  185    H    GLU  26           H        GLU  26  -4.820  -5.842  -3.629
  186    HA   GLU  26           HA       GLU  26  -3.597  -7.944  -1.870
  187   1HB   GLU  26          1HB       GLU  26  -2.385  -5.788  -3.640
  188   2HB   GLU  26          2HB       GLU  26  -1.395  -6.726  -2.564
  189   1HG   GLU  26          1HG       GLU  26  -1.816  -8.810  -3.804
  190   2HG   GLU  26          2HG       GLU  26  -3.178  -8.127  -4.672
  191    H    LEU  27           H        LEU  27  -4.363  -4.566  -1.525
  192    HA   LEU  27           HA       LEU  27  -2.382  -3.766   0.422
  193   1HB   LEU  27          1HB       LEU  27  -3.687  -2.199  -0.957
  194   2HB   LEU  27          2HB       LEU  27  -5.172  -2.614  -0.140
  195    HG   LEU  27           HG       LEU  27  -2.973  -1.538   1.651
  196   1HD1  LEU  27          1HD1      LEU  27  -2.718  -0.104  -0.376
  197   2HD1  LEU  27          2HD1      LEU  27  -4.456   0.308  -0.348
  198   3HD1  LEU  27          3HD1      LEU  27  -3.371   0.813   0.980
  199   1HD2  LEU  27          1HD2      LEU  27  -6.008  -0.885   1.443
  200   2HD2  LEU  27          2HD2      LEU  27  -5.253  -2.023   2.600
  201   3HD2  LEU  27          3HD2      LEU  27  -4.880  -0.298   2.697
  202    H    GLY  28           H        GLY  28  -5.754  -4.739   1.132
  203   1HA   GLY  28          1HA       GLY  28  -5.529  -4.625   4.039
  204   2HA   GLY  28          2HA       GLY  28  -6.810  -5.479   3.170
  205    H    GLU  29           H        GLU  29  -5.067  -7.398   1.869
  206    HA   GLU  29           HA       GLU  29  -4.925  -9.494   4.001
  207   1HB   GLU  29          1HB       GLU  29  -4.408  -9.489   1.018
  208   2HB   GLU  29          2HB       GLU  29  -3.827 -10.819   1.973
  209   1HG   GLU  29          1HG       GLU  29  -6.185 -11.390   2.693
  210   2HG   GLU  29          2HG       GLU  29  -6.815  -9.978   1.865
  211    H    ILE  30           H        ILE  30  -2.539  -7.564   2.249
  212    HA   ILE  30           HA       ILE  30  -0.061  -8.563   3.570
  213    HB   ILE  30           HB       ILE  30  -0.783  -5.929   2.217
  214   1HG1  ILE  30          1HG1      ILE  30  -0.176  -7.667   0.600
  215   2HG1  ILE  30          2HG1      ILE  30   1.114  -6.496   0.662
  216   1HG2  ILE  30          1HG2      ILE  30   0.716  -5.283   4.139
  217   2HG2  ILE  30          2HG2      ILE  30   1.921  -6.495   3.632
  218   3HG2  ILE  30          3HG2      ILE  30   1.558  -5.078   2.607
  219   1HD1  ILE  30          1HD1      ILE  30   1.326  -9.246   2.062
  220   2HD1  ILE  30          2HD1      ILE  30   2.077  -8.751   0.530
  221   3HD1  ILE  30          3HD1      ILE  30   2.565  -7.964   2.045
  222    H    LEU  31           H        LEU  31  -2.112  -5.710   4.325
  223    HA   LEU  31           HA       LEU  31  -0.471  -4.992   6.706
  224   1HB   LEU  31          1HB       LEU  31  -1.889  -3.103   6.992
  225   2HB   LEU  31          2HB       LEU  31  -1.643  -3.294   5.273
  226    HG   LEU  31           HG       LEU  31  -4.016  -4.639   5.436
  227   1HD1  LEU  31          1HD1      LEU  31  -4.098  -2.658   7.811
  228   2HD1  LEU  31          2HD1      LEU  31  -5.517  -3.455   7.082
  229   3HD1  LEU  31          3HD1      LEU  31  -4.273  -4.434   7.866
  230   1HD2  LEU  31          1HD2      LEU  31  -3.713  -1.551   5.346
  231   2HD2  LEU  31          2HD2      LEU  31  -3.708  -2.666   3.952
  232   3HD2  LEU  31          3HD2      LEU  31  -5.188  -2.443   4.890
  233    H    ARG  32           H        ARG  32  -3.259  -7.010   6.311
  234    HA   ARG  32           HA       ARG  32  -3.859  -7.068   9.287
  235   1HB   ARG  32          1HB       ARG  32  -5.471  -6.681   7.280
  236   2HB   ARG  32          2HB       ARG  32  -5.354  -8.408   6.948
  237   1HG   ARG  32          1HG       ARG  32  -6.023  -7.655   9.817
  238   2HG   ARG  32          2HG       ARG  32  -7.216  -7.157   8.604
  239   1HD   ARG  32          1HD       ARG  32  -8.049  -9.298   8.524
  240   2HD   ARG  32          2HD       ARG  32  -6.489  -9.874   7.895
  241    HE   ARG  32           HE       ARG  32  -5.796 -10.507  10.171
  242   1HH1  ARG  32          2HH1      ARG  32  -8.925  -8.998  10.242
  243   2HH1  ARG  32          1HH1      ARG  32  -9.252  -9.587  11.941
  244   1HH2  ARG  32          1HH2      ARG  32  -6.204 -11.159  12.080
  245   2HH2  ARG  32          2HH2      ARG  32  -7.764 -10.731  12.919
  246    H    ALA  33           H        ALA  33  -2.728  -9.355   6.750
  247    HA   ALA  33           HA       ALA  33  -2.171 -11.584   8.540
  248   1HB   ALA  33          1HB       ALA  33  -2.341 -11.759   6.062
  249   2HB   ALA  33          2HB       ALA  33  -0.851 -10.797   5.858
  250   3HB   ALA  33          3HB       ALA  33  -0.787 -12.401   6.620
  251    H    THR  34           H        THR  34  -0.571 -12.131   9.861
  252    HA   THR  34           HA       THR  34   2.093 -10.707   9.906
  253    HB   THR  34           HB       THR  34   1.828 -10.506  12.542
  254    HG1  THR  34           HG1      THR  34  -0.358 -11.338  12.477
  255   1HG2  THR  34          2HG2      THR  34   2.151  -8.581  10.852
  256   2HG2  THR  34          3HG2      THR  34   0.378  -8.473  10.701
  257   3HG2  THR  34          1HG2      THR  34   1.153  -8.122  12.255
  258    H    GLY  35           H        GLY  35   0.030 -13.307  11.348
  259   1HA   GLY  35          1HA       GLY  35   2.573 -14.761  12.269
  260   2HA   GLY  35          2HA       GLY  35   1.272 -14.508  13.438
  261   1HN   NH2  36          1HN       NH2  36  -0.810 -15.655  13.186
  262   2HN   NH2  36          2HN       NH2  36  -0.890 -17.148  12.213
  263   1H    ACE  37          1HH3      ACE  37 -13.725  -5.788  13.768
  264   2H    ACE  37          2HH3      ACE  37 -13.072  -7.461  13.848
  265   3H    ACE  37          3HH3      ACE  37 -12.214  -6.122  14.656
  266    H    VAL  38           H        VAL  38 -13.288  -7.199  11.441
  267    HA   VAL  38           HA       VAL  38 -11.728  -5.128  10.006
  268    HB   VAL  38           HB       VAL  38 -10.148  -7.336  10.580
  269   1HG1  VAL  38          1HG1      VAL  38 -11.196  -7.729   7.681
  270   2HG1  VAL  38          2HG1      VAL  38  -9.725  -8.495   8.324
  271   3HG1  VAL  38          3HG1      VAL  38 -11.302  -8.896   9.012
  272   1HG2  VAL  38          1HG2      VAL  38  -9.289  -5.101   9.754
  273   2HG2  VAL  38          2HG2      VAL  38  -8.554  -6.434   8.837
  274   3HG2  VAL  38          3HG2      VAL  38  -9.871  -5.476   8.117
  275    H    THR  39           H        THR  39 -12.845  -4.622   8.268
  276    HA   THR  39           HA       THR  39 -14.323  -6.711   6.655
  277    HB   THR  39           HB       THR  39 -16.300  -5.084   6.277
  278    HG1  THR  39           HG1      THR  39 -15.796  -4.234   8.899
  279   1HG2  THR  39          2HG2      THR  39 -15.955  -6.414   9.058
  280   2HG2  THR  39          3HG2      THR  39 -17.509  -5.942   8.327
  281   3HG2  THR  39          1HG2      THR  39 -16.528  -7.220   7.579
  282    H    GLU  40           H        GLU  40 -15.164  -5.457   4.560
  283    HA   GLU  40           HA       GLU  40 -12.751  -4.433   3.129
  284   1HB   GLU  40          1HB       GLU  40 -15.053  -5.760   2.348
  285   2HB   GLU  40          2HB       GLU  40 -15.389  -4.159   1.765
  286   1HG   GLU  40          1HG       GLU  40 -13.318  -6.156   0.789
  287   2HG   GLU  40          2HG       GLU  40 -14.333  -5.070  -0.142
  288    H    GLU  41           H        GLU  41 -15.677  -2.914   4.422
  289    HA   GLU  41           HA       GLU  41 -15.418  -0.325   3.294
  290   1HB   GLU  41          1HB       GLU  41 -17.105   0.408   4.678
  291   2HB   GLU  41          2HB       GLU  41 -17.391  -1.301   4.547
  292   1HG   GLU  41          1HG       GLU  41 -16.852  -1.716   6.866
  293   2HG   GLU  41          2HG       GLU  41 -15.874  -0.269   7.022
  294    H    ASP  42           H        ASP  42 -13.486  -1.546   5.907
  295    HA   ASP  42           HA       ASP  42 -12.526   1.174   6.861
  296   1HB   ASP  42          1HB       ASP  42 -12.136  -1.710   7.790
  297   2HB   ASP  42          2HB       ASP  42 -10.942  -0.510   8.264
  298    H    ILE  43           H        ILE  43 -10.909  -1.713   5.415
  299    HA   ILE  43           HA       ILE  43  -8.581  -0.437   4.344
  300    HB   ILE  43           HB       ILE  43 -10.189  -2.799   3.348
  301   1HG1  ILE  43          1HG1      ILE  43  -8.200  -4.127   3.800
  302   2HG1  ILE  43          2HG1      ILE  43  -7.161  -2.729   3.863
  303   1HG2  ILE  43          1HG2      ILE  43  -9.512  -1.701   1.177
  304   2HG2  ILE  43          2HG2      ILE  43  -7.826  -1.604   1.720
  305   3HG2  ILE  43          3HG2      ILE  43  -8.592  -3.181   1.405
  306   1HD1  ILE  43          1HD1      ILE  43  -8.238  -1.927   6.009
  307   2HD1  ILE  43          2HD1      ILE  43  -9.209  -3.423   6.056
  308   3HD1  ILE  43          3HD1      ILE  43  -7.437  -3.509   6.145
  309    H    GLU  44           H        GLU  44 -11.861  -0.302   3.028
  310    HA   GLU  44           HA       GLU  44 -11.153   1.155   0.508
  311   1HB   GLU  44          1HB       GLU  44 -13.637   0.090   1.742
  312   2HB   GLU  44          2HB       GLU  44 -13.883   1.572   0.870
  313   1HG   GLU  44          1HG       GLU  44 -12.301  -0.493  -0.685
  314   2HG   GLU  44          2HG       GLU  44 -13.929  -0.997  -0.270
  315    H    ASP  45           H        ASP  45 -12.011   2.085   3.763
  316    HA   ASP  45           HA       ASP  45 -12.309   5.031   3.319
  317   1HB   ASP  45          1HB       ASP  45 -11.897   3.224   5.758
  318   2HB   ASP  45          2HB       ASP  45 -11.706   4.963   5.925
  319    H    LEU  46           H        LEU  46  -9.591   2.969   4.369
  320    HA   LEU  46           HA       LEU  46  -7.421   4.986   4.427
  321   1HB   LEU  46          1HB       LEU  46  -7.262   2.675   5.330
  322   2HB   LEU  46          2HB       LEU  46  -7.340   1.991   3.724
  323    HG   LEU  46           HG       LEU  46  -5.033   3.811   4.677
  324   1HD1  LEU  46          1HD1      LEU  46  -5.421   1.440   5.815
  325   2HD1  LEU  46          2HD1      LEU  46  -4.783   0.795   4.296
  326   3HD1  LEU  46          3HD1      LEU  46  -3.776   1.894   5.284
  327   1HD2  LEU  46          1HD2      LEU  46  -5.743   2.732   2.025
  328   2HD2  LEU  46          2HD2      LEU  46  -4.408   3.840   2.453
  329   3HD2  LEU  46          3HD2      LEU  46  -4.196   2.067   2.552
  330    H    MET  47           H        MET  47  -8.251   2.827   1.710
  331    HA   MET  47           HA       MET  47  -6.375   3.907  -0.167
  332   1HB   MET  47          1HB       MET  47  -7.250   1.788  -0.712
  333   2HB   MET  47          2HB       MET  47  -8.920   2.278  -0.483
  334   1HG   MET  47          1HG       MET  47  -8.457   1.937  -2.912
  335   2HG   MET  47          2HG       MET  47  -8.909   3.621  -2.592
  336   1HE   MET  47          1HE       MET  47  -6.179   1.065  -3.451
  337   2HE   MET  47          2HE       MET  47  -6.944   1.828  -4.875
  338   3HE   MET  47          3HE       MET  47  -5.201   2.079  -4.568
  339    H    LYS  48           H        LYS  48  -9.846   4.786   0.104
  340    HA   LYS  48           HA       LYS  48  -9.913   6.707  -2.200
  341   1HB   LYS  48          1HB       LYS  48 -11.732   5.624  -0.124
  342   2HB   LYS  48          2HB       LYS  48 -12.056   7.309  -0.394
  343   1HG   LYS  48          1HG       LYS  48 -13.233   5.261  -1.839
  344   2HG   LYS  48          2HG       LYS  48 -13.075   6.878  -2.447
  345   1HD   LYS  48          1HD       LYS  48 -11.085   6.402  -3.754
  346   2HD   LYS  48          2HD       LYS  48 -10.832   4.836  -3.059
  347   1HE   LYS  48          1HE       LYS  48 -13.532   5.221  -4.459
  348   2HE   LYS  48          2HE       LYS  48 -12.121   5.358  -5.494
  349   1HZ   LYS  48          1HZ       LYS  48 -12.501   2.991  -3.658
  350   2HZ   LYS  48          2HZ       LYS  48 -12.980   2.929  -5.167
  351   3HZ   LYS  48          3HZ       LYS  48 -11.367   3.091  -4.827
  352    H    ASP  49           H        ASP  49  -8.984   6.839   1.162
  353    HA   ASP  49           HA       ASP  49  -9.150   9.840   1.472
  354   1HB   ASP  49          1HB       ASP  49  -9.440   8.171   3.405
  355   2HB   ASP  49          2HB       ASP  49  -7.718   7.827   3.320
  356    H    SER  50           H        SER  50  -6.687   7.482   0.594
  357    HA   SER  50           HA       SER  50  -4.744   9.745  -0.120
  358   1HB   SER  50          1HB       SER  50  -3.235   7.486  -0.562
  359   2HB   SER  50          2HB       SER  50  -3.280   8.339   0.978
  360    HG   SER  50           HG       SER  50  -4.797   6.889   1.740
  361    H    ASP  51           H        ASP  51  -7.225   8.299  -1.590
  362    HA   ASP  51           HA       ASP  51  -6.096   7.814  -4.270
  363   1HB   ASP  51          1HB       ASP  51  -8.308   6.924  -3.199
  364   2HB   ASP  51          2HB       ASP  51  -9.038   8.463  -3.633
  365    H    LYS  52           H        LYS  52  -5.151   9.263  -5.476
  366    HA   LYS  52           HA       LYS  52  -5.978  12.107  -5.975
  367   1HB   LYS  52          1HB       LYS  52  -4.478  10.077  -7.717
  368   2HB   LYS  52          2HB       LYS  52  -4.624  11.759  -8.126
  369   1HG   LYS  52          1HG       LYS  52  -3.134  12.421  -6.234
  370   2HG   LYS  52          2HG       LYS  52  -3.352  10.891  -5.444
  371   1HD   LYS  52          1HD       LYS  52  -1.204  10.614  -6.282
  372   2HD   LYS  52          2HD       LYS  52  -2.114   9.717  -7.452
  373   1HE   LYS  52          1HE       LYS  52  -1.436  12.706  -7.989
  374   2HE   LYS  52          2HE       LYS  52  -0.184  11.478  -8.176
  375   1HZ   LYS  52          1HZ       LYS  52  -2.132  10.246  -9.639
  376   2HZ   LYS  52          2HZ       LYS  52  -2.612  11.811  -9.895
  377   3HZ   LYS  52          3HZ       LYS  52  -1.120  11.278 -10.287
  378    H    ASN  53           H        ASN  53  -6.408  11.822  -8.884
  379    HA   ASN  53           HA       ASN  53  -9.140  10.929  -9.226
  380   1HB   ASN  53          1HB       ASN  53  -8.544  11.018 -11.753
  381   2HB   ASN  53          2HB       ASN  53  -8.268  12.475 -10.840
  382   1HD2  ASN  53          1HD2      ASN  53  -4.730  12.370 -11.394
  383   2HD2  ASN  53          2HD2      ASN  53  -6.052  13.062 -10.351
  384    H    ASN  54           H        ASN  54  -6.211   9.180 -10.298
  385    HA   ASN  54           HA       ASN  54  -5.704   6.845 -10.469
  386   1HB   ASN  54          1HB       ASN  54  -7.960   6.930  -8.357
  387   2HB   ASN  54          2HB       ASN  54  -7.162   5.437  -8.764
  388   1HD2  ASN  54          1HD2      ASN  54  -5.049   6.367  -6.051
  389   2HD2  ASN  54          2HD2      ASN  54  -6.482   5.367  -6.561
  390    H    ASP  55           H        ASP  55  -6.074   5.896 -12.453
  391    HA   ASP  55           HA       ASP  55  -8.679   4.507 -12.972
  392   1HB   ASP  55          1HB       ASP  55  -6.702   5.270 -14.635
  393   2HB   ASP  55          2HB       ASP  55  -6.044   3.677 -14.287
  394    H    GLY  56           H        GLY  56  -7.856   4.038 -10.364
  395   1HA   GLY  56          1HA       GLY  56  -8.948   2.145  -9.217
  396   2HA   GLY  56          2HA       GLY  56  -8.415   1.075 -10.521
  397    H    ARG  57           H        ARG  57  -5.648   2.745  -9.482
  398    HA   ARG  57           HA       ARG  57  -4.717   0.330  -7.914
  399   1HB   ARG  57          1HB       ARG  57  -3.172  -0.484  -9.669
  400   2HB   ARG  57          2HB       ARG  57  -4.856  -0.584 -10.181
  401   1HG   ARG  57          1HG       ARG  57  -4.417   1.773 -11.359
  402   2HG   ARG  57          2HG       ARG  57  -2.707   1.444 -11.090
  403   1HD   ARG  57          1HD       ARG  57  -4.636   0.139 -13.031
  404   2HD   ARG  57          2HD       ARG  57  -2.919   0.494 -13.210
  405    HE   ARG  57           HE       ARG  57  -2.241  -1.485 -11.883
  406   1HH1  ARG  57          2HH1      ARG  57  -5.663  -1.442 -12.423
  407   2HH1  ARG  57          1HH1      ARG  57  -5.761  -3.274 -12.263
  408   1HH2  ARG  57          1HH2      ARG  57  -2.426  -3.430 -11.498
  409   2HH2  ARG  57          2HH2      ARG  57  -4.011  -4.334 -11.661
  410    H    ILE  58           H        ILE  58  -2.629   0.410  -7.127
  411    HA   ILE  58           HA       ILE  58  -1.641   3.252  -6.697
  412    HB   ILE  58           HB       ILE  58  -1.637   0.775  -4.912
  413   1HG1  ILE  58          1HG1      ILE  58  -2.940   3.562  -4.618
  414   2HG1  ILE  58          2HG1      ILE  58  -3.765   2.056  -4.904
  415   1HG2  ILE  58          1HG2      ILE  58   0.590   1.922  -4.537
  416   2HG2  ILE  58          2HG2      ILE  58  -0.236   3.464  -4.238
  417   3HG2  ILE  58          3HG2      ILE  58  -0.441   2.095  -3.121
  418   1HD1  ILE  58          1HD1      ILE  58  -3.052   1.146  -2.646
  419   2HD1  ILE  58          2HD1      ILE  58  -2.316   2.726  -2.271
  420   3HD1  ILE  58          3HD1      ILE  58  -4.067   2.607  -2.552
  421    H    ASP  59           H        ASP  59   0.338   3.893  -7.219
  422    HA   ASP  59           HA       ASP  59   2.510   1.875  -7.907
  423   1HB   ASP  59          1HB       ASP  59   3.485   3.735  -9.267
  424   2HB   ASP  59          2HB       ASP  59   1.818   3.394  -9.711
  425    H    PHE  60           H        PHE  60   4.826   3.343  -7.695
  426    HA   PHE  60           HA       PHE  60   5.512   2.352  -4.967
  427   1HB   PHE  60          1HB       PHE  60   6.984   2.361  -7.140
  428   2HB   PHE  60          2HB       PHE  60   7.311   4.030  -6.809
  429    HD1  PHE  60           HD1      PHE  60   6.999   1.760  -3.908
  430    HD2  PHE  60           HD2      PHE  60   9.768   3.556  -6.657
  431    HE1  PHE  60           HE1      PHE  60   8.863   1.103  -2.456
  432    HE2  PHE  60           HE2      PHE  60  11.638   2.909  -5.180
  433    HZ   PHE  60           HZ       PHE  60  11.192   1.631  -3.104
  434    H    ASP  61           H        ASP  61   4.804   5.512  -6.287
  435    HA   ASP  61           HA       ASP  61   5.798   7.344  -4.187
  436   1HB   ASP  61          1HB       ASP  61   4.991   8.506  -6.090
  437   2HB   ASP  61          2HB       ASP  61   3.702   7.360  -6.406
  438    H    GLU  62           H        GLU  62   2.437   6.760  -4.766
  439    HA   GLU  62           HA       GLU  62   1.035   6.992  -2.312
  440   1HB   GLU  62          1HB       GLU  62   0.434   4.613  -4.090
  441   2HB   GLU  62          2HB       GLU  62  -0.669   5.574  -3.153
  442   1HG   GLU  62          1HG       GLU  62   0.092   7.562  -4.876
  443   2HG   GLU  62          2HG       GLU  62   0.562   6.212  -5.892
  444    H    PHE  63           H        PHE  63   3.290   4.372  -3.017
  445    HA   PHE  63           HA       PHE  63   2.610   2.633  -0.650
  446   1HB   PHE  63          1HB       PHE  63   3.948   1.948  -2.779
  447   2HB   PHE  63          2HB       PHE  63   5.303   2.802  -2.123
  448    HD1  PHE  63           HD1      PHE  63   3.898   1.530   0.849
  449    HD2  PHE  63           HD2      PHE  63   5.735  -0.003  -2.728
  450    HE1  PHE  63           HE1      PHE  63   4.985  -0.262   2.152
  451    HE2  PHE  63           HE2      PHE  63   6.803  -1.772  -1.417
  452    HZ   PHE  63           HZ       PHE  63   6.496  -1.868   1.033
  453    H    LEU  64           H        LEU  64   5.442   4.739  -1.237
  454    HA   LEU  64           HA       LEU  64   6.396   5.044   1.454
  455   1HB   LEU  64          1HB       LEU  64   6.508   6.984  -0.908
  456   2HB   LEU  64          2HB       LEU  64   7.305   7.349   0.603
  457    HG   LEU  64           HG       LEU  64   7.926   4.753  -0.917
  458   1HD1  LEU  64          1HD1      LEU  64   9.198   7.543  -1.353
  459   2HD1  LEU  64          2HD1      LEU  64   9.881   6.006  -1.950
  460   3HD1  LEU  64          3HD1      LEU  64   8.302   6.543  -2.530
  461   1HD2  LEU  64          1HD2      LEU  64   9.548   6.415   1.149
  462   2HD2  LEU  64          2HD2      LEU  64   8.841   4.791   1.395
  463   3HD2  LEU  64          3HD2      LEU  64  10.177   5.007   0.256
  464    H    LYS  65           H        LYS  65   3.657   6.768   0.014
  465    HA   LYS  65           HA       LYS  65   3.024   8.353   2.458
  466   1HB   LYS  65          1HB       LYS  65   2.308   8.075  -0.288
  467   2HB   LYS  65          2HB       LYS  65   0.806   7.755   0.556
  468   1HG   LYS  65          1HG       LYS  65   2.264  10.236   1.497
  469   2HG   LYS  65          2HG       LYS  65   1.855  10.250  -0.229
  470   1HD   LYS  65          1HD       LYS  65   0.032  11.201   1.259
  471   2HD   LYS  65          2HD       LYS  65  -0.525   9.936   0.160
  472   1HE   LYS  65          1HE       LYS  65  -1.563   9.096   2.081
  473   2HE   LYS  65          2HE       LYS  65   0.044   8.464   2.484
  474   1HZ   LYS  65          1HZ       LYS  65   0.397  10.955   3.482
  475   2HZ   LYS  65          2HZ       LYS  65  -1.232  10.987   3.521
  476   3HZ   LYS  65          3HZ       LYS  65  -0.459   9.870   4.382
  477    H    MET  66           H        MET  66   1.179   5.567   1.093
  478    HA   MET  66           HA       MET  66  -0.325   4.661   3.196
  479   1HB   MET  66          1HB       MET  66  -0.339   3.427   1.126
  480   2HB   MET  66          2HB       MET  66   1.357   3.011   1.248
  481   1HG   MET  66          1HG       MET  66   0.404   1.762   3.562
  482   2HG   MET  66          2HG       MET  66  -0.981   1.581   2.468
  483   1HE   MET  66          1HE       MET  66   0.964   1.971  -0.272
  484   2HE   MET  66          2HE       MET  66   1.017   0.260  -0.789
  485   3HE   MET  66          3HE       MET  66  -0.523   0.974  -0.220
  486    H    MET  67           H        MET  67   3.170   4.021   3.077
  487    HA   MET  67           HA       MET  67   3.339   3.000   5.947
  488   1HB   MET  67          1HB       MET  67   5.411   3.651   3.777
  489   2HB   MET  67          2HB       MET  67   5.897   3.594   5.459
  490   1HG   MET  67          1HG       MET  67   4.341   1.184   4.442
  491   2HG   MET  67          2HG       MET  67   6.020   1.376   3.902
  492   1HE   MET  67          1HE       MET  67   6.744  -0.689   4.846
  493   2HE   MET  67          2HE       MET  67   8.045   0.387   5.451
  494   3HE   MET  67          3HE       MET  67   7.333  -0.855   6.527
  495    H    GLU  68           H        GLU  68   5.364   5.629   4.672
  496    HA   GLU  68           HA       GLU  68   5.293   6.771   7.448
  497   1HB   GLU  68          1HB       GLU  68   7.198   8.217   6.641
  498   2HB   GLU  68          2HB       GLU  68   7.472   6.503   6.719
  499   1HG   GLU  68          1HG       GLU  68   7.180   6.373   4.152
  500   2HG   GLU  68          2HG       GLU  68   6.993   8.116   4.110
  501    H    GLY  69           H        GLY  69   3.195   7.287   5.093
  502   1HA   GLY  69          1HA       GLY  69   2.912  10.216   4.678
  503   2HA   GLY  69          2HA       GLY  69   1.608   9.029   4.557
  504    H    VAL  70           H        VAL  70   3.029  11.463   6.552
  505    HA   VAL  70           HA       VAL  70   1.339  11.186   8.920
  506    HB   VAL  70           HB       VAL  70   2.513  13.726   7.666
  507   1HG1  VAL  70          1HG1      VAL  70   1.256  13.371  10.483
  508   2HG1  VAL  70          2HG1      VAL  70   2.180  14.798   9.948
  509   3HG1  VAL  70          3HG1      VAL  70   0.639  14.415   9.178
  510   1HG2  VAL  70          1HG2      VAL  70   4.263  12.092   8.476
  511   2HG2  VAL  70          2HG2      VAL  70   4.261  13.550   9.456
  512   3HG2  VAL  70          3HG2      VAL  70   3.518  12.052  10.089
  513    H    GLN  71           H        GLN  71  -0.760  11.565   9.285
  514    HA   GLN  71           HA       GLN  71  -2.721  12.366   7.212
  515   1HB   GLN  71          1HB       GLN  71  -3.368  10.824   8.955
  516   2HB   GLN  71          2HB       GLN  71  -2.929  11.949  10.240
  517   1HG   GLN  71          1HG       GLN  71  -5.076  12.751  10.234
  518   2HG   GLN  71          2HG       GLN  71  -4.885  13.361   8.601
  519   1HE2  GLN  71          1HE2      GLN  71  -6.894  10.753   7.211
  520   2HE2  GLN  71          2HE2      GLN  71  -5.671  12.100   6.881
  521   1HN   NH2  72          1HN       NH2  72  -2.710  14.129  10.386
  522   2HN   NH2  72          2HN       NH2  72  -2.663  15.766   9.679
   
  No H/Q in entry =         522
  Start of MODEL    3
    1   1H    ACE   1          1HH3      ACE   1  24.957   3.737  -2.263
    2   2H    ACE   1          2HH3      ACE   1  24.466   3.034  -0.681
    3   3H    ACE   1          3HH3      ACE   1  24.248   2.108  -2.193
    4    H    LYS   2           H        LYS   2  23.346   5.414  -1.075
    5    HA   LYS   2           HA       LYS   2  20.578   4.532  -0.568
    6   1HB   LYS   2          1HB       LYS   2  22.089   7.131  -0.311
    7   2HB   LYS   2          2HB       LYS   2  20.346   7.280  -0.356
    8   1HG   LYS   2          1HG       LYS   2  20.461   5.398   1.636
    9   2HG   LYS   2          2HG       LYS   2  22.147   5.842   1.714
   10   1HD   LYS   2          1HD       LYS   2  21.428   8.300   2.100
   11   2HD   LYS   2          2HD       LYS   2  19.746   7.765   2.139
   12   1HE   LYS   2          1HE       LYS   2  20.549   6.001   3.962
   13   2HE   LYS   2          2HE       LYS   2  21.985   7.025   4.152
   14   1HZ   LYS   2          1HZ       LYS   2  20.148   8.986   4.375
   15   2HZ   LYS   2          2HZ       LYS   2  19.148   7.751   4.865
   16   3HZ   LYS   2          3HZ       LYS   2  20.537   8.109   5.612
   17    H    SER   3           H        SER   3  19.088   4.170  -2.146
   18    HA   SER   3           HA       SER   3  18.070   6.658  -3.528
   19   1HB   SER   3          1HB       SER   3  17.954   5.261  -5.761
   20   2HB   SER   3          2HB       SER   3  19.431   6.096  -5.342
   21    HG   SER   3           HG       SER   3  18.846   3.376  -5.445
   22    H    GLU   4           H        GLU   4  16.403   5.019  -5.320
   23    HA   GLU   4           HA       GLU   4  14.108   4.220  -3.554
   24   1HB   GLU   4          1HB       GLU   4  12.794   3.804  -5.395
   25   2HB   GLU   4          2HB       GLU   4  13.741   5.233  -5.732
   26   1HG   GLU   4          1HG       GLU   4  14.757   4.278  -7.639
   27   2HG   GLU   4          2HG       GLU   4  14.837   2.663  -6.945
   28    H    GLU   5           H        GLU   5  16.999   2.721  -4.391
   29    HA   GLU   5           HA       GLU   5  16.746   0.074  -4.767
   30   1HB   GLU   5          1HB       GLU   5  18.841   1.291  -4.159
   31   2HB   GLU   5          2HB       GLU   5  18.460   1.121  -2.472
   32   1HG   GLU   5          1HG       GLU   5  19.190  -1.114  -2.386
   33   2HG   GLU   5          2HG       GLU   5  18.555  -1.519  -3.970
   34    H    GLU   6           H        GLU   6  16.116   1.237  -1.444
   35    HA   GLU   6           HA       GLU   6  15.486  -1.556  -0.596
   36   1HB   GLU   6          1HB       GLU   6  16.953  -0.671   0.880
   37   2HB   GLU   6          2HB       GLU   6  16.352   0.955   0.756
   38   1HG   GLU   6          1HG       GLU   6  14.340   0.247   2.267
   39   2HG   GLU   6          2HG       GLU   6  15.122  -1.308   2.485
   40    H    LEU   7           H        LEU   7  13.631   1.456  -0.708
   41    HA   LEU   7           HA       LEU   7  10.942   0.201  -0.153
   42   1HB   LEU   7          1HB       LEU   7  11.717   2.775  -1.633
   43   2HB   LEU   7          2HB       LEU   7  10.069   2.280  -1.335
   44    HG   LEU   7           HG       LEU   7  11.002   2.238   1.267
   45   1HD1  LEU   7          1HD1      LEU   7  13.279   3.013   0.630
   46   2HD1  LEU   7          2HD1      LEU   7  12.612   4.469  -0.152
   47   3HD1  LEU   7          3HD1      LEU   7  12.465   4.241   1.611
   48   1HD2  LEU   7          1HD2      LEU   7   9.928   4.725  -0.261
   49   2HD2  LEU   7          2HD2      LEU   7   8.956   3.481   0.573
   50   3HD2  LEU   7          3HD2      LEU   7   9.991   4.558   1.514
   51    H    ALA   8           H        ALA   8  13.114   0.340  -2.949
   52    HA   ALA   8           HA       ALA   8  11.286  -1.018  -4.789
   53   1HB   ALA   8          1HB       ALA   8  14.377  -0.931  -4.666
   54   2HB   ALA   8          2HB       ALA   8  13.425  -1.487  -6.057
   55   3HB   ALA   8          3HB       ALA   8  13.307   0.197  -5.532
   56    H    ASN   9           H        ASN   9  14.119  -2.676  -3.237
   57    HA   ASN   9           HA       ASN   9  13.299  -5.337  -3.155
   58   1HB   ASN   9          1HB       ASN   9  14.376  -4.030  -0.573
   59   2HB   ASN   9          2HB       ASN   9  14.671  -5.642  -1.163
   60   1HD2  ASN   9          1HD2      ASN   9  17.601  -3.363  -1.889
   61   2HD2  ASN   9          2HD2      ASN   9  16.591  -3.637  -0.400
   62    H    ALA  10           H        ALA  10  12.116  -2.971  -0.742
   63    HA   ALA  10           HA       ALA  10  10.214  -4.718   0.650
   64   1HB   ALA  10          1HB       ALA  10  11.152  -2.580   1.543
   65   2HB   ALA  10          2HB       ALA  10  10.225  -1.636   0.348
   66   3HB   ALA  10          3HB       ALA  10   9.379  -2.566   1.604
   67    H    PHE  11           H        PHE  11   9.521  -2.299  -1.917
   68    HA   PHE  11           HA       PHE  11   6.704  -2.845  -2.236
   69   1HB   PHE  11          1HB       PHE  11   7.850  -0.806  -3.055
   70   2HB   PHE  11          2HB       PHE  11   8.735  -1.716  -4.231
   71    HD1  PHE  11           HD1      PHE  11   7.115  -3.199  -5.927
   72    HD2  PHE  11           HD2      PHE  11   5.947   0.418  -3.910
   73    HE1  PHE  11           HE1      PHE  11   5.392  -2.790  -7.637
   74    HE2  PHE  11           HE2      PHE  11   4.184   0.771  -5.592
   75    HZ   PHE  11           HZ       PHE  11   3.949  -0.795  -7.493
   76    H    ARG  12           H        ARG  12   9.392  -4.294  -4.123
   77    HA   ARG  12           HA       ARG  12   7.809  -6.268  -5.552
   78   1HB   ARG  12          1HB       ARG  12  10.733  -6.399  -4.614
   79   2HB   ARG  12          2HB       ARG  12  10.008  -7.602  -5.675
   80   1HG   ARG  12          1HG       ARG  12   9.782  -6.060  -7.506
   81   2HG   ARG  12          2HG       ARG  12   9.824  -4.632  -6.464
   82   1HD   ARG  12          1HD       ARG  12  11.965  -5.171  -7.904
   83   2HD   ARG  12          2HD       ARG  12  12.202  -4.695  -6.200
   84    HE   ARG  12           HE       ARG  12  12.725  -7.033  -5.609
   85   1HH1  ARG  12          2HH1      ARG  12  11.991  -6.746  -8.983
   86   2HH1  ARG  12          1HH1      ARG  12  12.667  -8.405  -9.355
   87   1HH2  ARG  12          1HH2      ARG  12  13.446  -8.895  -6.038
   88   2HH2  ARG  12          2HH2      ARG  12  13.454  -9.560  -7.737
   89    H    ILE  13           H        ILE  13   9.007  -6.335  -2.231
   90    HA   ILE  13           HA       ILE  13   8.692  -9.275  -1.836
   91    HB   ILE  13           HB       ILE  13   9.445  -6.977   0.022
   92   1HG1  ILE  13          1HG1      ILE  13  11.123  -8.325  -1.649
   93   2HG1  ILE  13          2HG1      ILE  13  11.634  -7.679  -0.113
   94   1HG2  ILE  13          1HG2      ILE  13   8.085  -8.545   1.462
   95   2HG2  ILE  13          2HG2      ILE  13   9.067  -9.928   0.926
   96   3HG2  ILE  13          3HG2      ILE  13   9.776  -8.639   1.919
   97   1HD1  ILE  13          1HD1      ILE  13  11.338  -9.900   1.034
   98   2HD1  ILE  13          2HD1      ILE  13  10.874 -10.634  -0.521
   99   3HD1  ILE  13          3HD1      ILE  13  12.502  -9.962  -0.309
  100    H    PHE  14           H        PHE  14   6.743  -6.437  -1.166
  101    HA   PHE  14           HA       PHE  14   4.383  -7.780   0.129
  102   1HB   PHE  14          1HB       PHE  14   4.736  -5.185  -1.502
  103   2HB   PHE  14          2HB       PHE  14   3.166  -5.750  -1.035
  104    HD1  PHE  14           HD1      PHE  14   6.338  -4.344   0.274
  105    HD2  PHE  14           HD2      PHE  14   2.376  -5.631   1.322
  106    HE1  PHE  14           HE1      PHE  14   6.556  -3.246   2.469
  107    HE2  PHE  14           HE2      PHE  14   2.592  -4.512   3.505
  108    HZ   PHE  14           HZ       PHE  14   4.664  -3.292   4.073
  109    H    ASP  15           H        ASP  15   4.630  -6.487  -3.219
  110    HA   ASP  15           HA       ASP  15   2.126  -7.712  -4.001
  111   1HB   ASP  15          1HB       ASP  15   3.054  -5.629  -4.984
  112   2HB   ASP  15          2HB       ASP  15   4.383  -6.506  -5.725
  113    H    LYS  16           H        LYS  16   1.739  -9.267  -5.851
  114    HA   LYS  16           HA       LYS  16   2.772 -11.831  -4.685
  115   1HB   LYS  16          1HB       LYS  16   0.555 -11.136  -6.658
  116   2HB   LYS  16          2HB       LYS  16   1.170 -12.765  -6.675
  117   1HG   LYS  16          1HG       LYS  16   0.225 -11.496  -4.024
  118   2HG   LYS  16          2HG       LYS  16  -0.969 -12.004  -5.212
  119   1HD   LYS  16          1HD       LYS  16   0.514 -14.316  -5.151
  120   2HD   LYS  16          2HD       LYS  16   0.931 -13.683  -3.560
  121   1HE   LYS  16          1HE       LYS  16  -1.033 -15.331  -3.566
  122   2HE   LYS  16          2HE       LYS  16  -1.292 -13.820  -2.671
  123   1HZ   LYS  16          1HZ       LYS  16  -2.110 -14.122  -5.607
  124   2HZ   LYS  16          2HZ       LYS  16  -3.160 -14.307  -4.345
  125   3HZ   LYS  16          3HZ       LYS  16  -2.453 -12.865  -4.606
  126    H    ASN  17           H        ASN  17   2.999 -10.044  -7.732
  127    HA   ASN  17           HA       ASN  17   4.760 -12.217  -8.938
  128   1HB   ASN  17          1HB       ASN  17   2.326 -11.493  -9.776
  129   2HB   ASN  17          2HB       ASN  17   3.175 -10.224 -10.617
  130   1HD2  ASN  17          1HD2      ASN  17   3.064 -13.856 -12.262
  131   2HD2  ASN  17          2HD2      ASN  17   2.577 -13.683 -10.544
  132    H    ALA  18           H        ALA  18   4.524  -8.688  -8.706
  133    HA   ALA  18           HA       ALA  18   6.301  -7.083  -8.497
  134   1HB   ALA  18          1HB       ALA  18   7.421  -9.044  -7.371
  135   2HB   ALA  18          2HB       ALA  18   8.055  -9.578  -8.944
  136   3HB   ALA  18          3HB       ALA  18   8.599  -8.037  -8.258
  137    H    ASP  19           H        ASP  19   5.116  -7.422 -11.147
  138    HA   ASP  19           HA       ASP  19   7.226  -6.458 -13.042
  139   1HB   ASP  19          1HB       ASP  19   5.124  -5.657 -14.361
  140   2HB   ASP  19          2HB       ASP  19   5.312  -7.386 -14.105
  141    H    GLY  20           H        GLY  20   6.005  -5.077 -10.244
  142   1HA   GLY  20          1HA       GLY  20   6.766  -2.923  -9.346
  143   2HA   GLY  20          2HA       GLY  20   7.051  -2.355 -10.996
  144    H    TYR  21           H        TYR  21   3.856  -3.604 -10.607
  145    HA   TYR  21           HA       TYR  21   2.744  -0.920  -9.583
  146   1HB   TYR  21          1HB       TYR  21   1.334  -3.113 -11.235
  147   2HB   TYR  21          2HB       TYR  21   0.524  -1.741 -10.542
  148    HD1  TYR  21           HD1      TYR  21   3.677  -0.473 -11.511
  149    HD2  TYR  21           HD2      TYR  21  -0.118  -1.657 -13.152
  150    HE1  TYR  21           HE1      TYR  21   4.140   0.833 -13.549
  151    HE2  TYR  21           HE2      TYR  21   0.372  -0.334 -15.184
  152    HH   TYR  21           HH       TYR  21   2.209   1.956 -15.453
  153    H    ILE  22           H        ILE  22   0.924  -1.008  -8.093
  154    HA   ILE  22           HA       ILE  22   0.202  -3.754  -6.917
  155    HB   ILE  22           HB       ILE  22   0.383  -1.091  -5.418
  156   1HG1  ILE  22          1HG1      ILE  22   1.935  -3.720  -5.209
  157   2HG1  ILE  22          2HG1      ILE  22   2.538  -2.085  -5.239
  158   1HG2  ILE  22          1HG2      ILE  22  -1.767  -2.240  -4.719
  159   2HG2  ILE  22          2HG2      ILE  22  -0.875  -3.729  -4.352
  160   3HG2  ILE  22          3HG2      ILE  22  -0.615  -2.248  -3.394
  161   1HD1  ILE  22          1HD1      ILE  22   1.625  -1.648  -2.901
  162   2HD1  ILE  22          2HD1      ILE  22   1.191  -3.374  -2.796
  163   3HD1  ILE  22          3HD1      ILE  22   2.892  -2.898  -2.987
  164    H    ASP  23           H        ASP  23  -2.020  -4.045  -6.345
  165    HA   ASP  23           HA       ASP  23  -3.949  -2.365  -8.020
  166   1HB   ASP  23          1HB       ASP  23  -4.948  -4.351  -9.031
  167   2HB   ASP  23          2HB       ASP  23  -3.213  -4.410  -9.309
  168    H    ILE  24           H        ILE  24  -6.311  -3.151  -7.532
  169    HA   ILE  24           HA       ILE  24  -6.789  -2.317  -4.676
  170    HB   ILE  24           HB       ILE  24  -8.215  -1.738  -6.868
  171   1HG1  ILE  24          1HG1      ILE  24  -8.906  -0.513  -4.974
  172   2HG1  ILE  24          2HG1      ILE  24 -10.337  -1.438  -5.338
  173   1HG2  ILE  24          1HG2      ILE  24  -8.969  -4.107  -7.381
  174   2HG2  ILE  24          2HG2      ILE  24  -9.757  -4.213  -5.795
  175   3HG2  ILE  24          3HG2      ILE  24 -10.354  -3.085  -7.038
  176   1HD1  ILE  24          1HD1      ILE  24  -9.731  -3.168  -3.570
  177   2HD1  ILE  24          2HD1      ILE  24  -8.391  -2.114  -3.059
  178   3HD1  ILE  24          3HD1      ILE  24 -10.066  -1.538  -2.932
  179    H    GLU  25           H        GLU  25  -6.876  -5.303  -6.538
  180    HA   GLU  25           HA       GLU  25  -8.352  -6.909  -4.476
  181   1HB   GLU  25          1HB       GLU  25  -7.305  -7.409  -7.227
  182   2HB   GLU  25          2HB       GLU  25  -7.294  -8.800  -6.187
  183   1HG   GLU  25          1HG       GLU  25  -9.904  -8.094  -5.743
  184   2HG   GLU  25          2HG       GLU  25  -9.710  -7.251  -7.269
  185    H    GLU  26           H        GLU  26  -4.977  -6.455  -5.373
  186    HA   GLU  26           HA       GLU  26  -3.944  -8.471  -3.404
  187   1HB   GLU  26          1HB       GLU  26  -2.549  -6.572  -5.325
  188   2HB   GLU  26          2HB       GLU  26  -1.648  -7.468  -4.141
  189   1HG   GLU  26          1HG       GLU  26  -2.707  -9.657  -5.209
  190   2HG   GLU  26          2HG       GLU  26  -3.253  -8.626  -6.519
  191    H    LEU  27           H        LEU  27  -4.616  -5.078  -3.308
  192    HA   LEU  27           HA       LEU  27  -2.902  -4.164  -1.154
  193   1HB   LEU  27          1HB       LEU  27  -4.194  -2.678  -2.640
  194   2HB   LEU  27          2HB       LEU  27  -5.709  -3.230  -1.975
  195    HG   LEU  27           HG       LEU  27  -3.708  -1.942  -0.057
  196   1HD1  LEU  27          1HD1      LEU  27  -3.721  -0.428  -2.043
  197   2HD1  LEU  27          2HD1      LEU  27  -5.504  -0.319  -1.993
  198   3HD1  LEU  27          3HD1      LEU  27  -4.507   0.325  -0.657
  199   1HD2  LEU  27          1HD2      LEU  27  -6.811  -1.809  -0.230
  200   2HD2  LEU  27          2HD2      LEU  27  -5.863  -2.834   0.888
  201   3HD2  LEU  27          3HD2      LEU  27  -5.787  -1.075   1.035
  202    H    GLY  28           H        GLY  28  -6.333  -5.108  -0.743
  203   1HA   GLY  28          1HA       GLY  28  -6.877  -5.855   1.884
  204   2HA   GLY  28          2HA       GLY  28  -7.037  -7.039   0.581
  205    H    GLU  29           H        GLU  29  -4.683  -7.941  -0.061
  206    HA   GLU  29           HA       GLU  29  -4.002  -9.706   2.232
  207   1HB   GLU  29          1HB       GLU  29  -4.028 -10.853   0.245
  208   2HB   GLU  29          2HB       GLU  29  -3.260  -9.597  -0.679
  209   1HG   GLU  29          1HG       GLU  29  -1.604 -11.322  -0.632
  210   2HG   GLU  29          2HG       GLU  29  -1.018 -10.236   0.615
  211    H    ILE  30           H        ILE  30  -2.483  -6.870   0.861
  212    HA   ILE  30           HA       ILE  30   0.096  -6.931   2.378
  213    HB   ILE  30           HB       ILE  30  -1.481  -4.600   1.170
  214   1HG1  ILE  30          1HG1      ILE  30   0.128  -4.500  -0.614
  215   2HG1  ILE  30          2HG1      ILE  30   1.309  -5.452   0.243
  216   1HG2  ILE  30          1HG2      ILE  30  -0.163  -3.729   3.135
  217   2HG2  ILE  30          2HG2      ILE  30   1.325  -4.469   2.489
  218   3HG2  ILE  30          3HG2      ILE  30   0.517  -3.131   1.625
  219   1HD1  ILE  30          1HD1      ILE  30  -1.255  -6.706  -0.946
  220   2HD1  ILE  30          2HD1      ILE  30   0.392  -6.782  -1.606
  221   3HD1  ILE  30          3HD1      ILE  30   0.029  -7.561  -0.053
  222    H    LEU  31           H        LEU  31  -3.008  -5.213   3.008
  223    HA   LEU  31           HA       LEU  31  -2.820  -4.606   5.787
  224   1HB   LEU  31          1HB       LEU  31  -5.362  -5.994   4.950
  225   2HB   LEU  31          2HB       LEU  31  -5.150  -4.544   5.900
  226    HG   LEU  31           HG       LEU  31  -5.253  -4.839   2.879
  227   1HD1  LEU  31          1HD1      LEU  31  -6.516  -2.871   4.905
  228   2HD1  LEU  31          2HD1      LEU  31  -6.768  -2.838   3.139
  229   3HD1  LEU  31          3HD1      LEU  31  -7.310  -4.237   4.071
  230   1HD2  LEU  31          1HD2      LEU  31  -3.879  -2.463   4.329
  231   2HD2  LEU  31          2HD2      LEU  31  -3.137  -3.556   3.127
  232   3HD2  LEU  31          3HD2      LEU  31  -4.417  -2.445   2.628
  233    H    ARG  32           H        ARG  32  -3.279  -7.834   4.424
  234    HA   ARG  32           HA       ARG  32  -3.801  -9.192   6.980
  235   1HB   ARG  32          1HB       ARG  32  -4.115  -9.622   4.246
  236   2HB   ARG  32          2HB       ARG  32  -2.850 -10.795   4.609
  237   1HG   ARG  32          1HG       ARG  32  -4.671 -12.154   5.107
  238   2HG   ARG  32          2HG       ARG  32  -4.594 -11.342   6.681
  239   1HD   ARG  32          1HD       ARG  32  -6.194  -9.976   4.448
  240   2HD   ARG  32          2HD       ARG  32  -6.910 -11.408   5.222
  241    HE   ARG  32           HE       ARG  32  -6.236  -8.790   6.636
  242   1HH1  ARG  32          2HH1      ARG  32  -7.505 -12.010   6.945
  243   2HH1  ARG  32          1HH1      ARG  32  -8.225 -11.648   8.584
  244   1HH2  ARG  32          1HH2      ARG  32  -7.065  -8.420   8.482
  245   2HH2  ARG  32          2HH2      ARG  32  -7.993  -9.703   9.384
  246    H    ALA  33           H        ALA  33  -0.901  -9.498   4.868
  247    HA   ALA  33           HA       ALA  33   0.763 -10.557   7.116
  248   1HB   ALA  33          1HB       ALA  33   0.822 -11.535   4.826
  249   2HB   ALA  33          2HB       ALA  33   1.422  -9.997   4.148
  250   3HB   ALA  33          3HB       ALA  33   2.425 -10.930   5.280
  251    H    THR  34           H        THR  34   2.577  -9.654   8.101
  252    HA   THR  34           HA       THR  34   3.078  -6.696   7.757
  253    HB   THR  34           HB       THR  34   1.345  -7.768   9.918
  254    HG1  THR  34           HG1      THR  34   1.321  -5.328  10.225
  255   1HG2  THR  34          2HG2      THR  34   3.578  -7.552  11.196
  256   2HG2  THR  34          3HG2      THR  34   3.619  -5.827  10.747
  257   3HG2  THR  34          1HG2      THR  34   2.319  -6.436  11.787
  258    H    GLY  35           H        GLY  35   3.671  -9.351  10.103
  259   1HA   GLY  35          1HA       GLY  35   6.491  -9.713  10.314
  260   2HA   GLY  35          2HA       GLY  35   6.271  -8.052  10.877
  261   1HN   NH2  36          1HN       NH2  36   7.335  -8.999  12.880
  262   2HN   NH2  36          2HN       NH2  36   6.299  -9.800  14.091
  263   1H    ACE  37          1HH3      ACE  37 -13.983  -1.926  11.363
  264   2H    ACE  37          2HH3      ACE  37 -13.574  -2.926  12.800
  265   3H    ACE  37          3HH3      ACE  37 -12.595  -1.491  12.397
  266    H    VAL  38           H        VAL  38 -13.394  -4.781  11.328
  267    HA   VAL  38           HA       VAL  38 -11.090  -4.714   9.292
  268    HB   VAL  38           HB       VAL  38 -11.993  -7.095  11.003
  269   1HG1  VAL  38          1HG1      VAL  38  -9.605  -6.818   9.035
  270   2HG1  VAL  38          2HG1      VAL  38  -9.817  -8.176  10.164
  271   3HG1  VAL  38          3HG1      VAL  38 -10.991  -7.912   8.871
  272   1HG2  VAL  38          1HG2      VAL  38 -10.768  -5.388  12.418
  273   2HG2  VAL  38          2HG2      VAL  38  -9.776  -6.845  12.192
  274   3HG2  VAL  38          3HG2      VAL  38  -9.428  -5.374  11.250
  275    H    THR  39           H        THR  39 -12.307  -4.268   7.464
  276    HA   THR  39           HA       THR  39 -14.158  -6.294   6.349
  277    HB   THR  39           HB       THR  39 -16.020  -4.314   6.045
  278    HG1  THR  39           HG1      THR  39 -15.679  -4.130   8.766
  279   1HG2  THR  39          2HG2      THR  39 -15.826  -6.279   8.437
  280   2HG2  THR  39          3HG2      THR  39 -17.320  -5.498   7.865
  281   3HG2  THR  39          1HG2      THR  39 -16.472  -6.660   6.823
  282    H    GLU  40           H        GLU  40 -15.012  -5.530   4.187
  283    HA   GLU  40           HA       GLU  40 -12.817  -4.304   2.555
  284   1HB   GLU  40          1HB       GLU  40 -13.622  -5.896   1.232
  285   2HB   GLU  40          2HB       GLU  40 -15.164  -5.980   2.028
  286   1HG   GLU  40          1HG       GLU  40 -15.781  -3.780   0.612
  287   2HG   GLU  40          2HG       GLU  40 -14.375  -4.185  -0.355
  288    H    GLU  41           H        GLU  41 -15.867  -3.139   3.860
  289    HA   GLU  41           HA       GLU  41 -16.039  -0.642   2.468
  290   1HB   GLU  41          1HB       GLU  41 -17.911  -1.351   3.677
  291   2HB   GLU  41          2HB       GLU  41 -17.052  -1.554   5.173
  292   1HG   GLU  41          1HG       GLU  41 -16.796   1.134   5.119
  293   2HG   GLU  41          2HG       GLU  41 -18.084   1.071   3.930
  294    H    ASP  42           H        ASP  42 -13.845  -1.416   5.068
  295    HA   ASP  42           HA       ASP  42 -12.917   1.461   5.442
  296   1HB   ASP  42          1HB       ASP  42 -12.197  -1.179   6.852
  297   2HB   ASP  42          2HB       ASP  42 -11.277   0.295   7.119
  298    H    ILE  43           H        ILE  43 -11.800  -1.576   3.985
  299    HA   ILE  43           HA       ILE  43  -9.336  -0.598   2.729
  300    HB   ILE  43           HB       ILE  43 -11.334  -2.717   1.821
  301   1HG1  ILE  43          1HG1      ILE  43  -8.709  -3.849   2.021
  302   2HG1  ILE  43          2HG1      ILE  43  -8.799  -2.766   3.384
  303   1HG2  ILE  43          1HG2      ILE  43 -10.391  -1.750  -0.313
  304   2HG2  ILE  43          2HG2      ILE  43  -8.736  -1.945   0.298
  305   3HG2  ILE  43          3HG2      ILE  43  -9.749  -3.366  -0.060
  306   1HD1  ILE  43          1HD1      ILE  43 -10.936  -3.846   4.202
  307   2HD1  ILE  43          2HD1      ILE  43 -10.791  -5.066   2.909
  308   3HD1  ILE  43          3HD1      ILE  43  -9.538  -4.943   4.162
  309    H    GLU  44           H        GLU  44 -12.726  -0.196   1.745
  310    HA   GLU  44           HA       GLU  44 -12.119   1.346  -0.757
  311   1HB   GLU  44          1HB       GLU  44 -14.560   0.337   0.592
  312   2HB   GLU  44          2HB       GLU  44 -14.788   1.896  -0.139
  313   1HG   GLU  44          1HG       GLU  44 -13.453   0.188  -2.130
  314   2HG   GLU  44          2HG       GLU  44 -14.780  -0.727  -1.438
  315    H    ASP  45           H        ASP  45 -12.961   2.166   2.571
  316    HA   ASP  45           HA       ASP  45 -13.321   5.116   2.139
  317   1HB   ASP  45          1HB       ASP  45 -13.213   3.266   4.576
  318   2HB   ASP  45          2HB       ASP  45 -13.087   5.005   4.807
  319    H    LEU  46           H        LEU  46 -10.667   3.040   3.261
  320    HA   LEU  46           HA       LEU  46  -8.576   5.155   3.501
  321   1HB   LEU  46          1HB       LEU  46  -8.459   2.861   4.497
  322   2HB   LEU  46          2HB       LEU  46  -8.316   2.146   2.908
  323    HG   LEU  46           HG       LEU  46  -6.127   3.817   2.773
  324   1HD1  LEU  46          1HD1      LEU  46  -6.798   3.594   5.719
  325   2HD1  LEU  46          2HD1      LEU  46  -5.095   3.332   5.242
  326   3HD1  LEU  46          3HD1      LEU  46  -5.900   4.850   4.817
  327   1HD2  LEU  46          1HD2      LEU  46  -6.300   1.195   2.598
  328   2HD2  LEU  46          2HD2      LEU  46  -4.736   1.873   3.139
  329   3HD2  LEU  46          3HD2      LEU  46  -5.886   1.167   4.313
  330    H    MET  47           H        MET  47  -9.291   2.981   0.763
  331    HA   MET  47           HA       MET  47  -7.377   4.407  -1.016
  332   1HB   MET  47          1HB       MET  47  -7.679   1.947  -1.121
  333   2HB   MET  47          2HB       MET  47  -9.361   2.133  -1.589
  334   1HG   MET  47          1HG       MET  47  -8.879   2.564  -3.816
  335   2HG   MET  47          2HG       MET  47  -7.482   3.586  -3.432
  336   1HE   MET  47          1HE       MET  47  -6.917   2.221  -5.775
  337   2HE   MET  47          2HE       MET  47  -5.563   2.861  -4.800
  338   3HE   MET  47          3HE       MET  47  -5.450   1.220  -5.500
  339    H    LYS  48           H        LYS  48 -10.685   5.108  -0.299
  340    HA   LYS  48           HA       LYS  48 -10.774   7.081  -2.586
  341   1HB   LYS  48          1HB       LYS  48 -12.515   6.748  -0.085
  342   2HB   LYS  48          2HB       LYS  48 -12.873   7.902  -1.332
  343   1HG   LYS  48          1HG       LYS  48 -13.586   6.159  -2.888
  344   2HG   LYS  48          2HG       LYS  48 -12.560   4.963  -2.160
  345   1HD   LYS  48          1HD       LYS  48 -15.265   5.023  -1.768
  346   2HD   LYS  48          2HD       LYS  48 -14.184   4.180  -0.709
  347   1HE   LYS  48          1HE       LYS  48 -15.269   5.457   0.948
  348   2HE   LYS  48          2HE       LYS  48 -14.108   6.694   0.500
  349   1HZ   LYS  48          1HZ       LYS  48 -16.588   6.628  -1.190
  350   2HZ   LYS  48          2HZ       LYS  48 -16.706   7.299   0.319
  351   3HZ   LYS  48          3HZ       LYS  48 -15.670   7.861  -0.810
  352    H    ASP  49           H        ASP  49  -9.612   6.952   0.710
  353    HA   ASP  49           HA       ASP  49  -9.673   9.930   1.221
  354   1HB   ASP  49          1HB       ASP  49 -10.032   8.491   3.153
  355   2HB   ASP  49          2HB       ASP  49  -8.576   7.556   2.846
  356    H    SER  50           H        SER  50  -6.911   7.644   1.143
  357    HA   SER  50           HA       SER  50  -4.934   9.839   0.478
  358   1HB   SER  50          1HB       SER  50  -4.691   6.825   1.041
  359   2HB   SER  50          2HB       SER  50  -3.333   7.716   0.361
  360    HG   SER  50           HG       SER  50  -4.217   9.212   2.333
  361    H    ASP  51           H        ASP  51  -7.173   8.348  -1.388
  362    HA   ASP  51           HA       ASP  51  -5.701   7.856  -3.855
  363   1HB   ASP  51          1HB       ASP  51  -8.155   7.221  -3.126
  364   2HB   ASP  51          2HB       ASP  51  -8.628   8.794  -3.753
  365    H    LYS  52           H        LYS  52  -4.740   9.100  -5.263
  366    HA   LYS  52           HA       LYS  52  -5.226  12.054  -5.682
  367   1HB   LYS  52          1HB       LYS  52  -3.827   9.935  -7.399
  368   2HB   LYS  52          2HB       LYS  52  -3.843  11.622  -7.810
  369   1HG   LYS  52          1HG       LYS  52  -2.087  10.117  -5.904
  370   2HG   LYS  52          2HG       LYS  52  -1.786  11.617  -6.723
  371   1HD   LYS  52          1HD       LYS  52  -3.519  11.459  -4.191
  372   2HD   LYS  52          2HD       LYS  52  -1.822  11.801  -4.119
  373   1HE   LYS  52          1HE       LYS  52  -2.121  14.017  -5.185
  374   2HE   LYS  52          2HE       LYS  52  -3.683  13.563  -5.865
  375   1HZ   LYS  52          1HZ       LYS  52  -4.628  13.454  -3.493
  376   2HZ   LYS  52          2HZ       LYS  52  -3.189  14.003  -2.884
  377   3HZ   LYS  52          3HZ       LYS  52  -4.118  14.904  -3.878
  378    H    ASN  53           H        ASN  53  -5.482  11.399  -8.734
  379    HA   ASN  53           HA       ASN  53  -8.336  11.116  -9.091
  380   1HB   ASN  53          1HB       ASN  53  -7.602  10.484 -11.560
  381   2HB   ASN  53          2HB       ASN  53  -7.211  12.062 -10.937
  382   1HD2  ASN  53          1HD2      ASN  53  -3.893  11.482 -11.973
  383   2HD2  ASN  53          2HD2      ASN  53  -5.341  12.583 -11.905
  384    H    ASN  54           H        ASN  54  -5.885   8.543  -9.097
  385    HA   ASN  54           HA       ASN  54  -5.937   6.274  -9.870
  386   1HB   ASN  54          1HB       ASN  54  -8.514   6.494  -8.194
  387   2HB   ASN  54          2HB       ASN  54  -8.172   5.019  -9.055
  388   1HD2  ASN  54          1HD2      ASN  54  -5.060   5.463  -6.573
  389   2HD2  ASN  54          2HD2      ASN  54  -5.224   6.423  -8.111
  390    H    ASP  55           H        ASP  55  -5.995   6.977 -12.129
  391    HA   ASP  55           HA       ASP  55  -8.346   6.524 -13.788
  392   1HB   ASP  55          1HB       ASP  55  -6.376   7.545 -14.749
  393   2HB   ASP  55          2HB       ASP  55  -5.329   6.210 -14.288
  394    H    GLY  56           H        GLY  56  -6.232   4.202 -12.222
  395   1HA   GLY  56          1HA       GLY  56  -8.458   2.299 -12.031
  396   2HA   GLY  56          2HA       GLY  56  -7.265   1.608 -13.137
  397    H    ARG  57           H        ARG  57  -4.893   1.937 -12.136
  398    HA   ARG  57           HA       ARG  57  -4.968   0.563  -9.393
  399   1HB   ARG  57          1HB       ARG  57  -2.891  -0.125 -11.507
  400   2HB   ARG  57          2HB       ARG  57  -3.546  -1.127 -10.213
  401   1HG   ARG  57          1HG       ARG  57  -5.849  -1.001 -11.532
  402   2HG   ARG  57          2HG       ARG  57  -4.919  -0.330 -12.870
  403   1HD   ARG  57          1HD       ARG  57  -3.631  -2.389 -13.162
  404   2HD   ARG  57          2HD       ARG  57  -4.032  -2.959 -11.543
  405    HE   ARG  57           HE       ARG  57  -5.844  -3.260 -13.895
  406   1HH1  ARG  57          2HH1      ARG  57  -5.902  -2.971 -10.441
  407   2HH1  ARG  57          1HH1      ARG  57  -7.495  -3.887 -10.342
  408   1HH2  ARG  57          1HH2      ARG  57  -7.551  -4.272 -13.745
  409   2HH2  ARG  57          2HH2      ARG  57  -8.390  -4.586 -12.146
  410    H    ILE  58           H        ILE  58  -2.579   0.211  -8.596
  411    HA   ILE  58           HA       ILE  58  -1.375   2.972  -8.212
  412    HB   ILE  58           HB       ILE  58  -1.443   0.476  -6.464
  413   1HG1  ILE  58          1HG1      ILE  58  -2.433   3.375  -6.075
  414   2HG1  ILE  58          2HG1      ILE  58  -3.408   1.940  -6.217
  415   1HG2  ILE  58          1HG2      ILE  58   0.921   1.362  -6.266
  416   2HG2  ILE  58          2HG2      ILE  58   0.302   2.979  -5.879
  417   3HG2  ILE  58          3HG2      ILE  58   0.038   1.617  -4.765
  418   1HD1  ILE  58          1HD1      ILE  58  -2.527   1.028  -4.018
  419   2HD1  ILE  58          2HD1      ILE  58  -1.625   2.548  -3.781
  420   3HD1  ILE  58          3HD1      ILE  58  -3.401   2.574  -3.866
  421    H    ASP  59           H        ASP  59   0.688   3.483  -8.801
  422    HA   ASP  59           HA       ASP  59   2.736   1.242  -9.168
  423   1HB   ASP  59          1HB       ASP  59   4.004   2.903 -10.556
  424   2HB   ASP  59          2HB       ASP  59   2.388   2.600 -11.176
  425    H    PHE  60           H        PHE  60   5.075   2.717  -8.910
  426    HA   PHE  60           HA       PHE  60   5.565   2.320  -6.001
  427   1HB   PHE  60          1HB       PHE  60   7.196   1.922  -7.998
  428   2HB   PHE  60          2HB       PHE  60   7.463   3.634  -8.032
  429    HD1  PHE  60           HD1      PHE  60   7.213   3.594  -4.683
  430    HD2  PHE  60           HD2      PHE  60   9.703   1.757  -7.662
  431    HE1  PHE  60           HE1      PHE  60   9.004   3.290  -3.011
  432    HE2  PHE  60           HE2      PHE  60  11.480   1.458  -5.995
  433    HZ   PHE  60           HZ       PHE  60  11.153   2.247  -3.673
  434    H    ASP  61           H        ASP  61   4.889   5.143  -7.945
  435    HA   ASP  61           HA       ASP  61   5.500   7.373  -6.096
  436   1HB   ASP  61          1HB       ASP  61   4.774   8.134  -8.228
  437   2HB   ASP  61          2HB       ASP  61   3.637   6.818  -8.451
  438    H    GLU  62           H        GLU  62   2.281   6.347  -6.841
  439    HA   GLU  62           HA       GLU  62   0.639   6.712  -4.555
  440   1HB   GLU  62          1HB       GLU  62   0.642   4.176  -6.251
  441   2HB   GLU  62          2HB       GLU  62  -0.659   4.706  -5.226
  442   1HG   GLU  62          1HG       GLU  62   0.302   6.448  -7.597
  443   2HG   GLU  62          2HG       GLU  62  -0.855   5.150  -7.826
  444    H    PHE  63           H        PHE  63   3.255   4.319  -4.728
  445    HA   PHE  63           HA       PHE  63   2.471   2.753  -2.277
  446   1HB   PHE  63          1HB       PHE  63   3.962   1.932  -4.199
  447   2HB   PHE  63          2HB       PHE  63   5.210   3.002  -3.659
  448    HD1  PHE  63           HD1      PHE  63   3.209   0.056  -2.291
  449    HD2  PHE  63           HD2      PHE  63   6.910   2.252  -2.266
  450    HE1  PHE  63           HE1      PHE  63   4.137  -1.491  -0.604
  451    HE2  PHE  63           HE2      PHE  63   7.832   0.670  -0.639
  452    HZ   PHE  63           HZ       PHE  63   6.391  -1.086   0.335
  453    H    LEU  64           H        LEU  64   5.055   5.144  -2.894
  454    HA   LEU  64           HA       LEU  64   5.909   5.707  -0.234
  455   1HB   LEU  64          1HB       LEU  64   5.762   7.532  -2.682
  456   2HB   LEU  64          2HB       LEU  64   6.454   8.106  -1.186
  457    HG   LEU  64           HG       LEU  64   7.503   5.572  -2.577
  458   1HD1  LEU  64          1HD1      LEU  64   8.383   8.507  -3.027
  459   2HD1  LEU  64          2HD1      LEU  64   9.303   7.074  -3.560
  460   3HD1  LEU  64          3HD1      LEU  64   7.690   7.369  -4.216
  461   1HD2  LEU  64          1HD2      LEU  64   8.783   7.484  -0.488
  462   2HD2  LEU  64          2HD2      LEU  64   8.305   5.781  -0.232
  463   3HD2  LEU  64          3HD2      LEU  64   9.643   6.166  -1.322
  464    H    LYS  65           H        LYS  65   3.219   7.397  -1.875
  465    HA   LYS  65           HA       LYS  65   2.512   9.122   0.418
  466   1HB   LYS  65          1HB       LYS  65   1.082   8.253  -2.159
  467   2HB   LYS  65          2HB       LYS  65   0.486   9.555  -1.148
  468   1HG   LYS  65          1HG       LYS  65   3.055  10.493  -1.666
  469   2HG   LYS  65          2HG       LYS  65   2.847   9.428  -3.069
  470   1HD   LYS  65          1HD       LYS  65   1.065  10.613  -3.968
  471   2HD   LYS  65          2HD       LYS  65   0.454  11.194  -2.416
  472   1HE   LYS  65          1HE       LYS  65   1.960  13.104  -2.464
  473   2HE   LYS  65          2HE       LYS  65   3.113  12.276  -3.526
  474   1HZ   LYS  65          1HZ       LYS  65   0.333  12.775  -4.608
  475   2HZ   LYS  65          2HZ       LYS  65   1.438  13.997  -4.685
  476   3HZ   LYS  65          3HZ       LYS  65   1.698  12.573  -5.434
  477    H    MET  66           H        MET  66   1.357   5.938  -0.633
  478    HA   MET  66           HA       MET  66  -0.879   5.779   1.274
  479   1HB   MET  66          1HB       MET  66  -1.114   4.565  -0.764
  480   2HB   MET  66          2HB       MET  66   0.477   3.843  -0.650
  481   1HG   MET  66          1HG       MET  66  -1.306   2.991   1.608
  482   2HG   MET  66          2HG       MET  66  -1.878   2.495   0.004
  483   1HE   MET  66          1HE       MET  66   0.069   1.683  -1.888
  484   2HE   MET  66          2HE       MET  66   0.587   0.051  -1.373
  485   3HE   MET  66          3HE       MET  66  -1.128   0.537  -1.211
  486    H    MET  67           H        MET  67   2.242   3.995   1.272
  487    HA   MET  67           HA       MET  67   1.957   2.819   4.003
  488   1HB   MET  67          1HB       MET  67   4.056   1.885   3.677
  489   2HB   MET  67          2HB       MET  67   3.586   2.149   2.008
  490   1HG   MET  67          1HG       MET  67   5.253   3.675   1.584
  491   2HG   MET  67          2HG       MET  67   5.076   4.503   3.142
  492   1HE   MET  67          1HE       MET  67   7.563   4.342   1.952
  493   2HE   MET  67          2HE       MET  67   8.051   4.466   3.671
  494   3HE   MET  67          3HE       MET  67   8.799   3.227   2.619
  495    H    GLU  68           H        GLU  68   3.242   5.932   2.789
  496    HA   GLU  68           HA       GLU  68   3.818   7.045   5.417
  497   1HB   GLU  68          1HB       GLU  68   4.584   8.035   3.310
  498   2HB   GLU  68          2HB       GLU  68   2.965   8.467   2.850
  499   1HG   GLU  68          1HG       GLU  68   4.537  10.351   3.828
  500   2HG   GLU  68          2HG       GLU  68   2.871  10.331   4.377
  501    H    GLY  69           H        GLY  69   0.808   7.604   3.561
  502   1HA   GLY  69          1HA       GLY  69  -1.525   7.679   4.303
  503   2HA   GLY  69          2HA       GLY  69  -0.953   6.360   5.331
  504    H    VAL  70           H        VAL  70  -2.443   6.840   6.902
  505    HA   VAL  70           HA       VAL  70  -2.102   9.439   8.490
  506    HB   VAL  70           HB       VAL  70  -4.505   7.682   7.893
  507   1HG1  VAL  70          1HG1      VAL  70  -4.353   9.630  10.305
  508   2HG1  VAL  70          2HG1      VAL  70  -5.854   8.914   9.663
  509   3HG1  VAL  70          3HG1      VAL  70  -4.627   7.873  10.387
  510   1HG2  VAL  70          1HG2      VAL  70  -4.118   9.742   6.480
  511   2HG2  VAL  70          2HG2      VAL  70  -5.612   9.876   7.394
  512   3HG2  VAL  70          3HG2      VAL  70  -4.159  10.774   7.926
  513    H    GLN  71           H        GLN  71  -2.178   9.343  10.789
  514    HA   GLN  71           HA       GLN  71  -0.092   7.393  11.573
  515   1HB   GLN  71          1HB       GLN  71  -1.106  10.038  12.532
  516   2HB   GLN  71          2HB       GLN  71  -0.427   9.023  13.802
  517   1HG   GLN  71          1HG       GLN  71   1.231   9.121  11.276
  518   2HG   GLN  71          2HG       GLN  71   1.054  10.690  12.039
  519   1HE2  GLN  71          1HE2      GLN  71   3.232   9.808  14.739
  520   2HE2  GLN  71          2HE2      GLN  71   1.929  10.972  14.133
  521   1HN   NH2  72          1HN       NH2  72  -0.796   5.295  12.075
  522   2HN   NH2  72          2HN       NH2  72  -1.994   4.914  13.340
   
  No H/Q in entry =         522
  Start of MODEL    4
    1   1H    ACE   1          1HH3      ACE   1  19.294  10.240   1.416
    2   2H    ACE   1          2HH3      ACE   1  20.015  11.670   0.595
    3   3H    ACE   1          3HH3      ACE   1  18.370  11.753   1.287
    4    H    LYS   2           H        LYS   2  20.206   9.962  -1.267
    5    HA   LYS   2           HA       LYS   2  17.708   9.524  -2.837
    6   1HB   LYS   2          1HB       LYS   2  20.199   7.954  -3.484
    7   2HB   LYS   2          2HB       LYS   2  19.069   8.704  -4.589
    8   1HG   LYS   2          1HG       LYS   2  21.240  10.163  -2.870
    9   2HG   LYS   2          2HG       LYS   2  21.396   9.774  -4.564
   10   1HD   LYS   2          1HD       LYS   2  19.104  11.580  -3.556
   11   2HD   LYS   2          2HD       LYS   2  20.707  12.241  -3.880
   12   1HE   LYS   2          1HE       LYS   2  20.659  11.413  -6.236
   13   2HE   LYS   2          2HE       LYS   2  19.079  10.644  -6.003
   14   1HZ   LYS   2          1HZ       LYS   2  18.651  13.234  -5.075
   15   2HZ   LYS   2          2HZ       LYS   2  19.656  13.586  -6.223
   16   3HZ   LYS   2          3HZ       LYS   2  18.230  12.810  -6.578
   17    H    SER   3           H        SER   3  17.324   8.507  -0.345
   18    HA   SER   3           HA       SER   3  18.053   5.591  -0.195
   19   1HB   SER   3          1HB       SER   3  16.975   7.674   1.760
   20   2HB   SER   3          2HB       SER   3  17.065   5.994   2.233
   21    HG   SER   3           HG       SER   3  19.074   7.867   1.791
   22    H    GLU   4           H        GLU   4  16.712   4.576  -1.675
   23    HA   GLU   4           HA       GLU   4  13.879   4.104  -0.740
   24   1HB   GLU   4          1HB       GLU   4  12.726   4.276  -2.750
   25   2HB   GLU   4          2HB       GLU   4  13.625   5.748  -2.470
   26   1HG   GLU   4          1HG       GLU   4  15.368   4.609  -4.266
   27   2HG   GLU   4          2HG       GLU   4  13.925   3.725  -4.747
   28    H    GLU   5           H        GLU   5  16.686   2.751  -0.992
   29    HA   GLU   5           HA       GLU   5  16.430   0.507  -2.755
   30   1HB   GLU   5          1HB       GLU   5  18.311  -0.046  -0.651
   31   2HB   GLU   5          2HB       GLU   5  18.594   0.492  -2.369
   32   1HG   GLU   5          1HG       GLU   5  18.517   2.900  -1.487
   33   2HG   GLU   5          2HG       GLU   5  18.480   2.265   0.148
   34    H    GLU   6           H        GLU   6  16.159   0.277   0.821
   35    HA   GLU   6           HA       GLU   6  15.098  -2.438   0.761
   36   1HB   GLU   6          1HB       GLU   6  16.264  -1.890   2.677
   37   2HB   GLU   6          2HB       GLU   6  15.477  -0.358   2.907
   38   1HG   GLU   6          1HG       GLU   6  13.680  -1.296   4.146
   39   2HG   GLU   6          2HG       GLU   6  13.696  -2.817   3.271
   40    H    LEU   7           H        LEU   7  13.394   0.630   0.777
   41    HA   LEU   7           HA       LEU   7  10.587  -0.389   1.013
   42   1HB   LEU   7          1HB       LEU   7  11.788   2.160  -0.188
   43   2HB   LEU   7          2HB       LEU   7  10.075   1.825  -0.255
   44    HG   LEU   7           HG       LEU   7  11.458   3.177   1.808
   45   1HD1  LEU   7          1HD1      LEU   7   9.108   3.568   1.091
   46   2HD1  LEU   7          2HD1      LEU   7   8.589   2.017   1.801
   47   3HD1  LEU   7          3HD1      LEU   7   9.185   3.335   2.844
   48   1HD2  LEU   7          1HD2      LEU   7  10.483   0.422   2.871
   49   2HD2  LEU   7          2HD2      LEU   7  12.149   1.061   2.930
   50   3HD2  LEU   7          3HD2      LEU   7  10.882   1.832   3.888
   51    H    ALA   8           H        ALA   8  12.819   0.076  -1.735
   52    HA   ALA   8           HA       ALA   8  10.986  -1.005  -3.759
   53   1HB   ALA   8          1HB       ALA   8  14.056  -0.614  -3.759
   54   2HB   ALA   8          2HB       ALA   8  13.068  -0.944  -5.196
   55   3HB   ALA   8          3HB       ALA   8  12.828   0.557  -4.294
   56    H    ASN   9           H        ASN   9  13.831  -2.612  -2.236
   57    HA   ASN   9           HA       ASN   9  13.423  -5.376  -2.910
   58   1HB   ASN   9          1HB       ASN   9  14.188  -4.089  -0.201
   59   2HB   ASN   9          2HB       ASN   9  14.206  -5.813  -0.452
   60   1HD2  ASN   9          1HD2      ASN   9  17.646  -4.814  -1.122
   61   2HD2  ASN   9          2HD2      ASN   9  16.501  -5.088   0.266
   62    H    ALA  10           H        ALA  10  11.741  -3.693  -0.228
   63    HA   ALA  10           HA       ALA  10   9.844  -5.829   0.439
   64   1HB   ALA  10          1HB       ALA  10  10.526  -3.953   1.948
   65   2HB   ALA  10          2HB       ALA  10   9.655  -2.776   0.930
   66   3HB   ALA  10          3HB       ALA  10   8.759  -4.038   1.803
   67    H    PHE  11           H        PHE  11   9.483  -3.071  -1.777
   68    HA   PHE  11           HA       PHE  11   6.639  -3.445  -2.390
   69   1HB   PHE  11          1HB       PHE  11   7.915  -1.301  -2.617
   70   2HB   PHE  11          2HB       PHE  11   8.829  -1.956  -3.934
   71    HD1  PHE  11           HD1      PHE  11   5.320  -0.898  -3.028
   72    HD2  PHE  11           HD2      PHE  11   8.048  -1.871  -6.210
   73    HE1  PHE  11           HE1      PHE  11   3.761   0.064  -4.675
   74    HE2  PHE  11           HE2      PHE  11   6.461  -0.938  -7.842
   75    HZ   PHE  11           HZ       PHE  11   4.352   0.081  -7.079
   76    H    ARG  12           H        ARG  12   9.518  -4.606  -4.182
   77    HA   ARG  12           HA       ARG  12   7.963  -6.321  -5.998
   78   1HB   ARG  12          1HB       ARG  12  10.093  -5.837  -6.808
   79   2HB   ARG  12          2HB       ARG  12  10.890  -6.051  -5.254
   80   1HG   ARG  12          1HG       ARG  12  10.582  -8.567  -5.440
   81   2HG   ARG  12          2HG       ARG  12   9.752  -8.365  -6.988
   82   1HD   ARG  12          1HD       ARG  12  12.652  -7.405  -6.479
   83   2HD   ARG  12          2HD       ARG  12  12.243  -9.001  -7.167
   84    HE   ARG  12           HE       ARG  12  11.165  -7.834  -9.143
   85   1HH1  ARG  12          2HH1      ARG  12  13.040  -5.754  -7.101
   86   2HH1  ARG  12          1HH1      ARG  12  13.218  -4.492  -8.413
   87   1HH2  ARG  12          1HH2      ARG  12  11.388  -6.421 -10.599
   88   2HH2  ARG  12          2HH2      ARG  12  12.307  -4.872 -10.310
   89    H    ILE  13           H        ILE  13   9.371  -6.964  -2.784
   90    HA   ILE  13           HA       ILE  13   9.264  -9.932  -3.070
   91    HB   ILE  13           HB       ILE  13  10.035  -8.111  -0.737
   92   1HG1  ILE  13          1HG1      ILE  13  11.614  -8.715  -2.904
   93   2HG1  ILE  13          2HG1      ILE  13  12.240  -8.371  -1.314
   94   1HG2  ILE  13          1HG2      ILE  13   9.063 -10.207   0.283
   95   2HG2  ILE  13          2HG2      ILE  13  10.118 -11.219  -0.731
   96   3HG2  ILE  13          3HG2      ILE  13  10.799 -10.177   0.534
   97   1HD1  ILE  13          1HD1      ILE  13  12.402 -10.816  -0.738
   98   2HD1  ILE  13          2HD1      ILE  13  11.831 -11.233  -2.373
   99   3HD1  ILE  13          3HD1      ILE  13  13.369 -10.373  -2.163
  100    H    PHE  14           H        PHE  14   7.247  -7.490  -1.565
  101    HA   PHE  14           HA       PHE  14   5.053  -9.216  -0.489
  102   1HB   PHE  14          1HB       PHE  14   5.090  -6.384  -1.720
  103   2HB   PHE  14          2HB       PHE  14   3.622  -7.148  -1.207
  104    HD1  PHE  14           HD1      PHE  14   6.348  -8.090   1.007
  105    HD2  PHE  14           HD2      PHE  14   3.517  -4.964   0.197
  106    HE1  PHE  14           HE1      PHE  14   6.667  -7.209   3.284
  107    HE2  PHE  14           HE2      PHE  14   3.856  -4.074   2.468
  108    HZ   PHE  14           HZ       PHE  14   5.401  -5.224   4.034
  109    H    ASP  15           H        ASP  15   5.493  -7.599  -3.658
  110    HA   ASP  15           HA       ASP  15   2.992  -8.736  -4.692
  111   1HB   ASP  15          1HB       ASP  15   3.813  -6.403  -5.100
  112   2HB   ASP  15          2HB       ASP  15   5.140  -7.007  -6.079
  113    H    LYS  16           H        LYS  16   2.637 -10.001  -6.682
  114    HA   LYS  16           HA       LYS  16   4.710 -12.211  -6.813
  115   1HB   LYS  16          1HB       LYS  16   1.779 -13.025  -6.585
  116   2HB   LYS  16          2HB       LYS  16   3.199 -13.991  -6.294
  117   1HG   LYS  16          1HG       LYS  16   3.274 -13.366  -4.032
  118   2HG   LYS  16          2HG       LYS  16   2.910 -11.681  -4.383
  119   1HD   LYS  16          1HD       LYS  16   1.016 -12.415  -3.130
  120   2HD   LYS  16          2HD       LYS  16   0.479 -12.354  -4.808
  121   1HE   LYS  16          1HE       LYS  16   1.278 -15.007  -4.711
  122   2HE   LYS  16          2HE       LYS  16   0.688 -14.790  -3.050
  123   1HZ   LYS  16          1HZ       LYS  16  -1.147 -13.365  -4.618
  124   2HZ   LYS  16          2HZ       LYS  16  -0.909 -14.701  -5.545
  125   3HZ   LYS  16          3HZ       LYS  16  -1.450 -14.837  -3.990
  126    H    ASN  17           H        ASN  17   3.329  -9.984  -8.607
  127    HA   ASN  17           HA       ASN  17   2.737 -11.391 -11.151
  128   1HB   ASN  17          1HB       ASN  17   0.656 -11.316  -9.009
  129   2HB   ASN  17          2HB       ASN  17   0.072 -10.758 -10.553
  130   1HD2  ASN  17          1HD2      ASN  17  -0.402 -14.477 -10.112
  131   2HD2  ASN  17          2HD2      ASN  17  -0.412 -13.230  -8.821
  132    H    ALA  18           H        ALA  18   3.672  -9.621 -12.181
  133    HA   ALA  18           HA       ALA  18   4.203  -7.354 -12.809
  134   1HB   ALA  18          1HB       ALA  18   1.753  -7.224 -13.400
  135   2HB   ALA  18          2HB       ALA  18   1.381  -6.757 -11.726
  136   3HB   ALA  18          3HB       ALA  18   2.353  -5.677 -12.740
  137    H    ASP  19           H        ASP  19   5.654  -7.903 -10.766
  138    HA   ASP  19           HA       ASP  19   5.650  -6.339  -8.417
  139   1HB   ASP  19          1HB       ASP  19   8.131  -6.442  -8.511
  140   2HB   ASP  19          2HB       ASP  19   7.424  -7.967  -9.026
  141    H    GLY  20           H        GLY  20   5.534  -5.021 -11.574
  142   1HA   GLY  20          1HA       GLY  20   6.532  -2.270 -11.267
  143   2HA   GLY  20          2HA       GLY  20   5.188  -2.745 -12.313
  144    H    TYR  21           H        TYR  21   3.169  -3.453 -10.721
  145    HA   TYR  21           HA       TYR  21   2.532  -0.849  -9.198
  146   1HB   TYR  21          1HB       TYR  21   0.445  -2.378 -10.859
  147   2HB   TYR  21          2HB       TYR  21   0.271  -0.828 -10.090
  148    HD1  TYR  21           HD1      TYR  21   3.448  -0.422 -11.366
  149    HD2  TYR  21           HD2      TYR  21  -0.586  -0.863 -12.792
  150    HE1  TYR  21           HE1      TYR  21   4.063   0.684 -13.479
  151    HE2  TYR  21           HE2      TYR  21   0.064   0.237 -14.909
  152    HH   TYR  21           HH       TYR  21   1.867   1.969 -15.534
  153    H    ILE  22           H        ILE  22   1.294  -1.039  -7.340
  154    HA   ILE  22           HA       ILE  22   0.254  -3.790  -6.496
  155    HB   ILE  22           HB       ILE  22   0.692  -1.271  -4.804
  156   1HG1  ILE  22          1HG1      ILE  22   2.326  -3.867  -5.039
  157   2HG1  ILE  22          2HG1      ILE  22   2.882  -2.224  -5.200
  158   1HG2  ILE  22          1HG2      ILE  22  -1.258  -2.613  -3.896
  159   2HG2  ILE  22          2HG2      ILE  22  -0.255  -4.075  -3.850
  160   3HG2  ILE  22          3HG2      ILE  22   0.101  -2.690  -2.788
  161   1HD1  ILE  22          1HD1      ILE  22   2.463  -1.782  -2.726
  162   2HD1  ILE  22          2HD1      ILE  22   2.090  -3.513  -2.526
  163   3HD1  ILE  22          3HD1      ILE  22   3.706  -3.013  -3.066
  164    H    ASP  23           H        ASP  23  -1.883  -4.030  -5.694
  165    HA   ASP  23           HA       ASP  23  -3.897  -2.117  -6.981
  166   1HB   ASP  23          1HB       ASP  23  -5.172  -3.990  -7.901
  167   2HB   ASP  23          2HB       ASP  23  -3.503  -4.142  -8.433
  168    H    ILE  24           H        ILE  24  -6.201  -2.611  -6.164
  169    HA   ILE  24           HA       ILE  24  -6.120  -1.873  -3.246
  170    HB   ILE  24           HB       ILE  24  -7.761  -0.973  -5.131
  171   1HG1  ILE  24          1HG1      ILE  24  -9.286  -1.428  -2.534
  172   2HG1  ILE  24          2HG1      ILE  24  -7.742  -0.632  -2.394
  173   1HG2  ILE  24          1HG2      ILE  24  -8.861  -3.187  -5.705
  174   2HG2  ILE  24          2HG2      ILE  24  -9.445  -3.344  -4.036
  175   3HG2  ILE  24          3HG2      ILE  24 -10.054  -2.050  -5.100
  176   1HD1  ILE  24          1HD1      ILE  24  -8.441   1.136  -4.088
  177   2HD1  ILE  24          2HD1      ILE  24 -10.083   0.446  -4.066
  178   3HD1  ILE  24          3HD1      ILE  24  -9.393   1.132  -2.580
  179    H    GLU  25           H        GLU  25  -6.769  -4.735  -5.141
  180    HA   GLU  25           HA       GLU  25  -8.081  -6.264  -2.916
  181   1HB   GLU  25          1HB       GLU  25  -9.017  -6.744  -4.981
  182   2HB   GLU  25          2HB       GLU  25  -7.499  -6.835  -5.823
  183   1HG   GLU  25          1HG       GLU  25  -7.965  -9.122  -5.798
  184   2HG   GLU  25          2HG       GLU  25  -7.178  -9.078  -4.231
  185    H    GLU  26           H        GLU  26  -4.855  -6.093  -4.269
  186    HA   GLU  26           HA       GLU  26  -3.761  -8.325  -2.588
  187   1HB   GLU  26          1HB       GLU  26  -2.462  -6.369  -4.517
  188   2HB   GLU  26          2HB       GLU  26  -1.491  -7.392  -3.503
  189   1HG   GLU  26          1HG       GLU  26  -2.582  -9.464  -4.576
  190   2HG   GLU  26          2HG       GLU  26  -3.521  -8.413  -5.620
  191    H    LEU  27           H        LEU  27  -4.175  -4.915  -2.150
  192    HA   LEU  27           HA       LEU  27  -2.070  -4.176  -0.220
  193   1HB   LEU  27          1HB       LEU  27  -3.603  -2.579  -1.375
  194   2HB   LEU  27          2HB       LEU  27  -4.969  -3.192  -0.480
  195    HG   LEU  27           HG       LEU  27  -2.587  -1.992   1.040
  196   1HD1  LEU  27          1HD1      LEU  27  -3.223  -0.324  -0.705
  197   2HD1  LEU  27          2HD1      LEU  27  -4.928  -0.366  -0.176
  198   3HD1  LEU  27          3HD1      LEU  27  -3.645   0.244   0.909
  199   1HD2  LEU  27          1HD2      LEU  27  -5.624  -2.101   1.707
  200   2HD2  LEU  27          2HD2      LEU  27  -4.351  -3.134   2.424
  201   3HD2  LEU  27          3HD2      LEU  27  -4.339  -1.393   2.725
  202    H    GLY  28           H        GLY  28  -5.413  -4.560   0.895
  203   1HA   GLY  28          1HA       GLY  28  -5.165  -5.179   3.547
  204   2HA   GLY  28          2HA       GLY  28  -6.376  -6.061   2.609
  205    H    GLU  29           H        GLU  29  -4.691  -7.737   1.098
  206    HA   GLU  29           HA       GLU  29  -4.290  -9.919   3.053
  207   1HB   GLU  29          1HB       GLU  29  -3.716  -9.902   0.055
  208   2HB   GLU  29          2HB       GLU  29  -3.684 -11.319   1.060
  209   1HG   GLU  29          1HG       GLU  29  -6.295 -10.447   1.580
  210   2HG   GLU  29          2HG       GLU  29  -6.081  -9.813  -0.042
  211    H    ILE  30           H        ILE  30  -2.033  -7.817   1.388
  212    HA   ILE  30           HA       ILE  30   0.525  -8.897   2.476
  213    HB   ILE  30           HB       ILE  30  -0.335  -6.099   1.610
  214   1HG1  ILE  30          1HG1      ILE  30   0.191  -7.414  -0.348
  215   2HG1  ILE  30          2HG1      ILE  30   1.560  -6.369  -0.084
  216   1HG2  ILE  30          1HG2      ILE  30   1.269  -5.765   3.527
  217   2HG2  ILE  30          2HG2      ILE  30   2.456  -6.842   2.746
  218   3HG2  ILE  30          3HG2      ILE  30   2.015  -5.276   2.009
  219   1HD1  ILE  30          1HD1      ILE  30   1.607  -9.361   0.696
  220   2HD1  ILE  30          2HD1      ILE  30   2.362  -8.601  -0.720
  221   3HD1  ILE  30          3HD1      ILE  30   2.932  -8.187   0.908
  222    H    LEU  31           H        LEU  31  -1.639  -6.302   3.734
  223    HA   LEU  31           HA       LEU  31   0.132  -5.763   6.056
  224   1HB   LEU  31          1HB       LEU  31  -2.747  -4.875   6.168
  225   2HB   LEU  31          2HB       LEU  31  -1.299  -4.012   6.624
  226    HG   LEU  31           HG       LEU  31  -1.138  -4.345   3.756
  227   1HD1  LEU  31          1HD1      LEU  31  -3.932  -3.406   4.696
  228   2HD1  LEU  31          2HD1      LEU  31  -3.277  -3.210   3.048
  229   3HD1  LEU  31          3HD1      LEU  31  -3.540  -4.832   3.695
  230   1HD2  LEU  31          1HD2      LEU  31  -1.824  -1.866   5.493
  231   2HD2  LEU  31          2HD2      LEU  31  -0.204  -2.358   4.926
  232   3HD2  LEU  31          3HD2      LEU  31  -1.413  -1.811   3.759
  233    H    ARG  32           H        ARG  32  -2.588  -7.904   5.632
  234    HA   ARG  32           HA       ARG  32  -2.663  -8.556   8.626
  235   1HB   ARG  32          1HB       ARG  32  -4.652  -8.407   6.318
  236   2HB   ARG  32          2HB       ARG  32  -5.062  -9.413   7.707
  237   1HG   ARG  32          1HG       ARG  32  -4.917  -7.421   9.219
  238   2HG   ARG  32          2HG       ARG  32  -4.227  -6.442   7.911
  239   1HD   ARG  32          1HD       ARG  32  -6.332  -6.551   6.592
  240   2HD   ARG  32          2HD       ARG  32  -7.037  -7.740   7.710
  241    HE   ARG  32           HE       ARG  32  -6.413  -5.603   9.452
  242   1HH1  ARG  32          2HH1      ARG  32  -8.242  -5.700   6.500
  243   2HH1  ARG  32          1HH1      ARG  32  -9.291  -4.296   7.017
  244   1HH2  ARG  32          1HH2      ARG  32  -7.607  -4.019   9.996
  245   2HH2  ARG  32          2HH2      ARG  32  -8.925  -3.399   8.898
  246    H    ALA  33           H        ALA  33  -2.481 -10.078   5.427
  247    HA   ALA  33           HA       ALA  33  -3.066 -12.800   6.568
  248   1HB   ALA  33          1HB       ALA  33  -4.397 -11.857   4.686
  249   2HB   ALA  33          2HB       ALA  33  -2.941 -11.761   3.659
  250   3HB   ALA  33          3HB       ALA  33  -3.572 -13.340   4.176
  251    H    THR  34           H        THR  34  -1.525 -14.264   7.047
  252    HA   THR  34           HA       THR  34   1.088 -14.467   5.659
  253    HB   THR  34           HB       THR  34   0.508 -15.190   8.095
  254    HG1  THR  34           HG1      THR  34   2.024 -16.815   8.069
  255   1HG2  THR  34          2HG2      THR  34  -1.431 -16.748   7.408
  256   2HG2  THR  34          3HG2      THR  34  -0.237 -17.836   6.657
  257   3HG2  THR  34          1HG2      THR  34  -0.199 -17.560   8.407
  258    H    GLY  35           H        GLY  35   1.582 -15.591   3.784
  259   1HA   GLY  35          1HA       GLY  35   0.404 -18.377   3.407
  260   2HA   GLY  35          2HA       GLY  35   0.120 -17.233   2.091
  261   1HN   NH2  36          1HN       NH2  36   3.251 -16.815   3.674
  262   2HN   NH2  36          2HN       NH2  36   4.232 -17.681   2.461
  263   1H    ACE  37          1HH3      ACE  37 -12.066  -3.640  14.531
  264   2H    ACE  37          2HH3      ACE  37 -13.367  -2.770  13.647
  265   3H    ACE  37          3HH3      ACE  37 -13.769  -4.136  14.720
  266    H    VAL  38           H        VAL  38 -11.676  -3.474  11.881
  267    HA   VAL  38           HA       VAL  38 -11.257  -4.734   9.871
  268    HB   VAL  38           HB       VAL  38 -12.470  -7.239  11.061
  269   1HG1  VAL  38          1HG1      VAL  38  -9.867  -6.676   9.461
  270   2HG1  VAL  38          2HG1      VAL  38 -10.345  -8.282  10.058
  271   3HG1  VAL  38          3HG1      VAL  38 -11.336  -7.458   8.850
  272   1HG2  VAL  38          1HG2      VAL  38 -11.229  -6.261  13.041
  273   2HG2  VAL  38          2HG2      VAL  38 -10.381  -7.690  12.411
  274   3HG2  VAL  38          3HG2      VAL  38  -9.777  -6.058  12.037
  275    H    THR  39           H        THR  39 -12.699  -3.578   8.656
  276    HA   THR  39           HA       THR  39 -14.849  -5.270   7.468
  277    HB   THR  39           HB       THR  39 -16.726  -3.801   7.524
  278    HG1  THR  39           HG1      THR  39 -16.592  -1.811   8.723
  279   1HG2  THR  39          2HG2      THR  39 -15.415  -3.721  10.333
  280   2HG2  THR  39          3HG2      THR  39 -17.146  -3.468   9.997
  281   3HG2  THR  39          1HG2      THR  39 -16.402  -5.050   9.679
  282    H    GLU  40           H        GLU  40 -15.451  -4.492   5.308
  283    HA   GLU  40           HA       GLU  40 -12.948  -3.691   3.864
  284   1HB   GLU  40          1HB       GLU  40 -13.832  -4.582   1.934
  285   2HB   GLU  40          2HB       GLU  40 -14.437  -5.624   3.186
  286   1HG   GLU  40          1HG       GLU  40 -16.696  -4.167   3.000
  287   2HG   GLU  40          2HG       GLU  40 -16.031  -3.616   1.473
  288    H    GLU  41           H        GLU  41 -15.918  -2.038   4.704
  289    HA   GLU  41           HA       GLU  41 -15.620   0.293   3.059
  290   1HB   GLU  41          1HB       GLU  41 -16.894  -0.082   5.790
  291   2HB   GLU  41          2HB       GLU  41 -16.873   1.484   5.038
  292   1HG   GLU  41          1HG       GLU  41 -19.038   0.089   4.714
  293   2HG   GLU  41          2HG       GLU  41 -18.383   0.787   3.244
  294    H    ASP  42           H        ASP  42 -13.934  -0.383   6.078
  295    HA   ASP  42           HA       ASP  42 -12.524   2.215   6.412
  296   1HB   ASP  42          1HB       ASP  42 -12.115  -0.631   7.473
  297   2HB   ASP  42          2HB       ASP  42 -10.881   0.590   7.749
  298    H    ILE  43           H        ILE  43 -11.636  -0.813   4.760
  299    HA   ILE  43           HA       ILE  43  -9.086   0.110   3.537
  300    HB   ILE  43           HB       ILE  43 -11.038  -2.103   2.776
  301   1HG1  ILE  43          1HG1      ILE  43  -9.704  -3.112   4.396
  302   2HG1  ILE  43          2HG1      ILE  43  -8.723  -3.448   2.995
  303   1HG2  ILE  43          1HG2      ILE  43 -10.178  -1.231   0.568
  304   2HG2  ILE  43          2HG2      ILE  43  -8.503  -1.345   1.145
  305   3HG2  ILE  43          3HG2      ILE  43  -9.482  -2.812   0.892
  306   1HD1  ILE  43          1HD1      ILE  43  -7.230  -1.459   3.467
  307   2HD1  ILE  43          2HD1      ILE  43  -8.118  -1.179   4.988
  308   3HD1  ILE  43          3HD1      ILE  43  -7.221  -2.693   4.746
  309    H    GLU  44           H        GLU  44 -12.496   0.387   2.495
  310    HA   GLU  44           HA       GLU  44 -11.810   1.371  -0.254
  311   1HB   GLU  44          1HB       GLU  44 -14.278   0.559   1.171
  312   2HB   GLU  44          2HB       GLU  44 -14.531   1.910   0.109
  313   1HG   GLU  44          1HG       GLU  44 -13.033  -0.064  -1.443
  314   2HG   GLU  44          2HG       GLU  44 -14.280  -0.945  -0.580
  315    H    ASP  45           H        ASP  45 -12.810   2.860   2.778
  316    HA   ASP  45           HA       ASP  45 -12.875   5.667   1.689
  317   1HB   ASP  45          1HB       ASP  45 -13.139   4.523   4.537
  318   2HB   ASP  45          2HB       ASP  45 -13.207   6.245   4.189
  319    H    LEU  46           H        LEU  46 -10.535   3.631   3.360
  320    HA   LEU  46           HA       LEU  46  -8.358   5.627   3.628
  321   1HB   LEU  46          1HB       LEU  46  -8.443   3.421   4.779
  322   2HB   LEU  46          2HB       LEU  46  -8.230   2.574   3.265
  323    HG   LEU  46           HG       LEU  46  -6.064   4.549   4.181
  324   1HD1  LEU  46          1HD1      LEU  46  -6.597   1.744   5.273
  325   2HD1  LEU  46          2HD1      LEU  46  -4.952   2.393   5.208
  326   3HD1  LEU  46          3HD1      LEU  46  -6.197   3.230   6.181
  327   1HD2  LEU  46          1HD2      LEU  46  -6.042   3.407   1.841
  328   2HD2  LEU  46          2HD2      LEU  46  -4.557   3.200   2.815
  329   3HD2  LEU  46          3HD2      LEU  46  -5.754   1.879   2.675
  330    H    MET  47           H        MET  47  -8.799   3.259   0.967
  331    HA   MET  47           HA       MET  47  -6.908   4.756  -0.788
  332   1HB   MET  47          1HB       MET  47  -7.181   2.224  -0.743
  333   2HB   MET  47          2HB       MET  47  -8.750   2.405  -1.509
  334   1HG   MET  47          1HG       MET  47  -7.857   2.665  -3.612
  335   2HG   MET  47          2HG       MET  47  -6.676   3.868  -3.061
  336   1HE   MET  47          1HE       MET  47  -6.695   1.224  -5.106
  337   2HE   MET  47          2HE       MET  47  -5.364   2.417  -5.131
  338   3HE   MET  47          3HE       MET  47  -4.989   0.678  -4.954
  339    H    LYS  48           H        LYS  48 -10.119   5.510  -0.084
  340    HA   LYS  48           HA       LYS  48 -10.255   7.177  -2.623
  341   1HB   LYS  48          1HB       LYS  48 -12.154   6.450  -0.373
  342   2HB   LYS  48          2HB       LYS  48 -12.512   7.907  -1.248
  343   1HG   LYS  48          1HG       LYS  48 -13.713   5.720  -2.048
  344   2HG   LYS  48          2HG       LYS  48 -12.995   6.696  -3.291
  345   1HD   LYS  48          1HD       LYS  48 -11.251   5.237  -3.794
  346   2HD   LYS  48          2HD       LYS  48 -11.149   4.510  -2.225
  347   1HE   LYS  48          1HE       LYS  48 -12.040   2.798  -3.755
  348   2HE   LYS  48          2HE       LYS  48 -13.388   3.273  -2.736
  349   1HZ   LYS  48          1HZ       LYS  48 -13.613   5.103  -4.842
  350   2HZ   LYS  48          2HZ       LYS  48 -13.205   3.699  -5.620
  351   3HZ   LYS  48          3HZ       LYS  48 -14.505   3.810  -4.640
  352    H    ASP  49           H        ASP  49  -9.570   7.466   0.800
  353    HA   ASP  49           HA       ASP  49  -9.624  10.485   0.919
  354   1HB   ASP  49          1HB       ASP  49 -10.162   9.037   2.930
  355   2HB   ASP  49          2HB       ASP  49  -8.497   8.476   2.974
  356    H    SER  50           H        SER  50  -7.147   7.978   0.524
  357    HA   SER  50           HA       SER  50  -4.829   9.928   0.580
  358   1HB   SER  50          1HB       SER  50  -3.423   8.058   0.688
  359   2HB   SER  50          2HB       SER  50  -4.870   7.394   1.441
  360    HG   SER  50           HG       SER  50  -3.867   6.096  -0.232
  361    H    ASP  51           H        ASP  51  -6.953   8.491  -1.751
  362    HA   ASP  51           HA       ASP  51  -4.929   8.045  -3.844
  363   1HB   ASP  51          1HB       ASP  51  -7.056   6.647  -3.205
  364   2HB   ASP  51          2HB       ASP  51  -7.973   7.762  -4.208
  365    H    LYS  52           H        LYS  52  -4.471   9.021  -5.697
  366    HA   LYS  52           HA       LYS  52  -5.513  11.665  -6.656
  367   1HB   LYS  52          1HB       LYS  52  -3.687   9.483  -7.600
  368   2HB   LYS  52          2HB       LYS  52  -4.464  10.328  -8.902
  369   1HG   LYS  52          1HG       LYS  52  -2.240  11.365  -8.434
  370   2HG   LYS  52          2HG       LYS  52  -3.487  12.518  -8.080
  371   1HD   LYS  52          1HD       LYS  52  -2.936  10.991  -5.631
  372   2HD   LYS  52          2HD       LYS  52  -1.428  11.605  -6.222
  373   1HE   LYS  52          1HE       LYS  52  -3.793  13.587  -6.101
  374   2HE   LYS  52          2HE       LYS  52  -3.158  13.004  -4.563
  375   1HZ   LYS  52          1HZ       LYS  52  -0.773  13.649  -5.658
  376   2HZ   LYS  52          2HZ       LYS  52  -1.683  14.693  -6.566
  377   3HZ   LYS  52          3HZ       LYS  52  -1.657  14.748  -4.935
  378    H    ASN  53           H        ASN  53  -6.511  11.446  -9.096
  379    HA   ASN  53           HA       ASN  53  -9.084  10.111  -9.046
  380   1HB   ASN  53          1HB       ASN  53  -9.109  10.717 -11.576
  381   2HB   ASN  53          2HB       ASN  53  -8.871  12.034 -10.461
  382   1HD2  ASN  53          1HD2      ASN  53  -5.595  12.744 -11.726
  383   2HD2  ASN  53          2HD2      ASN  53  -6.686  12.931 -10.280
  384    H    ASN  54           H        ASN  54  -6.275   9.181 -11.057
  385    HA   ASN  54           HA       ASN  54  -5.289   7.038 -11.469
  386   1HB   ASN  54          1HB       ASN  54  -7.067   6.568  -8.995
  387   2HB   ASN  54          2HB       ASN  54  -6.175   5.239  -9.682
  388   1HD2  ASN  54          1HD2      ASN  54  -3.380   7.930  -8.665
  389   2HD2  ASN  54          2HD2      ASN  54  -4.520   8.236 -10.054
  390    H    ASP  55           H        ASP  55  -5.610   5.903 -13.248
  391    HA   ASP  55           HA       ASP  55  -8.079   4.884 -14.310
  392   1HB   ASP  55          1HB       ASP  55  -5.138   4.154 -14.762
  393   2HB   ASP  55          2HB       ASP  55  -6.395   3.254 -15.598
  394    H    GLY  56           H        GLY  56  -6.138   3.486 -11.787
  395   1HA   GLY  56          1HA       GLY  56  -8.343   2.485 -10.413
  396   2HA   GLY  56          2HA       GLY  56  -7.921   1.069 -11.388
  397    H    ARG  57           H        ARG  57  -4.989   2.268 -10.891
  398    HA   ARG  57           HA       ARG  57  -4.502   0.495  -8.432
  399   1HB   ARG  57          1HB       ARG  57  -2.685  -0.614  -9.834
  400   2HB   ARG  57          2HB       ARG  57  -4.345  -0.938 -10.330
  401   1HG   ARG  57          1HG       ARG  57  -4.039   1.017 -12.079
  402   2HG   ARG  57          2HG       ARG  57  -2.324   0.988 -11.672
  403   1HD   ARG  57          1HD       ARG  57  -3.967  -1.032 -13.238
  404   2HD   ARG  57          2HD       ARG  57  -2.310  -0.485 -13.489
  405    HE   ARG  57           HE       ARG  57  -1.574  -1.789 -11.366
  406   1HH1  ARG  57          2HH1      ARG  57  -4.337  -2.901 -13.138
  407   2HH1  ARG  57          1HH1      ARG  57  -4.116  -4.614 -12.501
  408   1HH2  ARG  57          1HH2      ARG  57  -1.362  -3.654 -10.708
  409   2HH2  ARG  57          2HH2      ARG  57  -2.487  -5.017 -11.188
  410    H    ILE  58           H        ILE  58  -2.328   0.488  -7.567
  411    HA   ILE  58           HA       ILE  58  -1.170   3.293  -7.434
  412    HB   ILE  58           HB       ILE  58  -1.086   0.948  -5.476
  413   1HG1  ILE  58          1HG1      ILE  58  -2.292   3.788  -5.250
  414   2HG1  ILE  58          2HG1      ILE  58  -3.186   2.302  -5.410
  415   1HG2  ILE  58          1HG2      ILE  58   1.182   2.072  -5.379
  416   2HG2  ILE  58          2HG2      ILE  58   0.409   3.650  -5.129
  417   3HG2  ILE  58          3HG2      ILE  58   0.280   2.372  -3.897
  418   1HD1  ILE  58          1HD1      ILE  58  -2.343   1.462  -3.170
  419   2HD1  ILE  58          2HD1      ILE  58  -1.529   3.028  -2.919
  420   3HD1  ILE  58          3HD1      ILE  58  -3.299   2.962  -3.070
  421    H    ASP  59           H        ASP  59   1.033   3.748  -7.736
  422    HA   ASP  59           HA       ASP  59   2.965   1.391  -8.065
  423   1HB   ASP  59          1HB       ASP  59   4.134   2.679  -9.816
  424   2HB   ASP  59          2HB       ASP  59   2.430   2.526 -10.221
  425    H    PHE  60           H        PHE  60   5.408   2.676  -8.056
  426    HA   PHE  60           HA       PHE  60   5.843   2.230  -5.156
  427   1HB   PHE  60          1HB       PHE  60   7.447   1.738  -7.160
  428   2HB   PHE  60          2HB       PHE  60   7.865   3.420  -7.144
  429    HD1  PHE  60           HD1      PHE  60   7.870   3.861  -4.071
  430    HD2  PHE  60           HD2      PHE  60   9.643   0.830  -6.545
  431    HE1  PHE  60           HE1      PHE  60   9.689   3.603  -2.448
  432    HE2  PHE  60           HE2      PHE  60  11.463   0.565  -4.899
  433    HZ   PHE  60           HZ       PHE  60  11.520   1.996  -2.877
  434    H    ASP  61           H        ASP  61   5.345   5.132  -7.030
  435    HA   ASP  61           HA       ASP  61   6.279   7.259  -5.189
  436   1HB   ASP  61          1HB       ASP  61   5.602   8.118  -7.298
  437   2HB   ASP  61          2HB       ASP  61   4.303   6.958  -7.499
  438    H    GLU  62           H        GLU  62   2.940   6.650  -5.856
  439    HA   GLU  62           HA       GLU  62   1.470   7.220  -3.469
  440   1HB   GLU  62          1HB       GLU  62   0.955   4.838  -5.306
  441   2HB   GLU  62          2HB       GLU  62  -0.183   5.490  -4.168
  442   1HG   GLU  62          1HG       GLU  62  -0.155   7.722  -5.508
  443   2HG   GLU  62          2HG       GLU  62   0.880   6.949  -6.693
  444    H    PHE  63           H        PHE  63   3.713   4.503  -3.793
  445    HA   PHE  63           HA       PHE  63   2.826   3.012  -1.327
  446   1HB   PHE  63          1HB       PHE  63   4.225   2.076  -3.304
  447   2HB   PHE  63          2HB       PHE  63   5.583   2.957  -2.692
  448    HD1  PHE  63           HD1      PHE  63   3.284   1.334  -0.198
  449    HD2  PHE  63           HD2      PHE  63   6.852   0.809  -2.546
  450    HE1  PHE  63           HE1      PHE  63   4.123  -0.330   1.416
  451    HE2  PHE  63           HE2      PHE  63   7.672  -0.827  -0.926
  452    HZ   PHE  63           HZ       PHE  63   6.369  -1.320   1.119
  453    H    LEU  64           H        LEU  64   5.647   5.100  -2.005
  454    HA   LEU  64           HA       LEU  64   6.620   5.540   0.642
  455   1HB   LEU  64          1HB       LEU  64   6.674   7.380  -1.800
  456   2HB   LEU  64          2HB       LEU  64   7.493   7.821  -0.323
  457    HG   LEU  64           HG       LEU  64   8.121   5.121  -1.622
  458   1HD1  LEU  64          1HD1      LEU  64   9.235   7.867  -2.525
  459   2HD1  LEU  64          2HD1      LEU  64   9.941   6.287  -2.960
  460   3HD1  LEU  64          3HD1      LEU  64   8.303   6.685  -3.485
  461   1HD2  LEU  64          1HD2      LEU  64   9.811   7.105   0.072
  462   2HD2  LEU  64          2HD2      LEU  64   9.197   5.508   0.587
  463   3HD2  LEU  64          3HD2      LEU  64  10.437   5.611  -0.670
  464    H    LYS  65           H        LYS  65   3.902   7.224  -0.862
  465    HA   LYS  65           HA       LYS  65   3.436   8.984   1.549
  466   1HB   LYS  65          1HB       LYS  65   1.903  10.084   0.069
  467   2HB   LYS  65          2HB       LYS  65   3.342   9.719  -0.863
  468   1HG   LYS  65          1HG       LYS  65   2.135   8.260  -2.312
  469   2HG   LYS  65          2HG       LYS  65   1.015   7.750  -1.035
  470   1HD   LYS  65          1HD       LYS  65   0.010   9.296  -2.822
  471   2HD   LYS  65          2HD       LYS  65  -0.316   9.756  -1.148
  472   1HE   LYS  65          1HE       LYS  65   0.192  11.809  -2.391
  473   2HE   LYS  65          2HE       LYS  65   1.621  11.479  -1.394
  474   1HZ   LYS  65          1HZ       LYS  65   1.537  10.257  -4.145
  475   2HZ   LYS  65          2HZ       LYS  65   1.903  11.820  -4.071
  476   3HZ   LYS  65          3HZ       LYS  65   2.866  10.712  -3.320
  477    H    MET  66           H        MET  66   2.065   5.984   0.214
  478    HA   MET  66           HA       MET  66  -0.087   5.705   2.172
  479   1HB   MET  66          1HB       MET  66   0.015   4.459   0.016
  480   2HB   MET  66          2HB       MET  66   1.441   3.591   0.543
  481   1HG   MET  66          1HG       MET  66   0.263   2.231   2.133
  482   2HG   MET  66          2HG       MET  66  -1.152   3.301   2.170
  483   1HE   MET  66          1HE       MET  66   1.121   1.145  -0.266
  484   2HE   MET  66          2HE       MET  66   0.093   1.104  -1.729
  485   3HE   MET  66          3HE       MET  66   0.769   2.659  -1.156
  486    H    MET  67           H        MET  67   3.003   3.770   2.235
  487    HA   MET  67           HA       MET  67   3.174   3.202   5.029
  488   1HB   MET  67          1HB       MET  67   4.904   2.715   3.066
  489   2HB   MET  67          2HB       MET  67   5.614   4.257   3.499
  490   1HG   MET  67          1HG       MET  67   6.943   2.927   4.853
  491   2HG   MET  67          2HG       MET  67   5.633   3.208   6.016
  492   1HE   MET  67          1HE       MET  67   7.944   1.173   4.946
  493   2HE   MET  67          2HE       MET  67   7.426  -0.459   5.474
  494   3HE   MET  67          3HE       MET  67   7.309  -0.001   3.748
  495    H    GLU  68           H        GLU  68   4.584   6.142   3.542
  496    HA   GLU  68           HA       GLU  68   4.947   7.303   6.325
  497   1HB   GLU  68          1HB       GLU  68   6.745   6.868   4.021
  498   2HB   GLU  68          2HB       GLU  68   6.923   8.457   4.700
  499   1HG   GLU  68          1HG       GLU  68   7.383   5.761   6.143
  500   2HG   GLU  68          2HG       GLU  68   8.584   6.985   5.770
  501    H    GLY  69           H        GLY  69   2.878   7.959   3.985
  502   1HA   GLY  69          1HA       GLY  69   2.791  10.978   4.583
  503   2HA   GLY  69          2HA       GLY  69   1.789  10.199   3.353
  504    H    VAL  70           H        VAL  70   0.460  11.745   4.911
  505    HA   VAL  70           HA       VAL  70  -0.565  10.245   7.389
  506    HB   VAL  70           HB       VAL  70   0.864  12.392   7.644
  507   1HG1  VAL  70          1HG1      VAL  70  -1.812  13.754   6.858
  508   2HG1  VAL  70          2HG1      VAL  70  -0.433  14.579   7.630
  509   3HG1  VAL  70          3HG1      VAL  70  -0.258  13.915   6.004
  510   1HG2  VAL  70          1HG2      VAL  70  -0.450  11.403   9.563
  511   2HG2  VAL  70          2HG2      VAL  70  -0.422  13.157   9.656
  512   3HG2  VAL  70          3HG2      VAL  70  -1.894  12.319   9.082
  513    H    GLN  71           H        GLN  71  -2.697  10.053   7.743
  514    HA   GLN  71           HA       GLN  71  -4.368   9.497   5.598
  515   1HB   GLN  71          1HB       GLN  71  -6.318   9.496   7.267
  516   2HB   GLN  71          2HB       GLN  71  -4.909   8.513   7.658
  517   1HG   GLN  71          1HG       GLN  71  -4.190  10.027   9.404
  518   2HG   GLN  71          2HG       GLN  71  -5.112  11.387   8.790
  519   1HE2  GLN  71          1HE2      GLN  71  -6.788   8.912  11.499
  520   2HE2  GLN  71          2HE2      GLN  71  -5.118   8.595  10.772
  521   1HN   NH2  72          1HN       NH2  72  -5.394  10.629   3.973
  522   2HN   NH2  72          2HN       NH2  72  -5.970  12.314   4.092
   
  No H/Q in entry =         522
  Start of MODEL    5
    1   1H    ACE   1          1HH3      ACE   1  20.913  11.143   0.569
    2   2H    ACE   1          2HH3      ACE   1  20.683  11.248  -1.213
    3   3H    ACE   1          3HH3      ACE   1  20.108  12.559  -0.145
    4    H    LYS   2           H        LYS   2  19.685   8.972  -0.180
    5    HA   LYS   2           HA       LYS   2  16.697   9.193  -0.009
    6   1HB   LYS   2          1HB       LYS   2  18.098   8.727  -2.678
    7   2HB   LYS   2          2HB       LYS   2  16.503   8.053  -2.425
    8   1HG   LYS   2          1HG       LYS   2  15.936  10.684  -1.745
    9   2HG   LYS   2          2HG       LYS   2  17.407  10.999  -2.630
   10   1HD   LYS   2          1HD       LYS   2  16.458  10.439  -4.720
   11   2HD   LYS   2          2HD       LYS   2  15.378   9.214  -4.051
   12   1HE   LYS   2          1HE       LYS   2  13.934  11.027  -4.694
   13   2HE   LYS   2          2HE       LYS   2  13.994  11.122  -2.924
   14   1HZ   LYS   2          1HZ       LYS   2  15.872  12.815  -4.658
   15   2HZ   LYS   2          2HZ       LYS   2  14.406  13.315  -4.193
   16   3HZ   LYS   2          3HZ       LYS   2  15.465  13.074  -3.067
   17    H    SER   3           H        SER   3  17.254   7.777   1.730
   18    HA   SER   3           HA       SER   3  18.297   5.015   1.116
   19   1HB   SER   3          1HB       SER   3  18.164   6.879   3.411
   20   2HB   SER   3          2HB       SER   3  17.825   5.240   3.911
   21    HG   SER   3           HG       SER   3  19.938   5.504   2.096
   22    H    GLU   4           H        GLU   4  16.147   4.763  -0.159
   23    HA   GLU   4           HA       GLU   4  13.937   3.586   1.593
   24   1HB   GLU   4          1HB       GLU   4  13.330   3.733  -1.301
   25   2HB   GLU   4          2HB       GLU   4  12.342   3.880   0.132
   26   1HG   GLU   4          1HG       GLU   4  12.566   6.245   0.216
   27   2HG   GLU   4          2HG       GLU   4  14.188   6.243  -0.466
   28    H    GLU   5           H        GLU   5  16.541   2.420   1.211
   29    HA   GLU   5           HA       GLU   5  16.533   0.367  -0.816
   30   1HB   GLU   5          1HB       GLU   5  18.602   1.202  -0.109
   31   2HB   GLU   5          2HB       GLU   5  18.308   0.897   1.576
   32   1HG   GLU   5          1HG       GLU   5  18.720  -1.403  -0.462
   33   2HG   GLU   5          2HG       GLU   5  20.055  -0.646   0.388
   34    H    GLU   6           H        GLU   6  15.801  -0.063   2.648
   35    HA   GLU   6           HA       GLU   6  14.929  -2.896   2.129
   36   1HB   GLU   6          1HB       GLU   6  15.672  -3.374   4.148
   37   2HB   GLU   6          2HB       GLU   6  16.413  -1.803   4.134
   38   1HG   GLU   6          1HG       GLU   6  13.580  -1.873   5.252
   39   2HG   GLU   6          2HG       GLU   6  14.787  -2.735   6.188
   40    H    LEU   7           H        LEU   7  13.362   0.131   2.653
   41    HA   LEU   7           HA       LEU   7  10.544  -0.955   2.821
   42   1HB   LEU   7          1HB       LEU   7  11.618   1.770   1.909
   43   2HB   LEU   7          2HB       LEU   7   9.919   1.378   2.038
   44    HG   LEU   7           HG       LEU   7  11.913   1.980   4.227
   45   1HD1  LEU   7          1HD1      LEU   7  10.278   3.691   3.460
   46   2HD1  LEU   7          2HD1      LEU   7   8.909   2.616   3.840
   47   3HD1  LEU   7          3HD1      LEU   7   9.954   3.243   5.141
   48   1HD2  LEU   7          1HD2      LEU   7   9.465   0.122   4.706
   49   2HD2  LEU   7          2HD2      LEU   7  11.183  -0.282   4.978
   50   3HD2  LEU   7          3HD2      LEU   7  10.401   0.938   5.986
   51    H    ALA   8           H        ALA   8  12.837  -0.149   0.187
   52    HA   ALA   8           HA       ALA   8  11.190  -1.138  -1.990
   53   1HB   ALA   8          1HB       ALA   8  14.265  -1.063  -1.646
   54   2HB   ALA   8          2HB       ALA   8  13.414  -1.304  -3.185
   55   3HB   ALA   8          3HB       ALA   8  13.230   0.222  -2.312
   56    H    ASN   9           H        ASN   9  13.944  -3.107  -0.640
   57    HA   ASN   9           HA       ASN   9  13.087  -5.712  -1.131
   58   1HB   ASN   9          1HB       ASN   9  14.272  -4.602   1.505
   59   2HB   ASN   9          2HB       ASN   9  14.087  -6.309   1.209
   60   1HD2  ASN   9          1HD2      ASN   9  17.534  -5.395   0.209
   61   2HD2  ASN   9          2HD2      ASN   9  16.540  -5.369   1.734
   62    H    ALA  10           H        ALA  10  11.787  -3.835   1.632
   63    HA   ALA  10           HA       ALA  10   9.768  -5.750   2.494
   64   1HB   ALA  10          1HB       ALA  10  10.669  -3.847   3.846
   65   2HB   ALA  10          2HB       ALA  10   9.818  -2.669   2.813
   66   3HB   ALA  10          3HB       ALA  10   8.895  -3.814   3.811
   67    H    PHE  11           H        PHE  11   9.444  -3.112   0.111
   68    HA   PHE  11           HA       PHE  11   6.596  -3.490  -0.475
   69   1HB   PHE  11          1HB       PHE  11   7.919  -1.418  -0.944
   70   2HB   PHE  11          2HB       PHE  11   8.828  -2.243  -2.165
   71    HD1  PHE  11           HD1      PHE  11   5.767  -3.652  -2.841
   72    HD2  PHE  11           HD2      PHE  11   7.647   0.213  -3.050
   73    HE1  PHE  11           HE1      PHE  11   4.087  -2.912  -4.480
   74    HE2  PHE  11           HE2      PHE  11   5.966   0.927  -4.703
   75    HZ   PHE  11           HZ       PHE  11   4.200  -0.645  -5.437
   76    H    ARG  12           H        ARG  12   9.396  -4.644  -2.487
   77    HA   ARG  12           HA       ARG  12   8.158  -6.626  -4.030
   78   1HB   ARG  12          1HB       ARG  12  10.676  -6.051  -3.783
   79   2HB   ARG  12          2HB       ARG  12  10.740  -7.224  -2.473
   80   1HG   ARG  12          1HG       ARG  12  10.437  -9.084  -3.915
   81   2HG   ARG  12          2HG       ARG  12   9.507  -8.170  -5.110
   82   1HD   ARG  12          1HD       ARG  12  11.423  -8.093  -6.373
   83   2HD   ARG  12          2HD       ARG  12  12.025  -6.878  -5.212
   84    HE   ARG  12           HE       ARG  12  12.436  -9.870  -4.642
   85   1HH1  ARG  12          2HH1      ARG  12  13.832  -6.736  -5.127
   86   2HH1  ARG  12          1HH1      ARG  12  15.476  -7.288  -4.546
   87   1HH2  ARG  12          1HH2      ARG  12  14.276 -10.466  -3.988
   88   2HH2  ARG  12          2HH2      ARG  12  15.698  -9.325  -3.933
   89    H    ILE  13           H        ILE  13   8.744  -6.932  -0.531
   90    HA   ILE  13           HA       ILE  13   8.138  -9.852  -0.377
   91    HB   ILE  13           HB       ILE  13   8.686  -7.699   1.708
   92   1HG1  ILE  13          1HG1      ILE  13  10.607  -8.977   0.426
   93   2HG1  ILE  13          2HG1      ILE  13  10.736  -8.764   2.151
   94   1HG2  ILE  13          1HG2      ILE  13   6.915  -9.152   2.772
   95   2HG2  ILE  13          2HG2      ILE  13   7.850 -10.616   2.387
   96   3HG2  ILE  13          3HG2      ILE  13   8.459  -9.430   3.558
   97   1HD1  ILE  13          1HD1      ILE  13   9.930 -11.105   2.602
   98   2HD1  ILE  13          2HD1      ILE  13   9.844 -11.407   0.849
   99   3HD1  ILE  13          3HD1      ILE  13  11.407 -11.058   1.612
  100    H    PHE  14           H        PHE  14   6.319  -6.882   0.088
  101    HA   PHE  14           HA       PHE  14   3.656  -8.001   0.864
  102   1HB   PHE  14          1HB       PHE  14   4.574  -5.473  -0.637
  103   2HB   PHE  14          2HB       PHE  14   2.893  -5.888  -0.561
  104    HD1  PHE  14           HD1      PHE  14   5.425  -6.234   2.244
  105    HD2  PHE  14           HD2      PHE  14   1.957  -4.178   0.762
  106    HE1  PHE  14           HE1      PHE  14   5.224  -5.028   4.382
  107    HE2  PHE  14           HE2      PHE  14   1.774  -2.959   2.895
  108    HZ   PHE  14           HZ       PHE  14   3.401  -3.395   4.717
  109    H    ASP  15           H        ASP  15   5.278  -7.373  -2.257
  110    HA   ASP  15           HA       ASP  15   3.074  -8.168  -3.950
  111   1HB   ASP  15          1HB       ASP  15   4.903  -6.639  -4.634
  112   2HB   ASP  15          2HB       ASP  15   6.087  -7.935  -4.573
  113    H    LYS  16           H        LYS  16   3.236  -9.864  -5.702
  114    HA   LYS  16           HA       LYS  16   4.505 -12.452  -4.859
  115   1HB   LYS  16          1HB       LYS  16   1.510 -12.399  -5.577
  116   2HB   LYS  16          2HB       LYS  16   2.454 -13.850  -5.385
  117   1HG   LYS  16          1HG       LYS  16   2.445 -11.965  -2.993
  118   2HG   LYS  16          2HG       LYS  16   0.867 -12.597  -3.446
  119   1HD   LYS  16          1HD       LYS  16   3.353 -14.307  -2.774
  120   2HD   LYS  16          2HD       LYS  16   1.996 -13.972  -1.701
  121   1HE   LYS  16          1HE       LYS  16   0.647 -15.059  -3.908
  122   2HE   LYS  16          2HE       LYS  16   2.127 -16.039  -3.859
  123   1HZ   LYS  16          1HZ       LYS  16   0.688 -15.363  -1.293
  124   2HZ   LYS  16          2HZ       LYS  16   0.150 -16.658  -2.150
  125   3HZ   LYS  16          3HZ       LYS  16   1.683 -16.628  -1.534
  126    H    ASN  17           H        ASN  17   2.362 -11.004  -7.335
  127    HA   ASN  17           HA       ASN  17   3.545 -12.715  -9.464
  128   1HB   ASN  17          1HB       ASN  17   1.048 -11.161  -9.056
  129   2HB   ASN  17          2HB       ASN  17   1.612 -11.053 -10.702
  130   1HD2  ASN  17          1HD2      ASN  17   0.537 -14.815  -9.604
  131   2HD2  ASN  17          2HD2      ASN  17   1.857 -14.006  -8.697
  132    H    ALA  18           H        ALA  18   3.682  -9.227  -8.772
  133    HA   ALA  18           HA       ALA  18   5.682  -7.874  -9.173
  134   1HB   ALA  18          1HB       ALA  18   6.940 -10.056  -9.326
  135   2HB   ALA  18          2HB       ALA  18   6.474 -10.199 -11.035
  136   3HB   ALA  18          3HB       ALA  18   7.533  -8.874 -10.524
  137    H    ASP  19           H        ASP  19   3.257  -7.298 -10.482
  138    HA   ASP  19           HA       ASP  19   3.953  -6.109 -13.132
  139   1HB   ASP  19          1HB       ASP  19   1.584  -6.606 -12.033
  140   2HB   ASP  19          2HB       ASP  19   1.771  -5.040 -11.256
  141    H    GLY  20           H        GLY  20   5.197  -5.401 -10.066
  142   1HA   GLY  20          1HA       GLY  20   6.475  -3.402  -9.380
  143   2HA   GLY  20          2HA       GLY  20   5.670  -2.476 -10.654
  144    H    TYR  21           H        TYR  21   3.071  -3.797  -9.265
  145    HA   TYR  21           HA       TYR  21   2.586  -1.192  -7.689
  146   1HB   TYR  21          1HB       TYR  21   0.575  -2.735  -9.453
  147   2HB   TYR  21          2HB       TYR  21   0.207  -1.321  -8.503
  148    HD1  TYR  21           HD1      TYR  21   1.632   0.871  -9.030
  149    HD2  TYR  21           HD2      TYR  21   1.170  -2.417 -11.764
  150    HE1  TYR  21           HE1      TYR  21   2.005   2.388 -10.934
  151    HE2  TYR  21           HE2      TYR  21   1.582  -0.877 -13.654
  152    HH   TYR  21           HH       TYR  21   2.301   1.157 -14.235
  153    H    ILE  22           H        ILE  22   1.147  -1.233  -5.927
  154    HA   ILE  22           HA       ILE  22   0.118  -3.950  -4.932
  155    HB   ILE  22           HB       ILE  22   0.293  -1.372  -3.286
  156   1HG1  ILE  22          1HG1      ILE  22   2.394  -3.540  -3.687
  157   2HG1  ILE  22          2HG1      ILE  22   2.598  -1.823  -3.462
  158   1HG2  ILE  22          1HG2      ILE  22  -1.422  -3.028  -2.421
  159   2HG2  ILE  22          2HG2      ILE  22  -0.190  -4.303  -2.366
  160   3HG2  ILE  22          3HG2      ILE  22  -0.088  -2.887  -1.289
  161   1HD1  ILE  22          1HD1      ILE  22   1.989  -2.018  -0.996
  162   2HD1  ILE  22          2HD1      ILE  22   1.981  -3.790  -1.184
  163   3HD1  ILE  22          3HD1      ILE  22   3.477  -2.877  -1.469
  164    H    ASP  23           H        ASP  23  -1.926  -4.407  -5.197
  165    HA   ASP  23           HA       ASP  23  -3.869  -2.226  -6.092
  166   1HB   ASP  23          1HB       ASP  23  -4.973  -3.942  -7.436
  167   2HB   ASP  23          2HB       ASP  23  -3.243  -4.041  -7.730
  168    H    ILE  24           H        ILE  24  -6.280  -3.131  -5.804
  169    HA   ILE  24           HA       ILE  24  -6.867  -2.751  -2.876
  170    HB   ILE  24           HB       ILE  24  -8.284  -1.908  -4.943
  171   1HG1  ILE  24          1HG1      ILE  24  -9.012  -1.286  -2.698
  172   2HG1  ILE  24          2HG1      ILE  24 -10.409  -1.849  -3.577
  173   1HG2  ILE  24          1HG2      ILE  24  -8.792  -4.172  -5.970
  174   2HG2  ILE  24          2HG2      ILE  24  -9.636  -4.668  -4.489
  175   3HG2  ILE  24          3HG2      ILE  24 -10.280  -3.360  -5.514
  176   1HD1  ILE  24          1HD1      ILE  24 -10.256  -4.132  -2.460
  177   2HD1  ILE  24          2HD1      ILE  24  -8.968  -3.486  -1.413
  178   3HD1  ILE  24          3HD1      ILE  24 -10.596  -2.780  -1.347
  179    H    GLU  25           H        GLU  25  -6.551  -5.435  -5.076
  180    HA   GLU  25           HA       GLU  25  -7.944  -7.443  -3.334
  181   1HB   GLU  25          1HB       GLU  25  -6.254  -8.042  -5.798
  182   2HB   GLU  25          2HB       GLU  25  -7.384  -9.109  -5.023
  183   1HG   GLU  25          1HG       GLU  25  -9.217  -7.214  -5.676
  184   2HG   GLU  25          2HG       GLU  25  -7.993  -6.683  -6.814
  185    H    GLU  26           H        GLU  26  -4.617  -6.480  -3.877
  186    HA   GLU  26           HA       GLU  26  -3.392  -8.663  -2.223
  187   1HB   GLU  26          1HB       GLU  26  -2.242  -6.164  -3.515
  188   2HB   GLU  26          2HB       GLU  26  -1.295  -7.110  -2.409
  189   1HG   GLU  26          1HG       GLU  26  -1.488  -9.136  -3.949
  190   2HG   GLU  26          2HG       GLU  26  -2.492  -8.215  -5.054
  191    H    LEU  27           H        LEU  27  -4.526  -5.407  -1.603
  192    HA   LEU  27           HA       LEU  27  -2.695  -4.876   0.647
  193   1HB   LEU  27          1HB       LEU  27  -3.521  -3.174  -0.982
  194   2HB   LEU  27          2HB       LEU  27  -5.140  -3.302  -0.346
  195    HG   LEU  27           HG       LEU  27  -2.756  -2.344   1.361
  196   1HD1  LEU  27          1HD1      LEU  27  -3.105  -0.813  -0.580
  197   2HD1  LEU  27          2HD1      LEU  27  -4.831  -0.617  -0.161
  198   3HD1  LEU  27          3HD1      LEU  27  -3.547  -0.035   0.939
  199   1HD2  LEU  27          1HD2      LEU  27  -5.817  -2.057   1.837
  200   2HD2  LEU  27          2HD2      LEU  27  -4.709  -3.137   2.735
  201   3HD2  LEU  27          3HD2      LEU  27  -4.517  -1.385   2.861
  202    H    GLY  28           H        GLY  28  -6.295  -5.152   0.746
  203   1HA   GLY  28          1HA       GLY  28  -6.732  -5.409   3.531
  204   2HA   GLY  28          2HA       GLY  28  -7.702  -6.302   2.353
  205    H    GLU  29           H        GLU  29  -5.797  -8.140   1.412
  206    HA   GLU  29           HA       GLU  29  -5.705 -10.127   3.590
  207   1HB   GLU  29          1HB       GLU  29  -5.683 -11.622   1.975
  208   2HB   GLU  29          2HB       GLU  29  -5.912 -10.299   0.873
  209   1HG   GLU  29          1HG       GLU  29  -3.432 -10.260   0.344
  210   2HG   GLU  29          2HG       GLU  29  -3.130 -11.512   1.534
  211    H    ILE  30           H        ILE  30  -3.162  -8.192   2.094
  212    HA   ILE  30           HA       ILE  30  -0.870  -8.894   3.833
  213    HB   ILE  30           HB       ILE  30  -1.729  -6.245   2.577
  214   1HG1  ILE  30          1HG1      ILE  30  -0.635  -8.129   1.116
  215   2HG1  ILE  30          2HG1      ILE  30  -0.010  -6.508   0.979
  216   1HG2  ILE  30          1HG2      ILE  30  -0.541  -5.667   4.724
  217   2HG2  ILE  30          2HG2      ILE  30   0.836  -6.700   4.262
  218   3HG2  ILE  30          3HG2      ILE  30   0.447  -5.224   3.336
  219   1HD1  ILE  30          1HD1      ILE  30   1.430  -8.686   2.636
  220   2HD1  ILE  30          2HD1      ILE  30   1.865  -8.093   1.019
  221   3HD1  ILE  30          3HD1      ILE  30   1.959  -6.998   2.413
  222    H    LEU  31           H        LEU  31  -3.435  -6.403   4.398
  223    HA   LEU  31           HA       LEU  31  -2.209  -5.665   7.040
  224   1HB   LEU  31          1HB       LEU  31  -3.785  -3.903   7.154
  225   2HB   LEU  31          2HB       LEU  31  -3.280  -3.986   5.484
  226    HG   LEU  31           HG       LEU  31  -5.513  -5.468   5.169
  227   1HD1  LEU  31          1HD1      LEU  31  -6.134  -3.832   7.720
  228   2HD1  LEU  31          2HD1      LEU  31  -7.346  -4.646   6.695
  229   3HD1  LEU  31          3HD1      LEU  31  -6.129  -5.608   7.538
  230   1HD2  LEU  31          1HD2      LEU  31  -5.525  -2.381   5.489
  231   2HD2  LEU  31          2HD2      LEU  31  -5.208  -3.299   3.991
  232   3HD2  LEU  31          3HD2      LEU  31  -6.820  -3.330   4.712
  233    H    ARG  32           H        ARG  32  -4.762  -7.906   6.102
  234    HA   ARG  32           HA       ARG  32  -5.448  -8.572   8.915
  235   1HB   ARG  32          1HB       ARG  32  -5.825  -9.838   6.149
  236   2HB   ARG  32          2HB       ARG  32  -6.369 -10.689   7.592
  237   1HG   ARG  32          1HG       ARG  32  -7.224  -7.785   6.913
  238   2HG   ARG  32          2HG       ARG  32  -8.064  -9.200   6.253
  239   1HD   ARG  32          1HD       ARG  32  -7.937  -8.234   9.169
  240   2HD   ARG  32          2HD       ARG  32  -9.363  -8.687   8.208
  241    HE   ARG  32           HE       ARG  32  -8.789 -11.100   8.489
  242   1HH1  ARG  32          2HH1      ARG  32  -6.659  -9.036  10.300
  243   2HH1  ARG  32          1HH1      ARG  32  -6.109 -10.415  11.365
  244   1HH2  ARG  32          1HH2      ARG  32  -8.112 -12.634   9.679
  245   2HH2  ARG  32          2HH2      ARG  32  -6.900 -12.345  11.010
  246    H    ALA  33           H        ALA  33  -3.262 -10.097   6.531
  247    HA   ALA  33           HA       ALA  33  -2.769 -12.496   8.037
  248   1HB   ALA  33          1HB       ALA  33  -2.554 -12.274   5.566
  249   2HB   ALA  33          2HB       ALA  33  -1.105 -11.249   5.749
  250   3HB   ALA  33          3HB       ALA  33  -1.069 -12.952   6.255
  251    H    THR  34           H        THR  34  -0.476 -13.376   8.552
  252    HA   THR  34           HA       THR  34   1.048 -12.341  10.580
  253    HB   THR  34           HB       THR  34   3.205 -13.261   9.380
  254    HG1  THR  34           HG1      THR  34   1.171 -13.777   7.528
  255   1HG2  THR  34          2HG2      THR  34   1.738 -14.512  11.095
  256   2HG2  THR  34          3HG2      THR  34   0.781 -15.163   9.739
  257   3HG2  THR  34          1HG2      THR  34   2.493 -15.594   9.898
  258    H    GLY  35           H        GLY  35   2.301 -11.542   7.275
  259   1HA   GLY  35          1HA       GLY  35   3.608  -9.636   6.540
  260   2HA   GLY  35          2HA       GLY  35   2.977  -8.758   7.939
  261   1HN   NH2  36          1HN       NH2  36   4.730 -11.698   8.801
  262   2HN   NH2  36          2HN       NH2  36   6.252 -10.904   9.288
  263   1H    ACE  37          1HH3      ACE  37  -8.083  -6.351  14.349
  264   2H    ACE  37          2HH3      ACE  37  -9.844  -6.648  14.549
  265   3H    ACE  37          3HH3      ACE  37  -8.805  -7.885  13.794
  266    H    VAL  38           H        VAL  38  -9.591  -4.428  13.349
  267    HA   VAL  38           HA       VAL  38  -9.965  -3.076  11.378
  268    HB   VAL  38           HB       VAL  38  -8.072  -5.029   9.983
  269   1HG1  VAL  38          1HG1      VAL  38  -8.477  -1.959   9.733
  270   2HG1  VAL  38          2HG1      VAL  38  -7.187  -2.867   8.911
  271   3HG1  VAL  38          3HG1      VAL  38  -8.879  -3.182   8.514
  272   1HG2  VAL  38          1HG2      VAL  38  -7.031  -4.508  12.234
  273   2HG2  VAL  38          2HG2      VAL  38  -6.131  -3.711  10.925
  274   3HG2  VAL  38          3HG2      VAL  38  -7.252  -2.769  11.939
  275    H    THR  39           H        THR  39 -12.110  -3.463  11.025
  276    HA   THR  39           HA       THR  39 -13.163  -5.735   9.306
  277    HB   THR  39           HB       THR  39 -14.676  -4.975  11.052
  278    HG1  THR  39           HG1      THR  39 -16.346  -4.935   9.840
  279   1HG2  THR  39          2HG2      THR  39 -14.478  -2.153   9.783
  280   2HG2  THR  39          3HG2      THR  39 -15.584  -2.615  11.099
  281   3HG2  THR  39          1HG2      THR  39 -13.830  -2.633  11.369
  282    H    GLU  40           H        GLU  40 -14.444  -5.031   7.307
  283    HA   GLU  40           HA       GLU  40 -12.315  -4.036   5.469
  284   1HB   GLU  40          1HB       GLU  40 -14.043  -6.051   5.233
  285   2HB   GLU  40          2HB       GLU  40 -15.054  -4.861   4.471
  286   1HG   GLU  40          1HG       GLU  40 -12.174  -5.348   3.456
  287   2HG   GLU  40          2HG       GLU  40 -13.500  -6.375   2.943
  288    H    GLU  41           H        GLU  41 -15.389  -2.672   6.571
  289    HA   GLU  41           HA       GLU  41 -15.430  -0.338   4.905
  290   1HB   GLU  41          1HB       GLU  41 -17.072   0.556   6.280
  291   2HB   GLU  41          2HB       GLU  41 -17.276  -1.166   6.391
  292   1HG   GLU  41          1HG       GLU  41 -17.553  -0.648   8.657
  293   2HG   GLU  41          2HG       GLU  41 -15.811  -0.852   8.701
  294    H    ASP  42           H        ASP  42 -13.514  -0.732   7.884
  295    HA   ASP  42           HA       ASP  42 -12.192   1.865   7.764
  296   1HB   ASP  42          1HB       ASP  42 -11.465  -0.841   9.012
  297   2HB   ASP  42          2HB       ASP  42 -10.340   0.506   9.110
  298    H    ILE  43           H        ILE  43 -11.482  -1.106   6.022
  299    HA   ILE  43           HA       ILE  43  -8.894  -0.293   4.760
  300    HB   ILE  43           HB       ILE  43 -10.982  -2.384   3.999
  301   1HG1  ILE  43          1HG1      ILE  43  -8.053  -3.105   4.358
  302   2HG1  ILE  43          2HG1      ILE  43  -8.888  -2.607   5.804
  303   1HG2  ILE  43          1HG2      ILE  43 -10.100  -1.500   1.804
  304   2HG2  ILE  43          2HG2      ILE  43  -8.428  -1.724   2.355
  305   3HG2  ILE  43          3HG2      ILE  43  -9.490  -3.126   2.076
  306   1HD1  ILE  43          1HD1      ILE  43 -10.677  -4.366   5.472
  307   2HD1  ILE  43          2HD1      ILE  43  -9.767  -4.998   4.075
  308   3HD1  ILE  43          3HD1      ILE  43  -9.042  -5.027   5.696
  309    H    GLU  44           H        GLU  44 -12.322  -0.004   3.745
  310    HA   GLU  44           HA       GLU  44 -11.652   1.228   1.095
  311   1HB   GLU  44          1HB       GLU  44 -13.623   0.442   0.540
  312   2HB   GLU  44          2HB       GLU  44 -13.903  -0.108   2.164
  313   1HG   GLU  44          1HG       GLU  44 -15.731   1.287   2.262
  314   2HG   GLU  44          2HG       GLU  44 -14.664   2.680   2.240
  315    H    ASP  45           H        ASP  45 -12.591   2.434   4.255
  316    HA   ASP  45           HA       ASP  45 -12.849   5.326   3.480
  317   1HB   ASP  45          1HB       ASP  45 -12.799   3.768   6.114
  318   2HB   ASP  45          2HB       ASP  45 -12.580   5.512   6.144
  319    H    LEU  46           H        LEU  46 -10.297   3.327   4.950
  320    HA   LEU  46           HA       LEU  46  -8.247   5.469   5.097
  321   1HB   LEU  46          1HB       LEU  46  -8.286   3.406   6.494
  322   2HB   LEU  46          2HB       LEU  46  -7.937   2.407   5.103
  323    HG   LEU  46           HG       LEU  46  -5.684   3.772   4.870
  324   1HD1  LEU  46          1HD1      LEU  46  -6.733   4.750   7.551
  325   2HD1  LEU  46          2HD1      LEU  46  -4.991   4.504   7.357
  326   3HD1  LEU  46          3HD1      LEU  46  -5.848   5.656   6.291
  327   1HD2  LEU  46          1HD2      LEU  46  -6.176   1.872   7.248
  328   2HD2  LEU  46          2HD2      LEU  46  -5.579   1.414   5.627
  329   3HD2  LEU  46          3HD2      LEU  46  -4.570   2.392   6.734
  330    H    MET  47           H        MET  47  -8.459   2.811   2.702
  331    HA   MET  47           HA       MET  47  -6.416   3.862   0.926
  332   1HB   MET  47          1HB       MET  47  -7.079   1.532   0.777
  333   2HB   MET  47          2HB       MET  47  -8.746   1.941   0.413
  334   1HG   MET  47          1HG       MET  47  -8.307   2.528  -1.854
  335   2HG   MET  47          2HG       MET  47  -6.602   2.901  -1.543
  336   1HE   MET  47          1HE       MET  47  -5.318   1.702  -3.110
  337   2HE   MET  47          2HE       MET  47  -4.665   1.259  -1.507
  338   3HE   MET  47          3HE       MET  47  -4.831   0.005  -2.770
  339    H    LYS  48           H        LYS  48  -9.845   4.771   1.131
  340    HA   LYS  48           HA       LYS  48  -9.636   6.774  -1.077
  341   1HB   LYS  48          1HB       LYS  48 -11.593   5.997   1.070
  342   2HB   LYS  48          2HB       LYS  48 -11.752   7.642   0.538
  343   1HG   LYS  48          1HG       LYS  48 -13.138   5.600  -0.625
  344   2HG   LYS  48          2HG       LYS  48 -12.669   7.003  -1.531
  345   1HD   LYS  48          1HD       LYS  48 -10.839   5.965  -2.644
  346   2HD   LYS  48          2HD       LYS  48 -10.702   4.634  -1.544
  347   1HE   LYS  48          1HE       LYS  48 -13.410   4.587  -2.805
  348   2HE   LYS  48          2HE       LYS  48 -12.192   4.804  -4.049
  349   1HZ   LYS  48          1HZ       LYS  48 -10.984   2.794  -2.629
  350   2HZ   LYS  48          2HZ       LYS  48 -12.545   2.450  -2.297
  351   3HZ   LYS  48          3HZ       LYS  48 -12.089   2.449  -3.814
  352    H    ASP  49           H        ASP  49  -8.717   6.719   2.292
  353    HA   ASP  49           HA       ASP  49  -8.722   9.711   2.717
  354   1HB   ASP  49          1HB       ASP  49  -9.198   8.098   4.601
  355   2HB   ASP  49          2HB       ASP  49  -7.556   7.478   4.501
  356    H    SER  50           H        SER  50  -6.260   7.226   2.040
  357    HA   SER  50           HA       SER  50  -4.054   9.191   1.637
  358   1HB   SER  50          1HB       SER  50  -3.835   6.684   2.297
  359   2HB   SER  50          2HB       SER  50  -4.167   6.274   0.616
  360    HG   SER  50           HG       SER  50  -1.962   6.407   0.960
  361    H    ASP  51           H        ASP  51  -6.028   7.247  -0.626
  362    HA   ASP  51           HA       ASP  51  -4.519   8.024  -2.992
  363   1HB   ASP  51          1HB       ASP  51  -5.986   5.882  -2.436
  364   2HB   ASP  51          2HB       ASP  51  -7.327   6.789  -3.122
  365    H    LYS  52           H        LYS  52  -5.166   9.131  -4.908
  366    HA   LYS  52           HA       LYS  52  -6.715  11.703  -4.300
  367   1HB   LYS  52          1HB       LYS  52  -5.434  12.606  -6.313
  368   2HB   LYS  52          2HB       LYS  52  -4.516  12.382  -4.856
  369   1HG   LYS  52          1HG       LYS  52  -4.537  10.316  -7.196
  370   2HG   LYS  52          2HG       LYS  52  -3.460  11.676  -7.165
  371   1HD   LYS  52          1HD       LYS  52  -3.380  10.017  -4.653
  372   2HD   LYS  52          2HD       LYS  52  -2.802   9.174  -6.052
  373   1HE   LYS  52          1HE       LYS  52  -0.845  10.223  -4.977
  374   2HE   LYS  52          2HE       LYS  52  -1.127  11.124  -6.465
  375   1HZ   LYS  52          1HZ       LYS  52  -2.513  12.804  -5.031
  376   2HZ   LYS  52          2HZ       LYS  52  -1.896  12.073  -3.679
  377   3HZ   LYS  52          3HZ       LYS  52  -0.948  12.814  -4.782
  378    H    ASN  53           H        ASN  53  -6.182  11.162  -7.623
  379    HA   ASN  53           HA       ASN  53  -9.008  11.574  -8.089
  380   1HB   ASN  53          1HB       ASN  53  -8.251  11.264 -10.621
  381   2HB   ASN  53          2HB       ASN  53  -7.618  12.594  -9.692
  382   1HD2  ASN  53          1HD2      ASN  53  -4.289  11.529 -10.191
  383   2HD2  ASN  53          2HD2      ASN  53  -5.423  12.781  -9.514
  384    H    ASN  54           H        ASN  54  -7.690   8.606  -7.387
  385    HA   ASN  54           HA       ASN  54  -8.945   6.603  -6.954
  386   1HB   ASN  54          1HB       ASN  54 -11.150   8.526  -7.924
  387   2HB   ASN  54          2HB       ASN  54 -11.538   6.856  -7.618
  388   1HD2  ASN  54          1HD2      ASN  54 -11.897   9.091  -4.527
  389   2HD2  ASN  54          2HD2      ASN  54 -12.274   9.433  -6.275
  390    H    ASP  55           H        ASP  55  -7.459   5.867  -8.767
  391    HA   ASP  55           HA       ASP  55  -9.161   4.393 -10.838
  392   1HB   ASP  55          1HB       ASP  55  -6.912   5.427 -11.509
  393   2HB   ASP  55          2HB       ASP  55  -6.099   4.273 -10.460
  394    H    GLY  56           H        GLY  56  -7.782   3.979  -7.690
  395   1HA   GLY  56          1HA       GLY  56  -8.229   2.136  -6.135
  396   2HA   GLY  56          2HA       GLY  56  -8.767   1.147  -7.497
  397    H    ARG  57           H        ARG  57  -5.590   2.684  -7.357
  398    HA   ARG  57           HA       ARG  57  -4.126   0.088  -6.744
  399   1HB   ARG  57          1HB       ARG  57  -4.715  -0.318  -9.017
  400   2HB   ARG  57          2HB       ARG  57  -4.419   1.347  -9.514
  401   1HG   ARG  57          1HG       ARG  57  -2.032   1.055  -9.557
  402   2HG   ARG  57          2HG       ARG  57  -2.060  -0.284  -8.412
  403   1HD   ARG  57          1HD       ARG  57  -1.765  -1.588 -10.330
  404   2HD   ARG  57          2HD       ARG  57  -3.518  -1.443 -10.451
  405    HE   ARG  57           HE       ARG  57  -2.107   0.931 -11.670
  406   1HH1  ARG  57          2HH1      ARG  57  -3.759  -2.040 -12.325
  407   2HH1  ARG  57          1HH1      ARG  57  -3.891  -1.631 -14.115
  408   1HH2  ARG  57          1HH2      ARG  57  -2.354   1.385 -13.590
  409   2HH2  ARG  57          2HH2      ARG  57  -3.215   0.282 -14.773
  410    H    ILE  58           H        ILE  58  -2.233   0.349  -5.866
  411    HA   ILE  58           HA       ILE  58  -1.150   3.172  -5.507
  412    HB   ILE  58           HB       ILE  58  -1.085   0.724  -3.675
  413   1HG1  ILE  58          1HG1      ILE  58  -2.437   3.489  -3.347
  414   2HG1  ILE  58          2HG1      ILE  58  -3.256   1.990  -3.689
  415   1HG2  ILE  58          1HG2      ILE  58   1.109   1.957  -3.389
  416   2HG2  ILE  58          2HG2      ILE  58   0.237   3.478  -3.107
  417   3HG2  ILE  58          3HG2      ILE  58   0.110   2.132  -1.950
  418   1HD1  ILE  58          1HD1      ILE  58  -2.540   1.000  -1.467
  419   2HD1  ILE  58          2HD1      ILE  58  -1.811   2.568  -1.033
  420   3HD1  ILE  58          3HD1      ILE  58  -3.562   2.452  -1.320
  421    H    ASP  59           H        ASP  59   0.981   3.696  -5.695
  422    HA   ASP  59           HA       ASP  59   2.958   1.578  -6.684
  423   1HB   ASP  59          1HB       ASP  59   4.242   3.491  -7.665
  424   2HB   ASP  59          2HB       ASP  59   2.595   3.414  -8.274
  425    H    PHE  60           H        PHE  60   5.363   2.611  -6.139
  426    HA   PHE  60           HA       PHE  60   5.869   2.102  -3.285
  427   1HB   PHE  60          1HB       PHE  60   7.466   1.847  -5.355
  428   2HB   PHE  60          2HB       PHE  60   7.800   3.539  -5.194
  429    HD1  PHE  60           HD1      PHE  60   7.313   2.495  -1.873
  430    HD2  PHE  60           HD2      PHE  60  10.197   2.200  -5.043
  431    HE1  PHE  60           HE1      PHE  60   9.084   2.096  -0.223
  432    HE2  PHE  60           HE2      PHE  60  11.968   1.769  -3.378
  433    HZ   PHE  60           HZ       PHE  60  11.407   1.678  -0.966
  434    H    ASP  61           H        ASP  61   5.285   5.104  -5.005
  435    HA   ASP  61           HA       ASP  61   6.164   7.127  -3.020
  436   1HB   ASP  61          1HB       ASP  61   5.564   8.099  -5.110
  437   2HB   ASP  61          2HB       ASP  61   4.270   6.956  -5.415
  438    H    GLU  62           H        GLU  62   2.848   6.568  -3.841
  439    HA   GLU  62           HA       GLU  62   1.242   6.959  -1.534
  440   1HB   GLU  62          1HB       GLU  62   1.017   4.642  -3.505
  441   2HB   GLU  62          2HB       GLU  62  -0.207   5.034  -2.335
  442   1HG   GLU  62          1HG       GLU  62   0.695   7.057  -4.504
  443   2HG   GLU  62          2HG       GLU  62  -0.593   5.898  -4.772
  444    H    PHE  63           H        PHE  63   3.538   4.278  -1.894
  445    HA   PHE  63           HA       PHE  63   2.514   2.619   0.407
  446   1HB   PHE  63          1HB       PHE  63   3.870   1.774  -1.603
  447   2HB   PHE  63          2HB       PHE  63   5.264   2.588  -0.981
  448    HD1  PHE  63           HD1      PHE  63   4.331   1.777   2.123
  449    HD2  PHE  63           HD2      PHE  63   5.025  -0.461  -1.487
  450    HE1  PHE  63           HE1      PHE  63   5.285  -0.080   3.436
  451    HE2  PHE  63           HE2      PHE  63   5.953  -2.296  -0.166
  452    HZ   PHE  63           HZ       PHE  63   6.138  -2.098   2.291
  453    H    LEU  64           H        LEU  64   5.320   4.775  -0.034
  454    HA   LEU  64           HA       LEU  64   6.268   4.951   2.697
  455   1HB   LEU  64          1HB       LEU  64   6.409   6.982   0.410
  456   2HB   LEU  64          2HB       LEU  64   7.214   7.257   1.933
  457    HG   LEU  64           HG       LEU  64   7.795   4.720   0.306
  458   1HD1  LEU  64          1HD1      LEU  64   9.080   7.513  -0.061
  459   2HD1  LEU  64          2HD1      LEU  64   9.743   5.991  -0.716
  460   3HD1  LEU  64          3HD1      LEU  64   8.160   6.557  -1.255
  461   1HD2  LEU  64          1HD2      LEU  64   9.459   6.304   2.398
  462   2HD2  LEU  64          2HD2      LEU  64   8.744   4.679   2.605
  463   3HD2  LEU  64          3HD2      LEU  64  10.064   4.921   1.452
  464    H    LYS  65           H        LYS  65   3.895   7.112   1.119
  465    HA   LYS  65           HA       LYS  65   3.269   8.710   3.515
  466   1HB   LYS  65          1HB       LYS  65   2.895   8.691   0.744
  467   2HB   LYS  65          2HB       LYS  65   1.244   8.461   1.287
  468   1HG   LYS  65          1HG       LYS  65   2.229  10.678   2.843
  469   2HG   LYS  65          2HG       LYS  65   2.994  10.876   1.255
  470   1HD   LYS  65          1HD       LYS  65   1.002  11.113   0.090
  471   2HD   LYS  65          2HD       LYS  65   0.052  10.102   1.183
  472   1HE   LYS  65          1HE       LYS  65   0.938  13.059   1.617
  473   2HE   LYS  65          2HE       LYS  65  -0.687  12.503   1.178
  474   1HZ   LYS  65          1HZ       LYS  65  -0.307  10.976   3.394
  475   2HZ   LYS  65          2HZ       LYS  65   0.669  12.170   3.847
  476   3HZ   LYS  65          3HZ       LYS  65  -0.925  12.476   3.555
  477    H    MET  66           H        MET  66   1.248   6.132   1.966
  478    HA   MET  66           HA       MET  66  -0.627   5.489   3.867
  479   1HB   MET  66          1HB       MET  66  -0.304   4.185   1.792
  480   2HB   MET  66          2HB       MET  66   1.180   3.483   2.400
  481   1HG   MET  66          1HG       MET  66  -0.579   2.665   4.414
  482   2HG   MET  66          2HG       MET  66  -1.635   2.630   2.989
  483   1HE   MET  66          1HE       MET  66   0.351   2.163   0.596
  484   2HE   MET  66          2HE       MET  66   0.283   0.381   0.456
  485   3HE   MET  66          3HE       MET  66  -1.209   1.307   0.804
  486    H    MET  67           H        MET  67   2.629   4.016   4.167
  487    HA   MET  67           HA       MET  67   1.857   2.730   6.772
  488   1HB   MET  67          1HB       MET  67   3.545   1.191   6.357
  489   2HB   MET  67          2HB       MET  67   3.217   1.723   4.718
  490   1HG   MET  67          1HG       MET  67   5.322   2.552   4.396
  491   2HG   MET  67          2HG       MET  67   5.341   3.423   5.941
  492   1HE   MET  67          1HE       MET  67   7.365   2.016   4.254
  493   2HE   MET  67          2HE       MET  67   8.454   1.681   5.639
  494   3HE   MET  67          3HE       MET  67   7.826   0.331   4.644
  495    H    GLU  68           H        GLU  68   3.758   5.512   5.847
  496    HA   GLU  68           HA       GLU  68   4.596   6.134   8.654
  497   1HB   GLU  68          1HB       GLU  68   4.419   7.818   6.131
  498   2HB   GLU  68          2HB       GLU  68   4.733   8.556   7.672
  499   1HG   GLU  68          1HG       GLU  68   6.738   7.769   5.989
  500   2HG   GLU  68          2HG       GLU  68   6.970   7.821   7.727
  501    H    GLY  69           H        GLY  69   2.069   7.735   6.682
  502   1HA   GLY  69          1HA       GLY  69  -0.289   8.031   7.398
  503   2HA   GLY  69          2HA       GLY  69   0.203   7.778   9.077
  504    H    VAL  70           H        VAL  70   2.418   9.963   8.483
  505    HA   VAL  70           HA       VAL  70   0.926  11.927  10.206
  506    HB   VAL  70           HB       VAL  70   3.207  11.617  10.808
  507   1HG1  VAL  70          1HG1      VAL  70   4.053  12.333   7.908
  508   2HG1  VAL  70          2HG1      VAL  70   5.176  12.112   9.275
  509   3HG1  VAL  70          3HG1      VAL  70   4.224  10.744   8.693
  510   1HG2  VAL  70          1HG2      VAL  70   2.473  14.032  10.961
  511   2HG2  VAL  70          2HG2      VAL  70   4.201  13.915  10.664
  512   3HG2  VAL  70          3HG2      VAL  70   3.095  14.352   9.328
  513    H    GLN  71           H        GLN  71   0.430  14.047   9.630
  514    HA   GLN  71           HA       GLN  71   0.962  15.022   6.839
  515   1HB   GLN  71          1HB       GLN  71  -1.175  14.241   6.314
  516   2HB   GLN  71          2HB       GLN  71  -1.848  14.608   7.901
  517   1HG   GLN  71          1HG       GLN  71  -1.418  17.168   7.198
  518   2HG   GLN  71          2HG       GLN  71  -1.286  16.558   5.560
  519   1HE2  GLN  71          1HE2      GLN  71  -4.808  16.174   5.237
  520   2HE2  GLN  71          2HE2      GLN  71  -3.132  15.863   4.521
  521   1HN   NH2  72          1HN       NH2  72   2.367  16.685   7.406
  522   2HN   NH2  72          2HN       NH2  72   1.972  18.001   8.544
   
  No H/Q in entry =         522
  Start of MODEL    6
    1   1H    ACE   1          1HH3      ACE   1  17.162  12.304   0.232
    2   2H    ACE   1          2HH3      ACE   1  18.846  12.719   0.712
    3   3H    ACE   1          3HH3      ACE   1  18.230  13.154  -0.907
    4    H    LYS   2           H        LYS   2  18.504  10.206   1.099
    5    HA   LYS   2           HA       LYS   2  17.975   8.517  -1.243
    6   1HB   LYS   2          1HB       LYS   2  20.805   8.840  -0.464
    7   2HB   LYS   2          2HB       LYS   2  20.353   7.151  -0.389
    8   1HG   LYS   2          1HG       LYS   2  19.833   7.128  -2.828
    9   2HG   LYS   2          2HG       LYS   2  19.700   8.866  -2.889
   10   1HD   LYS   2          1HD       LYS   2  22.340   8.736  -2.138
   11   2HD   LYS   2          2HD       LYS   2  22.223   7.129  -2.857
   12   1HE   LYS   2          1HE       LYS   2  20.874   8.656  -4.784
   13   2HE   LYS   2          2HE       LYS   2  22.091   9.829  -4.248
   14   1HZ   LYS   2          1HZ       LYS   2  23.562   7.484  -4.402
   15   2HZ   LYS   2          2HZ       LYS   2  22.583   7.173  -5.584
   16   3HZ   LYS   2          3HZ       LYS   2  23.549   8.526  -5.640
   17    H    SER   3           H        SER   3  16.226   7.859   0.039
   18    HA   SER   3           HA       SER   3  17.019   5.283   1.466
   19   1HB   SER   3          1HB       SER   3  15.649   7.600   2.699
   20   2HB   SER   3          2HB       SER   3  14.724   6.133   2.912
   21    HG   SER   3           HG       SER   3  17.492   6.543   3.551
   22    H    GLU   4           H        GLU   4  16.159   5.766  -1.219
   23    HA   GLU   4           HA       GLU   4  13.335   4.721  -1.524
   24   1HB   GLU   4          1HB       GLU   4  13.587   6.023  -3.319
   25   2HB   GLU   4          2HB       GLU   4  15.318   5.797  -3.371
   26   1HG   GLU   4          1HG       GLU   4  14.731   3.389  -4.436
   27   2HG   GLU   4          2HG       GLU   4  13.141   4.088  -4.723
   28    H    GLU   5           H        GLU   5  16.472   3.431  -1.060
   29    HA   GLU   5           HA       GLU   5  16.128   0.883  -2.388
   30   1HB   GLU   5          1HB       GLU   5  18.316   1.507  -2.170
   31   2HB   GLU   5          2HB       GLU   5  18.170   2.050  -0.526
   32   1HG   GLU   5          1HG       GLU   5  18.092  -0.446   0.223
   33   2HG   GLU   5          2HG       GLU   5  18.405  -0.906  -1.440
   34    H    GLU   6           H        GLU   6  15.429   1.691   0.975
   35    HA   GLU   6           HA       GLU   6  14.842  -1.136   1.696
   36   1HB   GLU   6          1HB       GLU   6  15.803   1.047   3.074
   37   2HB   GLU   6          2HB       GLU   6  14.178   0.996   3.686
   38   1HG   GLU   6          1HG       GLU   6  15.582  -1.691   3.749
   39   2HG   GLU   6          2HG       GLU   6  16.342  -0.457   4.737
   40    H    LEU   7           H        LEU   7  12.775   1.706   1.159
   41    HA   LEU   7           HA       LEU   7  10.205   0.136   1.278
   42   1HB   LEU   7          1HB       LEU   7  10.927   2.898   0.173
   43   2HB   LEU   7          2HB       LEU   7   9.334   2.215  -0.040
   44    HG   LEU   7           HG       LEU   7  10.457   3.598   2.291
   45   1HD1  LEU   7          1HD1      LEU   7   8.344   4.222   1.137
   46   2HD1  LEU   7          2HD1      LEU   7   7.590   2.671   1.588
   47   3HD1  LEU   7          3HD1      LEU   7   8.029   3.862   2.841
   48   1HD2  LEU   7          1HD2      LEU   7   9.109   0.861   2.889
   49   2HD2  LEU   7          2HD2      LEU   7  10.760   1.362   3.348
   50   3HD2  LEU   7          3HD2      LEU   7   9.368   2.161   4.083
   51    H    ALA   8           H        ALA   8  12.591   0.845  -1.276
   52    HA   ALA   8           HA       ALA   8  11.347  -0.489  -3.473
   53   1HB   ALA   8          1HB       ALA   8  14.324  -0.454  -2.629
   54   2HB   ALA   8          2HB       ALA   8  13.724  -0.882  -4.244
   55   3HB   ALA   8          3HB       ALA   8  13.479   0.756  -3.624
   56    H    ASN   9           H        ASN   9  13.889  -2.346  -1.720
   57    HA   ASN   9           HA       ASN   9  13.037  -4.976  -1.972
   58   1HB   ASN   9          1HB       ASN   9  14.073  -3.654   0.632
   59   2HB   ASN   9          2HB       ASN   9  13.968  -5.378   0.409
   60   1HD2  ASN   9          1HD2      ASN   9  17.416  -4.188  -0.475
   61   2HD2  ASN   9          2HD2      ASN   9  16.333  -4.015   0.978
   62    H    ALA  10           H        ALA  10  11.451  -2.684   0.211
   63    HA   ALA  10           HA       ALA  10   9.541  -4.597   1.469
   64   1HB   ALA  10          1HB       ALA  10  10.323  -2.473   2.536
   65   2HB   ALA  10          2HB       ALA  10   9.495  -1.505   1.289
   66   3HB   ALA  10          3HB       ALA  10   8.553  -2.506   2.416
   67    H    PHE  11           H        PHE  11   9.157  -2.217  -1.180
   68    HA   PHE  11           HA       PHE  11   6.368  -2.832  -1.816
   69   1HB   PHE  11          1HB       PHE  11   7.555  -0.706  -2.386
   70   2HB   PHE  11          2HB       PHE  11   8.558  -1.538  -3.526
   71    HD1  PHE  11           HD1      PHE  11   7.658  -2.272  -5.789
   72    HD2  PHE  11           HD2      PHE  11   5.156  -0.195  -2.971
   73    HE1  PHE  11           HE1      PHE  11   6.130  -1.619  -7.608
   74    HE2  PHE  11           HE2      PHE  11   3.636   0.435  -4.800
   75    HZ   PHE  11           HZ       PHE  11   4.136  -0.236  -7.117
   76    H    ARG  12           H        ARG  12   9.359  -4.175  -3.197
   77    HA   ARG  12           HA       ARG  12   8.043  -6.119  -4.979
   78   1HB   ARG  12          1HB       ARG  12  10.142  -6.816  -5.544
   79   2HB   ARG  12          2HB       ARG  12  10.583  -5.273  -4.821
   80   1HG   ARG  12          1HG       ARG  12  11.394  -6.316  -2.783
   81   2HG   ARG  12          2HG       ARG  12  10.546  -7.836  -3.095
   82   1HD   ARG  12          1HD       ARG  12  13.220  -7.529  -3.581
   83   2HD   ARG  12          2HD       ARG  12  12.201  -8.658  -4.516
   84    HE   ARG  12           HE       ARG  12  12.158  -7.072  -6.403
   85   1HH1  ARG  12          2HH1      ARG  12  13.903  -5.726  -3.729
   86   2HH1  ARG  12          1HH1      ARG  12  14.628  -4.403  -4.763
   87   1HH2  ARG  12          1HH2      ARG  12  13.000  -5.606  -7.546
   88   2HH2  ARG  12          2HH2      ARG  12  14.137  -4.365  -6.844
   89    H    ILE  13           H        ILE  13   9.095  -6.368  -1.572
   90    HA   ILE  13           HA       ILE  13   8.828  -9.338  -1.472
   91    HB   ILE  13           HB       ILE  13   9.546  -7.227   0.609
   92   1HG1  ILE  13          1HG1      ILE  13  11.286  -8.212  -1.150
   93   2HG1  ILE  13          2HG1      ILE  13  11.757  -7.974   0.511
   94   1HG2  ILE  13          1HG2      ILE  13   8.226  -8.964   1.881
   95   2HG2  ILE  13          2HG2      ILE  13   9.234 -10.263   1.202
   96   3HG2  ILE  13          3HG2      ILE  13   9.920  -9.070   2.322
   97   1HD1  ILE  13          1HD1      ILE  13  11.400 -10.403   1.066
   98   2HD1  ILE  13          2HD1      ILE  13  10.976 -10.723  -0.634
   99   3HD1  ILE  13          3HD1      ILE  13  12.605 -10.155  -0.219
  100    H    PHE  14           H        PHE  14   6.837  -6.613  -0.517
  101    HA   PHE  14           HA       PHE  14   4.504  -8.079   0.661
  102   1HB   PHE  14          1HB       PHE  14   4.808  -5.384  -0.809
  103   2HB   PHE  14          2HB       PHE  14   3.248  -6.001  -0.372
  104    HD1  PHE  14           HD1      PHE  14   3.958  -7.213   2.407
  105    HD2  PHE  14           HD2      PHE  14   4.913  -3.441   0.588
  106    HE1  PHE  14           HE1      PHE  14   4.083  -6.169   4.634
  107    HE2  PHE  14           HE2      PHE  14   5.059  -2.408   2.819
  108    HZ   PHE  14           HZ       PHE  14   4.593  -3.761   4.846
  109    H    ASP  15           H        ASP  15   5.317  -6.973  -2.652
  110    HA   ASP  15           HA       ASP  15   2.934  -7.892  -3.957
  111   1HB   ASP  15          1HB       ASP  15   4.460  -6.186  -4.883
  112   2HB   ASP  15          2HB       ASP  15   5.748  -7.361  -5.101
  113    H    LYS  16           H        LYS  16   2.256  -9.687  -5.031
  114    HA   LYS  16           HA       LYS  16   3.793 -12.252  -4.440
  115   1HB   LYS  16          1HB       LYS  16   1.731 -13.524  -4.297
  116   2HB   LYS  16          2HB       LYS  16   1.654 -12.200  -3.169
  117   1HG   LYS  16          1HG       LYS  16   0.377 -11.381  -5.712
  118   2HG   LYS  16          2HG       LYS  16  -0.194 -12.990  -5.288
  119   1HD   LYS  16          1HD       LYS  16  -0.320 -10.522  -3.430
  120   2HD   LYS  16          2HD       LYS  16  -1.645 -11.143  -4.412
  121   1HE   LYS  16          1HE       LYS  16  -1.976 -11.855  -2.077
  122   2HE   LYS  16          2HE       LYS  16  -1.787 -13.270  -3.133
  123   1HZ   LYS  16          1HZ       LYS  16   0.686 -12.038  -1.952
  124   2HZ   LYS  16          2HZ       LYS  16  -0.188 -13.002  -0.948
  125   3HZ   LYS  16          3HZ       LYS  16   0.469 -13.604  -2.340
  126    H    ASN  17           H        ASN  17   1.938 -10.396  -6.787
  127    HA   ASN  17           HA       ASN  17   1.995 -12.594  -8.814
  128   1HB   ASN  17          1HB       ASN  17  -0.134 -11.762  -8.737
  129   2HB   ASN  17          2HB       ASN  17   0.351 -10.143  -8.310
  130   1HD2  ASN  17          1HD2      ASN  17  -0.242  -8.987 -11.556
  131   2HD2  ASN  17          2HD2      ASN  17  -0.225  -8.659  -9.793
  132    H    ALA  18           H        ALA  18   3.264  -9.233  -8.733
  133    HA   ALA  18           HA       ALA  18   5.461  -8.560  -9.580
  134   1HB   ALA  18          1HB       ALA  18   6.124 -10.984  -9.366
  135   2HB   ALA  18          2HB       ALA  18   5.405 -11.317 -10.957
  136   3HB   ALA  18          3HB       ALA  18   6.812 -10.245 -10.838
  137    H    ASP  19           H        ASP  19   3.198  -7.472 -10.780
  138    HA   ASP  19           HA       ASP  19   4.434  -6.901 -13.520
  139   1HB   ASP  19          1HB       ASP  19   1.800  -7.264 -12.938
  140   2HB   ASP  19          2HB       ASP  19   1.869  -5.541 -12.597
  141    H    GLY  20           H        GLY  20   5.448  -6.091 -10.705
  142   1HA   GLY  20          1HA       GLY  20   6.289  -4.161  -9.491
  143   2HA   GLY  20          2HA       GLY  20   6.256  -3.298 -11.033
  144    H    TYR  21           H        TYR  21   3.216  -4.525  -9.917
  145    HA   TYR  21           HA       TYR  21   2.343  -1.743  -8.930
  146   1HB   TYR  21          1HB       TYR  21   0.845  -3.959 -10.431
  147   2HB   TYR  21          2HB       TYR  21  -0.043  -2.842  -9.437
  148    HD1  TYR  21           HD1      TYR  21   2.959  -1.831 -11.472
  149    HD2  TYR  21           HD2      TYR  21  -1.325  -1.695 -11.105
  150    HE1  TYR  21           HE1      TYR  21   2.837  -0.253 -13.361
  151    HE2  TYR  21           HE2      TYR  21  -1.418  -0.136 -13.024
  152    HH   TYR  21           HH       TYR  21   0.285   0.246 -15.154
  153    H    ILE  22           H        ILE  22   0.880  -1.615  -7.086
  154    HA   ILE  22           HA       ILE  22   0.069  -4.272  -5.770
  155    HB   ILE  22           HB       ILE  22   0.509  -1.580  -4.369
  156   1HG1  ILE  22          1HG1      ILE  22   2.269  -4.069  -4.544
  157   2HG1  ILE  22          2HG1      ILE  22   2.724  -2.388  -4.609
  158   1HG2  ILE  22          1HG2      ILE  22  -1.368  -2.884  -3.272
  159   2HG2  ILE  22          2HG2      ILE  22  -0.314  -4.303  -3.112
  160   3HG2  ILE  22          3HG2      ILE  22   0.023  -2.807  -2.204
  161   1HD1  ILE  22          1HD1      ILE  22   2.242  -2.106  -2.123
  162   2HD1  ILE  22          2HD1      ILE  22   1.975  -3.865  -2.021
  163   3HD1  ILE  22          3HD1      ILE  22   3.564  -3.237  -2.505
  164    H    ASP  23           H        ASP  23  -2.006  -4.725  -5.691
  165    HA   ASP  23           HA       ASP  23  -4.031  -2.659  -6.689
  166   1HB   ASP  23          1HB       ASP  23  -5.395  -4.840  -7.250
  167   2HB   ASP  23          2HB       ASP  23  -4.017  -4.420  -8.258
  168    H    ILE  24           H        ILE  24  -6.341  -3.178  -5.953
  169    HA   ILE  24           HA       ILE  24  -6.538  -2.882  -2.960
  170    HB   ILE  24           HB       ILE  24  -8.077  -1.827  -4.913
  171   1HG1  ILE  24          1HG1      ILE  24  -8.728  -2.392  -1.989
  172   2HG1  ILE  24          2HG1      ILE  24  -8.427  -0.871  -2.784
  173   1HG2  ILE  24          1HG2      ILE  24  -9.106  -4.019  -5.672
  174   2HG2  ILE  24          2HG2      ILE  24  -9.746  -4.299  -4.040
  175   3HG2  ILE  24          3HG2      ILE  24 -10.345  -2.949  -5.038
  176   1HD1  ILE  24          1HD1      ILE  24 -10.683  -0.980  -3.960
  177   2HD1  ILE  24          2HD1      ILE  24 -11.073  -2.419  -2.987
  178   3HD1  ILE  24          3HD1      ILE  24 -10.775  -0.863  -2.183
  179    H    GLU  25           H        GLU  25  -6.785  -5.461  -5.286
  180    HA   GLU  25           HA       GLU  25  -8.197  -7.425  -3.514
  181   1HB   GLU  25          1HB       GLU  25  -6.887  -7.643  -6.242
  182   2HB   GLU  25          2HB       GLU  25  -7.314  -9.084  -5.370
  183   1HG   GLU  25          1HG       GLU  25  -9.658  -8.760  -5.677
  184   2HG   GLU  25          2HG       GLU  25  -9.542  -7.011  -5.734
  185    H    GLU  26           H        GLU  26  -4.864  -6.568  -4.125
  186    HA   GLU  26           HA       GLU  26  -3.692  -8.818  -2.523
  187   1HB   GLU  26          1HB       GLU  26  -2.458  -6.348  -3.799
  188   2HB   GLU  26          2HB       GLU  26  -1.532  -7.377  -2.749
  189   1HG   GLU  26          1HG       GLU  26  -1.874  -9.341  -4.338
  190   2HG   GLU  26          2HG       GLU  26  -2.865  -8.342  -5.384
  191    H    LEU  27           H        LEU  27  -4.928  -5.682  -1.784
  192    HA   LEU  27           HA       LEU  27  -3.085  -4.890   0.327
  193   1HB   LEU  27          1HB       LEU  27  -4.452  -3.324  -1.013
  194   2HB   LEU  27          2HB       LEU  27  -5.928  -3.906  -0.288
  195    HG   LEU  27           HG       LEU  27  -5.313  -1.720   0.672
  196   1HD1  LEU  27          1HD1      LEU  27  -6.542  -3.336   2.124
  197   2HD1  LEU  27          2HD1      LEU  27  -5.006  -3.973   2.777
  198   3HD1  LEU  27          3HD1      LEU  27  -5.500  -2.282   3.077
  199   1HD2  LEU  27          1HD2      LEU  27  -2.730  -3.072   1.755
  200   2HD2  LEU  27          2HD2      LEU  27  -2.806  -1.816   0.483
  201   3HD2  LEU  27          3HD2      LEU  27  -3.302  -1.423   2.133
  202    H    GLY  28           H        GLY  28  -6.456  -6.121   0.820
  203   1HA   GLY  28          1HA       GLY  28  -6.133  -6.824   3.627
  204   2HA   GLY  28          2HA       GLY  28  -7.313  -7.573   2.545
  205    H    GLU  29           H        GLU  29  -5.052  -8.686   0.796
  206    HA   GLU  29           HA       GLU  29  -4.090 -10.974   2.389
  207   1HB   GLU  29          1HB       GLU  29  -2.965 -10.110  -0.305
  208   2HB   GLU  29          2HB       GLU  29  -2.874 -11.688   0.415
  209   1HG   GLU  29          1HG       GLU  29  -5.320 -10.343  -0.883
  210   2HG   GLU  29          2HG       GLU  29  -4.572 -11.872  -1.307
  211    H    ILE  30           H        ILE  30  -2.660  -7.860   1.710
  212    HA   ILE  30           HA       ILE  30   0.055  -8.335   2.886
  213    HB   ILE  30           HB       ILE  30  -1.576  -5.802   2.391
  214   1HG1  ILE  30          1HG1      ILE  30   1.202  -6.582   1.276
  215   2HG1  ILE  30          2HG1      ILE  30  -0.291  -6.905   0.438
  216   1HG2  ILE  30          1HG2      ILE  30  -0.314  -5.402   4.537
  217   2HG2  ILE  30          2HG2      ILE  30   1.210  -5.898   3.755
  218   3HG2  ILE  30          3HG2      ILE  30   0.354  -4.419   3.238
  219   1HD1  ILE  30          1HD1      ILE  30   0.640  -4.026   1.074
  220   2HD1  ILE  30          2HD1      ILE  30   0.725  -4.870  -0.486
  221   3HD1  ILE  30          3HD1      ILE  30  -0.856  -4.495   0.226
  222    H    LEU  31           H        LEU  31  -2.827  -6.679   4.286
  223    HA   LEU  31           HA       LEU  31  -1.641  -6.581   7.045
  224   1HB   LEU  31          1HB       LEU  31  -4.600  -6.193   6.619
  225   2HB   LEU  31          2HB       LEU  31  -3.513  -5.344   7.690
  226    HG   LEU  31           HG       LEU  31  -4.180  -4.769   4.801
  227   1HD1  LEU  31          1HD1      LEU  31  -3.619  -3.018   7.289
  228   2HD1  LEU  31          2HD1      LEU  31  -4.086  -2.405   5.680
  229   3HD1  LEU  31          3HD1      LEU  31  -5.206  -3.432   6.583
  230   1HD2  LEU  31          1HD2      LEU  31  -1.424  -4.044   6.032
  231   2HD2  LEU  31          2HD2      LEU  31  -1.717  -5.020   4.565
  232   3HD2  LEU  31          3HD2      LEU  31  -2.112  -3.298   4.565
  233    H    ARG  32           H        ARG  32  -3.808  -8.748   5.330
  234    HA   ARG  32           HA       ARG  32  -4.603 -10.135   7.957
  235   1HB   ARG  32          1HB       ARG  32  -5.982  -8.491   6.098
  236   2HB   ARG  32          2HB       ARG  32  -6.578 -10.107   5.723
  237   1HG   ARG  32          1HG       ARG  32  -6.545  -8.840   8.558
  238   2HG   ARG  32          2HG       ARG  32  -7.921  -8.753   7.442
  239   1HD   ARG  32          1HD       ARG  32  -7.251 -11.545   7.486
  240   2HD   ARG  32          2HD       ARG  32  -7.046 -11.031   9.175
  241    HE   ARG  32           HE       ARG  32  -9.591 -10.120   7.764
  242   1HH1  ARG  32          2HH1      ARG  32  -8.181 -12.210  10.155
  243   2HH1  ARG  32          1HH1      ARG  32  -9.808 -12.573  10.905
  244   1HH2  ARG  32          1HH2      ARG  32 -11.400 -10.527   8.655
  245   2HH2  ARG  32          2HH2      ARG  32 -11.526 -11.648  10.087
  246    H    ALA  33           H        ALA  33  -2.959 -10.814   5.046
  247    HA   ALA  33           HA       ALA  33  -3.276 -13.785   5.626
  248   1HB   ALA  33          1HB       ALA  33  -3.437 -12.991   3.272
  249   2HB   ALA  33          2HB       ALA  33  -1.803 -12.279   3.364
  250   3HB   ALA  33          3HB       ALA  33  -2.022 -14.039   3.473
  251    H    THR  34           H        THR  34  -0.932 -14.880   4.986
  252    HA   THR  34           HA       THR  34   0.508 -14.638   7.608
  253    HB   THR  34           HB       THR  34   1.673 -16.672   7.031
  254    HG1  THR  34           HG1      THR  34   2.249 -16.635   4.992
  255   1HG2  THR  34          2HG2      THR  34  -0.848 -16.865   7.557
  256   2HG2  THR  34          3HG2      THR  34  -1.167 -16.904   5.804
  257   3HG2  THR  34          1HG2      THR  34  -0.236 -18.210   6.561
  258    H    GLY  35           H        GLY  35   1.409 -14.225   4.176
  259   1HA   GLY  35          1HA       GLY  35   2.475 -11.789   3.989
  260   2HA   GLY  35          2HA       GLY  35   3.798 -12.456   4.954
  261   1HN   NH2  36          1HN       NH2  36   5.219 -14.176   3.992
  262   2HN   NH2  36          2HN       NH2  36   5.411 -14.243   2.220
  263   1H    ACE  37          1HH3      ACE  37 -12.948  -4.220  13.864
  264   2H    ACE  37          2HH3      ACE  37 -11.388  -3.852  14.677
  265   3H    ACE  37          3HH3      ACE  37 -12.584  -2.559  14.402
  266    H    VAL  38           H        VAL  38 -10.970  -5.061  12.392
  267    HA   VAL  38           HA       VAL  38 -10.101  -2.861  10.422
  268    HB   VAL  38           HB       VAL  38  -8.196  -4.470   9.771
  269   1HG1  VAL  38          1HG1      VAL  38  -8.101  -3.062  12.539
  270   2HG1  VAL  38          2HG1      VAL  38  -6.665  -3.631  11.658
  271   3HG1  VAL  38          3HG1      VAL  38  -7.669  -2.350  10.974
  272   1HG2  VAL  38          1HG2      VAL  38  -8.901  -6.530  11.064
  273   2HG2  VAL  38          2HG2      VAL  38  -7.301  -5.972  11.596
  274   3HG2  VAL  38          3HG2      VAL  38  -8.739  -5.634  12.590
  275    H    THR  39           H        THR  39 -12.200  -3.207   9.466
  276    HA   THR  39           HA       THR  39 -12.593  -5.835   7.929
  277    HB   THR  39           HB       THR  39 -14.932  -5.556   7.876
  278    HG1  THR  39           HG1      THR  39 -14.850  -3.039   9.126
  279   1HG2  THR  39          2HG2      THR  39 -14.043  -4.438  10.628
  280   2HG2  THR  39          3HG2      THR  39 -15.631  -5.162  10.275
  281   3HG2  THR  39          1HG2      THR  39 -14.163  -6.158  10.190
  282    H    GLU  40           H        GLU  40 -14.051  -5.045   5.773
  283    HA   GLU  40           HA       GLU  40 -11.660  -4.215   4.170
  284   1HB   GLU  40          1HB       GLU  40 -12.810  -6.136   3.401
  285   2HB   GLU  40          2HB       GLU  40 -14.371  -5.375   3.431
  286   1HG   GLU  40          1HG       GLU  40 -13.838  -4.023   1.394
  287   2HG   GLU  40          2HG       GLU  40 -12.157  -4.524   1.428
  288    H    GLU  41           H        GLU  41 -14.939  -2.883   4.581
  289    HA   GLU  41           HA       GLU  41 -14.669  -0.707   2.736
  290   1HB   GLU  41          1HB       GLU  41 -16.554  -0.207   4.989
  291   2HB   GLU  41          2HB       GLU  41 -16.796  -0.086   3.273
  292   1HG   GLU  41          1HG       GLU  41 -16.658  -2.850   3.456
  293   2HG   GLU  41          2HG       GLU  41 -17.188  -2.505   5.093
  294    H    ASP  42           H        ASP  42 -13.613  -0.765   6.055
  295    HA   ASP  42           HA       ASP  42 -12.877   2.152   6.250
  296   1HB   ASP  42          1HB       ASP  42 -12.374  -0.336   7.966
  297   2HB   ASP  42          2HB       ASP  42 -11.440   1.125   8.257
  298    H    ILE  43           H        ILE  43 -11.171  -0.874   5.489
  299    HA   ILE  43           HA       ILE  43  -8.521   0.319   4.823
  300    HB   ILE  43           HB       ILE  43  -9.824  -2.349   4.202
  301   1HG1  ILE  43          1HG1      ILE  43  -6.991  -1.899   5.324
  302   2HG1  ILE  43          2HG1      ILE  43  -8.381  -1.775   6.368
  303   1HG2  ILE  43          1HG2      ILE  43  -8.703  -1.771   2.015
  304   2HG2  ILE  43          2HG2      ILE  43  -7.185  -1.403   2.859
  305   3HG2  ILE  43          3HG2      ILE  43  -7.820  -3.067   2.809
  306   1HD1  ILE  43          1HD1      ILE  43  -9.105  -4.137   5.816
  307   2HD1  ILE  43          2HD1      ILE  43  -7.613  -4.350   4.862
  308   3HD1  ILE  43          3HD1      ILE  43  -7.516  -4.031   6.607
  309    H    GLU  44           H        GLU  44 -11.559  -0.008   3.090
  310    HA   GLU  44           HA       GLU  44 -10.456   0.715   0.394
  311   1HB   GLU  44          1HB       GLU  44 -12.263  -0.299  -0.325
  312   2HB   GLU  44          2HB       GLU  44 -12.816  -0.544   1.304
  313   1HG   GLU  44          1HG       GLU  44 -14.681   0.707   0.801
  314   2HG   GLU  44          2HG       GLU  44 -13.681   2.143   0.681
  315    H    ASP  45           H        ASP  45 -12.001   2.456   3.021
  316    HA   ASP  45           HA       ASP  45 -12.234   5.081   1.574
  317   1HB   ASP  45          1HB       ASP  45 -12.692   4.167   4.468
  318   2HB   ASP  45          2HB       ASP  45 -12.699   5.878   4.061
  319    H    LEU  46           H        LEU  46  -9.932   3.710   3.946
  320    HA   LEU  46           HA       LEU  46  -7.801   5.748   3.654
  321   1HB   LEU  46          1HB       LEU  46  -7.827   3.924   5.346
  322   2HB   LEU  46          2HB       LEU  46  -7.604   2.710   4.109
  323    HG   LEU  46           HG       LEU  46  -5.442   4.828   4.181
  324   1HD1  LEU  46          1HD1      LEU  46  -6.237   4.101   6.679
  325   2HD1  LEU  46          2HD1      LEU  46  -5.139   2.729   6.344
  326   3HD1  LEU  46          3HD1      LEU  46  -4.549   4.413   6.249
  327   1HD2  LEU  46          1HD2      LEU  46  -5.676   1.895   3.497
  328   2HD2  LEU  46          2HD2      LEU  46  -4.600   3.160   2.834
  329   3HD2  LEU  46          3HD2      LEU  46  -4.183   2.371   4.357
  330    H    MET  47           H        MET  47  -8.231   2.775   1.699
  331    HA   MET  47           HA       MET  47  -6.228   3.239  -0.261
  332   1HB   MET  47          1HB       MET  47  -7.621   1.150  -0.031
  333   2HB   MET  47          2HB       MET  47  -8.979   1.971  -0.782
  334   1HG   MET  47          1HG       MET  47  -8.199   1.073  -2.755
  335   2HG   MET  47          2HG       MET  47  -7.049   2.423  -2.739
  336   1HE   MET  47          1HE       MET  47  -6.388   0.103  -4.414
  337   2HE   MET  47          2HE       MET  47  -5.165   1.359  -4.068
  338   3HE   MET  47          3HE       MET  47  -4.720  -0.367  -3.937
  339    H    LYS  48           H        LYS  48  -9.570   4.507  -0.352
  340    HA   LYS  48           HA       LYS  48  -9.236   6.126  -2.843
  341   1HB   LYS  48          1HB       LYS  48 -11.312   5.613  -0.755
  342   2HB   LYS  48          2HB       LYS  48 -11.431   7.213  -1.419
  343   1HG   LYS  48          1HG       LYS  48 -12.267   6.398  -3.491
  344   2HG   LYS  48          2HG       LYS  48 -11.118   5.098  -3.543
  345   1HD   LYS  48          1HD       LYS  48 -12.858   3.705  -3.214
  346   2HD   LYS  48          2HD       LYS  48 -12.672   4.033  -1.523
  347   1HE   LYS  48          1HE       LYS  48 -15.026   4.385  -1.836
  348   2HE   LYS  48          2HE       LYS  48 -14.434   6.032  -1.964
  349   1HZ   LYS  48          1HZ       LYS  48 -14.175   5.407  -4.544
  350   2HZ   LYS  48          2HZ       LYS  48 -15.256   4.280  -4.283
  351   3HZ   LYS  48          3HZ       LYS  48 -15.646   5.866  -4.007
  352    H    ASP  49           H        ASP  49  -8.484   6.616   0.521
  353    HA   ASP  49           HA       ASP  49  -8.279   9.628   0.432
  354   1HB   ASP  49          1HB       ASP  49  -8.846   8.525   2.575
  355   2HB   ASP  49          2HB       ASP  49  -7.358   7.588   2.555
  356    H    SER  50           H        SER  50  -5.798   6.986   0.521
  357    HA   SER  50           HA       SER  50  -3.560   8.428  -0.446
  358   1HB   SER  50          1HB       SER  50  -4.378   5.605  -1.404
  359   2HB   SER  50          2HB       SER  50  -2.752   6.278  -1.479
  360    HG   SER  50           HG       SER  50  -3.812   6.533   1.025
  361    H    ASP  51           H        ASP  51  -6.282   7.284  -2.422
  362    HA   ASP  51           HA       ASP  51  -5.128   7.957  -5.021
  363   1HB   ASP  51          1HB       ASP  51  -6.969   6.234  -4.452
  364   2HB   ASP  51          2HB       ASP  51  -8.121   7.561  -4.386
  365    H    LYS  52           H        LYS  52  -5.437   9.584  -6.459
  366    HA   LYS  52           HA       LYS  52  -7.546  11.681  -5.942
  367   1HB   LYS  52          1HB       LYS  52  -4.709  12.488  -6.783
  368   2HB   LYS  52          2HB       LYS  52  -6.035  13.597  -6.617
  369   1HG   LYS  52          1HG       LYS  52  -4.998  13.968  -4.521
  370   2HG   LYS  52          2HG       LYS  52  -6.051  12.674  -4.043
  371   1HD   LYS  52          1HD       LYS  52  -4.387  11.002  -3.997
  372   2HD   LYS  52          2HD       LYS  52  -3.280  11.819  -5.050
  373   1HE   LYS  52          1HE       LYS  52  -3.941  12.628  -2.102
  374   2HE   LYS  52          2HE       LYS  52  -2.506  11.750  -2.629
  375   1HZ   LYS  52          1HZ       LYS  52  -2.883  14.321  -4.105
  376   2HZ   LYS  52          2HZ       LYS  52  -2.498  14.494  -2.503
  377   3HZ   LYS  52          3HZ       LYS  52  -1.551  13.670  -3.546
  378    H    ASN  53           H        ASN  53  -5.024  10.717  -8.299
  379    HA   ASN  53           HA       ASN  53  -6.457  11.761 -10.603
  380   1HB   ASN  53          1HB       ASN  53  -4.541  11.011 -11.907
  381   2HB   ASN  53          2HB       ASN  53  -3.928  11.497 -10.351
  382   1HD2  ASN  53          1HD2      ASN  53  -2.897   7.929 -11.608
  383   2HD2  ASN  53          2HD2      ASN  53  -3.511   9.289 -12.651
  384    H    ASN  54           H        ASN  54  -7.486   9.145  -9.002
  385    HA   ASN  54           HA       ASN  54  -9.073   7.416  -9.503
  386   1HB   ASN  54          1HB       ASN  54  -9.287   9.184 -12.017
  387   2HB   ASN  54          2HB       ASN  54 -10.111   7.650 -11.981
  388   1HD2  ASN  54          1HD2      ASN  54 -11.652   9.702  -8.902
  389   2HD2  ASN  54          2HD2      ASN  54  -9.943   9.072  -8.856
  390    H    ASP  55           H        ASP  55  -6.165   7.167 -10.125
  391    HA   ASP  55           HA       ASP  55  -6.343   4.553 -11.703
  392   1HB   ASP  55          1HB       ASP  55  -4.106   6.396 -10.951
  393   2HB   ASP  55          2HB       ASP  55  -3.720   4.703 -10.680
  394    H    GLY  56           H        GLY  56  -7.883   3.675 -10.228
  395   1HA   GLY  56          1HA       GLY  56  -7.753   3.227  -7.344
  396   2HA   GLY  56          2HA       GLY  56  -8.509   2.120  -8.496
  397    H    ARG  57           H        ARG  57  -5.916   1.652  -9.927
  398    HA   ARG  57           HA       ARG  57  -4.494  -0.198  -7.981
  399   1HB   ARG  57          1HB       ARG  57  -3.913   0.246 -10.968
  400   2HB   ARG  57          2HB       ARG  57  -3.348  -1.089  -9.963
  401   1HG   ARG  57          1HG       ARG  57  -6.038  -1.457  -9.574
  402   2HG   ARG  57          2HG       ARG  57  -6.155  -0.557 -11.084
  403   1HD   ARG  57          1HD       ARG  57  -4.195  -2.927 -10.934
  404   2HD   ARG  57          2HD       ARG  57  -5.924  -3.252 -11.043
  405    HE   ARG  57           HE       ARG  57  -5.914  -1.438 -13.059
  406   1HH1  ARG  57          2HH1      ARG  57  -3.591  -3.961 -12.575
  407   2HH1  ARG  57          1HH1      ARG  57  -3.124  -3.942 -14.355
  408   1HH2  ARG  57          1HH2      ARG  57  -5.346  -1.411 -14.972
  409   2HH2  ARG  57          2HH2      ARG  57  -4.143  -2.608 -15.667
  410    H    ILE  58           H        ILE  58  -2.460  -0.021  -7.262
  411    HA   ILE  58           HA       ILE  58  -1.446   2.842  -7.173
  412    HB   ILE  58           HB       ILE  58  -1.410   0.589  -5.109
  413   1HG1  ILE  58          1HG1      ILE  58  -2.747   3.379  -5.110
  414   2HG1  ILE  58          2HG1      ILE  58  -3.562   1.847  -5.256
  415   1HG2  ILE  58          1HG2      ILE  58   0.797   1.815  -4.897
  416   2HG2  ILE  58          2HG2      ILE  58  -0.057   3.367  -4.778
  417   3HG2  ILE  58          3HG2      ILE  58  -0.226   2.139  -3.501
  418   1HD1  ILE  58          1HD1      ILE  58  -2.850   1.157  -2.922
  419   2HD1  ILE  58          2HD1      ILE  58  -2.126   2.769  -2.695
  420   3HD1  ILE  58          3HD1      ILE  58  -3.875   2.613  -2.968
  421    H    ASP  59           H        ASP  59   0.666   3.406  -7.266
  422    HA   ASP  59           HA       ASP  59   2.734   1.306  -8.099
  423   1HB   ASP  59          1HB       ASP  59   3.715   2.881  -9.714
  424   2HB   ASP  59          2HB       ASP  59   2.005   2.671 -10.065
  425    H    PHE  60           H        PHE  60   5.063   2.710  -7.991
  426    HA   PHE  60           HA       PHE  60   5.663   2.201  -5.125
  427   1HB   PHE  60          1HB       PHE  60   7.199   1.909  -7.235
  428   2HB   PHE  60          2HB       PHE  60   7.496   3.613  -7.150
  429    HD1  PHE  60           HD1      PHE  60   7.234   2.825  -3.738
  430    HD2  PHE  60           HD2      PHE  60   9.848   2.115  -7.072
  431    HE1  PHE  60           HE1      PHE  60   9.160   2.651  -2.203
  432    HE2  PHE  60           HE2      PHE  60  11.751   1.913  -5.539
  433    HZ   PHE  60           HZ       PHE  60  11.430   2.237  -3.106
  434    H    ASP  61           H        ASP  61   5.299   5.175  -7.013
  435    HA   ASP  61           HA       ASP  61   5.971   7.239  -5.062
  436   1HB   ASP  61          1HB       ASP  61   3.592   7.589  -7.054
  437   2HB   ASP  61          2HB       ASP  61   4.977   8.592  -6.709
  438    H    GLU  62           H        GLU  62   2.672   6.394  -5.939
  439    HA   GLU  62           HA       GLU  62   1.054   7.142  -3.717
  440   1HB   GLU  62          1HB       GLU  62   0.829   4.463  -5.157
  441   2HB   GLU  62          2HB       GLU  62  -0.417   5.219  -4.207
  442   1HG   GLU  62          1HG       GLU  62   0.680   6.710  -6.674
  443   2HG   GLU  62          2HG       GLU  62  -0.450   5.388  -6.899
  444    H    PHE  63           H        PHE  63   3.315   4.407  -3.742
  445    HA   PHE  63           HA       PHE  63   2.361   3.095  -1.216
  446   1HB   PHE  63          1HB       PHE  63   3.677   1.989  -3.137
  447   2HB   PHE  63          2HB       PHE  63   5.091   2.841  -2.618
  448    HD1  PHE  63           HD1      PHE  63   2.648   1.249  -0.193
  449    HD2  PHE  63           HD2      PHE  63   6.463   0.916  -2.155
  450    HE1  PHE  63           HE1      PHE  63   3.355  -0.463   1.436
  451    HE2  PHE  63           HE2      PHE  63   7.115  -0.834  -0.577
  452    HZ   PHE  63           HZ       PHE  63   5.611  -1.464   1.281
  453    H    LEU  64           H        LEU  64   5.021   5.333  -1.996
  454    HA   LEU  64           HA       LEU  64   6.078   5.624   0.712
  455   1HB   LEU  64          1HB       LEU  64   6.235   7.518  -1.691
  456   2HB   LEU  64          2HB       LEU  64   7.133   7.790  -0.214
  457    HG   LEU  64           HG       LEU  64   7.491   5.106  -1.614
  458   1HD1  LEU  64          1HD1      LEU  64   8.702   7.773  -2.621
  459   2HD1  LEU  64          2HD1      LEU  64   9.273   6.151  -3.096
  460   3HD1  LEU  64          3HD1      LEU  64   7.627   6.649  -3.497
  461   1HD2  LEU  64          1HD2      LEU  64   9.428   6.985  -0.070
  462   2HD2  LEU  64          2HD2      LEU  64   8.757   5.431   0.504
  463   3HD2  LEU  64          3HD2      LEU  64   9.900   5.452  -0.845
  464    H    LYS  65           H        LYS  65   3.405   7.359  -0.820
  465    HA   LYS  65           HA       LYS  65   2.866   9.150   1.512
  466   1HB   LYS  65          1HB       LYS  65   1.587   8.305  -1.120
  467   2HB   LYS  65          2HB       LYS  65   0.607   9.244  -0.009
  468   1HG   LYS  65          1HG       LYS  65   2.571  11.034  -0.134
  469   2HG   LYS  65          2HG       LYS  65   3.216  10.044  -1.456
  470   1HD   LYS  65          1HD       LYS  65   1.881  11.457  -2.710
  471   2HD   LYS  65          2HD       LYS  65   0.729  10.141  -2.460
  472   1HE   LYS  65          1HE       LYS  65  -0.445  12.290  -2.142
  473   2HE   LYS  65          2HE       LYS  65  -0.287  11.542  -0.542
  474   1HZ   LYS  65          1HZ       LYS  65   2.082  12.976  -0.649
  475   2HZ   LYS  65          2HZ       LYS  65   1.150  13.936  -1.578
  476   3HZ   LYS  65          3HZ       LYS  65   0.696  13.649  -0.063
  477    H    MET  66           H        MET  66   1.158   6.181   0.327
  478    HA   MET  66           HA       MET  66  -0.427   5.534   2.551
  479   1HB   MET  66          1HB       MET  66  -0.458   4.209   0.497
  480   2HB   MET  66          2HB       MET  66   1.198   3.686   0.719
  481   1HG   MET  66          1HG       MET  66   0.625   1.890   2.005
  482   2HG   MET  66          2HG       MET  66  -0.434   2.844   3.061
  483   1HE   MET  66          1HE       MET  66  -0.063   0.466   0.085
  484   2HE   MET  66          2HE       MET  66  -1.534   0.721  -0.899
  485   3HE   MET  66          3HE       MET  66  -0.276   1.992  -0.828
  486    H    MET  67           H        MET  67   3.093   5.183   2.509
  487    HA   MET  67           HA       MET  67   3.158   4.066   5.325
  488   1HB   MET  67          1HB       MET  67   5.375   4.841   3.323
  489   2HB   MET  67          2HB       MET  67   5.718   4.357   4.972
  490   1HG   MET  67          1HG       MET  67   4.057   2.482   3.201
  491   2HG   MET  67          2HG       MET  67   5.828   2.502   3.090
  492   1HE   MET  67          1HE       MET  67   3.207   0.782   4.022
  493   2HE   MET  67          2HE       MET  67   4.456  -0.457   4.354
  494   3HE   MET  67          3HE       MET  67   3.347   0.073   5.660
  495    H    GLU  68           H        GLU  68   4.442   7.055   3.753
  496    HA   GLU  68           HA       GLU  68   4.380   8.480   6.408
  497   1HB   GLU  68          1HB       GLU  68   6.966   7.916   4.929
  498   2HB   GLU  68          2HB       GLU  68   6.826   9.346   5.905
  499   1HG   GLU  68          1HG       GLU  68   6.615   6.424   6.911
  500   2HG   GLU  68          2HG       GLU  68   7.934   7.540   7.214
  501    H    GLY  69           H        GLY  69   2.804   8.818   4.093
  502   1HA   GLY  69          1HA       GLY  69   3.240  11.675   3.152
  503   2HA   GLY  69          2HA       GLY  69   1.736  10.758   3.007
  504    H    VAL  70           H        VAL  70   0.400  10.497   4.939
  505    HA   VAL  70           HA       VAL  70   0.443  13.055   6.646
  506    HB   VAL  70           HB       VAL  70  -1.545  12.297   4.489
  507   1HG1  VAL  70          1HG1      VAL  70  -2.320  13.959   6.994
  508   2HG1  VAL  70          2HG1      VAL  70  -3.285  13.853   5.499
  509   3HG1  VAL  70          3HG1      VAL  70  -3.046  12.413   6.491
  510   1HG2  VAL  70          1HG2      VAL  70   0.127  14.141   4.047
  511   2HG2  VAL  70          2HG2      VAL  70  -1.517  14.761   4.022
  512   3HG2  VAL  70          3HG2      VAL  70  -0.475  15.058   5.445
  513    H    GLN  71           H        GLN  71  -0.181  12.730   8.663
  514    HA   GLN  71           HA       GLN  71  -0.981  10.012   9.590
  515   1HB   GLN  71          1HB       GLN  71  -0.025  10.587  11.598
  516   2HB   GLN  71          2HB       GLN  71   0.810  11.717  10.534
  517   1HG   GLN  71          1HG       GLN  71  -1.764  12.495  12.061
  518   2HG   GLN  71          2HG       GLN  71  -0.192  12.636  12.825
  519   1HE2  GLN  71          1HE2      GLN  71   0.647  15.562  10.886
  520   2HE2  GLN  71          2HE2      GLN  71   1.346  14.105  11.783
  521   1HN   NH2  72          1HN       NH2  72  -2.961  12.471   8.447
  522   2HN   NH2  72          2HN       NH2  72  -4.418  12.152   9.424
   
  No H/Q in entry =         522
  Start of MODEL    7
    1   1H    ACE   1          1HH3      ACE   1  21.556  10.201   2.302
    2   2H    ACE   1          2HH3      ACE   1  23.125   9.447   2.761
    3   3H    ACE   1          3HH3      ACE   1  23.000  10.468   1.300
    4    H    LYS   2           H        LYS   2  21.360   7.591   2.652
    5    HA   LYS   2           HA       LYS   2  20.370   6.953  -0.112
    6   1HB   LYS   2          1HB       LYS   2  20.683   4.416   0.328
    7   2HB   LYS   2          2HB       LYS   2  22.043   5.315  -0.308
    8   1HG   LYS   2          1HG       LYS   2  23.250   5.147   1.838
    9   2HG   LYS   2          2HG       LYS   2  21.777   4.913   2.745
   10   1HD   LYS   2          1HD       LYS   2  21.844   2.648   0.986
   11   2HD   LYS   2          2HD       LYS   2  23.537   2.885   1.425
   12   1HE   LYS   2          1HE       LYS   2  21.167   2.573   3.386
   13   2HE   LYS   2          2HE       LYS   2  22.454   1.381   3.126
   14   1HZ   LYS   2          1HZ       LYS   2  23.930   3.660   3.835
   15   2HZ   LYS   2          2HZ       LYS   2  22.545   3.950   4.618
   16   3HZ   LYS   2          3HZ       LYS   2  23.321   2.646   5.003
   17    H    SER   3           H        SER   3  18.325   6.170  -0.120
   18    HA   SER   3           HA       SER   3  16.753   5.411   2.360
   19   1HB   SER   3          1HB       SER   3  17.431   8.084   1.912
   20   2HB   SER   3          2HB       SER   3  15.822   8.028   1.232
   21    HG   SER   3           HG       SER   3  15.293   8.290   3.248
   22    H    GLU   4           H        GLU   4  17.016   4.133  -0.264
   23    HA   GLU   4           HA       GLU   4  14.282   4.338  -1.431
   24   1HB   GLU   4          1HB       GLU   4  16.194   4.883  -3.629
   25   2HB   GLU   4          2HB       GLU   4  14.505   5.266  -3.398
   26   1HG   GLU   4          1HG       GLU   4  16.300   6.892  -1.608
   27   2HG   GLU   4          2HG       GLU   4  16.649   7.118  -3.317
   28    H    GLU   5           H        GLU   5  17.514   2.910  -1.771
   29    HA   GLU   5           HA       GLU   5  16.864   0.536  -3.144
   30   1HB   GLU   5          1HB       GLU   5  19.105   0.847  -2.839
   31   2HB   GLU   5          2HB       GLU   5  18.988   1.252  -1.154
   32   1HG   GLU   5          1HG       GLU   5  18.513  -1.314  -0.707
   33   2HG   GLU   5          2HG       GLU   5  18.968  -1.592  -2.378
   34    H    GLU   6           H        GLU   6  16.201   1.083   0.275
   35    HA   GLU   6           HA       GLU   6  15.364  -1.700   0.787
   36   1HB   GLU   6          1HB       GLU   6  15.332   0.792   2.521
   37   2HB   GLU   6          2HB       GLU   6  14.709  -0.724   3.101
   38   1HG   GLU   6          1HG       GLU   6  17.114  -1.732   2.567
   39   2HG   GLU   6          2HG       GLU   6  17.645  -0.071   2.380
   40    H    LEU   7           H        LEU   7  13.429   1.301   0.857
   41    HA   LEU   7           HA       LEU   7  10.711   0.091   0.980
   42   1HB   LEU   7          1HB       LEU   7  11.681   2.752  -0.196
   43   2HB   LEU   7          2HB       LEU   7   9.996   2.304  -0.076
   44    HG   LEU   7           HG       LEU   7  11.481   3.734   1.836
   45   1HD1  LEU   7          1HD1      LEU   7   9.028   3.881   1.445
   46   2HD1  LEU   7          2HD1      LEU   7   8.772   2.277   2.179
   47   3HD1  LEU   7          3HD1      LEU   7   9.362   3.640   3.166
   48   1HD2  LEU   7          1HD2      LEU   7  10.947   0.880   2.952
   49   2HD2  LEU   7          2HD2      LEU   7  12.530   1.692   2.806
   50   3HD2  LEU   7          3HD2      LEU   7  11.330   2.315   3.940
   51    H    ALA   8           H        ALA   8  12.988   0.640  -1.675
   52    HA   ALA   8           HA       ALA   8  11.302  -0.200  -3.871
   53   1HB   ALA   8          1HB       ALA   8  14.373  -0.344  -3.518
   54   2HB   ALA   8          2HB       ALA   8  13.515  -0.484  -5.065
   55   3HB   ALA   8          3HB       ALA   8  13.432   1.027  -4.151
   56    H    ASN   9           H        ASN   9  13.998  -2.366  -2.820
   57    HA   ASN   9           HA       ASN   9  12.983  -4.912  -3.334
   58   1HB   ASN   9          1HB       ASN   9  14.476  -3.969  -0.793
   59   2HB   ASN   9          2HB       ASN   9  14.173  -5.653  -1.121
   60   1HD2  ASN   9          1HD2      ASN   9  17.416  -5.441  -2.590
   61   2HD2  ASN   9          2HD2      ASN   9  16.453  -5.943  -1.130
   62    H    ALA  10           H        ALA  10  11.792  -2.880  -0.694
   63    HA   ALA  10           HA       ALA  10   9.895  -4.860   0.425
   64   1HB   ALA  10          1HB       ALA  10  10.934  -2.981   1.710
   65   2HB   ALA  10          2HB       ALA  10  10.026  -1.782   0.753
   66   3HB   ALA  10          3HB       ALA  10   9.164  -2.917   1.816
   67    H    PHE  11           H        PHE  11   9.405  -2.175  -1.895
   68    HA   PHE  11           HA       PHE  11   6.543  -2.573  -2.328
   69   1HB   PHE  11          1HB       PHE  11   7.823  -0.512  -2.920
   70   2HB   PHE  11          2HB       PHE  11   8.680  -1.362  -4.161
   71    HD1  PHE  11           HD1      PHE  11   5.295   0.025  -3.317
   72    HD2  PHE  11           HD2      PHE  11   7.724  -1.786  -6.371
   73    HE1  PHE  11           HE1      PHE  11   3.687   0.745  -5.039
   74    HE2  PHE  11           HE2      PHE  11   6.103  -1.064  -8.075
   75    HZ   PHE  11           HZ       PHE  11   4.115   0.237  -7.425
   76    H    ARG  12           H        ARG  12   9.297  -4.011  -4.136
   77    HA   ARG  12           HA       ARG  12   7.745  -5.855  -5.731
   78   1HB   ARG  12          1HB       ARG  12  10.058  -5.608  -6.250
   79   2HB   ARG  12          2HB       ARG  12  10.590  -5.986  -4.616
   80   1HG   ARG  12          1HG       ARG  12  11.118  -7.960  -5.855
   81   2HG   ARG  12          2HG       ARG  12   9.632  -8.410  -5.010
   82   1HD   ARG  12          1HD       ARG  12   8.362  -8.528  -6.966
   83   2HD   ARG  12          2HD       ARG  12   9.193  -7.142  -7.723
   84    HE   ARG  12           HE       ARG  12  10.571  -9.881  -7.444
   85   1HH1  ARG  12          2HH1      ARG  12   9.804  -7.118  -9.389
   86   2HH1  ARG  12          1HH1      ARG  12  10.757  -7.755 -10.814
   87   1HH2  ARG  12          1HH2      ARG  12  11.628 -10.576  -9.046
   88   2HH2  ARG  12          2HH2      ARG  12  11.740  -9.643 -10.609
   89    H    ILE  13           H        ILE  13   8.923  -6.354  -2.370
   90    HA   ILE  13           HA       ILE  13   8.321  -9.278  -2.367
   91    HB   ILE  13           HB       ILE  13   9.275  -7.336  -0.213
   92   1HG1  ILE  13          1HG1      ILE  13  10.830  -8.567  -2.094
   93   2HG1  ILE  13          2HG1      ILE  13  11.401  -8.167  -0.497
   94   1HG2  ILE  13          1HG2      ILE  13   7.797  -8.988   0.997
   95   2HG2  ILE  13          2HG2      ILE  13   8.665 -10.350   0.249
   96   3HG2  ILE  13          3HG2      ILE  13   9.476  -9.283   1.412
   97   1HD1  ILE  13          1HD1      ILE  13  10.947 -10.490   0.358
   98   2HD1  ILE  13          2HD1      ILE  13  10.416 -10.979  -1.270
   99   3HD1  ILE  13          3HD1      ILE  13  12.093 -10.463  -1.002
  100    H    PHE  14           H        PHE  14   6.653  -6.379  -1.316
  101    HA   PHE  14           HA       PHE  14   4.214  -7.402  -0.026
  102   1HB   PHE  14          1HB       PHE  14   4.809  -5.075  -1.941
  103   2HB   PHE  14          2HB       PHE  14   3.163  -5.472  -1.576
  104    HD1  PHE  14           HD1      PHE  14   5.688  -5.928   1.104
  105    HD2  PHE  14           HD2      PHE  14   2.769  -3.250  -0.556
  106    HE1  PHE  14           HE1      PHE  14   5.681  -4.631   3.198
  107    HE2  PHE  14           HE2      PHE  14   2.783  -1.944   1.532
  108    HZ   PHE  14           HZ       PHE  14   4.258  -2.608   3.400
  109    H    ASP  15           H        ASP  15   4.569  -6.688  -3.521
  110    HA   ASP  15           HA       ASP  15   1.890  -7.610  -4.020
  111   1HB   ASP  15          1HB       ASP  15   3.002  -5.790  -5.273
  112   2HB   ASP  15          2HB       ASP  15   4.153  -6.905  -5.993
  113    H    LYS  16           H        LYS  16   1.060  -9.271  -5.531
  114    HA   LYS  16           HA       LYS  16   1.917 -11.846  -4.268
  115   1HB   LYS  16          1HB       LYS  16  -0.416 -11.049  -6.072
  116   2HB   LYS  16          2HB       LYS  16  -0.027 -12.740  -5.916
  117   1HG   LYS  16          1HG       LYS  16  -1.096 -10.762  -3.812
  118   2HG   LYS  16          2HG       LYS  16  -1.805 -12.278  -4.353
  119   1HD   LYS  16          1HD       LYS  16   0.408 -11.816  -2.314
  120   2HD   LYS  16          2HD       LYS  16  -1.031 -12.829  -2.222
  121   1HE   LYS  16          1HE       LYS  16   0.887 -13.802  -4.298
  122   2HE   LYS  16          2HE       LYS  16   1.541 -13.858  -2.649
  123   1HZ   LYS  16          1HZ       LYS  16  -1.091 -14.764  -2.280
  124   2HZ   LYS  16          2HZ       LYS  16  -0.716 -15.408  -3.755
  125   3HZ   LYS  16          3HZ       LYS  16   0.219 -15.739  -2.465
  126    H    ASN  17           H        ASN  17   2.130 -10.281  -7.409
  127    HA   ASN  17           HA       ASN  17   3.710 -12.638  -8.548
  128   1HB   ASN  17          1HB       ASN  17   2.437 -11.932 -10.776
  129   2HB   ASN  17          2HB       ASN  17   1.720 -13.013  -9.610
  130   1HD2  ASN  17          1HD2      ASN  17  -0.291  -9.755 -10.637
  131   2HD2  ASN  17          2HD2      ASN  17   1.400  -9.949 -11.207
  132    H    ALA  18           H        ALA  18   3.054  -9.137  -9.227
  133    HA   ALA  18           HA       ALA  18   4.751  -7.392  -9.015
  134   1HB   ALA  18          1HB       ALA  18   6.006  -9.038  -7.573
  135   2HB   ALA  18          2HB       ALA  18   6.712  -9.770  -9.031
  136   3HB   ALA  18          3HB       ALA  18   7.115  -8.097  -8.609
  137    H    ASP  19           H        ASP  19   3.665  -7.456 -11.374
  138    HA   ASP  19           HA       ASP  19   5.690  -7.164 -13.568
  139   1HB   ASP  19          1HB       ASP  19   2.822  -6.176 -13.116
  140   2HB   ASP  19          2HB       ASP  19   3.774  -5.531 -14.446
  141    H    GLY  20           H        GLY  20   5.070  -5.472 -10.653
  142   1HA   GLY  20          1HA       GLY  20   6.677  -3.586  -9.886
  143   2HA   GLY  20          2HA       GLY  20   6.665  -3.025 -11.565
  144    H    TYR  21           H        TYR  21   3.501  -3.899 -10.744
  145    HA   TYR  21           HA       TYR  21   2.803  -1.162  -9.530
  146   1HB   TYR  21          1HB       TYR  21   0.938  -3.178 -10.936
  147   2HB   TYR  21          2HB       TYR  21   0.447  -1.652 -10.261
  148    HD1  TYR  21           HD1      TYR  21   3.705  -1.590 -11.973
  149    HD2  TYR  21           HD2      TYR  21  -0.532  -1.080 -12.513
  150    HE1  TYR  21           HE1      TYR  21   4.101  -0.550 -14.171
  151    HE2  TYR  21           HE2      TYR  21  -0.106  -0.075 -14.733
  152    HH   TYR  21           HH       TYR  21   1.881   1.151 -15.862
  153    H    ILE  22           H        ILE  22   1.212  -1.062  -7.821
  154    HA   ILE  22           HA       ILE  22   0.479  -3.692  -6.411
  155    HB   ILE  22           HB       ILE  22   0.767  -0.886  -5.213
  156   1HG1  ILE  22          1HG1      ILE  22   2.287  -3.475  -4.461
  157   2HG1  ILE  22          2HG1      ILE  22   2.935  -2.233  -5.498
  158   1HG2  ILE  22          1HG2      ILE  22  -1.226  -2.037  -4.149
  159   2HG2  ILE  22          2HG2      ILE  22  -0.228  -3.452  -3.764
  160   3HG2  ILE  22          3HG2      ILE  22   0.077  -1.879  -2.984
  161   1HD1  ILE  22          1HD1      ILE  22   2.754  -0.507  -3.633
  162   2HD1  ILE  22          2HD1      ILE  22   2.286  -1.821  -2.523
  163   3HD1  ILE  22          3HD1      ILE  22   3.880  -1.847  -3.305
  164    H    ASP  23           H        ASP  23  -1.545  -4.300  -6.414
  165    HA   ASP  23           HA       ASP  23  -3.667  -2.450  -7.598
  166   1HB   ASP  23          1HB       ASP  23  -4.752  -4.823  -8.147
  167   2HB   ASP  23          2HB       ASP  23  -3.418  -4.211  -9.114
  168    H    ILE  24           H        ILE  24  -5.919  -2.823  -7.004
  169    HA   ILE  24           HA       ILE  24  -6.413  -2.866  -4.041
  170    HB   ILE  24           HB       ILE  24  -7.713  -1.495  -5.869
  171   1HG1  ILE  24          1HG1      ILE  24  -8.800  -2.669  -3.289
  172   2HG1  ILE  24          2HG1      ILE  24  -8.503  -1.006  -3.717
  173   1HG2  ILE  24          1HG2      ILE  24  -8.534  -3.438  -7.278
  174   2HG2  ILE  24          2HG2      ILE  24  -9.443  -4.075  -5.894
  175   3HG2  ILE  24          3HG2      ILE  24  -9.893  -2.524  -6.648
  176   1HD1  ILE  24          1HD1      ILE  24 -10.548  -0.978  -5.234
  177   2HD1  ILE  24          2HD1      ILE  24 -10.965  -2.600  -4.630
  178   3HD1  ILE  24          3HD1      ILE  24 -10.906  -1.227  -3.505
  179    H    GLU  25           H        GLU  25  -6.025  -5.363  -6.335
  180    HA   GLU  25           HA       GLU  25  -7.451  -7.427  -4.692
  181   1HB   GLU  25          1HB       GLU  25  -5.312  -8.207  -6.664
  182   2HB   GLU  25          2HB       GLU  25  -6.773  -9.040  -6.228
  183   1HG   GLU  25          1HG       GLU  25  -7.992  -6.949  -7.491
  184   2HG   GLU  25          2HG       GLU  25  -6.421  -6.752  -8.245
  185    H    GLU  26           H        GLU  26  -4.186  -6.135  -4.812
  186    HA   GLU  26           HA       GLU  26  -2.964  -8.378  -3.230
  187   1HB   GLU  26          1HB       GLU  26  -0.880  -7.538  -3.719
  188   2HB   GLU  26          2HB       GLU  26  -1.804  -7.181  -5.147
  189   1HG   GLU  26          1HG       GLU  26  -0.647  -5.148  -4.941
  190   2HG   GLU  26          2HG       GLU  26  -2.054  -4.709  -3.990
  191    H    LEU  27           H        LEU  27  -3.771  -4.995  -2.575
  192    HA   LEU  27           HA       LEU  27  -2.487  -4.406  -0.078
  193   1HB   LEU  27          1HB       LEU  27  -3.787  -2.779  -1.374
  194   2HB   LEU  27          2HB       LEU  27  -5.282  -3.627  -1.078
  195    HG   LEU  27           HG       LEU  27  -3.786  -2.648   1.385
  196   1HD1  LEU  27          1HD1      LEU  27  -3.563  -0.727  -0.195
  197   2HD1  LEU  27          2HD1      LEU  27  -5.326  -0.713  -0.483
  198   3HD1  LEU  27          3HD1      LEU  27  -4.656  -0.343   1.133
  199   1HD2  LEU  27          1HD2      LEU  27  -6.802  -2.620   0.624
  200   2HD2  LEU  27          2HD2      LEU  27  -5.991  -3.827   1.666
  201   3HD2  LEU  27          3HD2      LEU  27  -6.100  -2.144   2.195
  202    H    GLY  28           H        GLY  28  -5.788  -5.795  -0.275
  203   1HA   GLY  28          1HA       GLY  28  -6.121  -6.349   2.530
  204   2HA   GLY  28          2HA       GLY  28  -7.049  -7.163   1.265
  205    H    GLU  29           H        GLU  29  -4.628  -8.439   0.120
  206    HA   GLU  29           HA       GLU  29  -4.308 -10.887   1.787
  207   1HB   GLU  29          1HB       GLU  29  -4.008 -10.430  -0.850
  208   2HB   GLU  29          2HB       GLU  29  -2.341 -10.224  -0.406
  209   1HG   GLU  29          1HG       GLU  29  -2.324 -12.519  -0.924
  210   2HG   GLU  29          2HG       GLU  29  -2.659 -12.657   0.792
  211    H    ILE  30           H        ILE  30  -2.382  -7.944   1.386
  212    HA   ILE  30           HA       ILE  30   0.010  -8.814   2.965
  213    HB   ILE  30           HB       ILE  30  -0.994  -6.035   2.167
  214   1HG1  ILE  30          1HG1      ILE  30   0.009  -7.387   0.273
  215   2HG1  ILE  30          2HG1      ILE  30   0.873  -5.911   0.612
  216   1HG2  ILE  30          1HG2      ILE  30   0.256  -5.811   4.345
  217   2HG2  ILE  30          2HG2      ILE  30   1.645  -6.694   3.661
  218   3HG2  ILE  30          3HG2      ILE  30   1.178  -5.089   3.031
  219   1HD1  ILE  30          1HD1      ILE  30   1.918  -8.671   1.536
  220   2HD1  ILE  30          2HD1      ILE  30   2.488  -7.704   0.160
  221   3HD1  ILE  30          3HD1      ILE  30   2.699  -7.092   1.812
  222    H    LEU  31           H        LEU  31  -2.807  -6.740   3.739
  223    HA   LEU  31           HA       LEU  31  -2.058  -6.334   6.597
  224   1HB   LEU  31          1HB       LEU  31  -4.921  -5.953   5.734
  225   2HB   LEU  31          2HB       LEU  31  -3.941  -4.972   6.796
  226    HG   LEU  31           HG       LEU  31  -4.232  -4.830   3.797
  227   1HD1  LEU  31          1HD1      LEU  31  -3.863  -2.735   6.043
  228   2HD1  LEU  31          2HD1      LEU  31  -4.114  -2.364   4.316
  229   3HD1  LEU  31          3HD1      LEU  31  -5.380  -3.199   5.223
  230   1HD2  LEU  31          1HD2      LEU  31  -1.598  -4.019   5.223
  231   2HD2  LEU  31          2HD2      LEU  31  -1.775  -5.200   3.895
  232   3HD2  LEU  31          3HD2      LEU  31  -2.077  -3.486   3.590
  233    H    ARG  32           H        ARG  32  -4.316  -8.552   4.999
  234    HA   ARG  32           HA       ARG  32  -5.390  -9.651   7.545
  235   1HB   ARG  32          1HB       ARG  32  -6.463  -9.175   5.207
  236   2HB   ARG  32          2HB       ARG  32  -5.787 -10.715   4.682
  237   1HG   ARG  32          1HG       ARG  32  -7.302 -10.888   7.282
  238   2HG   ARG  32          2HG       ARG  32  -8.277 -10.241   5.950
  239   1HD   ARG  32          1HD       ARG  32  -6.647 -12.602   5.081
  240   2HD   ARG  32          2HD       ARG  32  -7.717 -13.008   6.442
  241    HE   ARG  32           HE       ARG  32  -8.933 -11.460   4.105
  242   1HH1  ARG  32          2HH1      ARG  32  -8.765 -14.470   5.832
  243   2HH1  ARG  32          1HH1      ARG  32 -10.333 -15.061   5.104
  244   1HH2  ARG  32          1HH2      ARG  32 -10.663 -12.185   3.259
  245   2HH2  ARG  32          2HH2      ARG  32 -11.330 -13.821   3.708
  246    H    ALA  33           H        ALA  33  -3.231 -11.108   5.012
  247    HA   ALA  33           HA       ALA  33  -2.282 -13.435   6.136
  248   1HB   ALA  33          1HB       ALA  33  -1.344 -12.352   4.099
  249   2HB   ALA  33          2HB       ALA  33  -0.493 -11.139   5.094
  250   3HB   ALA  33          3HB       ALA  33  -0.038 -12.854   5.186
  251    H    THR  34           H        THR  34  -1.681 -14.136   8.135
  252    HA   THR  34           HA       THR  34  -0.316 -12.520  10.173
  253    HB   THR  34           HB       THR  34  -0.167 -14.463  11.493
  254    HG1  THR  34           HG1      THR  34   0.822 -16.016  10.488
  255   1HG2  THR  34          2HG2      THR  34  -2.585 -13.921  10.769
  256   2HG2  THR  34          3HG2      THR  34  -2.444 -15.178   9.511
  257   3HG2  THR  34          1HG2      THR  34  -2.354 -15.630  11.222
  258    H    GLY  35           H        GLY  35   0.937 -14.309   7.382
  259   1HA   GLY  35          1HA       GLY  35   3.766 -13.443   7.993
  260   2HA   GLY  35          2HA       GLY  35   3.239 -14.322   6.552
  261   1HN   NH2  36          1HN       NH2  36   2.657 -13.206   4.613
  262   2HN   NH2  36          2HN       NH2  36   2.872 -11.445   4.425
  263   1H    ACE  37          1HH3      ACE  37 -10.275  -2.877  14.319
  264   2H    ACE  37          2HH3      ACE  37  -8.880  -1.812  14.703
  265   3H    ACE  37          3HH3      ACE  37 -10.508  -1.117  14.492
  266    H    VAL  38           H        VAL  38  -8.021  -2.956  12.737
  267    HA   VAL  38           HA       VAL  38  -8.659  -1.601  10.075
  268    HB   VAL  38           HB       VAL  38  -6.822  -3.305   9.249
  269   1HG1  VAL  38          1HG1      VAL  38  -6.108  -0.825  10.980
  270   2HG1  VAL  38          2HG1      VAL  38  -4.971  -1.635   9.878
  271   3HG1  VAL  38          3HG1      VAL  38  -6.413  -0.845   9.233
  272   1HG2  VAL  38          1HG2      VAL  38  -6.552  -4.630  11.391
  273   2HG2  VAL  38          2HG2      VAL  38  -5.038  -3.800  10.970
  274   3HG2  VAL  38          3HG2      VAL  38  -6.085  -3.148  12.255
  275    H    THR  39           H        THR  39 -10.550  -2.303   9.347
  276    HA   THR  39           HA       THR  39 -10.486  -5.143   8.279
  277    HB   THR  39           HB       THR  39 -12.740  -5.699   8.589
  278    HG1  THR  39           HG1      THR  39 -13.144  -2.946   9.066
  279   1HG2  THR  39          2HG2      THR  39 -12.006  -4.054  11.113
  280   2HG2  THR  39          3HG2      THR  39 -13.255  -5.320  11.036
  281   3HG2  THR  39          1HG2      THR  39 -11.547  -5.745  10.798
  282    H    GLU  40           H        GLU  40 -12.956  -4.597   6.707
  283    HA   GLU  40           HA       GLU  40 -11.470  -3.598   4.306
  284   1HB   GLU  40          1HB       GLU  40 -14.418  -4.266   4.240
  285   2HB   GLU  40          2HB       GLU  40 -13.239  -4.389   2.971
  286   1HG   GLU  40          1HG       GLU  40 -13.719  -6.337   5.303
  287   2HG   GLU  40          2HG       GLU  40 -13.730  -6.679   3.583
  288    H    GLU  41           H        GLU  41 -14.045  -2.306   6.356
  289    HA   GLU  41           HA       GLU  41 -14.737  -0.013   4.786
  290   1HB   GLU  41          1HB       GLU  41 -15.662  -1.132   7.099
  291   2HB   GLU  41          2HB       GLU  41 -14.953   0.308   7.764
  292   1HG   GLU  41          1HG       GLU  41 -16.534   1.767   6.675
  293   2HG   GLU  41          2HG       GLU  41 -16.891   0.625   5.393
  294    H    ASP  42           H        ASP  42 -12.226  -0.135   7.292
  295    HA   ASP  42           HA       ASP  42 -11.262   2.689   6.899
  296   1HB   ASP  42          1HB       ASP  42 -10.251   0.245   8.450
  297   2HB   ASP  42          2HB       ASP  42  -9.199   1.635   8.221
  298    H    ILE  43           H        ILE  43 -10.225  -0.527   5.731
  299    HA   ILE  43           HA       ILE  43  -8.177   0.273   3.862
  300    HB   ILE  43           HB       ILE  43 -10.154  -2.026   3.791
  301   1HG1  ILE  43          1HG1      ILE  43  -8.311  -2.617   5.181
  302   2HG1  ILE  43          2HG1      ILE  43  -7.951  -3.395   3.663
  303   1HG2  ILE  43          1HG2      ILE  43  -9.950  -1.409   1.350
  304   2HG2  ILE  43          2HG2      ILE  43  -8.179  -1.423   1.467
  305   3HG2  ILE  43          3HG2      ILE  43  -9.117  -2.927   1.649
  306   1HD1  ILE  43          1HD1      ILE  43  -6.344  -1.552   3.010
  307   2HD1  ILE  43          2HD1      ILE  43  -6.573  -0.811   4.616
  308   3HD1  ILE  43          3HD1      ILE  43  -5.874  -2.439   4.478
  309    H    GLU  44           H        GLU  44 -11.705   0.412   3.384
  310    HA   GLU  44           HA       GLU  44 -11.539   1.254   0.512
  311   1HB   GLU  44          1HB       GLU  44 -13.687   0.470   2.388
  312   2HB   GLU  44          2HB       GLU  44 -14.167   1.776   1.347
  313   1HG   GLU  44          1HG       GLU  44 -12.865  -0.509  -0.148
  314   2HG   GLU  44          2HG       GLU  44 -14.330  -0.964   0.703
  315    H    ASP  45           H        ASP  45 -11.841   2.903   3.584
  316    HA   ASP  45           HA       ASP  45 -12.318   5.674   2.569
  317   1HB   ASP  45          1HB       ASP  45 -11.385   4.448   5.216
  318   2HB   ASP  45          2HB       ASP  45 -11.221   6.180   4.962
  319    H    LEU  46           H        LEU  46  -9.347   3.926   3.530
  320    HA   LEU  46           HA       LEU  46  -7.456   5.944   2.456
  321   1HB   LEU  46          1HB       LEU  46  -6.931   4.269   4.223
  322   2HB   LEU  46          2HB       LEU  46  -7.047   2.957   3.074
  323    HG   LEU  46           HG       LEU  46  -4.657   3.758   3.746
  324   1HD1  LEU  46          1HD1      LEU  46  -5.543   2.400   1.553
  325   2HD1  LEU  46          2HD1      LEU  46  -4.782   3.789   0.724
  326   3HD1  LEU  46          3HD1      LEU  46  -3.840   2.773   1.852
  327   1HD2  LEU  46          1HD2      LEU  46  -5.296   6.291   3.237
  328   2HD2  LEU  46          2HD2      LEU  46  -3.690   5.689   2.819
  329   3HD2  LEU  46          3HD2      LEU  46  -4.923   5.874   1.537
  330    H    MET  47           H        MET  47  -8.296   2.781   0.990
  331    HA   MET  47           HA       MET  47  -7.187   3.632  -1.652
  332   1HB   MET  47          1HB       MET  47  -7.751   1.143  -0.327
  333   2HB   MET  47          2HB       MET  47  -8.744   1.148  -1.774
  334   1HG   MET  47          1HG       MET  47  -5.746   1.819  -1.974
  335   2HG   MET  47          2HG       MET  47  -6.350   0.153  -2.016
  336   1HE   MET  47          1HE       MET  47  -4.710   1.979  -4.154
  337   2HE   MET  47          2HE       MET  47  -4.990   0.234  -4.425
  338   3HE   MET  47          3HE       MET  47  -5.401   1.404  -5.712
  339    H    LYS  48           H        LYS  48  -9.950   4.791  -0.444
  340    HA   LYS  48           HA       LYS  48 -10.831   5.248  -3.344
  341   1HB   LYS  48          1HB       LYS  48 -13.014   5.440  -2.701
  342   2HB   LYS  48          2HB       LYS  48 -12.502   4.230  -1.566
  343   1HG   LYS  48          1HG       LYS  48 -12.140   6.372   0.098
  344   2HG   LYS  48          2HG       LYS  48 -13.081   7.227  -1.083
  345   1HD   LYS  48          1HD       LYS  48 -14.380   4.658  -0.277
  346   2HD   LYS  48          2HD       LYS  48 -14.199   5.729   1.072
  347   1HE   LYS  48          1HE       LYS  48 -15.289   7.510  -0.837
  348   2HE   LYS  48          2HE       LYS  48 -15.936   5.987  -1.420
  349   1HZ   LYS  48          1HZ       LYS  48 -16.600   5.601   1.148
  350   2HZ   LYS  48          2HZ       LYS  48 -16.560   7.256   1.218
  351   3HZ   LYS  48          3HZ       LYS  48 -17.536   6.447   0.190
  352    H    ASP  49           H        ASP  49  -9.770   6.717  -0.346
  353    HA   ASP  49           HA       ASP  49 -10.038   9.590  -1.246
  354   1HB   ASP  49          1HB       ASP  49 -10.158   8.918   1.195
  355   2HB   ASP  49          2HB       ASP  49  -8.468   8.437   1.149
  356    H    SER  50           H        SER  50  -7.428   7.194  -1.072
  357    HA   SER  50           HA       SER  50  -5.465   8.810  -2.707
  358   1HB   SER  50          1HB       SER  50  -5.553   5.848  -1.843
  359   2HB   SER  50          2HB       SER  50  -4.300   6.481  -2.906
  360    HG   SER  50           HG       SER  50  -4.846   7.897  -0.536
  361    H    ASP  51           H        ASP  51  -7.821   6.197  -3.246
  362    HA   ASP  51           HA       ASP  51  -7.043   5.750  -6.054
  363   1HB   ASP  51          1HB       ASP  51  -7.859   4.003  -4.368
  364   2HB   ASP  51          2HB       ASP  51  -9.492   4.629  -4.546
  365    H    LYS  52           H        LYS  52  -8.435   8.450  -5.237
  366    HA   LYS  52           HA       LYS  52 -11.244   8.495  -6.209
  367   1HB   LYS  52          1HB       LYS  52 -11.201  10.754  -5.720
  368   2HB   LYS  52          2HB       LYS  52 -10.072  10.127  -4.558
  369   1HG   LYS  52          1HG       LYS  52  -8.403  10.876  -6.799
  370   2HG   LYS  52          2HG       LYS  52  -9.680  12.049  -6.849
  371   1HD   LYS  52          1HD       LYS  52  -9.124  12.141  -4.130
  372   2HD   LYS  52          2HD       LYS  52  -7.532  11.779  -4.710
  373   1HE   LYS  52          1HE       LYS  52  -7.245  13.964  -5.574
  374   2HE   LYS  52          2HE       LYS  52  -8.841  13.967  -6.323
  375   1HZ   LYS  52          1HZ       LYS  52  -8.860  14.074  -3.342
  376   2HZ   LYS  52          2HZ       LYS  52  -8.292  15.398  -4.001
  377   3HZ   LYS  52          3HZ       LYS  52  -9.828  14.897  -4.366
  378    H    ASN  53           H        ASN  53  -8.122   8.737  -7.756
  379    HA   ASN  53           HA       ASN  53  -8.937  10.219 -10.127
  380   1HB   ASN  53          1HB       ASN  53  -6.564   9.396 -10.983
  381   2HB   ASN  53          2HB       ASN  53  -6.651  10.447  -9.597
  382   1HD2  ASN  53          1HD2      ASN  53  -4.514   8.128  -8.008
  383   2HD2  ASN  53          2HD2      ASN  53  -4.797   9.829  -8.594
  384    H    ASN  54           H        ASN  54 -10.042   7.245  -9.544
  385    HA   ASN  54           HA       ASN  54 -11.514   5.963 -10.947
  386   1HB   ASN  54          1HB       ASN  54 -10.576   8.104 -12.954
  387   2HB   ASN  54          2HB       ASN  54 -11.431   6.705 -13.545
  388   1HD2  ASN  54          1HD2      ASN  54 -14.466   7.820 -11.700
  389   2HD2  ASN  54          2HD2      ASN  54 -13.484   6.294 -11.841
  390    H    ASP  55           H        ASP  55 -11.169   3.949 -11.636
  391    HA   ASP  55           HA       ASP  55  -9.231   2.438 -10.606
  392   1HB   ASP  55          1HB       ASP  55 -10.852   1.817 -12.661
  393   2HB   ASP  55          2HB       ASP  55  -9.379   1.905 -13.617
  394    H    GLY  56           H        GLY  56  -7.820   4.487 -10.312
  395   1HA   GLY  56          1HA       GLY  56  -5.279   4.440 -12.007
  396   2HA   GLY  56          2HA       GLY  56  -5.611   5.628 -10.740
  397    H    ARG  57           H        ARG  57  -5.971   2.098 -10.307
  398    HA   ARG  57           HA       ARG  57  -4.384   0.933  -8.583
  399   1HB   ARG  57          1HB       ARG  57  -3.021  -0.310 -10.426
  400   2HB   ARG  57          2HB       ARG  57  -4.781  -0.410 -10.469
  401   1HG   ARG  57          1HG       ARG  57  -4.943   0.822 -12.466
  402   2HG   ARG  57          2HG       ARG  57  -3.612   1.899 -12.052
  403   1HD   ARG  57          1HD       ARG  57  -1.944   0.398 -12.916
  404   2HD   ARG  57          2HD       ARG  57  -2.942  -1.026 -12.630
  405    HE   ARG  57           HE       ARG  57  -4.225  -0.709 -14.646
  406   1HH1  ARG  57          2HH1      ARG  57  -2.382   2.179 -14.126
  407   2HH1  ARG  57          1HH1      ARG  57  -2.885   2.853 -15.763
  408   1HH2  ARG  57          1HH2      ARG  57  -4.744   0.049 -16.411
  409   2HH2  ARG  57          2HH2      ARG  57  -4.173   1.689 -17.000
  410    H    ILE  58           H        ILE  58  -2.251   0.586  -7.845
  411    HA   ILE  58           HA       ILE  58  -1.058   3.360  -7.491
  412    HB   ILE  58           HB       ILE  58  -1.138   0.914  -5.660
  413   1HG1  ILE  58          1HG1      ILE  58  -2.311   3.761  -5.357
  414   2HG1  ILE  58          2HG1      ILE  58  -3.216   2.304  -5.659
  415   1HG2  ILE  58          1HG2      ILE  58   1.136   1.988  -5.355
  416   2HG2  ILE  58          2HG2      ILE  58   0.373   3.564  -5.070
  417   3HG2  ILE  58          3HG2      ILE  58   0.143   2.226  -3.921
  418   1HD1  ILE  58          1HD1      ILE  58  -2.540   1.325  -3.420
  419   2HD1  ILE  58          2HD1      ILE  58  -1.719   2.858  -3.027
  420   3HD1  ILE  58          3HD1      ILE  58  -3.476   2.836  -3.299
  421    H    ASP  59           H        ASP  59   0.901   3.847  -8.240
  422    HA   ASP  59           HA       ASP  59   3.004   1.687  -8.650
  423   1HB   ASP  59          1HB       ASP  59   4.101   3.359 -10.149
  424   2HB   ASP  59          2HB       ASP  59   2.428   3.071 -10.605
  425    H    PHE  60           H        PHE  60   5.351   2.817  -8.469
  426    HA   PHE  60           HA       PHE  60   6.057   2.474  -5.685
  427   1HB   PHE  60          1HB       PHE  60   7.547   2.338  -7.823
  428   2HB   PHE  60          2HB       PHE  60   7.741   4.055  -7.714
  429    HD1  PHE  60           HD1      PHE  60   7.620   2.786  -4.337
  430    HD2  PHE  60           HD2      PHE  60  10.223   3.138  -7.736
  431    HE1  PHE  60           HE1      PHE  60   9.589   2.552  -2.868
  432    HE2  PHE  60           HE2      PHE  60  12.175   2.955  -6.264
  433    HZ   PHE  60           HZ       PHE  60  11.868   2.575  -3.835
  434    H    ASP  61           H        ASP  61   5.332   5.474  -7.382
  435    HA   ASP  61           HA       ASP  61   6.087   7.519  -5.380
  436   1HB   ASP  61          1HB       ASP  61   5.457   8.478  -7.457
  437   2HB   ASP  61          2HB       ASP  61   4.224   7.274  -7.784
  438    H    GLU  62           H        GLU  62   2.810   6.804  -6.226
  439    HA   GLU  62           HA       GLU  62   1.166   7.229  -3.955
  440   1HB   GLU  62          1HB       GLU  62   0.828   4.699  -5.603
  441   2HB   GLU  62          2HB       GLU  62  -0.402   5.623  -4.794
  442   1HG   GLU  62          1HG       GLU  62   0.465   7.570  -6.580
  443   2HG   GLU  62          2HG       GLU  62   0.915   6.142  -7.495
  444    H    PHE  63           H        PHE  63   3.531   4.624  -4.171
  445    HA   PHE  63           HA       PHE  63   2.648   3.095  -1.725
  446   1HB   PHE  63          1HB       PHE  63   4.207   2.255  -3.642
  447   2HB   PHE  63          2HB       PHE  63   5.473   3.203  -2.933
  448    HD1  PHE  63           HD1      PHE  63   3.030   1.193  -0.819
  449    HD2  PHE  63           HD2      PHE  63   6.964   1.334  -2.558
  450    HE1  PHE  63           HE1      PHE  63   3.845  -0.433   0.847
  451    HE2  PHE  63           HE2      PHE  63   7.746  -0.291  -0.910
  452    HZ   PHE  63           HZ       PHE  63   6.215  -1.136   0.835
  453    H    LEU  64           H        LEU  64   5.493   5.198  -2.246
  454    HA   LEU  64           HA       LEU  64   6.305   5.675   0.443
  455   1HB   LEU  64          1HB       LEU  64   6.446   7.500  -2.005
  456   2HB   LEU  64          2HB       LEU  64   7.136   8.001  -0.482
  457    HG   LEU  64           HG       LEU  64   7.963   5.390  -1.887
  458   1HD1  LEU  64          1HD1      LEU  64   9.208   8.216  -2.137
  459   2HD1  LEU  64          2HD1      LEU  64   9.987   6.708  -2.687
  460   3HD1  LEU  64          3HD1      LEU  64   8.465   7.222  -3.420
  461   1HD2  LEU  64          1HD2      LEU  64   9.321   7.044   0.366
  462   2HD2  LEU  64          2HD2      LEU  64   8.632   5.401   0.507
  463   3HD2  LEU  64          3HD2      LEU  64  10.074   5.670  -0.481
  464    H    LYS  65           H        LYS  65   3.638   7.346  -1.200
  465    HA   LYS  65           HA       LYS  65   2.952   9.030   1.192
  466   1HB   LYS  65          1HB       LYS  65   1.929   8.479  -1.626
  467   2HB   LYS  65          2HB       LYS  65   0.909   9.414  -0.550
  468   1HG   LYS  65          1HG       LYS  65   2.412  11.296  -0.630
  469   2HG   LYS  65          2HG       LYS  65   3.823  10.278  -0.975
  470   1HD   LYS  65          1HD       LYS  65   3.474  11.114  -3.104
  471   2HD   LYS  65          2HD       LYS  65   2.537   9.622  -3.236
  472   1HE   LYS  65          1HE       LYS  65   1.639  12.093  -4.065
  473   2HE   LYS  65          2HE       LYS  65   0.539  10.814  -3.517
  474   1HZ   LYS  65          1HZ       LYS  65   1.694  12.793  -1.502
  475   2HZ   LYS  65          2HZ       LYS  65   0.302  13.092  -2.295
  476   3HZ   LYS  65          3HZ       LYS  65   0.374  11.823  -1.310
  477    H    MET  66           H        MET  66   1.166   6.336  -0.461
  478    HA   MET  66           HA       MET  66  -0.669   5.552   1.473
  479   1HB   MET  66          1HB       MET  66  -0.225   4.428  -0.759
  480   2HB   MET  66          2HB       MET  66   1.149   3.599  -0.057
  481   1HG   MET  66          1HG       MET  66  -1.264   3.090   1.594
  482   2HG   MET  66          2HG       MET  66  -1.514   2.608  -0.095
  483   1HE   MET  66          1HE       MET  66  -1.205   0.306  -0.680
  484   2HE   MET  66          2HE       MET  66   0.180   1.106  -1.486
  485   3HE   MET  66          3HE       MET  66   0.411  -0.462  -0.657
  486    H    MET  67           H        MET  67   2.736   5.429   2.025
  487    HA   MET  67           HA       MET  67   2.526   3.559   4.460
  488   1HB   MET  67          1HB       MET  67   4.478   3.440   2.584
  489   2HB   MET  67          2HB       MET  67   5.149   4.782   3.488
  490   1HG   MET  67          1HG       MET  67   4.963   3.295   5.643
  491   2HG   MET  67          2HG       MET  67   4.688   1.930   4.543
  492   1HE   MET  67          1HE       MET  67   6.002   1.026   2.990
  493   2HE   MET  67          2HE       MET  67   7.749   1.252   2.674
  494   3HE   MET  67          3HE       MET  67   7.207   0.445   4.181
  495    H    GLU  68           H        GLU  68   4.217   6.626   3.647
  496    HA   GLU  68           HA       GLU  68   4.449   7.627   6.290
  497   1HB   GLU  68          1HB       GLU  68   5.461   8.399   3.969
  498   2HB   GLU  68          2HB       GLU  68   4.193   9.586   3.985
  499   1HG   GLU  68          1HG       GLU  68   5.094  10.512   6.204
  500   2HG   GLU  68          2HG       GLU  68   6.377   9.316   6.178
  501    H    GLY  69           H        GLY  69   1.582   7.887   4.305
  502   1HA   GLY  69          1HA       GLY  69  -0.645   8.737   4.749
  503   2HA   GLY  69          2HA       GLY  69  -0.198   8.607   6.454
  504    H    VAL  70           H        VAL  70  -1.956  10.613   5.727
  505    HA   VAL  70           HA       VAL  70  -0.257  12.920   6.845
  506    HB   VAL  70           HB       VAL  70  -2.929  12.937   5.365
  507   1HG1  VAL  70          1HG1      VAL  70  -1.725  15.298   6.980
  508   2HG1  VAL  70          2HG1      VAL  70  -3.075  15.434   5.825
  509   3HG1  VAL  70          3HG1      VAL  70  -3.277  14.487   7.301
  510   1HG2  VAL  70          1HG2      VAL  70  -0.845  13.126   3.945
  511   2HG2  VAL  70          2HG2      VAL  70  -1.792  14.605   3.877
  512   3HG2  VAL  70          3HG2      VAL  70  -0.309  14.542   4.875
  513    H    GLN  71           H        GLN  71  -0.118  12.533   8.963
  514    HA   GLN  71           HA       GLN  71  -2.288  11.274  10.612
  515   1HB   GLN  71          1HB       GLN  71   0.379  12.445  11.575
  516   2HB   GLN  71          2HB       GLN  71  -0.667  11.323  12.442
  517   1HG   GLN  71          1HG       GLN  71  -0.287   9.709  10.344
  518   2HG   GLN  71          2HG       GLN  71   1.044  10.767   9.914
  519   1HE2  GLN  71          1HE2      GLN  71   1.522   8.069  12.896
  520   2HE2  GLN  71          2HE2      GLN  71  -0.133   8.399  12.141
  521   1HN   NH2  72          1HN       NH2  72  -3.590  12.252  12.256
  522   2HN   NH2  72          2HN       NH2  72  -3.734  14.019  12.460
   
  No H/Q in entry =         522
  Start of MODEL    8
    1   1H    ACE   1          1HH3      ACE   1  20.369   5.593   4.484
    2   2H    ACE   1          2HH3      ACE   1  20.661   7.330   4.855
    3   3H    ACE   1          3HH3      ACE   1  19.438   6.399   5.766
    4    H    LYS   2           H        LYS   2  20.196   7.357   2.410
    5    HA   LYS   2           HA       LYS   2  17.695   8.179   1.305
    6   1HB   LYS   2          1HB       LYS   2  18.576   6.393  -0.636
    7   2HB   LYS   2          2HB       LYS   2  19.001   8.089  -0.553
    8   1HG   LYS   2          1HG       LYS   2  21.208   7.547   0.452
    9   2HG   LYS   2          2HG       LYS   2  20.668   5.973   0.977
   10   1HD   LYS   2          1HD       LYS   2  20.997   4.974  -1.147
   11   2HD   LYS   2          2HD       LYS   2  20.647   6.454  -2.043
   12   1HE   LYS   2          1HE       LYS   2  23.140   5.652  -1.973
   13   2HE   LYS   2          2HE       LYS   2  22.854   7.382  -1.711
   14   1HZ   LYS   2          1HZ       LYS   2  22.917   5.600   0.751
   15   2HZ   LYS   2          2HZ       LYS   2  24.311   5.941   0.005
   16   3HZ   LYS   2          3HZ       LYS   2  23.499   7.148   0.582
   17    H    SER   3           H        SER   3  15.740   7.343   1.150
   18    HA   SER   3           HA       SER   3  15.293   4.758   2.701
   19   1HB   SER   3          1HB       SER   3  12.982   6.031   3.072
   20   2HB   SER   3          2HB       SER   3  14.402   6.471   3.990
   21    HG   SER   3           HG       SER   3  14.260   8.371   3.170
   22    H    GLU   4           H        GLU   4  15.571   4.739  -0.303
   23    HA   GLU   4           HA       GLU   4  12.749   3.982  -1.165
   24   1HB   GLU   4          1HB       GLU   4  12.554   5.243  -3.010
   25   2HB   GLU   4          2HB       GLU   4  13.351   6.311  -1.880
   26   1HG   GLU   4          1HG       GLU   4  14.616   6.857  -3.772
   27   2HG   GLU   4          2HG       GLU   4  15.593   5.478  -3.283
   28    H    GLU   5           H        GLU   5  16.233   3.458  -1.713
   29    HA   GLU   5           HA       GLU   5  16.060   0.984  -3.087
   30   1HB   GLU   5          1HB       GLU   5  18.119   2.282  -2.363
   31   2HB   GLU   5          2HB       GLU   5  18.012   1.514  -0.807
   32   1HG   GLU   5          1HG       GLU   5  18.351  -0.776  -1.927
   33   2HG   GLU   5          2HG       GLU   5  18.479   0.015  -3.487
   34    H    GLU   6           H        GLU   6  15.722   1.296   0.452
   35    HA   GLU   6           HA       GLU   6  15.282  -1.561   0.887
   36   1HB   GLU   6          1HB       GLU   6  16.286  -0.547   2.668
   37   2HB   GLU   6          2HB       GLU   6  15.309   0.888   2.615
   38   1HG   GLU   6          1HG       GLU   6  13.455  -0.203   3.839
   39   2HG   GLU   6          2HG       GLU   6  14.142  -1.802   3.621
   40    H    LEU   7           H        LEU   7  12.898   1.087   1.050
   41    HA   LEU   7           HA       LEU   7  10.402  -0.531   1.092
   42   1HB   LEU   7          1HB       LEU   7  11.011   2.255  -0.035
   43   2HB   LEU   7          2HB       LEU   7   9.413   1.552  -0.063
   44    HG   LEU   7           HG       LEU   7  10.300   3.218   1.913
   45   1HD1  LEU   7          1HD1      LEU   7   7.941   2.536   1.511
   46   2HD1  LEU   7          2HD1      LEU   7   8.227   0.947   2.265
   47   3HD1  LEU   7          3HD1      LEU   7   8.323   2.438   3.236
   48   1HD2  LEU   7          1HD2      LEU   7  10.737   0.362   3.062
   49   2HD2  LEU   7          2HD2      LEU   7  11.962   1.652   2.912
   50   3HD2  LEU   7          3HD2      LEU   7  10.614   1.852   4.034
   51    H    ALA   8           H        ALA   8  12.619   0.372  -1.543
   52    HA   ALA   8           HA       ALA   8  11.192  -0.766  -3.758
   53   1HB   ALA   8          1HB       ALA   8  14.239  -0.574  -3.250
   54   2HB   ALA   8          2HB       ALA   8  13.482  -0.857  -4.830
   55   3HB   ALA   8          3HB       ALA   8  13.195   0.667  -3.983
   56    H    ASN   9           H        ASN   9  13.890  -2.599  -2.149
   57    HA   ASN   9           HA       ASN   9  13.237  -5.236  -2.809
   58   1HB   ASN   9          1HB       ASN   9  14.072  -4.269   0.015
   59   2HB   ASN   9          2HB       ASN   9  14.193  -5.914  -0.545
   60   1HD2  ASN   9          1HD2      ASN   9  16.789  -4.441  -2.997
   61   2HD2  ASN   9          2HD2      ASN   9  15.054  -4.901  -3.303
   62    H    ALA  10           H        ALA  10  11.699  -3.616   0.003
   63    HA   ALA  10           HA       ALA  10   9.647  -5.578   0.632
   64   1HB   ALA  10          1HB       ALA  10  10.320  -3.635   2.057
   65   2HB   ALA  10          2HB       ALA  10   9.560  -2.495   0.916
   66   3HB   ALA  10          3HB       ALA  10   8.563  -3.661   1.813
   67    H    PHE  11           H        PHE  11   9.515  -2.953  -1.775
   68    HA   PHE  11           HA       PHE  11   6.739  -3.354  -2.621
   69   1HB   PHE  11          1HB       PHE  11   8.060  -1.254  -2.924
   70   2HB   PHE  11          2HB       PHE  11   9.094  -2.034  -4.073
   71    HD1  PHE  11           HD1      PHE  11   5.279  -2.085  -3.937
   72    HD2  PHE  11           HD2      PHE  11   8.808  -1.000  -6.145
   73    HE1  PHE  11           HE1      PHE  11   3.880  -1.229  -5.775
   74    HE2  PHE  11           HE2      PHE  11   7.393  -0.125  -7.958
   75    HZ   PHE  11           HZ       PHE  11   4.939  -0.248  -7.787
   76    H    ARG  12           H        ARG  12   9.536  -4.039  -4.809
   77    HA   ARG  12           HA       ARG  12   8.637  -6.085  -6.417
   78   1HB   ARG  12          1HB       ARG  12  11.070  -5.166  -6.021
   79   2HB   ARG  12          2HB       ARG  12  11.278  -6.522  -4.919
   80   1HG   ARG  12          1HG       ARG  12  10.598  -8.104  -6.854
   81   2HG   ARG  12          2HG       ARG  12  10.567  -6.707  -7.937
   82   1HD   ARG  12          1HD       ARG  12  13.097  -6.382  -6.798
   83   2HD   ARG  12          2HD       ARG  12  12.939  -8.160  -6.744
   84    HE   ARG  12           HE       ARG  12  12.507  -8.155  -9.248
   85   1HH1  ARG  12          2HH1      ARG  12  13.765  -5.194  -7.962
   86   2HH1  ARG  12          1HH1      ARG  12  14.375  -4.648  -9.597
   87   1HH2  ARG  12          1HH2      ARG  12  13.180  -7.520 -11.068
   88   2HH2  ARG  12          2HH2      ARG  12  14.049  -5.930 -11.276
   89    H    ILE  13           H        ILE  13   9.286  -6.619  -2.940
   90    HA   ILE  13           HA       ILE  13   9.220  -9.605  -3.114
   91    HB   ILE  13           HB       ILE  13   9.441  -7.627  -0.808
   92   1HG1  ILE  13          1HG1      ILE  13  11.514  -8.445  -2.249
   93   2HG1  ILE  13          2HG1      ILE  13  11.654  -8.338  -0.515
   94   1HG2  ILE  13          1HG2      ILE  13   7.968  -9.465   0.101
   95   2HG2  ILE  13          2HG2      ILE  13   9.128 -10.699  -0.445
   96   3HG2  ILE  13          3HG2      ILE  13   9.554  -9.557   0.844
   97   1HD1  ILE  13          1HD1      ILE  13  11.275 -10.809  -0.230
   98   2HD1  ILE  13          2HD1      ILE  13  11.190 -10.995  -1.999
   99   3HD1  ILE  13          3HD1      ILE  13  12.692 -10.437  -1.237
  100    H    PHE  14           H        PHE  14   6.931  -7.070  -2.217
  101    HA   PHE  14           HA       PHE  14   4.716  -8.793  -1.143
  102   1HB   PHE  14          1HB       PHE  14   4.905  -5.908  -2.195
  103   2HB   PHE  14          2HB       PHE  14   3.351  -6.635  -1.948
  104    HD1  PHE  14           HD1      PHE  14   5.572  -7.987   0.516
  105    HD2  PHE  14           HD2      PHE  14   3.244  -4.491  -0.381
  106    HE1  PHE  14           HE1      PHE  14   5.594  -7.356   2.897
  107    HE2  PHE  14           HE2      PHE  14   3.288  -3.854   1.997
  108    HZ   PHE  14           HZ       PHE  14   4.481  -5.266   3.637
  109    H    ASP  15           H        ASP  15   5.694  -7.569  -4.319
  110    HA   ASP  15           HA       ASP  15   3.170  -8.234  -5.669
  111   1HB   ASP  15          1HB       ASP  15   4.642  -6.275  -6.205
  112   2HB   ASP  15          2HB       ASP  15   5.893  -7.344  -6.819
  113    H    LYS  16           H        LYS  16   2.469 -10.121  -6.330
  114    HA   LYS  16           HA       LYS  16   4.058 -12.624  -6.263
  115   1HB   LYS  16          1HB       LYS  16   1.645 -12.945  -7.884
  116   2HB   LYS  16          2HB       LYS  16   2.062 -13.695  -6.369
  117   1HG   LYS  16          1HG       LYS  16   1.212 -10.924  -5.828
  118   2HG   LYS  16          2HG       LYS  16   0.088 -11.615  -6.991
  119   1HD   LYS  16          1HD       LYS  16   0.514 -13.646  -4.952
  120   2HD   LYS  16          2HD       LYS  16   0.319 -12.104  -4.121
  121   1HE   LYS  16          1HE       LYS  16  -1.901 -12.757  -4.147
  122   2HE   LYS  16          2HE       LYS  16  -1.866 -11.748  -5.607
  123   1HZ   LYS  16          1HZ       LYS  16  -1.467 -14.773  -5.578
  124   2HZ   LYS  16          2HZ       LYS  16  -2.818 -14.010  -6.070
  125   3HZ   LYS  16          3HZ       LYS  16  -1.444 -13.869  -6.961
  126    H    ASN  17           H        ASN  17   2.366 -11.127  -9.046
  127    HA   ASN  17           HA       ASN  17   4.054 -12.774 -10.881
  128   1HB   ASN  17          1HB       ASN  17   2.301 -12.156 -12.611
  129   2HB   ASN  17          2HB       ASN  17   1.728 -13.034 -11.218
  130   1HD2  ASN  17          1HD2      ASN  17  -0.326 -10.207 -10.207
  131   2HD2  ASN  17          2HD2      ASN  17   0.526 -11.642  -9.548
  132    H    ALA  18           H        ALA  18   3.654  -9.283 -10.353
  133    HA   ALA  18           HA       ALA  18   5.546  -7.751 -10.489
  134   1HB   ALA  18          1HB       ALA  18   6.976  -9.821 -10.308
  135   2HB   ALA  18          2HB       ALA  18   6.855 -10.052 -12.067
  136   3HB   ALA  18          3HB       ALA  18   7.691  -8.626 -11.427
  137    H    ASP  19           H        ASP  19   3.514  -7.051 -12.093
  138    HA   ASP  19           HA       ASP  19   4.693  -6.108 -14.683
  139   1HB   ASP  19          1HB       ASP  19   2.155  -6.496 -14.011
  140   2HB   ASP  19          2HB       ASP  19   2.232  -4.884 -13.315
  141    H    GLY  20           H        GLY  20   5.316  -5.192 -11.492
  142   1HA   GLY  20          1HA       GLY  20   6.619  -3.255 -10.710
  143   2HA   GLY  20          2HA       GLY  20   6.230  -2.413 -12.216
  144    H    TYR  21           H        TYR  21   3.293  -3.417 -11.188
  145    HA   TYR  21           HA       TYR  21   2.737  -0.910  -9.489
  146   1HB   TYR  21          1HB       TYR  21   0.838  -2.355 -11.447
  147   2HB   TYR  21          2HB       TYR  21   0.409  -0.990 -10.460
  148    HD1  TYR  21           HD1      TYR  21   3.362   0.339 -11.006
  149    HD2  TYR  21           HD2      TYR  21   0.082  -0.995 -13.449
  150    HE1  TYR  21           HE1      TYR  21   4.058   1.878 -12.799
  151    HE2  TYR  21           HE2      TYR  21   0.799   0.567 -15.227
  152    HH   TYR  21           HH       TYR  21   3.722   2.583 -14.817
  153    H    ILE  22           H        ILE  22   1.221  -1.020  -7.801
  154    HA   ILE  22           HA       ILE  22   0.277  -3.791  -6.885
  155    HB   ILE  22           HB       ILE  22   0.499  -1.194  -5.270
  156   1HG1  ILE  22          1HG1      ILE  22   2.216  -3.754  -5.236
  157   2HG1  ILE  22          2HG1      ILE  22   2.744  -2.117  -5.517
  158   1HG2  ILE  22          1HG2      ILE  22  -1.462  -2.574  -4.445
  159   2HG2  ILE  22          2HG2      ILE  22  -0.413  -3.994  -4.271
  160   3HG2  ILE  22          3HG2      ILE  22  -0.182  -2.557  -3.243
  161   1HD1  ILE  22          1HD1      ILE  22   2.180  -1.466  -3.120
  162   2HD1  ILE  22          2HD1      ILE  22   1.835  -3.181  -2.782
  163   3HD1  ILE  22          3HD1      ILE  22   3.466  -2.688  -3.280
  164    H    ASP  23           H        ASP  23  -1.858  -4.174  -6.356
  165    HA   ASP  23           HA       ASP  23  -3.924  -2.260  -7.568
  166   1HB   ASP  23          1HB       ASP  23  -4.984  -4.094  -8.734
  167   2HB   ASP  23          2HB       ASP  23  -3.262  -4.222  -9.065
  168    H    ILE  24           H        ILE  24  -6.253  -3.258  -7.019
  169    HA   ILE  24           HA       ILE  24  -6.557  -2.602  -4.094
  170    HB   ILE  24           HB       ILE  24  -8.118  -1.937  -6.195
  171   1HG1  ILE  24          1HG1      ILE  24  -9.523  -2.419  -3.494
  172   2HG1  ILE  24          2HG1      ILE  24  -8.276  -1.212  -3.649
  173   1HG2  ILE  24          1HG2      ILE  24  -8.955  -4.284  -6.676
  174   2HG2  ILE  24          2HG2      ILE  24  -9.616  -4.398  -5.033
  175   3HG2  ILE  24          3HG2      ILE  24 -10.289  -3.242  -6.210
  176   1HD1  ILE  24          1HD1      ILE  24  -9.568  -0.041  -5.504
  177   2HD1  ILE  24          2HD1      ILE  24 -10.929  -1.147  -5.196
  178   3HD1  ILE  24          3HD1      ILE  24 -10.382  -0.043  -3.917
  179    H    GLU  25           H        GLU  25  -6.543  -5.472  -6.064
  180    HA   GLU  25           HA       GLU  25  -7.681  -7.332  -4.005
  181   1HB   GLU  25          1HB       GLU  25  -6.655  -7.583  -6.779
  182   2HB   GLU  25          2HB       GLU  25  -6.263  -8.949  -5.780
  183   1HG   GLU  25          1HG       GLU  25  -9.173  -7.924  -6.065
  184   2HG   GLU  25          2HG       GLU  25  -8.477  -9.093  -7.172
  185    H    GLU  26           H        GLU  26  -4.465  -6.224  -4.882
  186    HA   GLU  26           HA       GLU  26  -3.018  -8.001  -2.943
  187   1HB   GLU  26          1HB       GLU  26  -2.104  -5.713  -4.722
  188   2HB   GLU  26          2HB       GLU  26  -1.044  -6.377  -3.516
  189   1HG   GLU  26          1HG       GLU  26  -1.211  -8.679  -4.656
  190   2HG   GLU  26          2HG       GLU  26  -2.254  -7.984  -5.883
  191    H    LEU  27           H        LEU  27  -4.583  -4.927  -2.742
  192    HA   LEU  27           HA       LEU  27  -3.111  -3.609  -0.596
  193   1HB   LEU  27          1HB       LEU  27  -4.732  -2.489  -2.097
  194   2HB   LEU  27          2HB       LEU  27  -6.065  -3.376  -1.405
  195    HG   LEU  27           HG       LEU  27  -5.630  -0.869  -0.666
  196   1HD1  LEU  27          1HD1      LEU  27  -7.425  -2.341   0.252
  197   2HD1  LEU  27          2HD1      LEU  27  -6.292  -3.042   1.442
  198   3HD1  LEU  27          3HD1      LEU  27  -6.736  -1.312   1.505
  199   1HD2  LEU  27          1HD2      LEU  27  -3.739  -2.329   1.326
  200   2HD2  LEU  27          2HD2      LEU  27  -3.246  -1.128   0.095
  201   3HD2  LEU  27          3HD2      LEU  27  -4.288  -0.633   1.434
  202    H    GLY  28           H        GLY  28  -6.403  -4.767   0.045
  203   1HA   GLY  28          1HA       GLY  28  -6.403  -4.920   2.810
  204   2HA   GLY  28          2HA       GLY  28  -7.323  -6.109   1.880
  205    H    GLU  29           H        GLU  29  -5.258  -7.691   0.839
  206    HA   GLU  29           HA       GLU  29  -4.921  -9.479   3.223
  207   1HB   GLU  29          1HB       GLU  29  -5.618 -10.051   0.718
  208   2HB   GLU  29          2HB       GLU  29  -3.908 -10.228   0.466
  209   1HG   GLU  29          1HG       GLU  29  -4.076 -11.907   2.619
  210   2HG   GLU  29          2HG       GLU  29  -5.770 -11.973   2.170
  211    H    ILE  30           H        ILE  30  -2.728  -7.684   1.120
  212    HA   ILE  30           HA       ILE  30  -0.121  -8.184   2.385
  213    HB   ILE  30           HB       ILE  30  -1.344  -5.654   1.198
  214   1HG1  ILE  30          1HG1      ILE  30   1.094  -7.315   0.261
  215   2HG1  ILE  30          2HG1      ILE  30  -0.513  -7.475  -0.395
  216   1HG2  ILE  30          1HG2      ILE  30   0.190  -4.869   3.038
  217   2HG2  ILE  30          2HG2      ILE  30   1.516  -5.864   2.383
  218   3HG2  ILE  30          3HG2      ILE  30   0.869  -4.477   1.462
  219   1HD1  ILE  30          1HD1      ILE  30   1.110  -4.856  -0.657
  220   2HD1  ILE  30          2HD1      ILE  30   0.838  -6.090  -1.906
  221   3HD1  ILE  30          3HD1      ILE  30  -0.534  -5.154  -1.280
  222    H    LEU  31           H        LEU  31  -2.613  -5.785   3.350
  223    HA   LEU  31           HA       LEU  31  -1.220  -4.848   5.806
  224   1HB   LEU  31          1HB       LEU  31  -4.227  -4.694   5.657
  225   2HB   LEU  31          2HB       LEU  31  -3.082  -3.510   6.237
  226    HG   LEU  31           HG       LEU  31  -4.114  -3.954   3.435
  227   1HD1  LEU  31          1HD1      LEU  31  -3.363  -1.457   5.101
  228   2HD1  LEU  31          2HD1      LEU  31  -4.055  -1.431   3.457
  229   3HD1  LEU  31          3HD1      LEU  31  -4.996  -2.109   4.789
  230   1HD2  LEU  31          1HD2      LEU  31  -1.278  -2.815   3.977
  231   2HD2  LEU  31          2HD2      LEU  31  -1.687  -4.233   2.972
  232   3HD2  LEU  31          3HD2      LEU  31  -2.180  -2.618   2.451
  233    H    ARG  32           H        ARG  32  -3.552  -7.438   5.230
  234    HA   ARG  32           HA       ARG  32  -3.961  -8.023   8.125
  235   1HB   ARG  32          1HB       ARG  32  -5.823  -8.115   6.660
  236   2HB   ARG  32          2HB       ARG  32  -4.978  -9.048   5.426
  237   1HG   ARG  32          1HG       ARG  32  -5.513 -11.082   6.463
  238   2HG   ARG  32          2HG       ARG  32  -5.218 -10.438   8.088
  239   1HD   ARG  32          1HD       ARG  32  -7.665  -9.394   6.557
  240   2HD   ARG  32          2HD       ARG  32  -7.747 -11.037   7.231
  241    HE   ARG  32           HE       ARG  32  -7.864  -8.555   8.814
  242   1HH1  ARG  32          2HH1      ARG  32  -6.465 -11.728   9.029
  243   2HH1  ARG  32          1HH1      ARG  32  -6.493 -11.698  10.856
  244   1HH2  ARG  32          1HH2      ARG  32  -7.837  -8.539  10.872
  245   2HH2  ARG  32          2HH2      ARG  32  -7.227  -9.967  11.827
  246    H    ALA  33           H        ALA  33  -1.977  -9.394   5.574
  247    HA   ALA  33           HA       ALA  33  -1.701 -12.090   6.568
  248   1HB   ALA  33          1HB       ALA  33  -1.363 -11.390   4.203
  249   2HB   ALA  33          2HB       ALA  33   0.125 -10.508   4.641
  250   3HB   ALA  33          3HB       ALA  33   0.053 -12.277   4.791
  251    H    THR  34           H        THR  34   0.026  -9.339   7.846
  252    HA   THR  34           HA       THR  34   2.352 -11.008   8.808
  253    HB   THR  34           HB       THR  34   4.055  -9.339   7.882
  254    HG1  THR  34           HG1      THR  34   2.169  -8.830   5.864
  255   1HG2  THR  34          2HG2      THR  34   3.602 -11.665   6.860
  256   2HG2  THR  34          3HG2      THR  34   2.468 -10.896   5.720
  257   3HG2  THR  34          1HG2      THR  34   4.189 -10.477   5.667
  258    H    GLY  35           H        GLY  35   0.769  -7.781   8.706
  259   1HA   GLY  35          1HA       GLY  35  -0.259  -6.717  10.694
  260   2HA   GLY  35          2HA       GLY  35   0.554  -7.897  11.730
  261   1HN   NH2  36          1HN       NH2  36   1.556  -5.164   9.480
  262   2HN   NH2  36          2HN       NH2  36   2.698  -4.436  10.642
  263   1H    ACE  37          1HH3      ACE  37 -13.651  -5.245  14.698
  264   2H    ACE  37          2HH3      ACE  37 -14.497  -4.277  13.442
  265   3H    ACE  37          3HH3      ACE  37 -14.988  -5.962  13.759
  266    H    VAL  38           H        VAL  38 -12.032  -4.146  12.910
  267    HA   VAL  38           HA       VAL  38 -10.750  -4.202  10.870
  268    HB   VAL  38           HB       VAL  38 -10.509  -7.179  10.804
  269   1HG1  VAL  38          1HG1      VAL  38  -8.438  -4.867  10.924
  270   2HG1  VAL  38          2HG1      VAL  38  -8.008  -6.585  10.763
  271   3HG1  VAL  38          3HG1      VAL  38  -8.922  -5.780   9.484
  272   1HG2  VAL  38          1HG2      VAL  38 -10.684  -6.888  13.314
  273   2HG2  VAL  38          2HG2      VAL  38  -9.023  -7.309  12.844
  274   3HG2  VAL  38          3HG2      VAL  38  -9.432  -5.627  13.260
  275    H    THR  39           H        THR  39 -13.076  -3.642  10.142
  276    HA   THR  39           HA       THR  39 -14.649  -5.630   8.506
  277    HB   THR  39           HB       THR  39 -15.740  -3.658   9.663
  278    HG1  THR  39           HG1      THR  39 -16.427  -4.659   7.519
  279   1HG2  THR  39          2HG2      THR  39 -14.310  -2.011   7.460
  280   2HG2  THR  39          3HG2      THR  39 -15.573  -1.392   8.551
  281   3HG2  THR  39          1HG2      THR  39 -14.004  -1.900   9.209
  282    H    GLU  40           H        GLU  40 -14.938  -5.264   6.159
  283    HA   GLU  40           HA       GLU  40 -12.475  -4.565   4.596
  284   1HB   GLU  40          1HB       GLU  40 -15.200  -5.638   3.895
  285   2HB   GLU  40          2HB       GLU  40 -14.318  -4.834   2.633
  286   1HG   GLU  40          1HG       GLU  40 -13.639  -7.062   2.260
  287   2HG   GLU  40          2HG       GLU  40 -12.318  -6.552   3.295
  288    H    GLU  41           H        GLU  41 -15.446  -2.840   5.435
  289    HA   GLU  41           HA       GLU  41 -15.114  -0.491   3.876
  290   1HB   GLU  41          1HB       GLU  41 -16.198  -0.680   6.721
  291   2HB   GLU  41          2HB       GLU  41 -16.353   0.734   5.724
  292   1HG   GLU  41          1HG       GLU  41 -17.528  -1.125   4.011
  293   2HG   GLU  41          2HG       GLU  41 -17.864  -1.903   5.546
  294    H    ASP  42           H        ASP  42 -13.256  -1.305   6.735
  295    HA   ASP  42           HA       ASP  42 -11.771   1.270   7.052
  296   1HB   ASP  42          1HB       ASP  42 -11.281  -1.614   8.007
  297   2HB   ASP  42          2HB       ASP  42 -10.117  -0.333   8.314
  298    H    ILE  43           H        ILE  43 -11.341  -1.619   5.067
  299    HA   ILE  43           HA       ILE  43  -8.741  -0.761   3.812
  300    HB   ILE  43           HB       ILE  43 -10.717  -2.996   3.206
  301   1HG1  ILE  43          1HG1      ILE  43  -8.807  -4.527   3.557
  302   2HG1  ILE  43          2HG1      ILE  43  -7.671  -3.208   3.628
  303   1HG2  ILE  43          1HG2      ILE  43 -10.049  -2.138   0.927
  304   2HG2  ILE  43          2HG2      ILE  43  -8.332  -2.227   1.367
  305   3HG2  ILE  43          3HG2      ILE  43  -9.310  -3.707   1.209
  306   1HD1  ILE  43          1HD1      ILE  43  -8.692  -2.341   5.776
  307   2HD1  ILE  43          2HD1      ILE  43  -9.767  -3.763   5.815
  308   3HD1  ILE  43          3HD1      ILE  43  -8.006  -3.976   5.906
  309    H    GLU  44           H        GLU  44 -12.196  -0.497   3.002
  310    HA   GLU  44           HA       GLU  44 -11.744   0.650   0.268
  311   1HB   GLU  44          1HB       GLU  44 -13.786  -0.073  -0.083
  312   2HB   GLU  44          2HB       GLU  44 -13.920  -0.594   1.568
  313   1HG   GLU  44          1HG       GLU  44 -15.727   0.824   1.753
  314   2HG   GLU  44          2HG       GLU  44 -14.609   2.176   1.752
  315    H    ASP  45           H        ASP  45 -12.420   1.957   3.465
  316    HA   ASP  45           HA       ASP  45 -12.625   4.827   2.577
  317   1HB   ASP  45          1HB       ASP  45 -12.683   3.367   5.265
  318   2HB   ASP  45          2HB       ASP  45 -12.416   5.105   5.243
  319    H    LEU  46           H        LEU  46 -10.121   2.773   4.027
  320    HA   LEU  46           HA       LEU  46  -7.894   4.740   4.058
  321   1HB   LEU  46          1HB       LEU  46  -7.906   2.544   5.241
  322   2HB   LEU  46          2HB       LEU  46  -7.850   1.681   3.721
  323    HG   LEU  46           HG       LEU  46  -5.556   2.252   3.286
  324   1HD1  LEU  46          1HD1      LEU  46  -6.144   4.696   4.928
  325   2HD1  LEU  46          2HD1      LEU  46  -4.529   3.976   5.191
  326   3HD1  LEU  46          3HD1      LEU  46  -5.021   4.452   3.558
  327   1HD2  LEU  46          1HD2      LEU  46  -6.117   1.562   6.188
  328   2HD2  LEU  46          2HD2      LEU  46  -5.196   0.635   4.968
  329   3HD2  LEU  46          3HD2      LEU  46  -4.467   2.046   5.791
  330    H    MET  47           H        MET  47  -8.747   2.402   1.501
  331    HA   MET  47           HA       MET  47  -6.749   3.399  -0.396
  332   1HB   MET  47          1HB       MET  47  -7.749   1.068  -0.373
  333   2HB   MET  47          2HB       MET  47  -9.249   1.723  -1.008
  334   1HG   MET  47          1HG       MET  47  -7.987   0.791  -2.900
  335   2HG   MET  47          2HG       MET  47  -8.044   2.553  -3.087
  336   1HE   MET  47          1HE       MET  47  -6.155   1.179  -4.807
  337   2HE   MET  47          2HE       MET  47  -6.065   2.952  -4.596
  338   3HE   MET  47          3HE       MET  47  -4.568   1.977  -4.529
  339    H    LYS  48           H        LYS  48 -10.014   4.577   0.236
  340    HA   LYS  48           HA       LYS  48  -9.855   6.552  -2.020
  341   1HB   LYS  48          1HB       LYS  48 -11.801   5.542  -0.141
  342   2HB   LYS  48          2HB       LYS  48 -11.794   7.263   0.090
  343   1HG   LYS  48          1HG       LYS  48 -13.530   6.749  -1.586
  344   2HG   LYS  48          2HG       LYS  48 -12.247   7.563  -2.426
  345   1HD   LYS  48          1HD       LYS  48 -11.324   5.038  -2.853
  346   2HD   LYS  48          2HD       LYS  48 -12.990   4.595  -2.674
  347   1HE   LYS  48          1HE       LYS  48 -13.502   6.445  -4.544
  348   2HE   LYS  48          2HE       LYS  48 -11.763   6.543  -4.756
  349   1HZ   LYS  48          1HZ       LYS  48 -11.749   4.005  -5.180
  350   2HZ   LYS  48          2HZ       LYS  48 -13.404   4.042  -5.246
  351   3HZ   LYS  48          3HZ       LYS  48 -12.467   4.863  -6.301
  352    H    ASP  49           H        ASP  49  -8.720   6.422   1.278
  353    HA   ASP  49           HA       ASP  49  -8.724   9.402   1.778
  354   1HB   ASP  49          1HB       ASP  49  -9.111   7.980   3.716
  355   2HB   ASP  49          2HB       ASP  49  -7.675   7.013   3.411
  356    H    SER  50           H        SER  50  -6.207   6.948   1.170
  357    HA   SER  50           HA       SER  50  -3.935   8.869   0.798
  358   1HB   SER  50          1HB       SER  50  -4.358   5.887   0.168
  359   2HB   SER  50          2HB       SER  50  -2.921   6.728  -0.403
  360    HG   SER  50           HG       SER  50  -2.458   5.853   1.564
  361    H    ASP  51           H        ASP  51  -6.221   7.183  -1.344
  362    HA   ASP  51           HA       ASP  51  -4.727   7.684  -3.791
  363   1HB   ASP  51          1HB       ASP  51  -6.421   5.774  -3.150
  364   2HB   ASP  51          2HB       ASP  51  -7.688   6.853  -3.715
  365    H    LYS  52           H        LYS  52  -5.909   8.529  -5.828
  366    HA   LYS  52           HA       LYS  52  -8.005  10.646  -5.330
  367   1HB   LYS  52          1HB       LYS  52  -7.065  12.254  -6.925
  368   2HB   LYS  52          2HB       LYS  52  -6.039  12.081  -5.535
  369   1HG   LYS  52          1HG       LYS  52  -5.553  10.926  -8.390
  370   2HG   LYS  52          2HG       LYS  52  -4.736  12.280  -7.677
  371   1HD   LYS  52          1HD       LYS  52  -3.875  10.678  -5.799
  372   2HD   LYS  52          2HD       LYS  52  -4.369   9.337  -6.779
  373   1HE   LYS  52          1HE       LYS  52  -1.979  11.164  -7.048
  374   2HE   LYS  52          2HE       LYS  52  -2.172   9.492  -7.572
  375   1HZ   LYS  52          1HZ       LYS  52  -3.842  10.842  -9.378
  376   2HZ   LYS  52          2HZ       LYS  52  -2.642  11.926  -9.156
  377   3HZ   LYS  52          3HZ       LYS  52  -2.258  10.493  -9.710
  378    H    ASN  53           H        ASN  53  -7.560  11.077  -8.454
  379    HA   ASN  53           HA       ASN  53 -10.145   9.846  -8.842
  380   1HB   ASN  53          1HB       ASN  53 -10.052  10.869 -11.143
  381   2HB   ASN  53          2HB       ASN  53  -9.531  11.982  -9.910
  382   1HD2  ASN  53          1HD2      ASN  53  -6.295  12.339 -11.336
  383   2HD2  ASN  53          2HD2      ASN  53  -7.390  12.719  -9.933
  384    H    ASN  54           H        ASN  54  -7.124   8.979 -10.563
  385    HA   ASN  54           HA       ASN  54  -6.268   6.804 -11.191
  386   1HB   ASN  54          1HB       ASN  54  -7.847   6.450  -8.567
  387   2HB   ASN  54          2HB       ASN  54  -7.054   5.076  -9.285
  388   1HD2  ASN  54          1HD2      ASN  54  -3.796   6.223  -8.331
  389   2HD2  ASN  54          2HD2      ASN  54  -4.722   5.101  -9.427
  390    H    ASP  55           H        ASP  55  -7.203   6.398 -13.190
  391    HA   ASP  55           HA       ASP  55  -9.229   4.725 -14.144
  392   1HB   ASP  55          1HB       ASP  55  -6.675   5.315 -14.955
  393   2HB   ASP  55          2HB       ASP  55  -6.414   3.638 -14.496
  394    H    GLY  56           H        GLY  56  -6.839   3.649 -11.725
  395   1HA   GLY  56          1HA       GLY  56  -8.833   2.684  -9.986
  396   2HA   GLY  56          2HA       GLY  56  -8.410   1.215 -10.876
  397    H    ARG  57           H        ARG  57  -5.517   2.244 -10.990
  398    HA   ARG  57           HA       ARG  57  -4.863   0.533  -8.548
  399   1HB   ARG  57          1HB       ARG  57  -2.989  -0.329 -10.132
  400   2HB   ARG  57          2HB       ARG  57  -4.656  -0.791 -10.473
  401   1HG   ARG  57          1HG       ARG  57  -4.732   0.428 -12.476
  402   2HG   ARG  57          2HG       ARG  57  -3.775   1.764 -11.840
  403   1HD   ARG  57          1HD       ARG  57  -2.440   0.644 -13.590
  404   2HD   ARG  57          2HD       ARG  57  -1.675   0.328 -12.034
  405    HE   ARG  57           HE       ARG  57  -3.288  -1.877 -11.992
  406   1HH1  ARG  57          2HH1      ARG  57  -1.383  -0.749 -14.658
  407   2HH1  ARG  57          1HH1      ARG  57  -1.105  -2.470 -15.250
  408   1HH2  ARG  57          1HH2      ARG  57  -3.091  -3.708 -12.751
  409   2HH2  ARG  57          2HH2      ARG  57  -2.065  -4.072 -14.224
  410    H    ILE  58           H        ILE  58  -2.511   0.405  -7.973
  411    HA   ILE  58           HA       ILE  58  -1.483   3.211  -7.415
  412    HB   ILE  58           HB       ILE  58  -1.209   0.587  -5.871
  413   1HG1  ILE  58          1HG1      ILE  58  -2.542   3.283  -5.146
  414   2HG1  ILE  58          2HG1      ILE  58  -3.369   1.797  -5.520
  415   1HG2  ILE  58          1HG2      ILE  58   1.003   1.804  -5.663
  416   2HG2  ILE  58          2HG2      ILE  58   0.163   3.276  -5.135
  417   3HG2  ILE  58          3HG2      ILE  58   0.147   1.812  -4.125
  418   1HD1  ILE  58          1HD1      ILE  58  -2.400   0.651  -3.475
  419   2HD1  ILE  58          2HD1      ILE  58  -1.654   2.197  -2.995
  420   3HD1  ILE  58          3HD1      ILE  58  -3.423   2.061  -3.101
  421    H    ASP  59           H        ASP  59   0.595   3.870  -7.874
  422    HA   ASP  59           HA       ASP  59   2.666   1.787  -8.725
  423   1HB   ASP  59          1HB       ASP  59   3.753   3.646  -9.983
  424   2HB   ASP  59          2HB       ASP  59   2.074   3.440 -10.462
  425    H    PHE  60           H        PHE  60   5.036   2.936  -8.356
  426    HA   PHE  60           HA       PHE  60   5.592   2.080  -5.573
  427   1HB   PHE  60          1HB       PHE  60   7.144   1.988  -7.673
  428   2HB   PHE  60          2HB       PHE  60   7.483   3.666  -7.407
  429    HD1  PHE  60           HD1      PHE  60   7.170   2.677  -4.123
  430    HD2  PHE  60           HD2      PHE  60   9.835   2.129  -7.447
  431    HE1  PHE  60           HE1      PHE  60   8.990   2.127  -2.572
  432    HE2  PHE  60           HE2      PHE  60  11.654   1.553  -5.882
  433    HZ   PHE  60           HZ       PHE  60  11.217   1.492  -3.443
  434    H    ASP  61           H        ASP  61   4.961   5.219  -6.988
  435    HA   ASP  61           HA       ASP  61   5.897   7.075  -4.879
  436   1HB   ASP  61          1HB       ASP  61   5.176   8.216  -6.831
  437   2HB   ASP  61          2HB       ASP  61   3.887   7.078  -7.176
  438    H    GLU  62           H        GLU  62   2.555   6.517  -5.576
  439    HA   GLU  62           HA       GLU  62   1.120   6.792  -3.119
  440   1HB   GLU  62          1HB       GLU  62   0.469   4.536  -5.051
  441   2HB   GLU  62          2HB       GLU  62  -0.622   5.396  -4.006
  442   1HG   GLU  62          1HG       GLU  62   0.083   7.551  -5.518
  443   2HG   GLU  62          2HG       GLU  62   0.590   6.332  -6.673
  444    H    PHE  63           H        PHE  63   3.333   4.118  -3.811
  445    HA   PHE  63           HA       PHE  63   2.483   2.329  -1.541
  446   1HB   PHE  63          1HB       PHE  63   3.838   1.641  -3.623
  447   2HB   PHE  63          2HB       PHE  63   5.197   2.499  -2.980
  448    HD1  PHE  63           HD1      PHE  63   2.814   0.009  -1.363
  449    HD2  PHE  63           HD2      PHE  63   6.900   1.132  -2.114
  450    HE1  PHE  63           HE1      PHE  63   3.582  -1.787   0.098
  451    HE2  PHE  63           HE2      PHE  63   7.653  -0.682  -0.632
  452    HZ   PHE  63           HZ       PHE  63   6.002  -2.184   0.430
  453    H    LEU  64           H        LEU  64   5.323   4.461  -1.967
  454    HA   LEU  64           HA       LEU  64   6.295   4.630   0.707
  455   1HB   LEU  64          1HB       LEU  64   6.266   6.742  -1.503
  456   2HB   LEU  64          2HB       LEU  64   7.073   7.044   0.015
  457    HG   LEU  64           HG       LEU  64   7.800   4.541  -1.591
  458   1HD1  LEU  64          1HD1      LEU  64   8.809   7.414  -2.156
  459   2HD1  LEU  64          2HD1      LEU  64   9.574   5.925  -2.775
  460   3HD1  LEU  64          3HD1      LEU  64   7.921   6.322  -3.253
  461   1HD2  LEU  64          1HD2      LEU  64   9.418   6.371   0.333
  462   2HD2  LEU  64          2HD2      LEU  64   8.865   4.701   0.652
  463   3HD2  LEU  64          3HD2      LEU  64  10.098   5.000  -0.580
  464    H    LYS  65           H        LYS  65   3.576   6.501  -0.599
  465    HA   LYS  65           HA       LYS  65   3.126   8.076   1.903
  466   1HB   LYS  65          1HB       LYS  65   1.611   7.623  -0.729
  467   2HB   LYS  65          2HB       LYS  65   1.074   8.798   0.456
  468   1HG   LYS  65          1HG       LYS  65   3.822   9.489  -0.083
  469   2HG   LYS  65          2HG       LYS  65   3.185   8.937  -1.644
  470   1HD   LYS  65          1HD       LYS  65   1.095  10.505  -0.423
  471   2HD   LYS  65          2HD       LYS  65   2.568  11.457  -0.208
  472   1HE   LYS  65          1HE       LYS  65   2.029  10.325  -3.005
  473   2HE   LYS  65          2HE       LYS  65   0.870  11.530  -2.412
  474   1HZ   LYS  65          1HZ       LYS  65   3.168  12.827  -1.717
  475   2HZ   LYS  65          2HZ       LYS  65   3.805  11.915  -2.909
  476   3HZ   LYS  65          3HZ       LYS  65   2.616  12.937  -3.268
  477    H    MET  66           H        MET  66   0.959   5.650   0.307
  478    HA   MET  66           HA       MET  66  -0.671   4.851   2.418
  479   1HB   MET  66          1HB       MET  66  -0.969   3.872   0.235
  480   2HB   MET  66          2HB       MET  66   0.638   3.179   0.217
  481   1HG   MET  66          1HG       MET  66   0.073   1.426   1.824
  482   2HG   MET  66          2HG       MET  66  -1.488   2.173   2.214
  483   1HE   MET  66          1HE       MET  66  -0.376  -0.810   0.955
  484   2HE   MET  66          2HE       MET  66  -0.694  -0.982  -0.796
  485   3HE   MET  66          3HE       MET  66   0.637   0.072  -0.230
  486    H    MET  67           H        MET  67   2.700   3.722   2.093
  487    HA   MET  67           HA       MET  67   2.718   1.990   4.469
  488   1HB   MET  67          1HB       MET  67   4.446   1.674   2.775
  489   2HB   MET  67          2HB       MET  67   4.949   3.350   2.858
  490   1HG   MET  67          1HG       MET  67   6.618   1.887   3.992
  491   2HG   MET  67          2HG       MET  67   5.925   3.051   5.138
  492   1HE   MET  67          1HE       MET  67   6.056  -0.266   3.579
  493   2HE   MET  67          2HE       MET  67   5.820  -1.427   4.925
  494   3HE   MET  67          3HE       MET  67   4.415  -0.867   3.965
  495    H    GLU  68           H        GLU  68   4.449   5.161   4.190
  496    HA   GLU  68           HA       GLU  68   4.381   5.766   7.005
  497   1HB   GLU  68          1HB       GLU  68   4.566   7.808   4.746
  498   2HB   GLU  68          2HB       GLU  68   5.027   8.076   6.400
  499   1HG   GLU  68          1HG       GLU  68   6.763   6.029   5.963
  500   2HG   GLU  68          2HG       GLU  68   6.488   6.404   4.272
  501    H    GLY  69           H        GLY  69   2.389   7.793   4.777
  502   1HA   GLY  69          1HA       GLY  69  -0.021   8.335   5.531
  503   2HA   GLY  69          2HA       GLY  69   0.574   8.340   7.196
  504    H    VAL  70           H        VAL  70  -0.772  10.441   5.371
  505    HA   VAL  70           HA       VAL  70   0.941  12.735   6.463
  506    HB   VAL  70           HB       VAL  70   0.008  12.602   3.984
  507   1HG1  VAL  70          1HG1      VAL  70  -2.432  13.852   5.439
  508   2HG1  VAL  70          2HG1      VAL  70  -2.153  13.910   3.680
  509   3HG1  VAL  70          3HG1      VAL  70  -2.436  12.358   4.472
  510   1HG2  VAL  70          1HG2      VAL  70   1.296  14.573   4.905
  511   2HG2  VAL  70          2HG2      VAL  70   0.010  15.106   3.833
  512   3HG2  VAL  70          3HG2      VAL  70  -0.190  15.252   5.604
  513    H    GLN  71           H        GLN  71  -0.042  14.334   7.777
  514    HA   GLN  71           HA       GLN  71  -2.370  13.634   9.541
  515   1HB   GLN  71          1HB       GLN  71  -0.508  14.926  10.449
  516   2HB   GLN  71          2HB       GLN  71  -0.692  16.182   9.226
  517   1HG   GLN  71          1HG       GLN  71  -2.610  17.112  10.275
  518   2HG   GLN  71          2HG       GLN  71  -3.146  15.597  10.977
  519   1HE2  GLN  71          1HE2      GLN  71  -0.631  17.998  13.103
  520   2HE2  GLN  71          2HE2      GLN  71  -0.943  18.283  11.302
  521   1HN   NH2  72          1HN       NH2  72  -1.871  15.504   6.483
  522   2HN   NH2  72          2HN       NH2  72  -3.590  15.905   6.228
   
  No H/Q in entry =         522
  Start of MODEL    9
    1   1H    ACE   1          1HH3      ACE   1  17.857  11.916   6.694
    2   2H    ACE   1          2HH3      ACE   1  16.434  13.016   6.760
    3   3H    ACE   1          3HH3      ACE   1  16.785  11.902   8.111
    4    H    LYS   2           H        LYS   2  16.117  11.762   4.584
    5    HA   LYS   2           HA       LYS   2  14.406   9.329   4.977
    6   1HB   LYS   2          1HB       LYS   2  13.467   9.736   2.909
    7   2HB   LYS   2          2HB       LYS   2  13.834  11.365   3.434
    8   1HG   LYS   2          1HG       LYS   2  15.778  11.472   1.831
    9   2HG   LYS   2          2HG       LYS   2  15.738   9.746   1.584
   10   1HD   LYS   2          1HD       LYS   2  13.333  10.091   0.548
   11   2HD   LYS   2          2HD       LYS   2  13.673  11.823   0.575
   12   1HE   LYS   2          1HE       LYS   2  15.874  10.093  -0.595
   13   2HE   LYS   2          2HE       LYS   2  14.392  10.164  -1.566
   14   1HZ   LYS   2          1HZ       LYS   2  15.617  12.750  -0.513
   15   2HZ   LYS   2          2HZ       LYS   2  16.009  12.160  -2.017
   16   3HZ   LYS   2          3HZ       LYS   2  14.508  12.602  -1.608
   17    H    SER   3           H        SER   3  15.012   7.210   4.528
   18    HA   SER   3           HA       SER   3  17.361   6.644   2.702
   19   1HB   SER   3          1HB       SER   3  15.907   5.301   4.853
   20   2HB   SER   3          2HB       SER   3  16.014   4.214   3.489
   21    HG   SER   3           HG       SER   3  18.209   5.680   4.623
   22    H    GLU   4           H        GLU   4  16.582   4.349   1.449
   23    HA   GLU   4           HA       GLU   4  13.896   4.364   0.343
   24   1HB   GLU   4          1HB       GLU   4  14.180   5.954  -1.221
   25   2HB   GLU   4          2HB       GLU   4  15.886   5.627  -1.400
   26   1HG   GLU   4          1HG       GLU   4  15.493   3.874  -3.067
   27   2HG   GLU   4          2HG       GLU   4  13.794   3.714  -2.638
   28    H    GLU   5           H        GLU   5  17.157   3.023  -0.030
   29    HA   GLU   5           HA       GLU   5  16.734   0.490  -1.019
   30   1HB   GLU   5          1HB       GLU   5  18.909   0.944  -0.447
   31   2HB   GLU   5          2HB       GLU   5  18.547   1.466   1.170
   32   1HG   GLU   5          1HG       GLU   5  18.669  -0.739   2.074
   33   2HG   GLU   5          2HG       GLU   5  18.149  -1.517   0.590
   34    H    GLU   6           H        GLU   6  15.994   1.150   2.421
   35    HA   GLU   6           HA       GLU   6  15.166  -1.613   3.036
   36   1HB   GLU   6          1HB       GLU   6  15.824  -0.756   4.974
   37   2HB   GLU   6          2HB       GLU   6  15.518   0.891   4.514
   38   1HG   GLU   6          1HG       GLU   6  14.006   0.732   6.301
   39   2HG   GLU   6          2HG       GLU   6  12.909   0.221   5.031
   40    H    LEU   7           H        LEU   7  13.191   1.296   2.398
   41    HA   LEU   7           HA       LEU   7  10.566  -0.082   2.354
   42   1HB   LEU   7          1HB       LEU   7  11.487   2.540   1.056
   43   2HB   LEU   7          2HB       LEU   7   9.831   1.986   1.021
   44    HG   LEU   7           HG       LEU   7  10.254   1.904   3.754
   45   1HD1  LEU   7          1HD1      LEU   7  12.576   2.779   3.576
   46   2HD1  LEU   7          2HD1      LEU   7  12.009   4.229   2.710
   47   3HD1  LEU   7          3HD1      LEU   7  11.541   3.949   4.407
   48   1HD2  LEU   7          1HD2      LEU   7   9.386   4.388   2.098
   49   2HD2  LEU   7          2HD2      LEU   7   8.327   3.088   2.708
   50   3HD2  LEU   7          3HD2      LEU   7   9.119   4.177   3.849
   51    H    ALA   8           H        ALA   8  13.040   0.340  -0.154
   52    HA   ALA   8           HA       ALA   8  11.675  -0.840  -2.382
   53   1HB   ALA   8          1HB       ALA   8  14.662  -0.991  -1.583
   54   2HB   ALA   8          2HB       ALA   8  14.017  -1.342  -3.199
   55   3HB   ALA   8          3HB       ALA   8  13.871   0.289  -2.533
   56    H    ASN   9           H        ASN   9  14.056  -2.803  -0.523
   57    HA   ASN   9           HA       ASN   9  13.125  -5.462  -0.874
   58   1HB   ASN   9          1HB       ASN   9  14.126  -4.080   1.707
   59   2HB   ASN   9          2HB       ASN   9  13.841  -5.797   1.621
   60   1HD2  ASN   9          1HD2      ASN   9  17.420  -5.325   0.884
   61   2HD2  ASN   9          2HD2      ASN   9  16.279  -5.130   2.289
   62    H    ALA  10           H        ALA  10  11.635  -3.118   1.382
   63    HA   ALA  10           HA       ALA  10   9.724  -5.036   2.644
   64   1HB   ALA  10          1HB       ALA  10  10.634  -3.005   3.789
   65   2HB   ALA  10          2HB       ALA  10   9.795  -1.939   2.632
   66   3HB   ALA  10          3HB       ALA  10   8.860  -2.965   3.743
   67    H    PHE  11           H        PHE  11   9.357  -2.566   0.064
   68    HA   PHE  11           HA       PHE  11   6.538  -3.130  -0.523
   69   1HB   PHE  11          1HB       PHE  11   7.752  -1.008  -1.079
   70   2HB   PHE  11          2HB       PHE  11   8.711  -1.838  -2.257
   71    HD1  PHE  11           HD1      PHE  11   5.219  -0.703  -1.549
   72    HD2  PHE  11           HD2      PHE  11   7.858  -2.303  -4.546
   73    HE1  PHE  11           HE1      PHE  11   3.643  -0.025  -3.312
   74    HE2  PHE  11           HE2      PHE  11   6.271  -1.607  -6.297
   75    HZ   PHE  11           HZ       PHE  11   4.163  -0.467  -5.679
   76    H    ARG  12           H        ARG  12   9.499  -4.476  -1.979
   77    HA   ARG  12           HA       ARG  12   8.167  -6.435  -3.719
   78   1HB   ARG  12          1HB       ARG  12  10.442  -6.046  -4.203
   79   2HB   ARG  12          2HB       ARG  12  10.963  -6.188  -2.528
   80   1HG   ARG  12          1HG       ARG  12  10.897  -8.592  -2.562
   81   2HG   ARG  12          2HG       ARG  12   9.770  -8.661  -3.922
   82   1HD   ARG  12          1HD       ARG  12  12.593  -7.484  -4.305
   83   2HD   ARG  12          2HD       ARG  12  12.326  -9.249  -4.344
   84    HE   ARG  12           HE       ARG  12  10.455  -8.697  -6.161
   85   1HH1  ARG  12          2HH1      ARG  12  13.333  -6.796  -5.823
   86   2HH1  ARG  12          1HH1      ARG  12  13.287  -6.268  -7.574
   87   1HH2  ARG  12          1HH2      ARG  12  10.419  -8.094  -8.111
   88   2HH2  ARG  12          2HH2      ARG  12  11.696  -6.992  -8.805
   89    H    ILE  13           H        ILE  13   8.814  -6.442  -0.271
   90    HA   ILE  13           HA       ILE  13   8.445  -9.374   0.140
   91    HB   ILE  13           HB       ILE  13   8.800  -7.031   2.067
   92   1HG1  ILE  13          1HG1      ILE  13  10.785  -8.374   0.707
   93   2HG1  ILE  13          2HG1      ILE  13  11.012  -7.597   2.250
   94   1HG2  ILE  13          1HG2      ILE  13   7.280  -8.663   3.254
   95   2HG2  ILE  13          2HG2      ILE  13   8.400 -10.000   2.902
   96   3HG2  ILE  13          3HG2      ILE  13   8.869  -8.686   3.999
   97   1HD1  ILE  13          1HD1      ILE  13  10.644  -9.748   3.502
   98   2HD1  ILE  13          2HD1      ILE  13  10.470 -10.612   1.954
   99   3HD1  ILE  13          3HD1      ILE  13  12.009  -9.832   2.366
  100    H    PHE  14           H        PHE  14   6.389  -6.544   0.349
  101    HA   PHE  14           HA       PHE  14   4.048  -7.870   1.753
  102   1HB   PHE  14          1HB       PHE  14   4.433  -5.146   0.355
  103   2HB   PHE  14          2HB       PHE  14   2.869  -5.685   0.873
  104    HD1  PHE  14           HD1      PHE  14   4.749  -7.101   3.381
  105    HD2  PHE  14           HD2      PHE  14   3.652  -3.191   1.984
  106    HE1  PHE  14           HE1      PHE  14   5.053  -6.199   5.653
  107    HE2  PHE  14           HE2      PHE  14   3.979  -2.290   4.253
  108    HZ   PHE  14           HZ       PHE  14   4.688  -3.784   6.089
  109    H    ASP  15           H        ASP  15   5.223  -7.366  -1.505
  110    HA   ASP  15           HA       ASP  15   2.977  -7.722  -3.248
  111   1HB   ASP  15          1HB       ASP  15   5.277  -7.266  -4.019
  112   2HB   ASP  15          2HB       ASP  15   5.847  -8.830  -3.455
  113    H    LYS  16           H        LYS  16   1.755  -9.345  -3.995
  114    HA   LYS  16           HA       LYS  16   2.157 -12.154  -2.901
  115   1HB   LYS  16          1HB       LYS  16  -0.024 -12.528  -2.397
  116   2HB   LYS  16          2HB       LYS  16  -0.129 -10.794  -2.273
  117   1HG   LYS  16          1HG       LYS  16  -0.817 -11.029  -4.926
  118   2HG   LYS  16          2HG       LYS  16  -1.154 -12.689  -4.453
  119   1HD   LYS  16          1HD       LYS  16  -2.556 -10.126  -3.560
  120   2HD   LYS  16          2HD       LYS  16  -3.232 -11.611  -4.225
  121   1HE   LYS  16          1HE       LYS  16  -2.141 -11.365  -1.362
  122   2HE   LYS  16          2HE       LYS  16  -3.859 -11.409  -1.809
  123   1HZ   LYS  16          1HZ       LYS  16  -3.055 -13.590  -3.150
  124   2HZ   LYS  16          2HZ       LYS  16  -1.852 -13.666  -2.032
  125   3HZ   LYS  16          3HZ       LYS  16  -3.439 -13.737  -1.575
  126    H    ASN  17           H        ASN  17   0.771 -10.289  -5.687
  127    HA   ASN  17           HA       ASN  17   2.419 -12.120  -7.493
  128   1HB   ASN  17          1HB       ASN  17  -0.312 -10.851  -7.811
  129   2HB   ASN  17          2HB       ASN  17   0.635 -11.056  -9.260
  130   1HD2  ASN  17          1HD2      ASN  17  -0.667 -14.271  -9.599
  131   2HD2  ASN  17          2HD2      ASN  17  -0.455 -12.639 -10.314
  132    H    ALA  18           H        ALA  18   1.037  -9.137  -8.828
  133    HA   ALA  18           HA       ALA  18   1.775  -6.811  -8.698
  134   1HB   ALA  18          1HB       ALA  18   2.588  -7.372  -6.377
  135   2HB   ALA  18          2HB       ALA  18   4.105  -7.993  -7.064
  136   3HB   ALA  18          3HB       ALA  18   3.715  -6.272  -7.218
  137    H    ASP  19           H        ASP  19   2.068  -7.519 -11.127
  138    HA   ASP  19           HA       ASP  19   4.624  -7.276 -12.392
  139   1HB   ASP  19          1HB       ASP  19   1.875  -6.105 -13.131
  140   2HB   ASP  19          2HB       ASP  19   3.263  -5.944 -14.198
  141    H    GLY  20           H        GLY  20   3.367  -5.047 -10.153
  142   1HA   GLY  20          1HA       GLY  20   5.505  -3.112 -10.280
  143   2HA   GLY  20          2HA       GLY  20   4.205  -2.405 -11.247
  144    H    TYR  21           H        TYR  21   2.189  -3.757  -9.295
  145    HA   TYR  21           HA       TYR  21   2.099  -1.247  -7.506
  146   1HB   TYR  21          1HB       TYR  21  -0.321  -2.643  -8.816
  147   2HB   TYR  21          2HB       TYR  21  -0.393  -1.288  -7.729
  148    HD1  TYR  21           HD1      TYR  21   2.397  -1.118 -10.090
  149    HD2  TYR  21           HD2      TYR  21  -1.751  -0.118  -9.548
  150    HE1  TYR  21           HE1      TYR  21   2.524   0.469 -11.971
  151    HE2  TYR  21           HE2      TYR  21  -1.605   1.436 -11.468
  152    HH   TYR  21           HH       TYR  21   0.399   1.431 -13.721
  153    H    ILE  22           H        ILE  22   1.106  -1.475  -5.449
  154    HA   ILE  22           HA       ILE  22   0.348  -4.294  -4.508
  155    HB   ILE  22           HB       ILE  22   1.254  -1.870  -2.866
  156   1HG1  ILE  22          1HG1      ILE  22   2.636  -4.605  -3.302
  157   2HG1  ILE  22          2HG1      ILE  22   3.162  -3.081  -3.965
  158   1HG2  ILE  22          1HG2      ILE  22  -0.499  -3.162  -1.566
  159   2HG2  ILE  22          2HG2      ILE  22   0.411  -4.667  -1.797
  160   3HG2  ILE  22          3HG2      ILE  22   1.075  -3.341  -0.808
  161   1HD1  ILE  22          1HD1      ILE  22   3.560  -2.140  -1.631
  162   2HD1  ILE  22          2HD1      ILE  22   3.218  -3.759  -0.969
  163   3HD1  ILE  22          3HD1      ILE  22   4.594  -3.525  -2.066
  164    H    ASP  23           H        ASP  23  -1.694  -4.755  -4.061
  165    HA   ASP  23           HA       ASP  23  -3.679  -2.579  -4.842
  166   1HB   ASP  23          1HB       ASP  23  -5.009  -4.553  -5.792
  167   2HB   ASP  23          2HB       ASP  23  -3.440  -4.278  -6.537
  168    H    ILE  24           H        ILE  24  -6.075  -3.439  -4.320
  169    HA   ILE  24           HA       ILE  24  -6.377  -2.913  -1.368
  170    HB   ILE  24           HB       ILE  24  -7.923  -2.146  -3.466
  171   1HG1  ILE  24          1HG1      ILE  24  -8.608  -2.417  -0.503
  172   2HG1  ILE  24          2HG1      ILE  24  -8.319  -0.978  -1.442
  173   1HG2  ILE  24          1HG2      ILE  24  -8.837  -4.459  -3.970
  174   2HG2  ILE  24          2HG2      ILE  24  -9.480  -4.578  -2.320
  175   3HG2  ILE  24          3HG2      ILE  24 -10.133  -3.384  -3.471
  176   1HD1  ILE  24          1HD1      ILE  24 -10.539  -1.262  -2.657
  177   2HD1  ILE  24          2HD1      ILE  24 -10.924  -2.603  -1.549
  178   3HD1  ILE  24          3HD1      ILE  24 -10.681  -0.966  -0.904
  179    H    GLU  25           H        GLU  25  -6.508  -5.671  -3.507
  180    HA   GLU  25           HA       GLU  25  -7.552  -7.595  -1.455
  181   1HB   GLU  25          1HB       GLU  25  -7.054  -7.644  -4.314
  182   2HB   GLU  25          2HB       GLU  25  -6.275  -9.023  -3.601
  183   1HG   GLU  25          1HG       GLU  25  -9.195  -8.531  -2.812
  184   2HG   GLU  25          2HG       GLU  25  -8.881  -9.082  -4.447
  185    H    GLU  26           H        GLU  26  -4.413  -6.428  -2.372
  186    HA   GLU  26           HA       GLU  26  -2.799  -8.387  -0.778
  187   1HB   GLU  26          1HB       GLU  26  -2.121  -5.697  -2.025
  188   2HB   GLU  26          2HB       GLU  26  -1.000  -6.514  -0.979
  189   1HG   GLU  26          1HG       GLU  26  -1.240  -8.579  -2.683
  190   2HG   GLU  26          2HG       GLU  26  -1.960  -7.408  -3.772
  191    H    LEU  27           H        LEU  27  -4.397  -5.330  -0.102
  192    HA   LEU  27           HA       LEU  27  -2.719  -4.412   2.047
  193   1HB   LEU  27          1HB       LEU  27  -4.214  -2.959   0.754
  194   2HB   LEU  27          2HB       LEU  27  -5.640  -3.727   1.404
  195    HG   LEU  27           HG       LEU  27  -4.437  -1.373   2.375
  196   1HD1  LEU  27          1HD1      LEU  27  -6.841  -2.023   2.559
  197   2HD1  LEU  27          2HD1      LEU  27  -6.459  -3.212   3.837
  198   3HD1  LEU  27          3HD1      LEU  27  -6.207  -1.463   4.105
  199   1HD2  LEU  27          1HD2      LEU  27  -3.913  -3.621   4.461
  200   2HD2  LEU  27          2HD2      LEU  27  -2.665  -2.654   3.621
  201   3HD2  LEU  27          3HD2      LEU  27  -3.779  -1.862   4.740
  202    H    GLY  28           H        GLY  28  -6.039  -5.627   2.613
  203   1HA   GLY  28          1HA       GLY  28  -6.168  -5.918   5.481
  204   2HA   GLY  28          2HA       GLY  28  -6.922  -7.049   4.351
  205    H    GLU  29           H        GLU  29  -4.906  -8.383   3.203
  206    HA   GLU  29           HA       GLU  29  -4.240 -10.287   5.350
  207   1HB   GLU  29          1HB       GLU  29  -3.619 -10.394   2.366
  208   2HB   GLU  29          2HB       GLU  29  -3.263 -11.694   3.462
  209   1HG   GLU  29          1HG       GLU  29  -5.787 -11.106   2.088
  210   2HG   GLU  29          2HG       GLU  29  -5.360 -12.544   2.998
  211    H    ILE  30           H        ILE  30  -2.332  -7.840   3.826
  212    HA   ILE  30           HA       ILE  30   0.295  -8.463   5.128
  213    HB   ILE  30           HB       ILE  30  -0.955  -5.822   4.217
  214   1HG1  ILE  30          1HG1      ILE  30  -0.182  -7.021   2.257
  215   2HG1  ILE  30          2HG1      ILE  30   0.991  -5.773   2.577
  216   1HG2  ILE  30          1HG2      ILE  30   0.521  -5.320   6.198
  217   2HG2  ILE  30          2HG2      ILE  30   1.873  -6.198   5.437
  218   3HG2  ILE  30          3HG2      ILE  30   1.240  -4.689   4.720
  219   1HD1  ILE  30          1HD1      ILE  30   1.501  -8.731   3.318
  220   2HD1  ILE  30          2HD1      ILE  30   2.162  -7.833   1.935
  221   3HD1  ILE  30          3HD1      ILE  30   2.611  -7.362   3.586
  222    H    LEU  31           H        LEU  31  -2.119  -6.013   6.095
  223    HA   LEU  31           HA       LEU  31  -1.219  -5.558   8.760
  224   1HB   LEU  31          1HB       LEU  31  -4.211  -5.503   8.395
  225   2HB   LEU  31          2HB       LEU  31  -3.166  -4.344   9.179
  226    HG   LEU  31           HG       LEU  31  -3.750  -4.623   6.191
  227   1HD1  LEU  31          1HD1      LEU  31  -3.978  -2.287   8.206
  228   2HD1  LEU  31          2HD1      LEU  31  -4.325  -2.181   6.459
  229   3HD1  LEU  31          3HD1      LEU  31  -5.306  -3.236   7.482
  230   1HD2  LEU  31          1HD2      LEU  31  -1.445  -2.969   7.450
  231   2HD2  LEU  31          2HD2      LEU  31  -1.287  -4.283   6.251
  232   3HD2  LEU  31          3HD2      LEU  31  -2.056  -2.762   5.787
  233    H    ARG  32           H        ARG  32  -3.369  -8.158   7.738
  234    HA   ARG  32           HA       ARG  32  -3.853  -9.011  10.621
  235   1HB   ARG  32          1HB       ARG  32  -5.983  -9.356   9.906
  236   2HB   ARG  32          2HB       ARG  32  -5.507  -8.337   8.549
  237   1HG   ARG  32          1HG       ARG  32  -6.231 -10.078   7.218
  238   2HG   ARG  32          2HG       ARG  32  -4.738 -10.915   7.685
  239   1HD   ARG  32          1HD       ARG  32  -6.033 -11.776   9.808
  240   2HD   ARG  32          2HD       ARG  32  -7.516 -11.173   9.036
  241    HE   ARG  32           HE       ARG  32  -5.874 -12.886   7.195
  242   1HH1  ARG  32          2HH1      ARG  32  -8.353 -13.018   9.626
  243   2HH1  ARG  32          1HH1      ARG  32  -8.948 -14.642   9.037
  244   1HH2  ARG  32          1HH2      ARG  32  -6.584 -14.705   6.549
  245   2HH2  ARG  32          2HH2      ARG  32  -7.986 -15.528   7.373
  246    H    ALA  33           H        ALA  33  -2.448 -10.243   7.637
  247    HA   ALA  33           HA       ALA  33  -1.741 -12.887   9.005
  248   1HB   ALA  33          1HB       ALA  33  -3.325 -13.020   7.089
  249   2HB   ALA  33          2HB       ALA  33  -2.151 -12.208   6.017
  250   3HB   ALA  33          3HB       ALA  33  -1.798 -13.819   6.680
  251    H    THR  34           H        THR  34   0.172 -14.034   8.081
  252    HA   THR  34           HA       THR  34   2.579 -12.249   8.344
  253    HB   THR  34           HB       THR  34   3.738 -14.669   8.459
  254    HG1  THR  34           HG1      THR  34   1.387 -15.389   9.705
  255   1HG2  THR  34          2HG2      THR  34   3.463 -12.943  10.357
  256   2HG2  THR  34          3HG2      THR  34   1.880 -13.673  10.734
  257   3HG2  THR  34          1HG2      THR  34   3.360 -14.630  10.923
  258    H    GLY  35           H        GLY  35   1.185 -14.413   5.916
  259   1HA   GLY  35          1HA       GLY  35   3.548 -13.990   3.991
  260   2HA   GLY  35          2HA       GLY  35   3.102 -15.635   4.461
  261   1HN   NH2  36          1HN       NH2  36   3.229 -14.828   1.734
  262   2HN   NH2  36          2HN       NH2  36   1.584 -14.888   1.048
  263   1H    ACE  37          1HH3      ACE  37 -11.827  -6.933  14.124
  264   2H    ACE  37          2HH3      ACE  37 -11.297  -8.604  13.727
  265   3H    ACE  37          3HH3      ACE  37 -10.173  -7.471  14.521
  266    H    VAL  38           H        VAL  38 -11.944  -8.053  11.494
  267    HA   VAL  38           HA       VAL  38 -10.810  -5.560  10.207
  268    HB   VAL  38           HB       VAL  38 -10.380  -7.280   8.082
  269   1HG1  VAL  38          1HG1      VAL  38  -8.286  -6.239  10.126
  270   2HG1  VAL  38          2HG1      VAL  38  -7.878  -6.887   8.521
  271   3HG1  VAL  38          3HG1      VAL  38  -8.836  -5.409   8.659
  272   1HG2  VAL  38          1HG2      VAL  38 -10.451  -9.367   9.517
  273   2HG2  VAL  38          2HG2      VAL  38  -8.814  -9.096   8.881
  274   3HG2  VAL  38          3HG2      VAL  38  -9.192  -8.689  10.573
  275    H    THR  39           H        THR  39 -12.016  -4.935   8.362
  276    HA   THR  39           HA       THR  39 -14.422  -6.509   7.505
  277    HB   THR  39           HB       THR  39 -16.174  -5.054   8.038
  278    HG1  THR  39           HG1      THR  39 -14.562  -3.038   9.113
  279   1HG2  THR  39          2HG2      THR  39 -14.207  -4.758  10.417
  280   2HG2  THR  39          3HG2      THR  39 -15.969  -4.512  10.501
  281   3HG2  THR  39          1HG2      THR  39 -15.314  -6.123  10.142
  282    H    GLU  40           H        GLU  40 -15.528  -5.305   5.654
  283    HA   GLU  40           HA       GLU  40 -13.623  -4.362   3.566
  284   1HB   GLU  40          1HB       GLU  40 -16.652  -4.108   3.445
  285   2HB   GLU  40          2HB       GLU  40 -15.535  -4.085   2.116
  286   1HG   GLU  40          1HG       GLU  40 -15.404  -6.661   3.681
  287   2HG   GLU  40          2HG       GLU  40 -16.993  -6.343   3.012
  288    H    GLU  41           H        GLU  41 -16.306  -2.609   5.152
  289    HA   GLU  41           HA       GLU  41 -15.676  -0.079   3.975
  290   1HB   GLU  41          1HB       GLU  41 -17.585  -1.055   6.010
  291   2HB   GLU  41          2HB       GLU  41 -17.179   0.618   6.242
  292   1HG   GLU  41          1HG       GLU  41 -17.796   0.859   3.609
  293   2HG   GLU  41          2HG       GLU  41 -18.628  -0.666   3.850
  294    H    ASP  42           H        ASP  42 -14.306  -1.336   6.955
  295    HA   ASP  42           HA       ASP  42 -12.854   1.158   7.601
  296   1HB   ASP  42          1HB       ASP  42 -12.801  -1.728   8.604
  297   2HB   ASP  42          2HB       ASP  42 -11.512  -0.640   9.098
  298    H    ILE  43           H        ILE  43 -11.957  -1.710   5.748
  299    HA   ILE  43           HA       ILE  43  -9.177  -0.815   5.018
  300    HB   ILE  43           HB       ILE  43 -11.042  -2.954   3.912
  301   1HG1  ILE  43          1HG1      ILE  43  -9.012  -4.475   4.347
  302   2HG1  ILE  43          2HG1      ILE  43  -8.180  -3.121   5.062
  303   1HG2  ILE  43          1HG2      ILE  43  -9.973  -1.945   1.858
  304   2HG2  ILE  43          2HG2      ILE  43  -8.362  -2.108   2.583
  305   3HG2  ILE  43          3HG2      ILE  43  -9.313  -3.549   2.143
  306   1HD1  ILE  43          1HD1      ILE  43  -9.942  -2.890   6.865
  307   2HD1  ILE  43          2HD1      ILE  43 -10.734  -4.365   6.250
  308   3HD1  ILE  43          3HD1      ILE  43  -9.078  -4.444   6.888
  309    H    GLU  44           H        GLU  44 -12.445  -0.361   3.732
  310    HA   GLU  44           HA       GLU  44 -11.610   1.033   1.213
  311   1HB   GLU  44          1HB       GLU  44 -13.641   0.519   0.561
  312   2HB   GLU  44          2HB       GLU  44 -13.984  -0.192   2.108
  313   1HG   GLU  44          1HG       GLU  44 -15.748   1.298   2.210
  314   2HG   GLU  44          2HG       GLU  44 -14.571   2.525   2.640
  315    H    ASP  45           H        ASP  45 -12.539   2.038   4.451
  316    HA   ASP  45           HA       ASP  45 -12.517   4.999   3.924
  317   1HB   ASP  45          1HB       ASP  45 -12.770   3.214   6.391
  318   2HB   ASP  45          2HB       ASP  45 -12.344   4.905   6.618
  319    H    LEU  46           H        LEU  46 -10.194   2.590   5.058
  320    HA   LEU  46           HA       LEU  46  -7.951   4.431   5.719
  321   1HB   LEU  46          1HB       LEU  46  -8.189   2.079   6.524
  322   2HB   LEU  46          2HB       LEU  46  -7.924   1.461   4.911
  323    HG   LEU  46           HG       LEU  46  -5.912   1.320   6.517
  324   1HD1  LEU  46          1HD1      LEU  46  -5.953   1.498   3.770
  325   2HD1  LEU  46          2HD1      LEU  46  -4.938   2.915   4.163
  326   3HD1  LEU  46          3HD1      LEU  46  -4.454   1.309   4.726
  327   1HD2  LEU  46          1HD2      LEU  46  -6.193   3.797   7.387
  328   2HD2  LEU  46          2HD2      LEU  46  -4.540   3.252   6.977
  329   3HD2  LEU  46          3HD2      LEU  46  -5.427   4.275   5.844
  330    H    MET  47           H        MET  47  -8.456   2.524   2.740
  331    HA   MET  47           HA       MET  47  -6.269   3.677   1.238
  332   1HB   MET  47          1HB       MET  47  -8.860   2.336   0.273
  333   2HB   MET  47          2HB       MET  47  -7.594   2.850  -0.830
  334   1HG   MET  47          1HG       MET  47  -6.985   0.907   1.486
  335   2HG   MET  47          2HG       MET  47  -7.482   0.376  -0.130
  336   1HE   MET  47          1HE       MET  47  -6.317   0.804  -2.315
  337   2HE   MET  47          2HE       MET  47  -6.223   2.570  -2.057
  338   3HE   MET  47          3HE       MET  47  -4.751   1.665  -2.515
  339    H    LYS  48           H        LYS  48  -9.697   4.696   1.302
  340    HA   LYS  48           HA       LYS  48  -9.505   6.837  -0.792
  341   1HB   LYS  48          1HB       LYS  48 -11.526   5.459   0.633
  342   2HB   LYS  48          2HB       LYS  48 -11.697   7.076   1.240
  343   1HG   LYS  48          1HG       LYS  48 -12.182   7.954  -1.056
  344   2HG   LYS  48          2HG       LYS  48 -11.557   6.517  -1.801
  345   1HD   LYS  48          1HD       LYS  48 -13.412   5.142  -1.274
  346   2HD   LYS  48          2HD       LYS  48 -14.010   6.135   0.013
  347   1HE   LYS  48          1HE       LYS  48 -15.584   6.680  -1.687
  348   2HE   LYS  48          2HE       LYS  48 -14.412   7.949  -1.996
  349   1HZ   LYS  48          1HZ       LYS  48 -13.325   5.929  -3.488
  350   2HZ   LYS  48          2HZ       LYS  48 -14.840   5.499  -3.658
  351   3HZ   LYS  48          3HZ       LYS  48 -14.358   7.007  -4.145
  352    H    ASP  49           H        ASP  49  -8.705   6.571   2.580
  353    HA   ASP  49           HA       ASP  49  -8.374   9.526   3.110
  354   1HB   ASP  49          1HB       ASP  49  -8.757   7.736   4.932
  355   2HB   ASP  49          2HB       ASP  49  -7.103   7.196   4.679
  356    H    SER  50           H        SER  50  -6.138   6.865   2.151
  357    HA   SER  50           HA       SER  50  -3.681   8.547   2.566
  358   1HB   SER  50          1HB       SER  50  -2.492   6.516   1.576
  359   2HB   SER  50          2HB       SER  50  -3.447   6.168   3.014
  360    HG   SER  50           HG       SER  50  -3.606   4.787   1.000
  361    H    ASP  51           H        ASP  51  -5.806   7.763  -0.102
  362    HA   ASP  51           HA       ASP  51  -3.724   7.905  -2.192
  363   1HB   ASP  51          1HB       ASP  51  -5.817   6.336  -1.994
  364   2HB   ASP  51          2HB       ASP  51  -6.754   7.656  -2.681
  365    H    LYS  52           H        LYS  52  -3.122   9.439  -3.517
  366    HA   LYS  52           HA       LYS  52  -4.460  12.109  -3.929
  367   1HB   LYS  52          1HB       LYS  52  -2.339  10.597  -5.545
  368   2HB   LYS  52          2HB       LYS  52  -2.821  12.224  -5.912
  369   1HG   LYS  52          1HG       LYS  52  -0.824  11.232  -3.952
  370   2HG   LYS  52          2HG       LYS  52  -1.025  12.835  -4.586
  371   1HD   LYS  52          1HD       LYS  52  -2.977  11.954  -2.423
  372   2HD   LYS  52          2HD       LYS  52  -1.372  12.352  -1.907
  373   1HE   LYS  52          1HE       LYS  52  -3.347  14.241  -3.427
  374   2HE   LYS  52          2HE       LYS  52  -2.972  14.302  -1.706
  375   1HZ   LYS  52          1HZ       LYS  52  -0.708  14.545  -3.687
  376   2HZ   LYS  52          2HZ       LYS  52  -1.556  15.851  -3.398
  377   3HZ   LYS  52          3HZ       LYS  52  -0.727  15.124  -2.162
  378    H    ASN  53           H        ASN  53  -3.769  10.029  -6.660
  379    HA   ASN  53           HA       ASN  53  -5.893  11.337  -8.093
  380   1HB   ASN  53          1HB       ASN  53  -5.107  10.095 -10.062
  381   2HB   ASN  53          2HB       ASN  53  -3.722  10.489  -9.082
  382   1HD2  ASN  53          1HD2      ASN  53  -4.286   6.679 -10.044
  383   2HD2  ASN  53          2HD2      ASN  53  -5.189   8.068 -10.798
  384    H    ASN  54           H        ASN  54  -6.236   8.525  -6.193
  385    HA   ASN  54           HA       ASN  54  -8.242   7.372  -5.531
  386   1HB   ASN  54          1HB       ASN  54  -9.383   9.787  -7.071
  387   2HB   ASN  54          2HB       ASN  54 -10.460   8.537  -6.512
  388   1HD2  ASN  54          1HD2      ASN  54  -9.477   9.450  -2.993
  389   2HD2  ASN  54          2HD2      ASN  54  -9.319   7.940  -3.998
  390    H    ASP  55           H        ASP  55  -6.782   6.477  -7.853
  391    HA   ASP  55           HA       ASP  55  -8.804   4.823  -9.385
  392   1HB   ASP  55          1HB       ASP  55  -6.256   5.478 -10.013
  393   2HB   ASP  55          2HB       ASP  55  -5.869   4.029  -9.096
  394    H    GLY  56           H        GLY  56  -7.086   4.645  -6.311
  395   1HA   GLY  56          1HA       GLY  56  -7.432   3.094  -4.459
  396   2HA   GLY  56          2HA       GLY  56  -8.519   2.156  -5.490
  397    H    ARG  57           H        ARG  57  -5.359   2.712  -6.764
  398    HA   ARG  57           HA       ARG  57  -4.222   0.142  -5.592
  399   1HB   ARG  57          1HB       ARG  57  -4.225   0.754  -8.609
  400   2HB   ARG  57          2HB       ARG  57  -3.365  -0.584  -7.848
  401   1HG   ARG  57          1HG       ARG  57  -5.441  -1.710  -7.222
  402   2HG   ARG  57          2HG       ARG  57  -6.410  -0.256  -7.448
  403   1HD   ARG  57          1HD       ARG  57  -5.571  -0.452 -10.027
  404   2HD   ARG  57          2HD       ARG  57  -5.203  -2.114  -9.569
  405    HE   ARG  57           HE       ARG  57  -7.944  -1.286  -8.624
  406   1HH1  ARG  57          2HH1      ARG  57  -6.240  -2.841 -11.210
  407   2HH1  ARG  57          1HH1      ARG  57  -7.810  -3.494 -11.916
  408   1HH2  ARG  57          1HH2      ARG  57  -9.588  -2.180  -9.300
  409   2HH2  ARG  57          2HH2      ARG  57  -9.614  -3.213 -10.813
  410    H    ILE  58           H        ILE  58  -2.088   0.134  -5.182
  411    HA   ILE  58           HA       ILE  58  -0.992   2.959  -4.956
  412    HB   ILE  58           HB       ILE  58  -0.781   0.536  -3.105
  413   1HG1  ILE  58          1HG1      ILE  58  -2.084   3.314  -2.710
  414   2HG1  ILE  58          2HG1      ILE  58  -2.933   1.812  -2.943
  415   1HG2  ILE  58          1HG2      ILE  58   1.441   1.750  -3.016
  416   2HG2  ILE  58          2HG2      ILE  58   0.610   3.282  -2.680
  417   3HG2  ILE  58          3HG2      ILE  58   0.567   1.950  -1.501
  418   1HD1  ILE  58          1HD1      ILE  58  -2.024   0.870  -0.772
  419   2HD1  ILE  58          2HD1      ILE  58  -1.256   2.444  -0.441
  420   3HD1  ILE  58          3HD1      ILE  58  -3.025   2.329  -0.568
  421    H    ASP  59           H        ASP  59   0.533   3.303  -6.505
  422    HA   ASP  59           HA       ASP  59   2.840   1.436  -6.866
  423   1HB   ASP  59          1HB       ASP  59   3.533   3.006  -8.648
  424   2HB   ASP  59          2HB       ASP  59   1.813   2.664  -8.778
  425    H    PHE  60           H        PHE  60   5.162   2.594  -6.966
  426    HA   PHE  60           HA       PHE  60   5.858   2.149  -4.135
  427   1HB   PHE  60          1HB       PHE  60   7.265   1.618  -6.241
  428   2HB   PHE  60          2HB       PHE  60   7.675   3.298  -6.335
  429    HD1  PHE  60           HD1      PHE  60   9.202   4.383  -4.696
  430    HD2  PHE  60           HD2      PHE  60   8.383   0.172  -4.487
  431    HE1  PHE  60           HE1      PHE  60  11.131   4.084  -3.217
  432    HE2  PHE  60           HE2      PHE  60  10.333  -0.124  -3.005
  433    HZ   PHE  60           HZ       PHE  60  11.723   1.831  -2.379
  434    H    ASP  61           H        ASP  61   5.334   5.093  -5.951
  435    HA   ASP  61           HA       ASP  61   6.431   7.165  -4.139
  436   1HB   ASP  61          1HB       ASP  61   5.683   8.073  -6.199
  437   2HB   ASP  61          2HB       ASP  61   4.336   6.961  -6.350
  438    H    GLU  62           H        GLU  62   3.045   6.682  -4.646
  439    HA   GLU  62           HA       GLU  62   1.839   7.281  -2.066
  440   1HB   GLU  62          1HB       GLU  62  -0.092   5.881  -2.799
  441   2HB   GLU  62          2HB       GLU  62   0.389   7.159  -3.878
  442   1HG   GLU  62          1HG       GLU  62   1.615   5.269  -5.301
  443   2HG   GLU  62          2HG       GLU  62   0.709   4.121  -4.332
  444    H    PHE  63           H        PHE  63   3.850   4.486  -2.672
  445    HA   PHE  63           HA       PHE  63   3.013   2.975  -0.194
  446   1HB   PHE  63          1HB       PHE  63   4.409   2.069  -2.216
  447   2HB   PHE  63          2HB       PHE  63   5.763   2.929  -1.563
  448    HD1  PHE  63           HD1      PHE  63   3.171   0.566  -0.096
  449    HD2  PHE  63           HD2      PHE  63   7.322   1.681  -0.305
  450    HE1  PHE  63           HE1      PHE  63   3.720  -1.153   1.537
  451    HE2  PHE  63           HE2      PHE  63   7.856  -0.067   1.336
  452    HZ   PHE  63           HZ       PHE  63   6.067  -1.520   2.234
  453    H    LEU  64           H        LEU  64   5.905   4.951  -0.914
  454    HA   LEU  64           HA       LEU  64   6.924   5.442   1.700
  455   1HB   LEU  64          1HB       LEU  64   6.910   7.243  -0.770
  456   2HB   LEU  64          2HB       LEU  64   7.735   7.734   0.688
  457    HG   LEU  64           HG       LEU  64   8.392   5.044  -0.635
  458   1HD1  LEU  64          1HD1      LEU  64   9.537   7.821  -1.392
  459   2HD1  LEU  64          2HD1      LEU  64  10.254   6.259  -1.871
  460   3HD1  LEU  64          3HD1      LEU  64   8.632   6.682  -2.427
  461   1HD2  LEU  64          1HD2      LEU  64  10.036   6.954   1.187
  462   2HD2  LEU  64          2HD2      LEU  64   9.405   5.338   1.619
  463   3HD2  LEU  64          3HD2      LEU  64  10.681   5.489   0.404
  464    H    LYS  65           H        LYS  65   4.201   7.199   0.222
  465    HA   LYS  65           HA       LYS  65   3.693   8.798   2.730
  466   1HB   LYS  65          1HB       LYS  65   2.533   8.500  -0.081
  467   2HB   LYS  65          2HB       LYS  65   1.678   9.484   1.091
  468   1HG   LYS  65          1HG       LYS  65   4.293  10.571   1.188
  469   2HG   LYS  65          2HG       LYS  65   4.201   9.991  -0.486
  470   1HD   LYS  65          1HD       LYS  65   1.641  11.179   0.092
  471   2HD   LYS  65          2HD       LYS  65   2.827  12.330   0.716
  472   1HE   LYS  65          1HE       LYS  65   3.774  11.646  -1.923
  473   2HE   LYS  65          2HE       LYS  65   2.008  11.638  -2.084
  474   1HZ   LYS  65          1HZ       LYS  65   3.128  13.947  -0.531
  475   2HZ   LYS  65          2HZ       LYS  65   3.338  14.011  -2.165
  476   3HZ   LYS  65          3HZ       LYS  65   1.850  13.918  -1.506
  477    H    MET  66           H        MET  66   2.333   5.870   1.205
  478    HA   MET  66           HA       MET  66   0.217   5.378   3.120
  479   1HB   MET  66          1HB       MET  66   0.225   4.145   1.061
  480   2HB   MET  66          2HB       MET  66   1.867   3.581   1.283
  481   1HG   MET  66          1HG       MET  66   1.091   2.133   3.267
  482   2HG   MET  66          2HG       MET  66  -0.582   2.553   2.852
  483   1HE   MET  66          1HE       MET  66   1.376  -0.257   2.875
  484   2HE   MET  66          2HE       MET  66   1.835  -0.791   1.231
  485   3HE   MET  66          3HE       MET  66   2.644   0.625   1.969
  486    H    MET  67           H        MET  67   3.626   5.028   3.616
  487    HA   MET  67           HA       MET  67   3.214   3.521   6.254
  488   1HB   MET  67          1HB       MET  67   4.855   2.370   4.969
  489   2HB   MET  67          2HB       MET  67   5.538   3.844   4.311
  490   1HG   MET  67          1HG       MET  67   7.057   4.117   6.016
  491   2HG   MET  67          2HG       MET  67   5.895   3.691   7.287
  492   1HE   MET  67          1HE       MET  67   7.153   2.409   4.060
  493   2HE   MET  67          2HE       MET  67   8.439   1.244   4.498
  494   3HE   MET  67          3HE       MET  67   6.764   0.668   4.219
  495    H    GLU  68           H        GLU  68   4.539   6.524   4.928
  496    HA   GLU  68           HA       GLU  68   4.496   7.768   7.658
  497   1HB   GLU  68          1HB       GLU  68   6.907   6.814   6.965
  498   2HB   GLU  68          2HB       GLU  68   7.051   8.339   6.145
  499   1HG   GLU  68          1HG       GLU  68   7.907   8.022   8.695
  500   2HG   GLU  68          2HG       GLU  68   7.276   9.568   8.158
  501    H    GLY  69           H        GLY  69   2.805   8.082   5.445
  502   1HA   GLY  69          1HA       GLY  69   2.490  10.487   4.002
  503   2HA   GLY  69          2HA       GLY  69   1.314   9.985   5.222
  504    H    VAL  70           H        VAL  70   3.991  12.221   4.606
  505    HA   VAL  70           HA       VAL  70   3.189  13.911   6.946
  506    HB   VAL  70           HB       VAL  70   4.857  14.637   4.475
  507   1HG1  VAL  70          1HG1      VAL  70   4.498  16.200   7.133
  508   2HG1  VAL  70          2HG1      VAL  70   5.697  16.589   5.872
  509   3HG1  VAL  70          3HG1      VAL  70   3.974  16.736   5.518
  510   1HG2  VAL  70          1HG2      VAL  70   5.977  12.881   5.908
  511   2HG2  VAL  70          2HG2      VAL  70   6.853  14.402   5.975
  512   3HG2  VAL  70          3HG2      VAL  70   5.813  13.912   7.346
  513    H    GLN  71           H        GLN  71   1.076  14.540   6.954
  514    HA   GLN  71           HA       GLN  71  -0.780  15.350   5.150
  515   1HB   GLN  71          1HB       GLN  71   0.038  16.546   7.786
  516   2HB   GLN  71          2HB       GLN  71  -1.071  17.515   6.819
  517   1HG   GLN  71          1HG       GLN  71  -2.729  15.670   6.755
  518   2HG   GLN  71          2HG       GLN  71  -1.605  14.513   7.441
  519   1HE2  GLN  71          1HE2      GLN  71  -3.325  15.187  10.461
  520   2HE2  GLN  71          2HE2      GLN  71  -2.907  13.993   9.113
  521   1HN   NH2  72          1HN       NH2  72  -1.292  16.947   3.585
  522   2HN   NH2  72          2HN       NH2  72  -0.090  18.115   2.974
   
  No H/Q in entry =         522
  Start of MODEL   10
    1   1H    ACE   1          1HH3      ACE   1  19.647  11.130   5.783
    2   2H    ACE   1          2HH3      ACE   1  19.611   9.494   6.533
    3   3H    ACE   1          3HH3      ACE   1  21.109  10.119   5.785
    4    H    LYS   2           H        LYS   2  17.721   9.220   4.865
    5    HA   LYS   2           HA       LYS   2  16.691   9.330   2.677
    6   1HB   LYS   2          1HB       LYS   2  17.779  11.175   1.810
    7   2HB   LYS   2          2HB       LYS   2  19.400  10.546   2.011
    8   1HG   LYS   2          1HG       LYS   2  19.238   9.266  -0.097
    9   2HG   LYS   2          2HG       LYS   2  17.494   9.241  -0.045
   10   1HD   LYS   2          1HD       LYS   2  18.605  10.802  -1.811
   11   2HD   LYS   2          2HD       LYS   2  17.285  11.505  -0.873
   12   1HE   LYS   2          1HE       LYS   2  18.893  12.575   0.719
   13   2HE   LYS   2          2HE       LYS   2  20.288  11.875  -0.122
   14   1HZ   LYS   2          1HZ       LYS   2  18.370  13.458  -1.834
   15   2HZ   LYS   2          2HZ       LYS   2  19.469  14.305  -0.919
   16   3HZ   LYS   2          3HZ       LYS   2  19.904  13.221  -2.038
   17    H    SER   3           H        SER   3  16.402   7.053   3.052
   18    HA   SER   3           HA       SER   3  18.032   5.346   1.102
   19   1HB   SER   3          1HB       SER   3  17.571   4.947   3.747
   20   2HB   SER   3          2HB       SER   3  16.156   4.113   3.151
   21    HG   SER   3           HG       SER   3  17.561   2.547   3.012
   22    H    GLU   4           H        GLU   4  17.178   4.433  -0.622
   23    HA   GLU   4           HA       GLU   4  14.152   4.153  -0.869
   24   1HB   GLU   4          1HB       GLU   4  15.971   5.045  -3.089
   25   2HB   GLU   4          2HB       GLU   4  14.628   3.981  -3.431
   26   1HG   GLU   4          1HG       GLU   4  13.548   6.023  -3.837
   27   2HG   GLU   4          2HG       GLU   4  13.213   5.954  -2.111
   28    H    GLU   5           H        GLU   5  17.289   2.625  -1.560
   29    HA   GLU   5           HA       GLU   5  16.844   0.054  -2.184
   30   1HB   GLU   5          1HB       GLU   5  18.994   0.473  -1.503
   31   2HB   GLU   5          2HB       GLU   5  18.549   1.150   0.034
   32   1HG   GLU   5          1HG       GLU   5  18.514  -0.969   1.130
   33   2HG   GLU   5          2HG       GLU   5  18.059  -1.855  -0.313
   34    H    GLU   6           H        GLU   6  16.076   0.911   1.210
   35    HA   GLU   6           HA       GLU   6  15.041  -1.738   1.883
   36   1HB   GLU   6          1HB       GLU   6  15.950   0.352   3.335
   37   2HB   GLU   6          2HB       GLU   6  14.251   0.618   3.587
   38   1HG   GLU   6          1HG       GLU   6  13.990  -1.330   4.939
   39   2HG   GLU   6          2HG       GLU   6  15.270  -2.220   4.135
   40    H    LEU   7           H        LEU   7  13.251   1.195   0.971
   41    HA   LEU   7           HA       LEU   7  10.500   0.115   1.571
   42   1HB   LEU   7          1HB       LEU   7  11.419   2.529  -0.086
   43   2HB   LEU   7          2HB       LEU   7   9.744   2.136   0.216
   44    HG   LEU   7           HG       LEU   7  11.475   3.765   1.810
   45   1HD1  LEU   7          1HD1      LEU   7   9.059   4.166   1.371
   46   2HD1  LEU   7          2HD1      LEU   7   8.601   2.753   2.355
   47   3HD1  LEU   7          3HD1      LEU   7   9.375   4.169   3.112
   48   1HD2  LEU   7          1HD2      LEU   7  10.582   1.228   3.372
   49   2HD2  LEU   7          2HD2      LEU   7  12.256   1.789   3.114
   50   3HD2  LEU   7          3HD2      LEU   7  11.160   2.742   4.117
   51    H    ALA   8           H        ALA   8  12.454   0.511  -1.412
   52    HA   ALA   8           HA       ALA   8  10.696  -0.889  -3.218
   53   1HB   ALA   8          1HB       ALA   8  13.775  -0.573  -3.263
   54   2HB   ALA   8          2HB       ALA   8  12.777  -1.059  -4.648
   55   3HB   ALA   8          3HB       ALA   8  12.574   0.549  -3.944
   56    H    ASN   9           H        ASN   9  13.678  -2.429  -1.836
   57    HA   ASN   9           HA       ASN   9  13.235  -5.162  -2.008
   58   1HB   ASN   9          1HB       ASN   9  13.903  -3.710   0.648
   59   2HB   ASN   9          2HB       ASN   9  14.191  -5.399   0.333
   60   1HD2  ASN   9          1HD2      ASN   9  16.805  -4.271  -2.174
   61   2HD2  ASN   9          2HD2      ASN   9  15.198  -5.101  -2.377
   62    H    ALA  10           H        ALA  10  11.460  -3.198   0.398
   63    HA   ALA  10           HA       ALA  10   9.676  -5.391   1.340
   64   1HB   ALA  10          1HB       ALA  10  10.366  -3.433   2.735
   65   2HB   ALA  10          2HB       ALA  10   9.462  -2.319   1.676
   66   3HB   ALA  10          3HB       ALA  10   8.598  -3.544   2.631
   67    H    PHE  11           H        PHE  11   9.153  -2.672  -0.924
   68    HA   PHE  11           HA       PHE  11   6.350  -3.151  -1.501
   69   1HB   PHE  11          1HB       PHE  11   7.550  -1.019  -1.939
   70   2HB   PHE  11          2HB       PHE  11   8.508  -1.762  -3.175
   71    HD1  PHE  11           HD1      PHE  11   4.879  -0.920  -2.436
   72    HD2  PHE  11           HD2      PHE  11   7.841  -1.723  -5.452
   73    HE1  PHE  11           HE1      PHE  11   3.330  -0.139  -4.184
   74    HE2  PHE  11           HE2      PHE  11   6.264  -0.977  -7.186
   75    HZ   PHE  11           HZ       PHE  11   4.040  -0.128  -6.556
   76    H    ARG  12           H        ARG  12   9.192  -4.391  -3.301
   77    HA   ARG  12           HA       ARG  12   7.594  -6.140  -5.036
   78   1HB   ARG  12          1HB       ARG  12   9.722  -7.149  -5.733
   79   2HB   ARG  12          2HB       ARG  12   9.839  -5.394  -5.700
   80   1HG   ARG  12          1HG       ARG  12  11.860  -5.907  -4.649
   81   2HG   ARG  12          2HG       ARG  12  10.845  -5.816  -3.204
   82   1HD   ARG  12          1HD       ARG  12  11.611  -7.927  -2.708
   83   2HD   ARG  12          2HD       ARG  12  10.481  -8.506  -3.963
   84    HE   ARG  12           HE       ARG  12  12.404  -8.275  -5.670
   85   1HH1  ARG  12          2HH1      ARG  12  13.278  -8.415  -2.320
   86   2HH1  ARG  12          1HH1      ARG  12  14.948  -9.060  -2.698
   87   1HH2  ARG  12          1HH2      ARG  12  14.276  -8.984  -6.073
   88   2HH2  ARG  12          2HH2      ARG  12  15.476  -9.350  -4.750
   89    H    ILE  13           H        ILE  13   8.991  -6.687  -1.829
   90    HA   ILE  13           HA       ILE  13   8.939  -9.674  -1.914
   91    HB   ILE  13           HB       ILE  13   9.436  -7.643   0.306
   92   1HG1  ILE  13          1HG1      ILE  13  11.297  -8.438  -1.437
   93   2HG1  ILE  13          2HG1      ILE  13  11.691  -8.229   0.248
   94   1HG2  ILE  13          1HG2      ILE  13   8.183  -9.526   1.430
   95   2HG2  ILE  13          2HG2      ILE  13   9.298 -10.721   0.726
   96   3HG2  ILE  13          3HG2      ILE  13   9.863  -9.550   1.935
   97   1HD1  ILE  13          1HD1      ILE  13  11.483 -10.694   0.707
   98   2HD1  ILE  13          2HD1      ILE  13  11.142 -10.980  -1.018
   99   3HD1  ILE  13          3HD1      ILE  13  12.712 -10.319  -0.522
  100    H    PHE  14           H        PHE  14   6.749  -7.148  -0.815
  101    HA   PHE  14           HA       PHE  14   4.644  -8.816   0.510
  102   1HB   PHE  14          1HB       PHE  14   4.668  -6.034  -0.811
  103   2HB   PHE  14          2HB       PHE  14   3.173  -6.766  -0.328
  104    HD1  PHE  14           HD1      PHE  14   4.031  -8.094   2.321
  105    HD2  PHE  14           HD2      PHE  14   4.851  -4.202   0.701
  106    HE1  PHE  14           HE1      PHE  14   4.255  -7.190   4.601
  107    HE2  PHE  14           HE2      PHE  14   5.096  -3.308   2.983
  108    HZ   PHE  14           HZ       PHE  14   4.789  -4.802   4.941
  109    H    ASP  15           H        ASP  15   5.082  -7.541  -2.801
  110    HA   ASP  15           HA       ASP  15   2.592  -8.740  -3.809
  111   1HB   ASP  15          1HB       ASP  15   3.531  -6.515  -4.497
  112   2HB   ASP  15          2HB       ASP  15   4.881  -7.302  -5.299
  113    H    LYS  16           H        LYS  16   2.523 -10.022  -5.957
  114    HA   LYS  16           HA       LYS  16   4.344 -12.409  -5.693
  115   1HB   LYS  16          1HB       LYS  16   1.294 -12.699  -5.356
  116   2HB   LYS  16          2HB       LYS  16   2.384 -14.041  -5.567
  117   1HG   LYS  16          1HG       LYS  16   3.405 -13.614  -3.326
  118   2HG   LYS  16          2HG       LYS  16   2.611 -12.049  -3.210
  119   1HD   LYS  16          1HD       LYS  16   1.336 -14.835  -2.978
  120   2HD   LYS  16          2HD       LYS  16   1.400 -13.541  -1.784
  121   1HE   LYS  16          1HE       LYS  16  -0.122 -12.912  -4.331
  122   2HE   LYS  16          2HE       LYS  16  -0.896 -14.004  -3.164
  123   1HZ   LYS  16          1HZ       LYS  16   0.118 -12.018  -1.483
  124   2HZ   LYS  16          2HZ       LYS  16  -0.261 -11.130  -2.824
  125   3HZ   LYS  16          3HZ       LYS  16  -1.409 -12.021  -2.091
  126    H    ASN  17           H        ASN  17   3.249 -10.203  -7.704
  127    HA   ASN  17           HA       ASN  17   2.804 -11.717 -10.219
  128   1HB   ASN  17          1HB       ASN  17   0.821 -12.185  -8.443
  129   2HB   ASN  17          2HB       ASN  17   0.178 -10.694  -9.079
  130   1HD2  ASN  17          1HD2      ASN  17   0.286 -13.550 -11.945
  131   2HD2  ASN  17          2HD2      ASN  17   1.820 -12.860 -11.323
  132    H    ALA  18           H        ALA  18   3.993 -10.042 -11.168
  133    HA   ALA  18           HA       ALA  18   4.671  -7.830 -11.883
  134   1HB   ALA  18          1HB       ALA  18   2.345  -7.705 -12.853
  135   2HB   ALA  18          2HB       ALA  18   1.732  -7.119 -11.290
  136   3HB   ALA  18          3HB       ALA  18   2.874  -6.125 -12.211
  137    H    ASP  19           H        ASP  19   5.762  -8.278  -9.593
  138    HA   ASP  19           HA       ASP  19   5.502  -6.651  -7.346
  139   1HB   ASP  19          1HB       ASP  19   7.871  -6.810  -7.057
  140   2HB   ASP  19          2HB       ASP  19   7.447  -8.216  -8.024
  141    H    GLY  20           H        GLY  20   5.825  -5.395 -10.552
  142   1HA   GLY  20          1HA       GLY  20   6.665  -2.621 -10.184
  143   2HA   GLY  20          2HA       GLY  20   5.519  -3.155 -11.420
  144    H    TYR  21           H        TYR  21   3.315  -3.906 -10.046
  145    HA   TYR  21           HA       TYR  21   2.375  -1.325  -8.643
  146   1HB   TYR  21          1HB       TYR  21   0.588  -3.226 -10.282
  147   2HB   TYR  21          2HB       TYR  21   0.138  -1.696  -9.590
  148    HD1  TYR  21           HD1      TYR  21   1.493   0.443 -10.442
  149    HD2  TYR  21           HD2      TYR  21   1.210  -3.261 -12.610
  150    HE1  TYR  21           HE1      TYR  21   2.008   1.622 -12.542
  151    HE2  TYR  21           HE2      TYR  21   1.733  -2.052 -14.702
  152    HH   TYR  21           HH       TYR  21   1.426   0.670 -15.398
  153    H    ILE  22           H        ILE  22   1.048  -1.496  -6.823
  154    HA   ILE  22           HA       ILE  22   0.177  -4.276  -5.873
  155    HB   ILE  22           HB       ILE  22   0.369  -1.694  -4.229
  156   1HG1  ILE  22          1HG1      ILE  22   2.294  -4.112  -4.296
  157   2HG1  ILE  22          2HG1      ILE  22   2.667  -2.474  -4.758
  158   1HG2  ILE  22          1HG2      ILE  22  -1.381  -3.281  -3.309
  159   2HG2  ILE  22          2HG2      ILE  22  -0.190  -4.596  -3.261
  160   3HG2  ILE  22          3HG2      ILE  22  -0.020  -3.170  -2.205
  161   1HD1  ILE  22          1HD1      ILE  22   2.293  -1.659  -2.373
  162   2HD1  ILE  22          2HD1      ILE  22   2.113  -3.359  -1.868
  163   3HD1  ILE  22          3HD1      ILE  22   3.646  -2.801  -2.570
  164    H    ASP  23           H        ASP  23  -1.943  -4.588  -5.090
  165    HA   ASP  23           HA       ASP  23  -4.067  -2.690  -6.213
  166   1HB   ASP  23          1HB       ASP  23  -5.348  -4.853  -6.743
  167   2HB   ASP  23          2HB       ASP  23  -3.872  -4.600  -7.663
  168    H    ILE  24           H        ILE  24  -6.325  -3.233  -5.369
  169    HA   ILE  24           HA       ILE  24  -6.380  -2.615  -2.424
  170    HB   ILE  24           HB       ILE  24  -8.010  -1.724  -4.299
  171   1HG1  ILE  24          1HG1      ILE  24  -9.541  -2.487  -1.759
  172   2HG1  ILE  24          2HG1      ILE  24  -8.126  -1.483  -1.593
  173   1HG2  ILE  24          1HG2      ILE  24  -8.926  -3.960  -5.072
  174   2HG2  ILE  24          2HG2      ILE  24  -9.573  -4.271  -3.449
  175   3HG2  ILE  24          3HG2      ILE  24 -10.222  -2.950  -4.455
  176   1HD1  ILE  24          1HD1      ILE  24  -9.075   0.217  -3.234
  177   2HD1  ILE  24          2HD1      ILE  24 -10.601  -0.700  -3.235
  178   3HD1  ILE  24          3HD1      ILE  24 -10.012   0.032  -1.728
  179    H    GLU  25           H        GLU  25  -6.704  -5.458  -4.408
  180    HA   GLU  25           HA       GLU  25  -7.890  -7.270  -2.337
  181   1HB   GLU  25          1HB       GLU  25  -7.828  -7.483  -4.989
  182   2HB   GLU  25          2HB       GLU  25  -6.320  -8.302  -4.716
  183   1HG   GLU  25          1HG       GLU  25  -7.375 -10.193  -3.643
  184   2HG   GLU  25          2HG       GLU  25  -8.805  -9.288  -3.184
  185    H    GLU  26           H        GLU  26  -4.651  -6.277  -3.232
  186    HA   GLU  26           HA       GLU  26  -3.261  -8.224  -1.420
  187   1HB   GLU  26          1HB       GLU  26  -2.189  -5.893  -3.066
  188   2HB   GLU  26          2HB       GLU  26  -1.177  -6.856  -2.033
  189   1HG   GLU  26          1HG       GLU  26  -1.909  -8.950  -3.457
  190   2HG   GLU  26          2HG       GLU  26  -2.663  -7.826  -4.572
  191    H    LEU  27           H        LEU  27  -4.445  -4.966  -1.107
  192    HA   LEU  27           HA       LEU  27  -2.821  -3.999   1.080
  193   1HB   LEU  27          1HB       LEU  27  -4.203  -2.564  -0.365
  194   2HB   LEU  27          2HB       LEU  27  -5.682  -3.242   0.264
  195    HG   LEU  27           HG       LEU  27  -4.595  -0.867   1.129
  196   1HD1  LEU  27          1HD1      LEU  27  -6.918  -1.686   1.540
  197   2HD1  LEU  27          2HD1      LEU  27  -6.346  -2.760   2.848
  198   3HD1  LEU  27          3HD1      LEU  27  -6.218  -0.983   2.997
  199   1HD2  LEU  27          1HD2      LEU  27  -3.736  -2.934   3.290
  200   2HD2  LEU  27          2HD2      LEU  27  -2.636  -1.928   2.299
  201   3HD2  LEU  27          3HD2      LEU  27  -3.725  -1.156   3.458
  202    H    GLY  28           H        GLY  28  -6.260  -4.774   1.631
  203   1HA   GLY  28          1HA       GLY  28  -6.453  -5.268   4.415
  204   2HA   GLY  28          2HA       GLY  28  -7.304  -6.278   3.240
  205    H    GLU  29           H        GLU  29  -5.339  -7.820   2.104
  206    HA   GLU  29           HA       GLU  29  -5.281  -9.915   4.242
  207   1HB   GLU  29          1HB       GLU  29  -5.925 -10.289   1.810
  208   2HB   GLU  29          2HB       GLU  29  -4.249 -10.152   1.375
  209   1HG   GLU  29          1HG       GLU  29  -4.090 -12.173   3.329
  210   2HG   GLU  29          2HG       GLU  29  -5.696 -12.467   2.689
  211    H    ILE  30           H        ILE  30  -2.881  -7.866   2.701
  212    HA   ILE  30           HA       ILE  30  -0.484  -8.706   4.262
  213    HB   ILE  30           HB       ILE  30  -1.321  -6.067   2.989
  214   1HG1  ILE  30          1HG1      ILE  30   1.200  -7.789   2.487
  215   2HG1  ILE  30          2HG1      ILE  30  -0.259  -7.913   1.543
  216   1HG2  ILE  30          1HG2      ILE  30  -0.148  -5.415   5.124
  217   2HG2  ILE  30          2HG2      ILE  30   1.236  -6.457   4.703
  218   3HG2  ILE  30          3HG2      ILE  30   0.847  -5.013   3.728
  219   1HD1  ILE  30          1HD1      ILE  30   1.420  -5.318   1.630
  220   2HD1  ILE  30          2HD1      ILE  30   1.367  -6.529   0.332
  221   3HD1  ILE  30          3HD1      ILE  30  -0.084  -5.579   0.710
  222    H    LEU  31           H        LEU  31  -2.849  -6.059   4.969
  223    HA   LEU  31           HA       LEU  31  -1.558  -5.482   7.619
  224   1HB   LEU  31          1HB       LEU  31  -3.305  -3.800   7.915
  225   2HB   LEU  31          2HB       LEU  31  -2.531  -3.628   6.359
  226    HG   LEU  31           HG       LEU  31  -4.605  -5.019   5.414
  227   1HD1  LEU  31          1HD1      LEU  31  -5.730  -3.990   8.107
  228   2HD1  LEU  31          2HD1      LEU  31  -6.707  -4.600   6.745
  229   3HD1  LEU  31          3HD1      LEU  31  -5.579  -5.685   7.564
  230   1HD2  LEU  31          1HD2      LEU  31  -4.871  -2.075   6.361
  231   2HD2  LEU  31          2HD2      LEU  31  -4.260  -2.639   4.781
  232   3HD2  LEU  31          3HD2      LEU  31  -5.961  -2.873   5.197
  233    H    ARG  32           H        ARG  32  -3.957  -7.762   6.608
  234    HA   ARG  32           HA       ARG  32  -4.831  -8.402   9.395
  235   1HB   ARG  32          1HB       ARG  32  -5.323  -9.217   6.562
  236   2HB   ARG  32          2HB       ARG  32  -5.484 -10.562   7.690
  237   1HG   ARG  32          1HG       ARG  32  -6.932  -8.497   8.986
  238   2HG   ARG  32          2HG       ARG  32  -7.177  -8.107   7.274
  239   1HD   ARG  32          1HD       ARG  32  -7.495 -11.010   7.573
  240   2HD   ARG  32          2HD       ARG  32  -8.460 -10.231   8.847
  241    HE   ARG  32           HE       ARG  32  -8.743  -8.998   6.093
  242   1HH1  ARG  32          2HH1      ARG  32 -10.163 -11.143   8.428
  243   2HH1  ARG  32          1HH1      ARG  32 -11.810 -11.023   7.647
  244   1HH2  ARG  32          1HH2      ARG  32 -10.612  -8.893   5.237
  245   2HH2  ARG  32          2HH2      ARG  32 -12.026  -9.816   5.923
  246    H    ALA  33           H        ALA  33  -2.982 -10.401   7.065
  247    HA   ALA  33           HA       ALA  33  -2.101 -12.200   9.295
  248   1HB   ALA  33          1HB       ALA  33  -3.216 -13.072   7.247
  249   2HB   ALA  33          2HB       ALA  33  -1.887 -12.463   6.223
  250   3HB   ALA  33          3HB       ALA  33  -1.590 -13.758   7.403
  251    H    THR  34           H        THR  34   0.026 -12.991   9.685
  252    HA   THR  34           HA       THR  34   2.326 -12.251   7.869
  253    HB   THR  34           HB       THR  34   3.635 -11.600  10.143
  254    HG1  THR  34           HG1      THR  34   0.965 -10.705  10.530
  255   1HG2  THR  34          2HG2      THR  34   3.342 -10.183   8.004
  256   2HG2  THR  34          3HG2      THR  34   1.809  -9.566   8.674
  257   3HG2  THR  34          1HG2      THR  34   3.338  -9.207   9.497
  258    H    GLY  35           H        GLY  35   1.578 -13.781  11.071
  259   1HA   GLY  35          1HA       GLY  35   1.392 -16.515  10.401
  260   2HA   GLY  35          2HA       GLY  35   3.135 -16.248  10.274
  261   1HN   NH2  36          1HN       NH2  36   0.388 -15.843  12.665
  262   2HN   NH2  36          2HN       NH2  36   1.388 -16.160  14.108
  263   1H    ACE  37          1HH3      ACE  37 -11.706  -7.192  14.579
  264   2H    ACE  37          2HH3      ACE  37 -13.112  -7.608  13.539
  265   3H    ACE  37          3HH3      ACE  37 -11.702  -8.696  13.620
  266    H    VAL  38           H        VAL  38 -12.169  -5.148  12.920
  267    HA   VAL  38           HA       VAL  38 -11.902  -3.981  10.827
  268    HB   VAL  38           HB       VAL  38  -9.783  -6.016  10.025
  269   1HG1  VAL  38          1HG1      VAL  38 -10.009  -2.938   9.669
  270   2HG1  VAL  38          2HG1      VAL  38  -8.596  -3.900   9.177
  271   3HG1  VAL  38          3HG1      VAL  38 -10.159  -4.164   8.398
  272   1HG2  VAL  38          1HG2      VAL  38  -9.278  -5.500  12.453
  273   2HG2  VAL  38          2HG2      VAL  38  -8.070  -4.751  11.387
  274   3HG2  VAL  38          3HG2      VAL  38  -9.362  -3.758  12.105
  275    H    THR  39           H        THR  39 -13.174  -4.010   9.104
  276    HA   THR  39           HA       THR  39 -14.027  -6.659   7.828
  277    HB   THR  39           HB       THR  39 -16.107  -4.486   7.786
  278    HG1  THR  39           HG1      THR  39 -15.534  -6.059  10.083
  279   1HG2  THR  39          2HG2      THR  39 -16.186  -7.546   8.275
  280   2HG2  THR  39          3HG2      THR  39 -17.612  -6.498   8.080
  281   3HG2  THR  39          1HG2      THR  39 -16.490  -6.729   6.723
  282    H    GLU  40           H        GLU  40 -15.562  -5.515   5.786
  283    HA   GLU  40           HA       GLU  40 -13.477  -4.641   3.828
  284   1HB   GLU  40          1HB       GLU  40 -15.297  -6.173   3.193
  285   2HB   GLU  40          2HB       GLU  40 -16.500  -4.958   3.497
  286   1HG   GLU  40          1HG       GLU  40 -14.765  -3.713   1.565
  287   2HG   GLU  40          2HG       GLU  40 -14.842  -5.388   1.051
  288    H    GLU  41           H        GLU  41 -16.218  -2.976   5.405
  289    HA   GLU  41           HA       GLU  41 -15.763  -0.375   4.288
  290   1HB   GLU  41          1HB       GLU  41 -17.022   0.471   6.389
  291   2HB   GLU  41          2HB       GLU  41 -17.830  -0.520   5.213
  292   1HG   GLU  41          1HG       GLU  41 -18.169  -2.304   6.727
  293   2HG   GLU  41          2HG       GLU  41 -16.652  -2.051   7.571
  294    H    ASP  42           H        ASP  42 -14.089  -1.808   7.010
  295    HA   ASP  42           HA       ASP  42 -12.527   0.572   7.881
  296   1HB   ASP  42          1HB       ASP  42 -12.219  -2.461   8.238
  297   2HB   ASP  42          2HB       ASP  42 -10.951  -1.369   8.775
  298    H    ILE  43           H        ILE  43 -12.006  -1.904   5.401
  299    HA   ILE  43           HA       ILE  43  -9.301  -0.990   4.496
  300    HB   ILE  43           HB       ILE  43 -11.420  -2.769   3.221
  301   1HG1  ILE  43          1HG1      ILE  43  -8.487  -3.571   3.560
  302   2HG1  ILE  43          2HG1      ILE  43  -9.482  -3.511   4.990
  303   1HG2  ILE  43          1HG2      ILE  43 -10.462  -1.455   1.289
  304   2HG2  ILE  43          2HG2      ILE  43  -8.810  -1.846   1.807
  305   3HG2  ILE  43          3HG2      ILE  43  -9.903  -3.119   1.209
  306   1HD1  ILE  43          1HD1      ILE  43 -11.156  -5.124   3.989
  307   2HD1  ILE  43          2HD1      ILE  43 -10.086  -5.326   2.577
  308   3HD1  ILE  43          3HD1      ILE  43  -9.526  -5.803   4.194
  309    H    GLU  44           H        GLU  44 -12.633  -0.350   3.320
  310    HA   GLU  44           HA       GLU  44 -11.725   1.453   1.105
  311   1HB   GLU  44          1HB       GLU  44 -13.661   0.919   0.223
  312   2HB   GLU  44          2HB       GLU  44 -14.062  -0.032   1.621
  313   1HG   GLU  44          1HG       GLU  44 -15.926   1.318   1.811
  314   2HG   GLU  44          2HG       GLU  44 -14.871   2.552   2.472
  315    H    ASP  45           H        ASP  45 -12.818   1.902   4.396
  316    HA   ASP  45           HA       ASP  45 -13.017   4.859   4.499
  317   1HB   ASP  45          1HB       ASP  45 -12.489   2.644   6.551
  318   2HB   ASP  45          2HB       ASP  45 -12.309   4.329   7.019
  319    H    LEU  46           H        LEU  46 -10.258   2.673   5.118
  320    HA   LEU  46           HA       LEU  46  -8.136   4.717   5.452
  321   1HB   LEU  46          1HB       LEU  46  -7.941   2.318   6.086
  322   2HB   LEU  46          2HB       LEU  46  -7.972   1.826   4.409
  323    HG   LEU  46           HG       LEU  46  -5.655   1.889   5.628
  324   1HD1  LEU  46          1HD1      LEU  46  -6.235   2.958   2.821
  325   2HD1  LEU  46          2HD1      LEU  46  -4.563   2.927   3.451
  326   3HD1  LEU  46          3HD1      LEU  46  -5.485   1.421   3.342
  327   1HD2  LEU  46          1HD2      LEU  46  -6.066   4.897   5.125
  328   2HD2  LEU  46          2HD2      LEU  46  -5.570   4.110   6.652
  329   3HD2  LEU  46          3HD2      LEU  46  -4.459   4.178   5.251
  330    H    MET  47           H        MET  47  -8.838   2.845   2.496
  331    HA   MET  47           HA       MET  47  -6.676   4.321   1.080
  332   1HB   MET  47          1HB       MET  47  -6.979   1.831   0.952
  333   2HB   MET  47          2HB       MET  47  -8.494   2.047   0.094
  334   1HG   MET  47          1HG       MET  47  -7.400   2.986  -1.893
  335   2HG   MET  47          2HG       MET  47  -5.854   3.154  -1.042
  336   1HE   MET  47          1HE       MET  47  -6.434   1.777  -3.825
  337   2HE   MET  47          2HE       MET  47  -4.783   1.875  -3.148
  338   3HE   MET  47          3HE       MET  47  -5.399   0.309  -3.751
  339    H    LYS  48           H        LYS  48 -10.171   4.699   1.062
  340    HA   LYS  48           HA       LYS  48 -10.025   6.679  -1.196
  341   1HB   LYS  48          1HB       LYS  48 -12.160   5.793   0.798
  342   2HB   LYS  48          2HB       LYS  48 -12.478   7.162  -0.223
  343   1HG   LYS  48          1HG       LYS  48 -13.446   4.962  -1.114
  344   2HG   LYS  48          2HG       LYS  48 -12.416   5.764  -2.258
  345   1HD   LYS  48          1HD       LYS  48 -10.597   4.260  -2.042
  346   2HD   LYS  48          2HD       LYS  48 -11.077   3.621  -0.505
  347   1HE   LYS  48          1HE       LYS  48 -11.886   1.807  -1.753
  348   2HE   LYS  48          2HE       LYS  48 -13.266   2.831  -2.109
  349   1HZ   LYS  48          1HZ       LYS  48 -11.649   3.763  -4.069
  350   2HZ   LYS  48          2HZ       LYS  48 -11.005   2.242  -3.959
  351   3HZ   LYS  48          3HZ       LYS  48 -12.583   2.502  -4.283
  352    H    ASP  49           H        ASP  49  -9.870   6.758   2.315
  353    HA   ASP  49           HA       ASP  49  -9.913   9.768   2.582
  354   1HB   ASP  49          1HB       ASP  49 -10.660   8.089   4.414
  355   2HB   ASP  49          2HB       ASP  49  -8.961   7.738   4.697
  356    H    SER  50           H        SER  50  -7.480   7.275   2.128
  357    HA   SER  50           HA       SER  50  -5.170   9.141   2.410
  358   1HB   SER  50          1HB       SER  50  -4.906   6.797   3.089
  359   2HB   SER  50          2HB       SER  50  -5.398   6.195   1.509
  360    HG   SER  50           HG       SER  50  -2.971   7.106   2.391
  361    H    ASP  51           H        ASP  51  -6.686   7.492  -0.376
  362    HA   ASP  51           HA       ASP  51  -4.433   7.977  -2.152
  363   1HB   ASP  51          1HB       ASP  51  -6.187   6.043  -2.132
  364   2HB   ASP  51          2HB       ASP  51  -7.244   7.099  -3.060
  365    H    LYS  52           H        LYS  52  -3.983   9.382  -3.747
  366    HA   LYS  52           HA       LYS  52  -5.170  12.143  -3.595
  367   1HB   LYS  52          1HB       LYS  52  -2.939  10.801  -5.183
  368   2HB   LYS  52          2HB       LYS  52  -3.430  12.408  -5.625
  369   1HG   LYS  52          1HG       LYS  52  -1.363  12.204  -4.033
  370   2HG   LYS  52          2HG       LYS  52  -2.571  13.358  -3.566
  371   1HD   LYS  52          1HD       LYS  52  -3.646  11.475  -2.077
  372   2HD   LYS  52          2HD       LYS  52  -2.168  10.587  -2.245
  373   1HE   LYS  52          1HE       LYS  52  -1.603  11.766  -0.276
  374   2HE   LYS  52          2HE       LYS  52  -1.081  13.004  -1.417
  375   1HZ   LYS  52          1HZ       LYS  52  -3.726  13.710  -1.227
  376   2HZ   LYS  52          2HZ       LYS  52  -3.562  12.998   0.232
  377   3HZ   LYS  52          3HZ       LYS  52  -2.644  14.246  -0.094
  378    H    ASN  53           H        ASN  53  -4.434  11.065  -6.789
  379    HA   ASN  53           HA       ASN  53  -6.863  12.276  -7.789
  380   1HB   ASN  53          1HB       ASN  53  -5.973  11.759 -10.042
  381   2HB   ASN  53          2HB       ASN  53  -4.669  12.261  -9.003
  382   1HD2  ASN  53          1HD2      ASN  53  -2.947   9.443 -10.266
  383   2HD2  ASN  53          2HD2      ASN  53  -3.051  11.256 -10.130
  384    H    ASN  54           H        ASN  54  -6.482   9.037  -6.770
  385    HA   ASN  54           HA       ASN  54  -8.206   7.417  -6.340
  386   1HB   ASN  54          1HB       ASN  54  -9.845   9.935  -7.047
  387   2HB   ASN  54          2HB       ASN  54 -10.650   8.433  -6.686
  388   1HD2  ASN  54          1HD2      ASN  54 -10.179  10.513  -3.564
  389   2HD2  ASN  54          2HD2      ASN  54 -10.806  10.890  -5.231
  390    H    ASP  55           H        ASP  55  -7.009   6.767  -8.567
  391    HA   ASP  55           HA       ASP  55  -8.992   6.410 -10.862
  392   1HB   ASP  55          1HB       ASP  55  -6.920   7.172 -11.738
  393   2HB   ASP  55          2HB       ASP  55  -5.949   6.205 -10.636
  394    H    GLY  56           H        GLY  56  -6.944   4.441  -8.701
  395   1HA   GLY  56          1HA       GLY  56  -8.756   2.487  -7.894
  396   2HA   GLY  56          2HA       GLY  56  -8.264   1.820  -9.458
  397    H    ARG  57           H        ARG  57  -5.450   2.544  -9.282
  398    HA   ARG  57           HA       ARG  57  -4.631   0.249  -7.419
  399   1HB   ARG  57          1HB       ARG  57  -3.575   0.708 -10.273
  400   2HB   ARG  57          2HB       ARG  57  -3.116  -0.604  -9.188
  401   1HG   ARG  57          1HG       ARG  57  -6.025  -0.139 -10.164
  402   2HG   ARG  57          2HG       ARG  57  -4.879  -1.158 -11.033
  403   1HD   ARG  57          1HD       ARG  57  -4.697  -2.187  -8.389
  404   2HD   ARG  57          2HD       ARG  57  -6.385  -1.687  -8.485
  405    HE   ARG  57           HE       ARG  57  -5.256  -3.947 -10.049
  406   1HH1  ARG  57          2HH1      ARG  57  -7.795  -1.593 -10.086
  407   2HH1  ARG  57          1HH1      ARG  57  -8.747  -2.565 -11.326
  408   1HH2  ARG  57          1HH2      ARG  57  -6.374  -5.035 -11.281
  409   2HH2  ARG  57          2HH2      ARG  57  -8.013  -4.487 -11.890
  410    H    ILE  58           H        ILE  58  -2.501   0.225  -6.650
  411    HA   ILE  58           HA       ILE  58  -1.176   2.954  -6.433
  412    HB   ILE  58           HB       ILE  58  -1.151   0.518  -4.586
  413   1HG1  ILE  58          1HG1      ILE  58  -2.200   3.402  -4.185
  414   2HG1  ILE  58          2HG1      ILE  58  -3.177   1.975  -4.389
  415   1HG2  ILE  58          1HG2      ILE  58   1.172   1.527  -4.525
  416   2HG2  ILE  58          2HG2      ILE  58   0.487   3.127  -4.179
  417   3HG2  ILE  58          3HG2      ILE  58   0.339   1.803  -3.000
  418   1HD1  ILE  58          1HD1      ILE  58  -2.313   0.977  -2.223
  419   2HD1  ILE  58          2HD1      ILE  58  -1.408   2.484  -1.922
  420   3HD1  ILE  58          3HD1      ILE  58  -3.183   2.518  -2.017
  421    H    ASP  59           H        ASP  59   0.743   3.353  -7.393
  422    HA   ASP  59           HA       ASP  59   2.800   1.103  -7.604
  423   1HB   ASP  59          1HB       ASP  59   3.929   2.542  -9.300
  424   2HB   ASP  59          2HB       ASP  59   2.252   2.234  -9.729
  425    H    PHE  60           H        PHE  60   5.166   2.460  -7.624
  426    HA   PHE  60           HA       PHE  60   5.801   2.160  -4.759
  427   1HB   PHE  60          1HB       PHE  60   7.327   1.769  -6.836
  428   2HB   PHE  60          2HB       PHE  60   7.581   3.482  -6.889
  429    HD1  PHE  60           HD1      PHE  60   7.347   2.425  -3.418
  430    HD2  PHE  60           HD2      PHE  60  10.032   2.624  -6.765
  431    HE1  PHE  60           HE1      PHE  60   9.280   2.257  -1.890
  432    HE2  PHE  60           HE2      PHE  60  11.949   2.518  -5.236
  433    HZ   PHE  60           HZ       PHE  60  11.586   2.326  -2.796
  434    H    ASP  61           H        ASP  61   5.038   5.007  -6.667
  435    HA   ASP  61           HA       ASP  61   6.001   7.195  -4.912
  436   1HB   ASP  61          1HB       ASP  61   5.276   7.988  -7.032
  437   2HB   ASP  61          2HB       ASP  61   3.978   6.818  -7.169
  438    H    GLU  62           H        GLU  62   2.652   6.553  -5.489
  439    HA   GLU  62           HA       GLU  62   1.229   7.206  -3.100
  440   1HB   GLU  62          1HB       GLU  62   0.648   4.700  -4.737
  441   2HB   GLU  62          2HB       GLU  62  -0.467   5.545  -3.706
  442   1HG   GLU  62          1HG       GLU  62  -1.184   6.710  -5.559
  443   2HG   GLU  62          2HG       GLU  62   0.348   7.563  -5.594
  444    H    PHE  63           H        PHE  63   3.441   4.455  -3.386
  445    HA   PHE  63           HA       PHE  63   2.569   3.004  -0.894
  446   1HB   PHE  63          1HB       PHE  63   3.906   2.019  -2.867
  447   2HB   PHE  63          2HB       PHE  63   5.284   2.926  -2.342
  448    HD1  PHE  63           HD1      PHE  63   3.169  -0.010  -1.321
  449    HD2  PHE  63           HD2      PHE  63   6.737   2.276  -0.575
  450    HE1  PHE  63           HE1      PHE  63   4.044  -1.807   0.110
  451    HE2  PHE  63           HE2      PHE  63   7.576   0.493   0.856
  452    HZ   PHE  63           HZ       PHE  63   6.247  -1.559   1.210
  453    H    LEU  64           H        LEU  64   5.388   5.077  -1.626
  454    HA   LEU  64           HA       LEU  64   6.350   5.663   1.010
  455   1HB   LEU  64          1HB       LEU  64   6.321   7.402  -1.506
  456   2HB   LEU  64          2HB       LEU  64   7.128   7.928  -0.050
  457    HG   LEU  64           HG       LEU  64   7.860   5.213  -1.259
  458   1HD1  LEU  64          1HD1      LEU  64   8.858   7.970  -2.258
  459   2HD1  LEU  64          2HD1      LEU  64   9.627   6.407  -2.644
  460   3HD1  LEU  64          3HD1      LEU  64   7.972   6.720  -3.174
  461   1HD2  LEU  64          1HD2      LEU  64   9.474   7.321   0.359
  462   2HD2  LEU  64          2HD2      LEU  64   8.927   5.718   0.931
  463   3HD2  LEU  64          3HD2      LEU  64  10.158   5.829  -0.334
  464    H    LYS  65           H        LYS  65   3.652   7.286  -0.633
  465    HA   LYS  65           HA       LYS  65   3.100   9.194   1.603
  466   1HB   LYS  65          1HB       LYS  65   1.763   8.332  -1.017
  467   2HB   LYS  65          2HB       LYS  65   1.027   9.564  -0.010
  468   1HG   LYS  65          1HG       LYS  65   3.493  10.734  -0.328
  469   2HG   LYS  65          2HG       LYS  65   3.567   9.633  -1.717
  470   1HD   LYS  65          1HD       LYS  65   1.738  10.576  -2.824
  471   2HD   LYS  65          2HD       LYS  65   0.959  11.186  -1.360
  472   1HE   LYS  65          1HE       LYS  65   2.121  12.812  -3.225
  473   2HE   LYS  65          2HE       LYS  65   2.112  13.236  -1.503
  474   1HZ   LYS  65          1HZ       LYS  65   4.413  11.531  -2.498
  475   2HZ   LYS  65          2HZ       LYS  65   4.444  13.134  -2.790
  476   3HZ   LYS  65          3HZ       LYS  65   4.408  12.626  -1.265
  477    H    MET  66           H        MET  66   1.296   6.288   0.406
  478    HA   MET  66           HA       MET  66  -0.502   5.756   2.449
  479   1HB   MET  66          1HB       MET  66   0.027   4.307   0.417
  480   2HB   MET  66          2HB       MET  66   1.395   3.635   1.278
  481   1HG   MET  66          1HG       MET  66   0.133   2.176   2.525
  482   2HG   MET  66          2HG       MET  66  -1.141   3.364   2.862
  483   1HE   MET  66          1HE       MET  66  -0.033   0.313   0.956
  484   2HE   MET  66          2HE       MET  66  -0.804   0.415  -0.655
  485   3HE   MET  66          3HE       MET  66   0.544   1.517  -0.238
  486    H    MET  67           H        MET  67   2.986   5.235   2.831
  487    HA   MET  67           HA       MET  67   2.596   4.165   5.681
  488   1HB   MET  67          1HB       MET  67   4.263   2.646   5.261
  489   2HB   MET  67          2HB       MET  67   3.874   2.965   3.582
  490   1HG   MET  67          1HG       MET  67   5.737   4.650   3.399
  491   2HG   MET  67          2HG       MET  67   6.173   4.369   5.096
  492   1HE   MET  67          1HE       MET  67   6.227   2.021   6.039
  493   2HE   MET  67          2HE       MET  67   5.565   0.737   4.982
  494   3HE   MET  67          3HE       MET  67   7.322   0.789   5.338
  495    H    GLU  68           H        GLU  68   4.138   6.775   3.879
  496    HA   GLU  68           HA       GLU  68   4.427   8.202   6.543
  497   1HB   GLU  68          1HB       GLU  68   6.647   8.937   4.785
  498   2HB   GLU  68          2HB       GLU  68   6.635   8.540   6.476
  499   1HG   GLU  68          1HG       GLU  68   7.001   6.157   6.049
  500   2HG   GLU  68          2HG       GLU  68   6.519   6.281   4.367
  501    H    GLY  69           H        GLY  69   2.293   8.621   4.970
  502   1HA   GLY  69          1HA       GLY  69   2.545  11.435   3.778
  503   2HA   GLY  69          2HA       GLY  69   1.044  10.507   3.879
  504    H    VAL  70           H        VAL  70  -0.355  11.617   5.154
  505    HA   VAL  70           HA       VAL  70   0.792  13.801   6.960
  506    HB   VAL  70           HB       VAL  70  -0.856  14.436   5.161
  507   1HG1  VAL  70          1HG1      VAL  70  -2.930  12.928   6.909
  508   2HG1  VAL  70          2HG1      VAL  70  -3.333  14.043   5.579
  509   3HG1  VAL  70          3HG1      VAL  70  -2.484  12.535   5.231
  510   1HG2  VAL  70          1HG2      VAL  70  -0.555  15.926   7.182
  511   2HG2  VAL  70          2HG2      VAL  70  -2.203  16.007   6.578
  512   3HG2  VAL  70          3HG2      VAL  70  -1.839  15.055   8.048
  513    H    GLN  71           H        GLN  71   1.396  12.435   8.751
  514    HA   GLN  71           HA       GLN  71   0.002  10.921  10.531
  515   1HB   GLN  71          1HB       GLN  71   0.926  12.546  12.424
  516   2HB   GLN  71          2HB       GLN  71   2.006  11.594  11.408
  517   1HG   GLN  71          1HG       GLN  71   2.752  13.502  10.184
  518   2HG   GLN  71          2HG       GLN  71   1.283  14.425  10.439
  519   1HE2  GLN  71          1HE2      GLN  71   2.496  15.749  13.575
  520   2HE2  GLN  71          2HE2      GLN  71   0.958  15.178  12.723
  521   1HN   NH2  72          1HN       NH2  72  -1.032  14.310   9.766
  522   2HN   NH2  72          2HN       NH2  72  -2.534  14.272  10.727
   
  No H/Q in entry =         522
  Start of MODEL   11
    1   1H    ACE   1          1HH3      ACE   1  19.645  12.745   2.193
    2   2H    ACE   1          2HH3      ACE   1  19.800  13.185   0.455
    3   3H    ACE   1          3HH3      ACE   1  18.379  13.710   1.402
    4    H    LYS   2           H        LYS   2  20.060  10.678   0.542
    5    HA   LYS   2           HA       LYS   2  17.540   9.659  -0.698
    6   1HB   LYS   2          1HB       LYS   2  19.200   7.676  -1.324
    7   2HB   LYS   2          2HB       LYS   2  19.228   9.186  -2.207
    8   1HG   LYS   2          1HG       LYS   2  21.351   9.855  -1.127
    9   2HG   LYS   2          2HG       LYS   2  21.090   8.791   0.231
   10   1HD   LYS   2          1HD       LYS   2  21.705   6.802  -1.046
   11   2HD   LYS   2          2HD       LYS   2  21.516   7.619  -2.599
   12   1HE   LYS   2          1HE       LYS   2  23.525   8.793  -0.613
   13   2HE   LYS   2          2HE       LYS   2  24.000   7.310  -1.463
   14   1HZ   LYS   2          1HZ       LYS   2  23.117   8.781  -3.615
   15   2HZ   LYS   2          2HZ       LYS   2  23.375  10.016  -2.603
   16   3HZ   LYS   2          3HZ       LYS   2  24.614   9.140  -2.989
   17    H    SER   3           H        SER   3  16.116   8.494   0.314
   18    HA   SER   3           HA       SER   3  16.981   6.104   1.979
   19   1HB   SER   3          1HB       SER   3  14.579   7.726   2.924
   20   2HB   SER   3          2HB       SER   3  15.470   6.512   3.810
   21    HG   SER   3           HG       SER   3  16.307   9.144   3.063
   22    H    GLU   4           H        GLU   4  16.342   4.412   0.740
   23    HA   GLU   4           HA       GLU   4  13.710   4.177  -0.520
   24   1HB   GLU   4          1HB       GLU   4  14.039   4.460  -2.831
   25   2HB   GLU   4          2HB       GLU   4  14.426   5.917  -1.948
   26   1HG   GLU   4          1HG       GLU   4  16.829   5.727  -2.497
   27   2HG   GLU   4          2HG       GLU   4  16.653   4.068  -3.054
   28    H    GLU   5           H        GLU   5  17.053   3.065  -0.559
   29    HA   GLU   5           HA       GLU   5  16.806   0.634  -1.921
   30   1HB   GLU   5          1HB       GLU   5  18.972   1.047  -1.558
   31   2HB   GLU   5          2HB       GLU   5  18.737   1.737   0.019
   32   1HG   GLU   5          1HG       GLU   5  18.340  -1.003   0.585
   33   2HG   GLU   5          2HG       GLU   5  19.499  -1.092  -0.729
   34    H    GLU   6           H        GLU   6  16.209   0.900   1.583
   35    HA   GLU   6           HA       GLU   6  15.714  -2.027   1.828
   36   1HB   GLU   6          1HB       GLU   6  15.273  -0.176   4.161
   37   2HB   GLU   6          2HB       GLU   6  15.894  -1.799   4.139
   38   1HG   GLU   6          1HG       GLU   6  17.987  -0.552   2.808
   39   2HG   GLU   6          2HG       GLU   6  17.392   0.825   3.717
   40    H    LEU   7           H        LEU   7  13.605   0.811   2.303
   41    HA   LEU   7           HA       LEU   7  10.998  -0.631   2.426
   42   1HB   LEU   7          1HB       LEU   7  11.779   2.206   1.578
   43   2HB   LEU   7          2HB       LEU   7  10.129   1.643   1.479
   44    HG   LEU   7           HG       LEU   7  10.899   1.025   4.163
   45   1HD1  LEU   7          1HD1      LEU   7  12.915   2.460   3.903
   46   2HD1  LEU   7          2HD1      LEU   7  11.918   3.837   3.366
   47   3HD1  LEU   7          3HD1      LEU   7  11.770   3.208   5.027
   48   1HD2  LEU   7          1HD2      LEU   7   9.268   3.433   3.063
   49   2HD2  LEU   7          2HD2      LEU   7   8.626   1.838   3.543
   50   3HD2  LEU   7          3HD2      LEU   7   9.305   2.912   4.768
   51    H    ALA   8           H        ALA   8  13.253  -0.125  -0.181
   52    HA   ALA   8           HA       ALA   8  11.363  -1.011  -2.296
   53   1HB   ALA   8          1HB       ALA   8  14.445  -0.730  -2.235
   54   2HB   ALA   8          2HB       ALA   8  13.473  -1.006  -3.694
   55   3HB   ALA   8          3HB       ALA   8  13.269   0.491  -2.776
   56    H    ASN   9           H        ASN   9  14.195  -2.797  -0.866
   57    HA   ASN   9           HA       ASN   9  13.376  -5.478  -1.509
   58   1HB   ASN   9          1HB       ASN   9  14.688  -4.476   1.114
   59   2HB   ASN   9          2HB       ASN   9  14.606  -6.148   0.632
   60   1HD2  ASN   9          1HD2      ASN   9  17.909  -4.736  -0.410
   61   2HD2  ASN   9          2HD2      ASN   9  16.992  -4.839   1.159
   62    H    ALA  10           H        ALA  10  12.072  -3.427   1.064
   63    HA   ALA  10           HA       ALA  10  10.247  -5.452   2.281
   64   1HB   ALA  10          1HB       ALA  10  11.156  -3.462   3.499
   65   2HB   ALA  10          2HB       ALA  10  10.239  -2.358   2.441
   66   3HB   ALA  10          3HB       ALA  10   9.382  -3.469   3.532
   67    H    PHE  11           H        PHE  11   9.680  -2.810  -0.073
   68    HA   PHE  11           HA       PHE  11   6.844  -3.342  -0.531
   69   1HB   PHE  11          1HB       PHE  11   8.004  -1.189  -1.016
   70   2HB   PHE  11          2HB       PHE  11   8.915  -1.923  -2.292
   71    HD1  PHE  11           HD1      PHE  11   5.701  -3.383  -2.596
   72    HD2  PHE  11           HD2      PHE  11   7.772   0.305  -3.388
   73    HE1  PHE  11           HE1      PHE  11   3.970  -2.749  -4.225
   74    HE2  PHE  11           HE2      PHE  11   6.017   0.930  -5.001
   75    HZ   PHE  11           HZ       PHE  11   4.142  -0.620  -5.457
   76    H    ARG  12           H        ARG  12   9.530  -4.208  -2.826
   77    HA   ARG  12           HA       ARG  12   8.393  -6.263  -4.325
   78   1HB   ARG  12          1HB       ARG  12  11.111  -5.851  -3.132
   79   2HB   ARG  12          2HB       ARG  12  10.779  -7.521  -3.578
   80   1HG   ARG  12          1HG       ARG  12  11.890  -5.958  -5.369
   81   2HG   ARG  12          2HG       ARG  12  10.573  -7.003  -5.917
   82   1HD   ARG  12          1HD       ARG  12   8.931  -5.085  -5.703
   83   2HD   ARG  12          2HD       ARG  12  10.249  -4.023  -5.135
   84    HE   ARG  12           HE       ARG  12  11.317  -4.146  -7.384
   85   1HH1  ARG  12          2HH1      ARG  12   8.301  -5.850  -7.289
   86   2HH1  ARG  12          1HH1      ARG  12   8.217  -5.967  -9.113
   87   1HH2  ARG  12          1HH2      ARG  12  11.215  -4.303  -9.417
   88   2HH2  ARG  12          2HH2      ARG  12   9.812  -5.115 -10.254
   89    H    ILE  13           H        ILE  13   9.347  -6.733  -0.888
   90    HA   ILE  13           HA       ILE  13   8.912  -9.692  -0.945
   91    HB   ILE  13           HB       ILE  13   9.616  -7.718   1.273
   92   1HG1  ILE  13          1HG1      ILE  13  11.416  -8.695  -0.416
   93   2HG1  ILE  13          2HG1      ILE  13  11.785  -8.599   1.285
   94   1HG2  ILE  13          1HG2      ILE  13   8.128  -9.437   2.373
   95   2HG2  ILE  13          2HG2      ILE  13   9.108 -10.757   1.691
   96   3HG2  ILE  13          3HG2      ILE  13   9.783  -9.657   2.910
   97   1HD1  ILE  13          1HD1      ILE  13  11.254 -11.034   1.641
   98   2HD1  ILE  13          2HD1      ILE  13  10.929 -11.211  -0.102
   99   3HD1  ILE  13          3HD1      ILE  13  12.555 -10.773   0.457
  100    H    PHE  14           H        PHE  14   7.023  -6.881   0.031
  101    HA   PHE  14           HA       PHE  14   4.653  -8.200   1.142
  102   1HB   PHE  14          1HB       PHE  14   5.050  -5.562  -0.396
  103   2HB   PHE  14          2HB       PHE  14   3.460  -6.083   0.055
  104    HD1  PHE  14           HD1      PHE  14   6.342  -6.753   2.325
  105    HD2  PHE  14           HD2      PHE  14   3.035  -4.141   1.493
  106    HE1  PHE  14           HE1      PHE  14   6.618  -5.693   4.532
  107    HE2  PHE  14           HE2      PHE  14   3.330  -3.071   3.691
  108    HZ   PHE  14           HZ       PHE  14   5.133  -3.823   5.205
  109    H    ASP  15           H        ASP  15   5.327  -7.240  -2.240
  110    HA   ASP  15           HA       ASP  15   2.695  -8.017  -3.207
  111   1HB   ASP  15          1HB       ASP  15   4.070  -6.157  -4.133
  112   2HB   ASP  15          2HB       ASP  15   5.264  -7.286  -4.755
  113    H    LYS  16           H        LYS  16   1.912  -9.765  -4.454
  114    HA   LYS  16           HA       LYS  16   3.346 -12.282  -3.535
  115   1HB   LYS  16          1HB       LYS  16   0.399 -12.131  -4.388
  116   2HB   LYS  16          2HB       LYS  16   1.185 -13.458  -3.579
  117   1HG   LYS  16          1HG       LYS  16   1.116 -10.745  -2.146
  118   2HG   LYS  16          2HG       LYS  16  -0.418 -11.577  -2.366
  119   1HD   LYS  16          1HD       LYS  16   2.037 -12.907  -1.044
  120   2HD   LYS  16          2HD       LYS  16   0.821 -11.991  -0.155
  121   1HE   LYS  16          1HE       LYS  16  -0.590 -13.985  -1.764
  122   2HE   LYS  16          2HE       LYS  16   0.664 -14.800  -0.807
  123   1HZ   LYS  16          1HZ       LYS  16  -0.945 -12.638   0.550
  124   2HZ   LYS  16          2HZ       LYS  16  -1.691 -14.059   0.278
  125   3HZ   LYS  16          3HZ       LYS  16  -0.356 -14.022   1.234
  126    H    ASN  17           H        ASN  17   2.151 -10.587  -6.347
  127    HA   ASN  17           HA       ASN  17   3.215 -12.787  -8.171
  128   1HB   ASN  17          1HB       ASN  17   1.656 -11.910  -9.896
  129   2HB   ASN  17          2HB       ASN  17   0.845 -12.457  -8.453
  130   1HD2  ASN  17          1HD2      ASN  17  -0.824  -9.383  -8.064
  131   2HD2  ASN  17          2HD2      ASN  17  -0.719 -11.123  -7.639
  132    H    ALA  18           H        ALA  18   3.322  -9.200  -7.829
  133    HA   ALA  18           HA       ALA  18   5.335  -7.848  -7.964
  134   1HB   ALA  18          1HB       ALA  18   6.508  -9.925  -7.141
  135   2HB   ALA  18          2HB       ALA  18   6.644 -10.505  -8.815
  136   3HB   ALA  18          3HB       ALA  18   7.505  -9.036  -8.325
  137    H    ASP  19           H        ASP  19   3.468  -7.995 -10.242
  138    HA   ASP  19           HA       ASP  19   5.113  -7.094 -12.544
  139   1HB   ASP  19          1HB       ASP  19   3.055  -6.238 -13.446
  140   2HB   ASP  19          2HB       ASP  19   2.615  -7.697 -12.570
  141    H    GLY  20           H        GLY  20   4.476  -5.645  -9.441
  142   1HA   GLY  20          1HA       GLY  20   6.726  -4.029  -9.087
  143   2HA   GLY  20          2HA       GLY  20   5.832  -3.070 -10.275
  144    H    TYR  21           H        TYR  21   3.356  -4.356  -8.559
  145    HA   TYR  21           HA       TYR  21   3.005  -1.543  -7.345
  146   1HB   TYR  21          1HB       TYR  21   0.957  -3.281  -8.866
  147   2HB   TYR  21          2HB       TYR  21   0.522  -1.865  -7.956
  148    HD1  TYR  21           HD1      TYR  21   3.502  -2.333 -10.246
  149    HD2  TYR  21           HD2      TYR  21  -0.182  -0.233  -9.526
  150    HE1  TYR  21           HE1      TYR  21   3.890  -0.949 -12.246
  151    HE2  TYR  21           HE2      TYR  21   0.228   1.134 -11.546
  152    HH   TYR  21           HH       TYR  21   3.253   1.092 -13.208
  153    H    ILE  22           H        ILE  22   1.345  -1.359  -5.636
  154    HA   ILE  22           HA       ILE  22   0.465  -3.980  -4.297
  155    HB   ILE  22           HB       ILE  22   0.357  -1.132  -3.163
  156   1HG1  ILE  22          1HG1      ILE  22   2.304  -3.439  -2.676
  157   2HG1  ILE  22          2HG1      ILE  22   2.637  -1.741  -2.883
  158   1HG2  ILE  22          1HG2      ILE  22  -1.592  -2.508  -2.307
  159   2HG2  ILE  22          2HG2      ILE  22  -0.482  -3.787  -1.777
  160   3HG2  ILE  22          3HG2      ILE  22  -0.462  -2.180  -1.004
  161   1HD1  ILE  22          1HD1      ILE  22   1.645  -1.211  -0.598
  162   2HD1  ILE  22          2HD1      ILE  22   1.493  -2.963  -0.307
  163   3HD1  ILE  22          3HD1      ILE  22   3.097  -2.243  -0.562
  164    H    ASP  23           H        ASP  23  -1.623  -4.594  -4.322
  165    HA   ASP  23           HA       ASP  23  -3.749  -2.720  -5.463
  166   1HB   ASP  23          1HB       ASP  23  -5.041  -4.950  -5.799
  167   2HB   ASP  23          2HB       ASP  23  -3.617  -4.691  -6.796
  168    H    ILE  24           H        ILE  24  -6.002  -3.113  -4.608
  169    HA   ILE  24           HA       ILE  24  -6.114  -2.345  -1.700
  170    HB   ILE  24           HB       ILE  24  -7.757  -1.665  -3.708
  171   1HG1  ILE  24          1HG1      ILE  24  -7.800  -1.010  -1.087
  172   2HG1  ILE  24          2HG1      ILE  24  -9.097  -0.577  -2.167
  173   1HG2  ILE  24          1HG2      ILE  24  -8.679  -3.988  -4.148
  174   2HG2  ILE  24          2HG2      ILE  24  -9.278  -4.080  -2.480
  175   3HG2  ILE  24          3HG2      ILE  24  -9.963  -2.908  -3.635
  176   1HD1  ILE  24          1HD1      ILE  24 -10.439  -2.622  -1.458
  177   2HD1  ILE  24          2HD1      ILE  24  -9.211  -2.941  -0.208
  178   3HD1  ILE  24          3HD1      ILE  24 -10.150  -1.434  -0.160
  179    H    GLU  25           H        GLU  25  -6.565  -5.287  -3.587
  180    HA   GLU  25           HA       GLU  25  -7.961  -6.812  -1.412
  181   1HB   GLU  25          1HB       GLU  25  -8.784  -7.466  -3.434
  182   2HB   GLU  25          2HB       GLU  25  -7.272  -7.332  -4.280
  183   1HG   GLU  25          1HG       GLU  25  -6.752  -9.558  -2.612
  184   2HG   GLU  25          2HG       GLU  25  -8.475  -9.733  -2.896
  185    H    GLU  26           H        GLU  26  -4.664  -6.568  -2.577
  186    HA   GLU  26           HA       GLU  26  -3.584  -8.644  -0.700
  187   1HB   GLU  26          1HB       GLU  26  -2.243  -6.697  -2.610
  188   2HB   GLU  26          2HB       GLU  26  -1.305  -7.619  -1.476
  189   1HG   GLU  26          1HG       GLU  26  -2.369  -9.787  -2.557
  190   2HG   GLU  26          2HG       GLU  26  -3.000  -8.738  -3.813
  191    H    LEU  27           H        LEU  27  -4.258  -5.264  -0.456
  192    HA   LEU  27           HA       LEU  27  -2.440  -4.446   1.637
  193   1HB   LEU  27          1HB       LEU  27  -3.755  -2.893   0.255
  194   2HB   LEU  27          2HB       LEU  27  -5.257  -3.429   0.963
  195    HG   LEU  27           HG       LEU  27  -3.068  -2.074   2.657
  196   1HD1  LEU  27          1HD1      LEU  27  -3.722  -0.543   0.797
  197   2HD1  LEU  27          2HD1      LEU  27  -5.448  -0.696   1.230
  198   3HD1  LEU  27          3HD1      LEU  27  -4.284   0.062   2.354
  199   1HD2  LEU  27          1HD2      LEU  27  -6.122  -2.392   3.156
  200   2HD2  LEU  27          2HD2      LEU  27  -4.820  -3.288   3.994
  201   3HD2  LEU  27          3HD2      LEU  27  -4.958  -1.539   4.208
  202    H    GLY  28           H        GLY  28  -5.868  -5.301   2.198
  203   1HA   GLY  28          1HA       GLY  28  -5.939  -5.728   5.088
  204   2HA   GLY  28          2HA       GLY  28  -6.911  -6.631   3.920
  205    H    GLU  29           H        GLU  29  -5.004  -8.081   2.536
  206    HA   GLU  29           HA       GLU  29  -4.740 -10.412   4.359
  207   1HB   GLU  29          1HB       GLU  29  -5.291 -10.541   1.914
  208   2HB   GLU  29          2HB       GLU  29  -3.663 -10.083   1.516
  209   1HG   GLU  29          1HG       GLU  29  -3.477 -12.418   1.289
  210   2HG   GLU  29          2HG       GLU  29  -2.990 -12.294   2.969
  211    H    ILE  30           H        ILE  30  -2.405  -8.092   3.062
  212    HA   ILE  30           HA       ILE  30   0.023  -9.017   4.523
  213    HB   ILE  30           HB       ILE  30  -0.828  -6.291   3.447
  214   1HG1  ILE  30          1HG1      ILE  30   0.940  -6.499   1.816
  215   2HG1  ILE  30          2HG1      ILE  30   1.751  -7.767   2.694
  216   1HG2  ILE  30          1HG2      ILE  30   0.477  -5.820   5.551
  217   2HG2  ILE  30          2HG2      ILE  30   1.807  -6.861   4.982
  218   3HG2  ILE  30          3HG2      ILE  30   1.404  -5.342   4.133
  219   1HD1  ILE  30          1HD1      ILE  30  -0.921  -8.248   1.213
  220   2HD1  ILE  30          2HD1      ILE  30   0.709  -8.718   0.685
  221   3HD1  ILE  30          3HD1      ILE  30   0.010  -9.451   2.143
  222    H    LEU  31           H        LEU  31  -2.312  -6.389   5.457
  223    HA   LEU  31           HA       LEU  31  -0.794  -5.831   7.975
  224   1HB   LEU  31          1HB       LEU  31  -2.585  -4.277   8.533
  225   2HB   LEU  31          2HB       LEU  31  -2.040  -4.020   6.894
  226    HG   LEU  31           HG       LEU  31  -4.136  -5.562   6.222
  227   1HD1  LEU  31          1HD1      LEU  31  -4.946  -4.538   9.027
  228   2HD1  LEU  31          2HD1      LEU  31  -6.063  -5.220   7.815
  229   3HD1  LEU  31          3HD1      LEU  31  -4.783  -6.233   8.490
  230   1HD2  LEU  31          1HD2      LEU  31  -4.422  -2.617   7.159
  231   2HD2  LEU  31          2HD2      LEU  31  -3.998  -3.180   5.518
  232   3HD2  LEU  31          3HD2      LEU  31  -5.615  -3.488   6.160
  233    H    ARG  32           H        ARG  32  -3.628  -7.856   7.237
  234    HA   ARG  32           HA       ARG  32  -3.986  -8.869   9.971
  235   1HB   ARG  32          1HB       ARG  32  -5.360  -8.899   7.638
  236   2HB   ARG  32          2HB       ARG  32  -4.651 -10.505   7.481
  237   1HG   ARG  32          1HG       ARG  32  -5.655 -11.054   9.816
  238   2HG   ARG  32          2HG       ARG  32  -6.399  -9.444   9.804
  239   1HD   ARG  32          1HD       ARG  32  -8.207 -10.471   8.781
  240   2HD   ARG  32          2HD       ARG  32  -7.228 -10.391   7.299
  241    HE   ARG  32           HE       ARG  32  -7.622 -12.855   9.028
  242   1HH1  ARG  32          2HH1      ARG  32  -5.913 -11.488   6.329
  243   2HH1  ARG  32          1HH1      ARG  32  -5.466 -13.137   5.682
  244   1HH2  ARG  32          1HH2      ARG  32  -7.084 -14.694   8.278
  245   2HH2  ARG  32          2HH2      ARG  32  -6.113 -14.850   6.743
  246    H    ALA  33           H        ALA  33  -2.534 -10.662   7.226
  247    HA   ALA  33           HA       ALA  33  -2.132 -13.078   8.484
  248   1HB   ALA  33          1HB       ALA  33  -1.787 -12.662   6.052
  249   2HB   ALA  33          2HB       ALA  33  -0.225 -11.861   6.376
  250   3HB   ALA  33          3HB       ALA  33  -0.434 -13.593   6.716
  251    H    THR  34           H        THR  34   0.882 -11.235   7.990
  252    HA   THR  34           HA       THR  34   2.426 -13.109   9.527
  253    HB   THR  34           HB       THR  34   4.346 -11.455   9.338
  254    HG1  THR  34           HG1      THR  34   2.341  -9.750   8.857
  255   1HG2  THR  34          2HG2      THR  34   3.690 -13.108   7.468
  256   2HG2  THR  34          3HG2      THR  34   2.729 -11.809   6.715
  257   3HG2  THR  34          1HG2      THR  34   4.486 -11.636   6.854
  258    H    GLY  35           H        GLY  35   3.566 -12.937  11.505
  259   1HA   GLY  35          1HA       GLY  35   3.066 -10.846  13.529
  260   2HA   GLY  35          2HA       GLY  35   2.070 -12.253  13.919
  261   1HN   NH2  36          1HN       NH2  36   5.259 -10.843  14.175
  262   2HN   NH2  36          2HN       NH2  36   6.029 -12.213  15.019
  263   1H    ACE  37          1HH3      ACE  37 -16.922  -1.172  12.580
  264   2H    ACE  37          2HH3      ACE  37 -17.858  -2.189  13.729
  265   3H    ACE  37          3HH3      ACE  37 -16.696  -0.982  14.339
  266    H    VAL  38           H        VAL  38 -16.871  -4.061  12.502
  267    HA   VAL  38           HA       VAL  38 -13.830  -4.055  12.173
  268    HB   VAL  38           HB       VAL  38 -14.334  -5.370  14.248
  269   1HG1  VAL  38          1HG1      VAL  38 -15.823  -7.316  12.338
  270   2HG1  VAL  38          2HG1      VAL  38 -15.331  -7.727  13.997
  271   3HG1  VAL  38          3HG1      VAL  38 -16.519  -6.450  13.719
  272   1HG2  VAL  38          1HG2      VAL  38 -12.267  -5.945  12.902
  273   2HG2  VAL  38          2HG2      VAL  38 -12.951  -7.401  13.657
  274   3HG2  VAL  38          3HG2      VAL  38 -13.215  -7.087  11.924
  275    H    THR  39           H        THR  39 -14.148  -3.620   9.928
  276    HA   THR  39           HA       THR  39 -15.811  -5.552   8.290
  277    HB   THR  39           HB       THR  39 -16.443  -2.735   7.536
  278    HG1  THR  39           HG1      THR  39 -16.670  -2.471   9.730
  279   1HG2  THR  39          2HG2      THR  39 -18.161  -5.262   8.055
  280   2HG2  THR  39          3HG2      THR  39 -18.751  -3.748   7.323
  281   3HG2  THR  39          1HG2      THR  39 -17.536  -4.731   6.477
  282    H    GLU  40           H        GLU  40 -15.265  -5.542   6.094
  283    HA   GLU  40           HA       GLU  40 -12.686  -4.350   5.141
  284   1HB   GLU  40          1HB       GLU  40 -14.855  -5.977   3.773
  285   2HB   GLU  40          2HB       GLU  40 -13.616  -5.201   2.834
  286   1HG   GLU  40          1HG       GLU  40 -13.339  -7.760   3.606
  287   2HG   GLU  40          2HG       GLU  40 -11.924  -6.726   3.527
  288    H    GLU  41           H        GLU  41 -16.072  -3.339   5.001
  289    HA   GLU  41           HA       GLU  41 -15.712  -1.003   3.362
  290   1HB   GLU  41          1HB       GLU  41 -17.719  -1.718   5.509
  291   2HB   GLU  41          2HB       GLU  41 -17.739  -0.110   4.853
  292   1HG   GLU  41          1HG       GLU  41 -17.784  -1.628   2.476
  293   2HG   GLU  41          2HG       GLU  41 -18.632  -2.703   3.573
  294    H    ASP  42           H        ASP  42 -15.053  -1.224   6.870
  295    HA   ASP  42           HA       ASP  42 -13.986   1.435   7.228
  296   1HB   ASP  42          1HB       ASP  42 -13.249  -1.242   8.565
  297   2HB   ASP  42          2HB       ASP  42 -12.607   0.299   9.117
  298    H    ILE  43           H        ILE  43 -12.408  -1.359   5.764
  299    HA   ILE  43           HA       ILE  43  -9.688  -0.120   5.460
  300    HB   ILE  43           HB       ILE  43 -10.972  -2.604   4.236
  301   1HG1  ILE  43          1HG1      ILE  43  -9.541  -3.923   5.581
  302   2HG1  ILE  43          2HG1      ILE  43  -8.315  -2.691   5.710
  303   1HG2  ILE  43          1HG2      ILE  43  -9.499  -1.650   2.421
  304   2HG2  ILE  43          2HG2      ILE  43  -8.138  -1.527   3.553
  305   3HG2  ILE  43          3HG2      ILE  43  -8.774  -3.117   3.063
  306   1HD1  ILE  43          1HD1      ILE  43  -9.731  -1.338   7.312
  307   2HD1  ILE  43          2HD1      ILE  43 -10.938  -2.651   7.323
  308   3HD1  ILE  43          3HD1      ILE  43  -9.290  -2.951   7.917
  309    H    GLU  44           H        GLU  44 -12.674  -0.173   3.599
  310    HA   GLU  44           HA       GLU  44 -11.524   1.016   1.096
  311   1HB   GLU  44          1HB       GLU  44 -13.335   0.152   0.209
  312   2HB   GLU  44          2HB       GLU  44 -13.948  -0.308   1.768
  313   1HG   GLU  44          1HG       GLU  44 -15.752   1.067   1.384
  314   2HG   GLU  44          2HG       GLU  44 -14.704   2.463   1.552
  315    H    ASP  45           H        ASP  45 -13.055   2.271   3.993
  316    HA   ASP  45           HA       ASP  45 -13.289   5.124   3.076
  317   1HB   ASP  45          1HB       ASP  45 -13.694   3.638   5.719
  318   2HB   ASP  45          2HB       ASP  45 -13.553   5.390   5.740
  319    H    LEU  46           H        LEU  46 -10.990   3.347   5.159
  320    HA   LEU  46           HA       LEU  46  -8.858   5.411   5.283
  321   1HB   LEU  46          1HB       LEU  46  -8.980   3.371   6.710
  322   2HB   LEU  46          2HB       LEU  46  -8.670   2.338   5.333
  323    HG   LEU  46           HG       LEU  46  -6.686   2.811   6.961
  324   1HD1  LEU  46          1HD1      LEU  46  -6.624   2.838   3.930
  325   2HD1  LEU  46          2HD1      LEU  46  -5.086   3.117   4.799
  326   3HD1  LEU  46          3HD1      LEU  46  -6.032   1.627   5.077
  327   1HD2  LEU  46          1HD2      LEU  46  -7.180   5.565   6.147
  328   2HD2  LEU  46          2HD2      LEU  46  -5.973   4.939   7.272
  329   3HD2  LEU  46          3HD2      LEU  46  -5.569   5.086   5.537
  330    H    MET  47           H        MET  47  -9.116   2.712   2.901
  331    HA   MET  47           HA       MET  47  -7.284   3.730   0.958
  332   1HB   MET  47          1HB       MET  47  -8.620   1.505   0.949
  333   2HB   MET  47          2HB       MET  47  -9.939   2.391   0.204
  334   1HG   MET  47          1HG       MET  47  -8.685   1.327  -1.608
  335   2HG   MET  47          2HG       MET  47  -8.409   3.075  -1.725
  336   1HE   MET  47          1HE       MET  47  -6.690   1.102  -3.224
  337   2HE   MET  47          2HE       MET  47  -6.285   2.842  -3.181
  338   3HE   MET  47          3HE       MET  47  -5.007   1.630  -2.875
  339    H    LYS  48           H        LYS  48 -10.387   5.129   1.786
  340    HA   LYS  48           HA       LYS  48 -10.165   7.174  -0.426
  341   1HB   LYS  48          1HB       LYS  48 -12.184   6.372   1.674
  342   2HB   LYS  48          2HB       LYS  48 -12.312   8.010   1.112
  343   1HG   LYS  48          1HG       LYS  48 -13.147   5.455  -0.200
  344   2HG   LYS  48          2HG       LYS  48 -13.711   7.070  -0.490
  345   1HD   LYS  48          1HD       LYS  48 -11.535   7.528  -1.845
  346   2HD   LYS  48          2HD       LYS  48 -11.210   5.826  -1.836
  347   1HE   LYS  48          1HE       LYS  48 -12.464   5.793  -3.819
  348   2HE   LYS  48          2HE       LYS  48 -13.875   5.849  -2.778
  349   1HZ   LYS  48          1HZ       LYS  48 -13.416   8.472  -2.806
  350   2HZ   LYS  48          2HZ       LYS  48 -12.617   8.229  -4.152
  351   3HZ   LYS  48          3HZ       LYS  48 -14.221   7.822  -4.069
  352    H    ASP  49           H        ASP  49  -9.338   6.882   2.943
  353    HA   ASP  49           HA       ASP  49  -9.012   9.830   3.515
  354   1HB   ASP  49          1HB       ASP  49  -9.578   8.214   5.350
  355   2HB   ASP  49          2HB       ASP  49  -8.050   7.376   5.123
  356    H    SER  50           H        SER  50  -6.824   7.142   2.654
  357    HA   SER  50           HA       SER  50  -4.340   8.858   2.887
  358   1HB   SER  50          1HB       SER  50  -3.980   6.623   3.657
  359   2HB   SER  50          2HB       SER  50  -4.881   5.887   2.335
  360    HG   SER  50           HG       SER  50  -3.223   6.405   0.922
  361    H    ASP  51           H        ASP  51  -6.355   7.437   0.323
  362    HA   ASP  51           HA       ASP  51  -4.397   7.634  -1.864
  363   1HB   ASP  51          1HB       ASP  51  -6.577   6.143  -1.564
  364   2HB   ASP  51          2HB       ASP  51  -7.433   7.492  -2.298
  365    H    LYS  52           H        LYS  52  -4.021   9.087  -3.418
  366    HA   LYS  52           HA       LYS  52  -5.136  11.874  -3.560
  367   1HB   LYS  52          1HB       LYS  52  -3.961  12.033  -5.646
  368   2HB   LYS  52          2HB       LYS  52  -2.887  11.324  -4.481
  369   1HG   LYS  52          1HG       LYS  52  -3.992   9.014  -5.755
  370   2HG   LYS  52          2HG       LYS  52  -4.072  10.184  -7.034
  371   1HD   LYS  52          1HD       LYS  52  -1.433   9.811  -5.532
  372   2HD   LYS  52          2HD       LYS  52  -1.835   8.697  -6.796
  373   1HE   LYS  52          1HE       LYS  52  -1.394  10.301  -8.509
  374   2HE   LYS  52          2HE       LYS  52  -2.116  11.622  -7.592
  375   1HZ   LYS  52          1HZ       LYS  52   0.020  11.212  -6.004
  376   2HZ   LYS  52          2HZ       LYS  52   0.711  10.566  -7.275
  377   3HZ   LYS  52          3HZ       LYS  52   0.207  12.143  -7.331
  378    H    ASN  53           H        ASN  53  -5.686  11.549  -6.480
  379    HA   ASN  53           HA       ASN  53  -8.563  11.586  -6.245
  380   1HB   ASN  53          1HB       ASN  53  -8.465  11.772  -8.855
  381   2HB   ASN  53          2HB       ASN  53  -7.614  12.978  -7.931
  382   1HD2  ASN  53          1HD2      ASN  53  -5.135  10.243  -9.706
  383   2HD2  ASN  53          2HD2      ASN  53  -6.573   9.652  -8.759
  384    H    ASN  54           H        ASN  54  -6.798   8.781  -6.308
  385    HA   ASN  54           HA       ASN  54  -7.271   6.468  -6.745
  386   1HB   ASN  54          1HB       ASN  54 -10.107   7.654  -6.508
  387   2HB   ASN  54          2HB       ASN  54  -9.898   5.980  -6.938
  388   1HD2  ASN  54          1HD2      ASN  54  -9.021   5.043  -3.604
  389   2HD2  ASN  54          2HD2      ASN  54  -8.970   4.545  -5.354
  390    H    ASP  55           H        ASP  55  -6.145   6.700  -8.759
  391    HA   ASP  55           HA       ASP  55  -7.712   6.327 -11.308
  392   1HB   ASP  55          1HB       ASP  55  -5.422   7.216 -11.441
  393   2HB   ASP  55          2HB       ASP  55  -4.755   5.838 -10.576
  394    H    GLY  56           H        GLY  56  -6.215   4.191  -8.891
  395   1HA   GLY  56          1HA       GLY  56  -8.340   2.297  -8.827
  396   2HA   GLY  56          2HA       GLY  56  -7.223   1.585  -9.998
  397    H    ARG  57           H        ARG  57  -4.794   1.804  -9.046
  398    HA   ARG  57           HA       ARG  57  -4.753   0.664  -6.196
  399   1HB   ARG  57          1HB       ARG  57  -3.240  -1.161  -7.075
  400   2HB   ARG  57          2HB       ARG  57  -4.902  -1.231  -7.660
  401   1HG   ARG  57          1HG       ARG  57  -2.702   0.173  -9.317
  402   2HG   ARG  57          2HG       ARG  57  -2.858  -1.582  -9.358
  403   1HD   ARG  57          1HD       ARG  57  -5.533  -0.792  -9.802
  404   2HD   ARG  57          2HD       ARG  57  -4.646   0.547 -10.530
  405    HE   ARG  57           HE       ARG  57  -3.184  -1.780 -11.416
  406   1HH1  ARG  57          2HH1      ARG  57  -6.280  -0.358 -12.045
  407   2HH1  ARG  57          1HH1      ARG  57  -6.338  -1.108 -13.725
  408   1HH2  ARG  57          1HH2      ARG  57  -3.247  -2.511 -13.264
  409   2HH2  ARG  57          2HH2      ARG  57  -4.641  -2.205 -14.412
  410    H    ILE  58           H        ILE  58  -2.276   0.048  -5.695
  411    HA   ILE  58           HA       ILE  58  -1.192   2.861  -5.327
  412    HB   ILE  58           HB       ILE  58  -1.028   0.352  -3.592
  413   1HG1  ILE  58          1HG1      ILE  58  -2.273   3.140  -3.105
  414   2HG1  ILE  58          2HG1      ILE  58  -3.139   1.650  -3.353
  415   1HG2  ILE  58          1HG2      ILE  58   1.230   1.491  -3.433
  416   2HG2  ILE  58          2HG2      ILE  58   0.444   3.029  -3.026
  417   3HG2  ILE  58          3HG2      ILE  58   0.352   1.644  -1.915
  418   1HD1  ILE  58          1HD1      ILE  58  -2.218   0.666  -1.203
  419   2HD1  ILE  58          2HD1      ILE  58  -1.431   2.228  -0.857
  420   3HD1  ILE  58          3HD1      ILE  58  -3.202   2.132  -0.967
  421    H    ASP  59           H        ASP  59   0.719   3.490  -6.062
  422    HA   ASP  59           HA       ASP  59   2.918   1.443  -6.663
  423   1HB   ASP  59          1HB       ASP  59   3.852   3.048  -8.264
  424   2HB   ASP  59          2HB       ASP  59   2.143   2.818  -8.610
  425    H    PHE  60           H        PHE  60   5.223   2.745  -6.473
  426    HA   PHE  60           HA       PHE  60   5.754   2.232  -3.629
  427   1HB   PHE  60          1HB       PHE  60   7.390   1.943  -5.573
  428   2HB   PHE  60          2HB       PHE  60   7.565   3.664  -5.666
  429    HD1  PHE  60           HD1      PHE  60   8.667   4.976  -3.803
  430    HD2  PHE  60           HD2      PHE  60   8.689   0.681  -3.848
  431    HE1  PHE  60           HE1      PHE  60  10.495   4.970  -2.164
  432    HE2  PHE  60           HE2      PHE  60  10.524   0.682  -2.196
  433    HZ   PHE  60           HZ       PHE  60  11.430   2.828  -1.351
  434    H    ASP  61           H        ASP  61   5.023   5.217  -5.304
  435    HA   ASP  61           HA       ASP  61   5.762   7.271  -3.300
  436   1HB   ASP  61          1HB       ASP  61   5.016   8.224  -5.350
  437   2HB   ASP  61          2HB       ASP  61   3.826   6.971  -5.644
  438    H    GLU  62           H        GLU  62   2.491   6.419  -4.042
  439    HA   GLU  62           HA       GLU  62   0.928   6.683  -1.684
  440   1HB   GLU  62          1HB       GLU  62   0.783   4.366  -3.664
  441   2HB   GLU  62          2HB       GLU  62  -0.434   4.707  -2.472
  442   1HG   GLU  62          1HG       GLU  62  -0.454   7.166  -3.731
  443   2HG   GLU  62          2HG       GLU  62   0.179   6.214  -5.061
  444    H    PHE  63           H        PHE  63   3.425   4.200  -2.110
  445    HA   PHE  63           HA       PHE  63   2.651   2.500   0.258
  446   1HB   PHE  63          1HB       PHE  63   4.032   1.754  -1.774
  447   2HB   PHE  63          2HB       PHE  63   5.345   2.732  -1.214
  448    HD1  PHE  63           HD1      PHE  63   3.241  -0.151   0.086
  449    HD2  PHE  63           HD2      PHE  63   7.015   1.910   0.266
  450    HE1  PHE  63           HE1      PHE  63   4.131  -1.896   1.540
  451    HE2  PHE  63           HE2      PHE  63   7.902   0.124   1.709
  452    HZ   PHE  63           HZ       PHE  63   6.476  -1.800   2.321
  453    H    LEU  64           H        LEU  64   5.293   4.834  -0.309
  454    HA   LEU  64           HA       LEU  64   6.325   5.039   2.357
  455   1HB   LEU  64          1HB       LEU  64   6.324   7.068   0.069
  456   2HB   LEU  64          2HB       LEU  64   7.148   7.409   1.569
  457    HG   LEU  64           HG       LEU  64   7.788   5.045  -0.300
  458   1HD1  LEU  64          1HD1      LEU  64   9.243   7.739   0.165
  459   2HD1  LEU  64          2HD1      LEU  64   9.915   6.362  -0.749
  460   3HD1  LEU  64          3HD1      LEU  64   8.448   7.158  -1.324
  461   1HD2  LEU  64          1HD2      LEU  64   9.228   5.971   2.293
  462   2HD2  LEU  64          2HD2      LEU  64   8.416   4.403   2.019
  463   3HD2  LEU  64          3HD2      LEU  64   9.889   4.800   1.125
  464    H    LYS  65           H        LYS  65   3.839   7.234   0.964
  465    HA   LYS  65           HA       LYS  65   3.174   8.625   3.456
  466   1HB   LYS  65          1HB       LYS  65   1.928   8.098   0.729
  467   2HB   LYS  65          2HB       LYS  65   0.940   8.922   1.920
  468   1HG   LYS  65          1HG       LYS  65   3.118  10.584   2.017
  469   2HG   LYS  65          2HG       LYS  65   3.468   9.834   0.449
  470   1HD   LYS  65          1HD       LYS  65   1.642  10.730  -0.622
  471   2HD   LYS  65          2HD       LYS  65   0.571  10.633   0.779
  472   1HE   LYS  65          1HE       LYS  65   2.498  12.862  -0.120
  473   2HE   LYS  65          2HE       LYS  65   0.788  12.977   0.336
  474   1HZ   LYS  65          1HZ       LYS  65   1.875  12.042   2.701
  475   2HZ   LYS  65          2HZ       LYS  65   3.120  12.993   2.186
  476   3HZ   LYS  65          3HZ       LYS  65   1.625  13.603   2.406
  477    H    MET  66           H        MET  66   1.702   5.711   1.982
  478    HA   MET  66           HA       MET  66  -0.309   5.219   3.985
  479   1HB   MET  66          1HB       MET  66  -0.376   4.217   1.737
  480   2HB   MET  66          2HB       MET  66   1.096   3.315   2.028
  481   1HG   MET  66          1HG       MET  66  -0.409   2.276   4.101
  482   2HG   MET  66          2HG       MET  66  -1.700   2.633   2.938
  483   1HE   MET  66          1HE       MET  66   0.860   2.568   0.527
  484   2HE   MET  66          2HE       MET  66   0.359   1.057  -0.288
  485   3HE   MET  66          3HE       MET  66  -0.867   2.287   0.144
  486    H    MET  67           H        MET  67   3.079   4.106   4.046
  487    HA   MET  67           HA       MET  67   2.864   2.733   6.681
  488   1HB   MET  67          1HB       MET  67   4.778   2.246   5.193
  489   2HB   MET  67          2HB       MET  67   5.250   3.933   5.153
  490   1HG   MET  67          1HG       MET  67   6.768   2.659   6.656
  491   2HG   MET  67          2HG       MET  67   5.900   3.906   7.572
  492   1HE   MET  67          1HE       MET  67   6.679   0.293   6.887
  493   2HE   MET  67          2HE       MET  67   5.489  -0.682   7.809
  494   3HE   MET  67          3HE       MET  67   5.007   0.108   6.276
  495    H    GLU  68           H        GLU  68   4.103   6.009   5.796
  496    HA   GLU  68           HA       GLU  68   4.781   6.592   8.657
  497   1HB   GLU  68          1HB       GLU  68   5.283   8.011   6.037
  498   2HB   GLU  68          2HB       GLU  68   5.420   8.928   7.507
  499   1HG   GLU  68          1HG       GLU  68   7.114   6.965   8.283
  500   2HG   GLU  68          2HG       GLU  68   7.181   6.580   6.573
  501    H    GLY  69           H        GLY  69   2.632   8.262   6.329
  502   1HA   GLY  69          1HA       GLY  69   0.401   9.243   6.688
  503   2HA   GLY  69          2HA       GLY  69   0.246   7.744   7.613
  504    H    VAL  70           H        VAL  70   1.875  10.884   8.325
  505    HA   VAL  70           HA       VAL  70   1.161  10.357  11.263
  506    HB   VAL  70           HB       VAL  70   3.579  10.170  10.612
  507   1HG1  VAL  70          1HG1      VAL  70   3.428  13.234  10.145
  508   2HG1  VAL  70          2HG1      VAL  70   4.936  12.293  10.267
  509   3HG1  VAL  70          3HG1      VAL  70   3.829  12.002   8.924
  510   1HG2  VAL  70          1HG2      VAL  70   2.968  10.720  13.003
  511   2HG2  VAL  70          2HG2      VAL  70   4.498  11.459  12.557
  512   3HG2  VAL  70          3HG2      VAL  70   3.018  12.459  12.643
  513    H    GLN  71           H        GLN  71  -0.826  11.592   9.903
  514    HA   GLN  71           HA       GLN  71  -0.740  14.534  10.349
  515   1HB   GLN  71          1HB       GLN  71  -2.134  12.822   8.669
  516   2HB   GLN  71          2HB       GLN  71  -3.394  13.248   9.824
  517   1HG   GLN  71          1HG       GLN  71  -1.745  15.126   8.013
  518   2HG   GLN  71          2HG       GLN  71  -3.482  14.892   7.973
  519   1HE2  GLN  71          1HE2      GLN  71  -3.965  17.668  10.068
  520   2HE2  GLN  71          2HE2      GLN  71  -4.626  16.434   8.859
  521   1HN   NH2  72          1HN       NH2  72  -3.582  14.847  11.298
  522   2HN   NH2  72          2HN       NH2  72  -3.522  14.602  13.064
   
  No H/Q in entry =         522
  Start of MODEL   12
    1   1H    ACE   1          1HH3      ACE   1  22.324   9.827  -1.996
    2   2H    ACE   1          2HH3      ACE   1  21.702  11.496  -1.735
    3   3H    ACE   1          3HH3      ACE   1  22.924  10.798  -0.633
    4    H    LYS   2           H        LYS   2  19.577  10.243  -1.761
    5    HA   LYS   2           HA       LYS   2  18.806   9.312   0.998
    6   1HB   LYS   2          1HB       LYS   2  17.360  10.463  -1.376
    7   2HB   LYS   2          2HB       LYS   2  16.392   9.395  -0.383
    8   1HG   LYS   2          1HG       LYS   2  16.397  10.968   1.464
    9   2HG   LYS   2          2HG       LYS   2  17.989  11.569   1.075
   10   1HD   LYS   2          1HD       LYS   2  15.929  12.208  -1.036
   11   2HD   LYS   2          2HD       LYS   2  15.547  12.891   0.546
   12   1HE   LYS   2          1HE       LYS   2  18.445  13.204  -0.131
   13   2HE   LYS   2          2HE       LYS   2  17.412  14.005  -1.328
   14   1HZ   LYS   2          1HZ       LYS   2  16.613  14.475   1.531
   15   2HZ   LYS   2          2HZ       LYS   2  17.950  15.304   0.993
   16   3HZ   LYS   2          3HZ       LYS   2  16.494  15.433   0.299
   17    H    SER   3           H        SER   3  18.622   7.232   1.522
   18    HA   SER   3           HA       SER   3  19.308   5.090  -0.488
   19   1HB   SER   3          1HB       SER   3  19.749   3.725   1.387
   20   2HB   SER   3          2HB       SER   3  20.279   5.311   1.894
   21    HG   SER   3           HG       SER   3  18.599   5.516   3.239
   22    H    GLU   4           H        GLU   4  17.976   2.939  -0.323
   23    HA   GLU   4           HA       GLU   4  15.087   3.225  -0.485
   24   1HB   GLU   4          1HB       GLU   4  16.473   4.001  -3.039
   25   2HB   GLU   4          2HB       GLU   4  14.997   3.067  -3.084
   26   1HG   GLU   4          1HG       GLU   4  13.807   5.041  -2.997
   27   2HG   GLU   4          2HG       GLU   4  14.392   5.323  -1.362
   28    H    GLU   5           H        GLU   5  17.930   1.495  -1.627
   29    HA   GLU   5           HA       GLU   5  17.104  -0.965  -2.423
   30   1HB   GLU   5          1HB       GLU   5  19.391  -0.686  -2.155
   31   2HB   GLU   5          2HB       GLU   5  19.297  -0.273  -0.470
   32   1HG   GLU   5          1HG       GLU   5  18.473  -2.914  -0.273
   33   2HG   GLU   5          2HG       GLU   5  19.394  -3.040  -1.760
   34    H    GLU   6           H        GLU   6  16.574   0.024   0.937
   35    HA   GLU   6           HA       GLU   6  15.714  -2.700   1.860
   36   1HB   GLU   6          1HB       GLU   6  15.422  -0.137   3.457
   37   2HB   GLU   6          2HB       GLU   6  15.443  -1.767   4.057
   38   1HG   GLU   6          1HG       GLU   6  18.011  -1.451   2.759
   39   2HG   GLU   6          2HG       GLU   6  17.731   0.071   3.585
   40    H    LEU   7           H        LEU   7  14.016   0.380   1.262
   41    HA   LEU   7           HA       LEU   7  11.257  -0.736   1.708
   42   1HB   LEU   7          1HB       LEU   7  12.223   1.877   0.422
   43   2HB   LEU   7          2HB       LEU   7  10.535   1.470   0.606
   44    HG   LEU   7           HG       LEU   7  12.135   2.883   2.450
   45   1HD1  LEU   7          1HD1      LEU   7   9.683   3.136   2.110
   46   2HD1  LEU   7          2HD1      LEU   7   9.371   1.558   2.877
   47   3HD1  LEU   7          3HD1      LEU   7  10.044   2.907   3.827
   48   1HD2  LEU   7          1HD2      LEU   7  11.497   0.075   3.625
   49   2HD2  LEU   7          2HD2      LEU   7  13.112   0.810   3.431
   50   3HD2  LEU   7          3HD2      LEU   7  11.967   1.506   4.581
   51    H    ALA   8           H        ALA   8  13.095   0.114  -1.289
   52    HA   ALA   8           HA       ALA   8  11.510  -1.097  -3.266
   53   1HB   ALA   8          1HB       ALA   8  14.590  -1.208  -2.979
   54   2HB   ALA   8          2HB       ALA   8  13.693  -1.494  -4.484
   55   3HB   ALA   8          3HB       ALA   8  13.630   0.097  -3.716
   56    H    ASN   9           H        ASN   9  14.215  -3.125  -1.991
   57    HA   ASN   9           HA       ASN   9  13.386  -5.755  -2.163
   58   1HB   ASN   9          1HB       ASN   9  14.413  -4.302   0.366
   59   2HB   ASN   9          2HB       ASN   9  14.183  -6.028   0.337
   60   1HD2  ASN   9          1HD2      ASN   9  17.714  -5.427  -0.563
   61   2HD2  ASN   9          2HD2      ASN   9  16.628  -5.206   0.881
   62    H    ALA  10           H        ALA  10  12.066  -3.841   0.597
   63    HA   ALA  10           HA       ALA  10  10.323  -6.058   1.544
   64   1HB   ALA  10          1HB       ALA  10  11.377  -4.343   3.030
   65   2HB   ALA  10          2HB       ALA  10  10.380  -3.056   2.305
   66   3HB   ALA  10          3HB       ALA  10   9.615  -4.362   3.236
   67    H    PHE  11           H        PHE  11   9.595  -3.059  -0.288
   68    HA   PHE  11           HA       PHE  11   6.750  -3.439  -0.643
   69   1HB   PHE  11          1HB       PHE  11   7.964  -1.336  -1.126
   70   2HB   PHE  11          2HB       PHE  11   8.805  -2.066  -2.452
   71    HD1  PHE  11           HD1      PHE  11   5.209  -2.956  -2.262
   72    HD2  PHE  11           HD2      PHE  11   8.057  -0.168  -3.884
   73    HE1  PHE  11           HE1      PHE  11   3.510  -2.117  -3.837
   74    HE2  PHE  11           HE2      PHE  11   6.335   0.679  -5.424
   75    HZ   PHE  11           HZ       PHE  11   4.054  -0.251  -5.372
   76    H    ARG  12           H        ARG  12   9.367  -4.628  -2.770
   77    HA   ARG  12           HA       ARG  12   7.724  -6.348  -4.508
   78   1HB   ARG  12          1HB       ARG  12  10.613  -6.892  -3.611
   79   2HB   ARG  12          2HB       ARG  12   9.811  -7.552  -5.031
   80   1HG   ARG  12          1HG       ARG  12   9.987  -5.538  -6.260
   81   2HG   ARG  12          2HG       ARG  12   9.911  -4.504  -4.827
   82   1HD   ARG  12          1HD       ARG  12  12.255  -5.049  -4.206
   83   2HD   ARG  12          2HD       ARG  12  12.353  -6.289  -5.485
   84    HE   ARG  12           HE       ARG  12  11.623  -4.045  -6.995
   85   1HH1  ARG  12          2HH1      ARG  12  14.157  -4.460  -4.668
   86   2HH1  ARG  12          1HH1      ARG  12  15.217  -3.208  -5.478
   87   1HH2  ARG  12          1HH2      ARG  12  12.814  -2.640  -7.876
   88   2HH2  ARG  12          2HH2      ARG  12  14.469  -2.231  -7.226
   89    H    ILE  13           H        ILE  13   8.939  -6.800  -1.213
   90    HA   ILE  13           HA       ILE  13   8.713  -9.777  -1.184
   91    HB   ILE  13           HB       ILE  13   9.343  -7.702   0.962
   92   1HG1  ILE  13          1HG1      ILE  13  11.191  -8.461  -0.689
   93   2HG1  ILE  13          2HG1      ILE  13  11.569  -8.554   1.010
   94   1HG2  ILE  13          1HG2      ILE  13   8.022  -9.492   2.158
   95   2HG2  ILE  13          2HG2      ILE  13   9.071 -10.757   1.474
   96   3HG2  ILE  13          3HG2      ILE  13   9.706  -9.579   2.640
   97   1HD1  ILE  13          1HD1      ILE  13  11.136 -11.032   1.074
   98   2HD1  ILE  13          2HD1      ILE  13  10.806 -11.014  -0.676
   99   3HD1  ILE  13          3HD1      ILE  13  12.418 -10.582  -0.073
  100    H    PHE  14           H        PHE  14   6.659  -7.100  -0.222
  101    HA   PHE  14           HA       PHE  14   4.391  -8.636   1.009
  102   1HB   PHE  14          1HB       PHE  14   4.525  -5.899  -0.422
  103   2HB   PHE  14          2HB       PHE  14   3.055  -6.556   0.218
  104    HD1  PHE  14           HD1      PHE  14   6.050  -7.276   2.249
  105    HD2  PHE  14           HD2      PHE  14   2.893  -4.443   1.575
  106    HE1  PHE  14           HE1      PHE  14   6.470  -6.280   4.462
  107    HE2  PHE  14           HE2      PHE  14   3.332  -3.437   3.780
  108    HZ   PHE  14           HZ       PHE  14   5.096  -4.382   5.247
  109    H    ASP  15           H        ASP  15   5.317  -7.640  -2.276
  110    HA   ASP  15           HA       ASP  15   2.713  -8.165  -3.470
  111   1HB   ASP  15          1HB       ASP  15   4.323  -6.426  -4.243
  112   2HB   ASP  15          2HB       ASP  15   5.455  -7.653  -4.789
  113    H    LYS  16           H        LYS  16   2.120  -9.700  -5.226
  114    HA   LYS  16           HA       LYS  16   3.234 -12.432  -4.592
  115   1HB   LYS  16          1HB       LYS  16   0.263 -11.780  -4.096
  116   2HB   LYS  16          2HB       LYS  16   0.948 -13.380  -4.033
  117   1HG   LYS  16          1HG       LYS  16   2.521 -11.907  -2.145
  118   2HG   LYS  16          2HG       LYS  16   0.939 -11.149  -2.020
  119   1HD   LYS  16          1HD       LYS  16   1.271 -13.044  -0.369
  120   2HD   LYS  16          2HD       LYS  16  -0.155 -13.187  -1.393
  121   1HE   LYS  16          1HE       LYS  16   1.719 -14.635  -2.903
  122   2HE   LYS  16          2HE       LYS  16   2.155 -15.076  -1.240
  123   1HZ   LYS  16          1HZ       LYS  16  -0.527 -15.148  -0.994
  124   2HZ   LYS  16          2HZ       LYS  16  -0.514 -15.486  -2.602
  125   3HZ   LYS  16          3HZ       LYS  16   0.258 -16.472  -1.524
  126    H    ASN  17           H        ASN  17   2.936 -10.546  -6.943
  127    HA   ASN  17           HA       ASN  17   2.479 -12.684  -8.991
  128   1HB   ASN  17          1HB       ASN  17   0.482 -11.951  -9.964
  129   2HB   ASN  17          2HB       ASN  17   0.156 -11.865  -8.254
  130   1HD2  ASN  17          1HD2      ASN  17  -0.495  -8.635 -10.461
  131   2HD2  ASN  17          2HD2      ASN  17   0.353 -10.032 -11.201
  132    H    ALA  18           H        ALA  18   2.676  -9.070  -8.708
  133    HA   ALA  18           HA       ALA  18   4.791  -7.877  -8.961
  134   1HB   ALA  18          1HB       ALA  18   5.904 -10.125  -8.680
  135   2HB   ALA  18          2HB       ALA  18   5.687 -10.444 -10.415
  136   3HB   ALA  18          3HB       ALA  18   6.747  -9.123  -9.893
  137    H    ASP  19           H        ASP  19   2.560  -7.558 -10.743
  138    HA   ASP  19           HA       ASP  19   3.729  -6.476 -13.301
  139   1HB   ASP  19          1HB       ASP  19   1.100  -5.881 -11.800
  140   2HB   ASP  19          2HB       ASP  19   1.537  -5.125 -13.325
  141    H    GLY  20           H        GLY  20   3.465  -5.371  -9.951
  142   1HA   GLY  20          1HA       GLY  20   5.857  -4.007  -9.548
  143   2HA   GLY  20          2HA       GLY  20   5.035  -2.869 -10.627
  144    H    TYR  21           H        TYR  21   2.384  -3.742  -9.151
  145    HA   TYR  21           HA       TYR  21   2.652  -1.390  -7.174
  146   1HB   TYR  21          1HB       TYR  21  -0.085  -1.817  -8.296
  147   2HB   TYR  21          2HB       TYR  21   0.778  -0.344  -7.964
  148    HD1  TYR  21           HD1      TYR  21   0.389  -3.039 -10.565
  149    HD2  TYR  21           HD2      TYR  21   1.793   0.934  -9.701
  150    HE1  TYR  21           HE1      TYR  21   0.733  -2.614 -12.976
  151    HE2  TYR  21           HE2      TYR  21   2.132   1.327 -12.109
  152    HH   TYR  21           HH       TYR  21   2.514   0.144 -14.099
  153    H    ILE  22           H        ILE  22   0.966  -1.363  -5.498
  154    HA   ILE  22           HA       ILE  22  -0.017  -4.122  -4.586
  155    HB   ILE  22           HB       ILE  22  -0.131  -1.554  -2.926
  156   1HG1  ILE  22          1HG1      ILE  22   2.210  -3.461  -3.272
  157   2HG1  ILE  22          2HG1      ILE  22   2.209  -1.745  -2.972
  158   1HG2  ILE  22          1HG2      ILE  22  -1.698  -3.392  -2.157
  159   2HG2  ILE  22          2HG2      ILE  22  -0.343  -4.532  -2.056
  160   3HG2  ILE  22          3HG2      ILE  22  -0.439  -3.128  -0.963
  161   1HD1  ILE  22          1HD1      ILE  22   1.513  -2.114  -0.549
  162   2HD1  ILE  22          2HD1      ILE  22   1.713  -3.866  -0.805
  163   3HD1  ILE  22          3HD1      ILE  22   3.108  -2.781  -0.979
  164    H    ASP  23           H        ASP  23  -2.239  -4.204  -3.729
  165    HA   ASP  23           HA       ASP  23  -4.200  -2.471  -5.309
  166   1HB   ASP  23          1HB       ASP  23  -5.512  -4.548  -5.923
  167   2HB   ASP  23          2HB       ASP  23  -3.918  -4.480  -6.662
  168    H    ILE  24           H        ILE  24  -6.559  -3.327  -4.582
  169    HA   ILE  24           HA       ILE  24  -6.885  -2.355  -1.756
  170    HB   ILE  24           HB       ILE  24  -8.513  -1.978  -3.788
  171   1HG1  ILE  24          1HG1      ILE  24  -9.573  -0.863  -2.092
  172   2HG1  ILE  24          2HG1      ILE  24 -10.575  -2.280  -1.928
  173   1HG2  ILE  24          1HG2      ILE  24  -9.013  -4.408  -4.317
  174   2HG2  ILE  24          2HG2      ILE  24  -9.713  -4.631  -2.702
  175   3HG2  ILE  24          3HG2      ILE  24 -10.490  -3.560  -3.895
  176   1HD1  ILE  24          1HD1      ILE  24  -9.009  -3.247  -0.169
  177   2HD1  ILE  24          2HD1      ILE  24  -8.109  -1.711  -0.185
  178   3HD1  ILE  24          3HD1      ILE  24  -9.816  -1.730   0.307
  179    H    GLU  25           H        GLU  25  -6.879  -5.479  -3.376
  180    HA   GLU  25           HA       GLU  25  -7.914  -7.057  -1.044
  181   1HB   GLU  25          1HB       GLU  25  -8.051  -7.595  -3.620
  182   2HB   GLU  25          2HB       GLU  25  -6.475  -8.296  -3.417
  183   1HG   GLU  25          1HG       GLU  25  -7.908  -9.575  -1.334
  184   2HG   GLU  25          2HG       GLU  25  -9.159  -9.365  -2.546
  185    H    GLU  26           H        GLU  26  -4.750  -6.129  -2.229
  186    HA   GLU  26           HA       GLU  26  -3.212  -7.866  -0.325
  187   1HB   GLU  26          1HB       GLU  26  -2.279  -5.662  -2.214
  188   2HB   GLU  26          2HB       GLU  26  -1.199  -6.539  -1.174
  189   1HG   GLU  26          1HG       GLU  26  -1.786  -8.715  -2.385
  190   2HG   GLU  26          2HG       GLU  26  -2.899  -7.843  -3.423
  191    H    LEU  27           H        LEU  27  -4.405  -4.579  -0.278
  192    HA   LEU  27           HA       LEU  27  -2.889  -3.287   1.869
  193   1HB   LEU  27          1HB       LEU  27  -4.580  -2.163   0.440
  194   2HB   LEU  27          2HB       LEU  27  -5.870  -3.097   1.151
  195    HG   LEU  27           HG       LEU  27  -4.384  -1.663   3.278
  196   1HD1  LEU  27          1HD1      LEU  27  -3.850  -0.055   1.445
  197   2HD1  LEU  27          2HD1      LEU  27  -5.582   0.110   1.036
  198   3HD1  LEU  27          3HD1      LEU  27  -4.956   0.655   2.619
  199   1HD2  LEU  27          1HD2      LEU  27  -7.331  -1.421   2.314
  200   2HD2  LEU  27          2HD2      LEU  27  -6.727  -2.530   3.581
  201   3HD2  LEU  27          3HD2      LEU  27  -6.659  -0.783   3.840
  202    H    GLY  28           H        GLY  28  -5.845  -5.317   2.222
  203   1HA   GLY  28          1HA       GLY  28  -5.955  -5.043   5.211
  204   2HA   GLY  28          2HA       GLY  28  -6.957  -6.123   4.233
  205    H    GLU  29           H        GLU  29  -4.989  -7.676   2.996
  206    HA   GLU  29           HA       GLU  29  -4.297  -9.655   5.131
  207   1HB   GLU  29          1HB       GLU  29  -3.983  -9.591   2.125
  208   2HB   GLU  29          2HB       GLU  29  -3.036 -10.731   3.032
  209   1HG   GLU  29          1HG       GLU  29  -6.135 -10.611   3.149
  210   2HG   GLU  29          2HG       GLU  29  -5.234 -11.679   2.088
  211    H    ILE  30           H        ILE  30  -2.512  -7.218   3.328
  212    HA   ILE  30           HA       ILE  30   0.211  -7.584   4.431
  213    HB   ILE  30           HB       ILE  30  -1.329  -5.185   3.403
  214   1HG1  ILE  30          1HG1      ILE  30   1.515  -6.084   2.613
  215   2HG1  ILE  30          2HG1      ILE  30   0.102  -6.812   1.901
  216   1HG2  ILE  30          1HG2      ILE  30  -0.140  -4.255   5.423
  217   2HG2  ILE  30          2HG2      ILE  30   1.407  -4.926   4.845
  218   3HG2  ILE  30          3HG2      ILE  30   0.578  -3.627   3.943
  219   1HD1  ILE  30          1HD1      ILE  30   0.708  -3.793   1.619
  220   2HD1  ILE  30          2HD1      ILE  30   0.948  -5.063   0.401
  221   3HD1  ILE  30          3HD1      ILE  30  -0.693  -4.663   0.943
  222    H    LEU  31           H        LEU  31  -2.388  -5.445   5.653
  223    HA   LEU  31           HA       LEU  31  -0.922  -4.654   8.033
  224   1HB   LEU  31          1HB       LEU  31  -3.136  -3.742   8.889
  225   2HB   LEU  31          2HB       LEU  31  -2.585  -3.129   7.349
  226    HG   LEU  31           HG       LEU  31  -4.193  -4.911   6.246
  227   1HD1  LEU  31          1HD1      LEU  31  -5.319  -4.859   9.127
  228   2HD1  LEU  31          2HD1      LEU  31  -6.170  -5.503   7.698
  229   3HD1  LEU  31          3HD1      LEU  31  -4.670  -6.263   8.236
  230   1HD2  LEU  31          1HD2      LEU  31  -5.326  -2.474   7.799
  231   2HD2  LEU  31          2HD2      LEU  31  -4.725  -2.485   6.117
  232   3HD2  LEU  31          3HD2      LEU  31  -6.200  -3.366   6.526
  233    H    ARG  32           H        ARG  32  -2.875  -7.475   7.569
  234    HA   ARG  32           HA       ARG  32  -3.016  -8.037  10.572
  235   1HB   ARG  32          1HB       ARG  32  -5.010  -7.675   8.937
  236   2HB   ARG  32          2HB       ARG  32  -4.657  -9.268   8.271
  237   1HG   ARG  32          1HG       ARG  32  -5.197 -10.352  10.421
  238   2HG   ARG  32          2HG       ARG  32  -5.119  -8.806  11.287
  239   1HD   ARG  32          1HD       ARG  32  -7.131  -8.994   8.991
  240   2HD   ARG  32          2HD       ARG  32  -7.507  -9.921  10.460
  241    HE   ARG  32           HE       ARG  32  -7.339  -6.905  10.269
  242   1HH1  ARG  32          2HH1      ARG  32  -7.570  -9.614  12.431
  243   2HH1  ARG  32          1HH1      ARG  32  -8.253  -8.579  13.774
  244   1HH2  ARG  32          1HH2      ARG  32  -8.087  -5.768  11.811
  245   2HH2  ARG  32          2HH2      ARG  32  -8.505  -6.507  13.424
  246    H    ALA  33           H        ALA  33  -1.548  -9.255   7.655
  247    HA   ALA  33           HA       ALA  33  -0.969 -11.979   8.436
  248   1HB   ALA  33          1HB       ALA  33  -0.845 -11.099   6.110
  249   2HB   ALA  33          2HB       ALA  33   0.576 -10.103   6.526
  250   3HB   ALA  33          3HB       ALA  33   0.683 -11.876   6.557
  251    H    THR  34           H        THR  34   0.767  -9.063   9.342
  252    HA   THR  34           HA       THR  34   3.420 -10.371   9.464
  253    HB   THR  34           HB       THR  34   2.448  -7.518   9.985
  254    HG1  THR  34           HG1      THR  34   4.410  -8.592   8.234
  255   1HG2  THR  34          2HG2      THR  34   4.364  -8.065  11.626
  256   2HG2  THR  34          3HG2      THR  34   5.388  -8.479  10.225
  257   3HG2  THR  34          1HG2      THR  34   4.802  -6.818  10.429
  258    H    GLY  35           H        GLY  35   4.000 -11.646  11.056
  259   1HA   GLY  35          1HA       GLY  35   5.015 -10.481  13.438
  260   2HA   GLY  35          2HA       GLY  35   3.539 -11.268  14.009
  261   1HN   NH2  36          1HN       NH2  36   5.335 -12.881  11.371
  262   2HN   NH2  36          2HN       NH2  36   5.991 -14.203  12.375
  263   1H    ACE  37          1HH3      ACE  37 -14.561  -7.225  13.308
  264   2H    ACE  37          2HH3      ACE  37 -16.006  -7.600  12.308
  265   3H    ACE  37          3HH3      ACE  37 -14.842  -8.885  12.719
  266    H    VAL  38           H        VAL  38 -15.161  -5.862  10.817
  267    HA   VAL  38           HA       VAL  38 -13.406  -4.661   9.542
  268    HB   VAL  38           HB       VAL  38 -11.602  -7.113   9.652
  269   1HG1  VAL  38          1HG1      VAL  38 -11.030  -4.071   9.385
  270   2HG1  VAL  38          2HG1      VAL  38  -9.768  -5.317   9.518
  271   3HG1  VAL  38          3HG1      VAL  38 -10.845  -5.298   8.119
  272   1HG2  VAL  38          1HG2      VAL  38 -12.128  -6.600  12.076
  273   2HG2  VAL  38          2HG2      VAL  38 -10.451  -6.157  11.689
  274   3HG2  VAL  38          3HG2      VAL  38 -11.701  -4.895  11.813
  275    H    THR  39           H        THR  39 -14.975  -4.780   7.925
  276    HA   THR  39           HA       THR  39 -14.994  -7.216   6.058
  277    HB   THR  39           HB       THR  39 -17.290  -5.792   5.347
  278    HG1  THR  39           HG1      THR  39 -18.259  -6.004   7.631
  279   1HG2  THR  39          2HG2      THR  39 -17.032  -8.143   7.352
  280   2HG2  THR  39          3HG2      THR  39 -18.514  -7.699   6.470
  281   3HG2  THR  39          1HG2      THR  39 -17.095  -8.285   5.579
  282    H    GLU  40           H        GLU  40 -16.130  -6.027   3.843
  283    HA   GLU  40           HA       GLU  40 -13.594  -4.941   2.710
  284   1HB   GLU  40          1HB       GLU  40 -14.646  -6.752   1.566
  285   2HB   GLU  40          2HB       GLU  40 -16.171  -5.933   1.426
  286   1HG   GLU  40          1HG       GLU  40 -13.592  -5.129  -0.100
  287   2HG   GLU  40          2HG       GLU  40 -14.927  -6.042  -0.780
  288    H    GLU  41           H        GLU  41 -16.955  -3.673   2.491
  289    HA   GLU  41           HA       GLU  41 -16.352  -1.084   1.517
  290   1HB   GLU  41          1HB       GLU  41 -18.537  -0.328   2.490
  291   2HB   GLU  41          2HB       GLU  41 -18.589  -1.717   1.446
  292   1HG   GLU  41          1HG       GLU  41 -18.829  -3.240   3.508
  293   2HG   GLU  41          2HG       GLU  41 -18.808  -1.824   4.543
  294    H    ASP  42           H        ASP  42 -16.001  -2.103   4.849
  295    HA   ASP  42           HA       ASP  42 -15.470   0.571   6.080
  296   1HB   ASP  42          1HB       ASP  42 -14.929  -2.331   6.948
  297   2HB   ASP  42          2HB       ASP  42 -14.372  -0.966   7.906
  298    H    ILE  43           H        ILE  43 -13.370  -1.994   4.765
  299    HA   ILE  43           HA       ILE  43 -10.787  -0.505   5.089
  300    HB   ILE  43           HB       ILE  43 -11.569  -3.007   3.544
  301   1HG1  ILE  43          1HG1      ILE  43  -9.194  -2.770   5.477
  302   2HG1  ILE  43          2HG1      ILE  43 -10.807  -2.899   6.124
  303   1HG2  ILE  43          1HG2      ILE  43  -9.983  -1.809   1.987
  304   2HG2  ILE  43          2HG2      ILE  43  -8.808  -1.599   3.301
  305   3HG2  ILE  43          3HG2      ILE  43  -9.189  -3.221   2.670
  306   1HD1  ILE  43          1HD1      ILE  43 -11.209  -5.077   4.900
  307   2HD1  ILE  43          2HD1      ILE  43  -9.514  -5.055   4.345
  308   3HD1  ILE  43          3HD1      ILE  43  -9.882  -5.142   6.081
  309    H    GLU  44           H        GLU  44 -13.301  -0.687   2.636
  310    HA   GLU  44           HA       GLU  44 -11.873   0.877   0.517
  311   1HB   GLU  44          1HB       GLU  44 -13.451   0.075  -0.778
  312   2HB   GLU  44          2HB       GLU  44 -14.187  -0.723   0.578
  313   1HG   GLU  44          1HG       GLU  44 -16.078   0.582   0.389
  314   2HG   GLU  44          2HG       GLU  44 -15.160   2.068   0.545
  315    H    ASP  45           H        ASP  45 -13.907   1.661   3.256
  316    HA   ASP  45           HA       ASP  45 -14.122   4.607   2.699
  317   1HB   ASP  45          1HB       ASP  45 -14.730   2.883   5.177
  318   2HB   ASP  45          2HB       ASP  45 -14.932   4.630   5.167
  319    H    LEU  46           H        LEU  46 -12.120   2.618   4.885
  320    HA   LEU  46           HA       LEU  46 -10.313   4.769   5.827
  321   1HB   LEU  46          1HB       LEU  46 -10.611   2.555   6.923
  322   2HB   LEU  46          2HB       LEU  46  -9.845   1.736   5.583
  323    HG   LEU  46           HG       LEU  46  -8.234   3.866   7.086
  324   1HD1  LEU  46          1HD1      LEU  46  -9.317   2.385   8.822
  325   2HD1  LEU  46          2HD1      LEU  46  -8.570   0.968   8.068
  326   3HD1  LEU  46          3HD1      LEU  46  -7.537   2.230   8.802
  327   1HD2  LEU  46          1HD2      LEU  46  -7.482   1.224   5.681
  328   2HD2  LEU  46          2HD2      LEU  46  -7.104   2.872   5.100
  329   3HD2  LEU  46          3HD2      LEU  46  -6.339   2.224   6.581
  330    H    MET  47           H        MET  47  -9.629   2.383   3.238
  331    HA   MET  47           HA       MET  47  -7.253   3.585   2.202
  332   1HB   MET  47          1HB       MET  47  -7.996   1.355   1.503
  333   2HB   MET  47          2HB       MET  47  -9.423   2.005   0.715
  334   1HG   MET  47          1HG       MET  47  -8.095   3.097  -1.064
  335   2HG   MET  47          2HG       MET  47  -6.577   2.717  -0.231
  336   1HE   MET  47          1HE       MET  47  -6.016   1.914  -2.708
  337   2HE   MET  47          2HE       MET  47  -5.161   1.089  -1.372
  338   3HE   MET  47          3HE       MET  47  -5.781   0.132  -2.748
  339    H    LYS  48           H        LYS  48 -10.612   4.427   1.348
  340    HA   LYS  48           HA       LYS  48  -9.835   6.629  -0.527
  341   1HB   LYS  48          1HB       LYS  48 -12.484   5.685   0.685
  342   2HB   LYS  48          2HB       LYS  48 -12.443   7.049  -0.389
  343   1HG   LYS  48          1HG       LYS  48 -11.331   5.380  -2.166
  344   2HG   LYS  48          2HG       LYS  48 -11.665   4.113  -1.028
  345   1HD   LYS  48          1HD       LYS  48 -13.689   3.816  -1.929
  346   2HD   LYS  48          2HD       LYS  48 -14.240   5.283  -1.191
  347   1HE   LYS  48          1HE       LYS  48 -12.893   5.255  -4.004
  348   2HE   LYS  48          2HE       LYS  48 -14.605   4.938  -3.788
  349   1HZ   LYS  48          1HZ       LYS  48 -14.427   7.220  -2.336
  350   2HZ   LYS  48          2HZ       LYS  48 -13.223   7.561  -3.307
  351   3HZ   LYS  48          3HZ       LYS  48 -14.730   7.289  -3.939
  352    H    ASP  49           H        ASP  49 -10.061   6.438   2.894
  353    HA   ASP  49           HA       ASP  49  -9.999   9.422   3.352
  354   1HB   ASP  49          1HB       ASP  49 -10.557   7.782   5.199
  355   2HB   ASP  49          2HB       ASP  49  -8.916   7.154   5.145
  356    H    SER  50           H        SER  50  -7.387   6.919   3.128
  357    HA   SER  50           HA       SER  50  -5.239   8.948   3.637
  358   1HB   SER  50          1HB       SER  50  -3.695   6.950   3.119
  359   2HB   SER  50          2HB       SER  50  -4.786   6.735   4.484
  360    HG   SER  50           HG       SER  50  -6.039   5.389   3.319
  361    H    ASP  51           H        ASP  51  -6.604   7.357   0.769
  362    HA   ASP  51           HA       ASP  51  -4.409   7.865  -1.157
  363   1HB   ASP  51          1HB       ASP  51  -6.444   6.179  -1.259
  364   2HB   ASP  51          2HB       ASP  51  -7.373   7.529  -1.896
  365    H    LYS  52           H        LYS  52  -3.847   9.596  -2.246
  366    HA   LYS  52           HA       LYS  52  -5.426  12.186  -2.323
  367   1HB   LYS  52          1HB       LYS  52  -3.556  12.691  -4.108
  368   2HB   LYS  52          2HB       LYS  52  -3.189  12.790  -2.414
  369   1HG   LYS  52          1HG       LYS  52  -2.649  10.145  -3.941
  370   2HG   LYS  52          2HG       LYS  52  -1.606  11.502  -4.225
  371   1HD   LYS  52          1HD       LYS  52  -1.387  11.644  -1.562
  372   2HD   LYS  52          2HD       LYS  52  -1.907   9.991  -1.553
  373   1HE   LYS  52          1HE       LYS  52   0.530   9.885  -1.571
  374   2HE   LYS  52          2HE       LYS  52   0.073   9.483  -3.226
  375   1HZ   LYS  52          1HZ       LYS  52   0.271  12.112  -3.606
  376   2HZ   LYS  52          2HZ       LYS  52   1.152  12.171  -2.291
  377   3HZ   LYS  52          3HZ       LYS  52   1.663  11.260  -3.577
  378    H    ASN  53           H        ASN  53  -4.016  10.742  -5.196
  379    HA   ASN  53           HA       ASN  53  -5.891  12.121  -6.814
  380   1HB   ASN  53          1HB       ASN  53  -4.906  10.656  -8.761
  381   2HB   ASN  53          2HB       ASN  53  -3.797  11.618  -7.823
  382   1HD2  ASN  53          1HD2      ASN  53  -3.303   7.623  -7.897
  383   2HD2  ASN  53          2HD2      ASN  53  -4.675   8.435  -8.776
  384    H    ASN  54           H        ASN  54  -6.278   8.848  -5.645
  385    HA   ASN  54           HA       ASN  54  -8.160   7.349  -5.667
  386   1HB   ASN  54          1HB       ASN  54  -9.501  10.053  -6.297
  387   2HB   ASN  54          2HB       ASN  54 -10.447   8.590  -6.315
  388   1HD2  ASN  54          1HD2      ASN  54 -10.053  10.320  -2.843
  389   2HD2  ASN  54          2HD2      ASN  54  -9.999  11.098  -4.488
  390    H    ASP  55           H        ASP  55  -6.939   6.369  -7.497
  391    HA   ASP  55           HA       ASP  55  -9.051   5.818  -9.629
  392   1HB   ASP  55          1HB       ASP  55  -7.615   6.085 -11.463
  393   2HB   ASP  55          2HB       ASP  55  -7.033   7.361 -10.403
  394    H    GLY  56           H        GLY  56  -7.651   4.508  -7.087
  395   1HA   GLY  56          1HA       GLY  56  -8.829   2.386  -6.528
  396   2HA   GLY  56          2HA       GLY  56  -8.548   1.826  -8.182
  397    H    ARG  57           H        ARG  57  -5.616   2.500  -7.998
  398    HA   ARG  57           HA       ARG  57  -4.705   0.176  -6.235
  399   1HB   ARG  57          1HB       ARG  57  -3.547   1.352  -8.833
  400   2HB   ARG  57          2HB       ARG  57  -2.771   0.064  -7.912
  401   1HG   ARG  57          1HG       ARG  57  -5.050  -1.262  -8.171
  402   2HG   ARG  57          2HG       ARG  57  -5.515  -0.031  -9.343
  403   1HD   ARG  57          1HD       ARG  57  -3.712  -0.657 -10.884
  404   2HD   ARG  57          2HD       ARG  57  -2.832  -1.515  -9.620
  405    HE   ARG  57           HE       ARG  57  -4.368  -3.409  -9.636
  406   1HH1  ARG  57          2HH1      ARG  57  -5.377  -1.059 -11.974
  407   2HH1  ARG  57          1HH1      ARG  57  -6.653  -2.204 -12.646
  408   1HH2  ARG  57          1HH2      ARG  57  -5.715  -4.641 -10.433
  409   2HH2  ARG  57          2HH2      ARG  57  -6.768  -4.182 -11.859
  410    H    ILE  58           H        ILE  58  -2.672   0.220  -5.139
  411    HA   ILE  58           HA       ILE  58  -1.376   2.940  -4.688
  412    HB   ILE  58           HB       ILE  58  -1.297   0.355  -3.056
  413   1HG1  ILE  58          1HG1      ILE  58  -2.399   3.172  -2.401
  414   2HG1  ILE  58          2HG1      ILE  58  -3.352   1.753  -2.731
  415   1HG2  ILE  58          1HG2      ILE  58   1.004   1.403  -2.925
  416   2HG2  ILE  58          2HG2      ILE  58   0.290   2.954  -2.441
  417   3HG2  ILE  58          3HG2      ILE  58   0.178   1.533  -1.376
  418   1HD1  ILE  58          1HD1      ILE  58  -2.464   0.579  -0.666
  419   2HD1  ILE  58          2HD1      ILE  58  -1.584   2.067  -0.231
  420   3HD1  ILE  58          3HD1      ILE  58  -3.359   2.079  -0.319
  421    H    ASP  59           H        ASP  59   0.531   3.439  -5.561
  422    HA   ASP  59           HA       ASP  59   2.573   1.228  -6.138
  423   1HB   ASP  59          1HB       ASP  59   3.453   2.689  -7.953
  424   2HB   ASP  59          2HB       ASP  59   1.743   2.348  -8.182
  425    H    PHE  60           H        PHE  60   4.914   2.758  -6.404
  426    HA   PHE  60           HA       PHE  60   5.766   2.126  -3.637
  427   1HB   PHE  60          1HB       PHE  60   7.120   1.964  -5.873
  428   2HB   PHE  60          2HB       PHE  60   7.407   3.667  -5.728
  429    HD1  PHE  60           HD1      PHE  60   7.390   2.101  -2.429
  430    HD2  PHE  60           HD2      PHE  60   9.841   2.796  -5.887
  431    HE1  PHE  60           HE1      PHE  60   9.421   1.762  -1.068
  432    HE2  PHE  60           HE2      PHE  60  11.856   2.434  -4.533
  433    HZ   PHE  60           HZ       PHE  60  11.660   1.963  -2.112
  434    H    ASP  61           H        ASP  61   4.819   5.131  -5.166
  435    HA   ASP  61           HA       ASP  61   5.884   7.156  -3.276
  436   1HB   ASP  61          1HB       ASP  61   4.928   8.140  -5.220
  437   2HB   ASP  61          2HB       ASP  61   3.662   6.935  -5.363
  438    H    GLU  62           H        GLU  62   2.515   6.439  -3.606
  439    HA   GLU  62           HA       GLU  62   1.271   6.732  -1.066
  440   1HB   GLU  62          1HB       GLU  62   0.576   4.209  -2.539
  441   2HB   GLU  62          2HB       GLU  62  -0.460   5.373  -1.769
  442   1HG   GLU  62          1HG       GLU  62   0.586   6.900  -3.920
  443   2HG   GLU  62          2HG       GLU  62   0.525   5.293  -4.620
  444    H    PHE  63           H        PHE  63   3.610   4.189  -1.815
  445    HA   PHE  63           HA       PHE  63   3.089   2.487   0.620
  446   1HB   PHE  63          1HB       PHE  63   4.267   1.760  -1.582
  447   2HB   PHE  63          2HB       PHE  63   5.660   2.645  -1.061
  448    HD1  PHE  63           HD1      PHE  63   6.485   2.073   1.534
  449    HD2  PHE  63           HD2      PHE  63   4.174  -0.600  -0.922
  450    HE1  PHE  63           HE1      PHE  63   7.543   0.131   2.624
  451    HE2  PHE  63           HE2      PHE  63   5.194  -2.512   0.211
  452    HZ   PHE  63           HZ       PHE  63   6.967  -2.161   1.899
  453    H    LEU  64           H        LEU  64   5.730   4.736  -0.238
  454    HA   LEU  64           HA       LEU  64   6.998   4.990   2.330
  455   1HB   LEU  64          1HB       LEU  64   6.814   6.964   0.000
  456   2HB   LEU  64          2HB       LEU  64   7.768   7.330   1.414
  457    HG   LEU  64           HG       LEU  64   8.230   4.830  -0.325
  458   1HD1  LEU  64          1HD1      LEU  64   9.598   7.606  -0.452
  459   2HD1  LEU  64          2HD1      LEU  64  10.197   6.136  -1.267
  460   3HD1  LEU  64          3HD1      LEU  64   8.622   6.800  -1.711
  461   1HD2  LEU  64          1HD2      LEU  64   9.990   6.152   1.869
  462   2HD2  LEU  64          2HD2      LEU  64   9.228   4.536   1.934
  463   3HD2  LEU  64          3HD2      LEU  64  10.530   4.850   0.778
  464    H    LYS  65           H        LYS  65   4.228   6.923   1.159
  465    HA   LYS  65           HA       LYS  65   3.791   8.358   3.720
  466   1HB   LYS  65          1HB       LYS  65   2.399   7.817   1.081
  467   2HB   LYS  65          2HB       LYS  65   1.399   8.487   2.355
  468   1HG   LYS  65          1HG       LYS  65   4.042   9.900   1.687
  469   2HG   LYS  65          2HG       LYS  65   2.744   9.957   0.480
  470   1HD   LYS  65          1HD       LYS  65   2.204  10.597   3.427
  471   2HD   LYS  65          2HD       LYS  65   2.790  11.865   2.345
  472   1HE   LYS  65          1HE       LYS  65   0.554  12.279   1.855
  473   2HE   LYS  65          2HE       LYS  65   0.521  10.726   0.999
  474   1HZ   LYS  65          1HZ       LYS  65   0.286   9.830   3.587
  475   2HZ   LYS  65          2HZ       LYS  65  -0.511  11.265   3.750
  476   3HZ   LYS  65          3HZ       LYS  65  -0.994  10.147   2.666
  477    H    MET  66           H        MET  66   2.047   5.513   2.321
  478    HA   MET  66           HA       MET  66   0.594   4.605   4.540
  479   1HB   MET  66          1HB       MET  66   0.228   3.354   2.607
  480   2HB   MET  66          2HB       MET  66   1.930   3.232   2.211
  481   1HG   MET  66          1HG       MET  66   2.324   1.330   3.564
  482   2HG   MET  66          2HG       MET  66   0.957   1.655   4.647
  483   1HE   MET  66          1HE       MET  66   2.296  -0.090   1.551
  484   2HE   MET  66          2HE       MET  66   1.916  -1.062   3.007
  485   3HE   MET  66          3HE       MET  66   1.033  -1.356   1.480
  486    H    MET  67           H        MET  67   4.139   4.248   4.304
  487    HA   MET  67           HA       MET  67   4.363   2.996   7.002
  488   1HB   MET  67          1HB       MET  67   6.432   4.505   5.273
  489   2HB   MET  67          2HB       MET  67   6.807   3.769   6.818
  490   1HG   MET  67          1HG       MET  67   5.568   1.625   5.414
  491   2HG   MET  67          2HG       MET  67   6.549   2.437   4.178
  492   1HE   MET  67          1HE       MET  67   6.322  -0.064   6.792
  493   2HE   MET  67          2HE       MET  67   7.895  -0.167   7.649
  494   3HE   MET  67          3HE       MET  67   6.735   1.137   8.053
  495    H    GLU  68           H        GLU  68   5.031   6.323   5.846
  496    HA   GLU  68           HA       GLU  68   5.811   7.342   8.412
  497   1HB   GLU  68          1HB       GLU  68   6.579   8.301   6.330
  498   2HB   GLU  68          2HB       GLU  68   4.989   8.843   5.885
  499   1HG   GLU  68          1HG       GLU  68   5.201  10.833   7.075
  500   2HG   GLU  68          2HG       GLU  68   5.858  10.048   8.500
  501    H    GLY  69           H        GLY  69   2.575   7.364   7.047
  502   1HA   GLY  69          1HA       GLY  69   0.559   7.366   8.497
  503   2HA   GLY  69          2HA       GLY  69   1.452   8.287   9.713
  504    H    VAL  70           H        VAL  70   0.897  10.408   9.942
  505    HA   VAL  70           HA       VAL  70   0.058  11.995   7.454
  506    HB   VAL  70           HB       VAL  70  -0.221  12.746  10.417
  507   1HG1  VAL  70          1HG1      VAL  70  -1.230  14.251   7.896
  508   2HG1  VAL  70          2HG1      VAL  70  -1.673  14.657   9.574
  509   3HG1  VAL  70          3HG1      VAL  70   0.002  14.829   9.044
  510   1HG2  VAL  70          1HG2      VAL  70  -1.860  10.946   9.736
  511   2HG2  VAL  70          2HG2      VAL  70  -2.689  12.456  10.079
  512   3HG2  VAL  70          3HG2      VAL  70  -2.437  11.945   8.384
  513    H    GLN  71           H        GLN  71   1.197  13.935   6.927
  514    HA   GLN  71           HA       GLN  71   3.910  14.343   7.123
  515   1HB   GLN  71          1HB       GLN  71   1.783  16.552   7.261
  516   2HB   GLN  71          2HB       GLN  71   3.484  16.845   6.906
  517   1HG   GLN  71          1HG       GLN  71   3.348  15.477   4.833
  518   2HG   GLN  71          2HG       GLN  71   1.742  14.890   5.222
  519   1HE2  GLN  71          1HE2      GLN  71   0.479  18.355   4.418
  520   2HE2  GLN  71          2HE2      GLN  71   0.593  17.377   5.982
  521   1HN   NH2  72          1HN       NH2  72   2.165  16.645   9.352
  522   2HN   NH2  72          2HN       NH2  72   3.186  16.325  10.779
   
  No H/Q in entry =         522
  Start of MODEL   13
    1   1H    ACE   1          1HH3      ACE   1  15.772   6.940   7.139
    2   2H    ACE   1          2HH3      ACE   1  14.525   8.220   6.925
    3   3H    ACE   1          3HH3      ACE   1  14.200   6.799   7.958
    4    H    LYS   2           H        LYS   2  15.513   7.114   4.629
    5    HA   LYS   2           HA       LYS   2  13.777   4.977   3.561
    6   1HB   LYS   2          1HB       LYS   2  12.711   6.702   1.809
    7   2HB   LYS   2          2HB       LYS   2  11.874   6.246   3.277
    8   1HG   LYS   2          1HG       LYS   2  11.777   8.756   2.838
    9   2HG   LYS   2          2HG       LYS   2  12.561   8.417   4.359
   10   1HD   LYS   2          1HD       LYS   2  14.829   8.501   2.835
   11   2HD   LYS   2          2HD       LYS   2  13.803   9.433   1.743
   12   1HE   LYS   2          1HE       LYS   2  13.399  11.180   3.307
   13   2HE   LYS   2          2HE       LYS   2  13.795  10.203   4.733
   14   1HZ   LYS   2          1HZ       LYS   2  15.861  10.800   2.596
   15   2HZ   LYS   2          2HZ       LYS   2  15.674  11.861   3.731
   16   3HZ   LYS   2          3HZ       LYS   2  16.224  10.337   4.102
   17    H    SER   3           H        SER   3  16.225   4.710   3.324
   18    HA   SER   3           HA       SER   3  17.569   5.579   0.815
   19   1HB   SER   3          1HB       SER   3  18.524   4.329   2.870
   20   2HB   SER   3          2HB       SER   3  17.833   2.858   2.229
   21    HG   SER   3           HG       SER   3  19.123   2.951   0.462
   22    H    GLU   4           H        GLU   4  17.157   5.032  -1.296
   23    HA   GLU   4           HA       GLU   4  14.299   4.405  -1.811
   24   1HB   GLU   4          1HB       GLU   4  16.551   5.332  -3.527
   25   2HB   GLU   4          2HB       GLU   4  15.313   4.362  -4.287
   26   1HG   GLU   4          1HG       GLU   4  13.649   6.077  -4.091
   27   2HG   GLU   4          2HG       GLU   4  14.390   6.805  -2.671
   28    H    GLU   5           H        GLU   5  17.226   2.507  -1.983
   29    HA   GLU   5           HA       GLU   5  16.126   0.558  -3.877
   30   1HB   GLU   5          1HB       GLU   5  18.356   1.000  -4.204
   31   2HB   GLU   5          2HB       GLU   5  18.779   0.955  -2.520
   32   1HG   GLU   5          1HG       GLU   5  19.084  -1.427  -2.505
   33   2HG   GLU   5          2HG       GLU   5  17.976  -1.704  -3.837
   34    H    GLU   6           H        GLU   6  16.720   0.269  -0.386
   35    HA   GLU   6           HA       GLU   6  15.777  -2.518  -0.147
   36   1HB   GLU   6          1HB       GLU   6  15.491  -1.019   2.344
   37   2HB   GLU   6          2HB       GLU   6  16.450  -2.420   1.978
   38   1HG   GLU   6          1HG       GLU   6  18.293  -0.885   1.030
   39   2HG   GLU   6          2HG       GLU   6  17.326   0.514   1.460
   40    H    LEU   7           H        LEU   7  14.051   0.561   0.132
   41    HA   LEU   7           HA       LEU   7  11.306  -0.622   0.422
   42   1HB   LEU   7          1HB       LEU   7  12.251   2.100  -0.634
   43   2HB   LEU   7          2HB       LEU   7  10.568   1.660  -0.478
   44    HG   LEU   7           HG       LEU   7  12.536   2.460   1.650
   45   1HD1  LEU   7          1HD1      LEU   7  10.717   3.975   0.884
   46   2HD1  LEU   7          2HD1      LEU   7   9.473   2.782   1.342
   47   3HD1  LEU   7          3HD1      LEU   7  10.488   3.554   2.588
   48   1HD2  LEU   7          1HD2      LEU   7  10.301   0.387   2.266
   49   2HD2  LEU   7          2HD2      LEU   7  12.057   0.164   2.494
   50   3HD2  LEU   7          3HD2      LEU   7  11.188   1.334   3.489
   51    H    ALA   8           H        ALA   8  13.444   0.007  -2.359
   52    HA   ALA   8           HA       ALA   8  11.639  -0.960  -4.416
   53   1HB   ALA   8          1HB       ALA   8  14.728  -1.032  -4.236
   54   2HB   ALA   8          2HB       ALA   8  13.785  -1.271  -5.721
   55   3HB   ALA   8          3HB       ALA   8  13.724   0.286  -4.885
   56    H    ASN   9           H        ASN   9  14.231  -2.935  -2.853
   57    HA   ASN   9           HA       ASN   9  13.322  -5.571  -3.559
   58   1HB   ASN   9          1HB       ASN   9  14.603  -4.663  -0.886
   59   2HB   ASN   9          2HB       ASN   9  14.470  -6.322  -1.400
   60   1HD2  ASN   9          1HD2      ASN   9  17.081  -5.843  -3.924
   61   2HD2  ASN   9          2HD2      ASN   9  15.464  -6.658  -3.741
   62    H    ALA  10           H        ALA  10  12.039  -3.511  -0.983
   63    HA   ALA  10           HA       ALA  10  10.235  -5.568   0.249
   64   1HB   ALA  10          1HB       ALA  10  11.271  -3.688   1.537
   65   2HB   ALA  10          2HB       ALA  10  10.352  -2.491   0.588
   66   3HB   ALA  10          3HB       ALA  10   9.501  -3.633   1.650
   67    H    PHE  11           H        PHE  11   9.538  -2.630  -1.723
   68    HA   PHE  11           HA       PHE  11   6.761  -3.208  -2.312
   69   1HB   PHE  11          1HB       PHE  11   7.850  -0.998  -2.619
   70   2HB   PHE  11          2HB       PHE  11   8.831  -1.609  -3.908
   71    HD1  PHE  11           HD1      PHE  11   7.195  -2.870  -5.909
   72    HD2  PHE  11           HD2      PHE  11   6.079   0.391  -3.333
   73    HE1  PHE  11           HE1      PHE  11   5.606  -2.056  -7.607
   74    HE2  PHE  11           HE2      PHE  11   4.548   1.225  -5.069
   75    HZ   PHE  11           HZ       PHE  11   4.284  -0.006  -7.187
   76    H    ARG  12           H        ARG  12   9.626  -4.166  -4.246
   77    HA   ARG  12           HA       ARG  12   8.279  -5.803  -6.178
   78   1HB   ARG  12          1HB       ARG  12  10.750  -5.158  -6.118
   79   2HB   ARG  12          2HB       ARG  12  11.028  -6.440  -4.945
   80   1HG   ARG  12          1HG       ARG  12  11.546  -6.991  -7.431
   81   2HG   ARG  12          2HG       ARG  12  10.586  -8.193  -6.558
   82   1HD   ARG  12          1HD       ARG  12   9.681  -7.720  -8.879
   83   2HD   ARG  12          2HD       ARG  12   8.481  -7.406  -7.595
   84    HE   ARG  12           HE       ARG  12   9.113  -4.902  -7.756
   85   1HH1  ARG  12          2HH1      ARG  12   9.947  -6.920 -10.446
   86   2HH1  ARG  12          1HH1      ARG  12  10.064  -5.494 -11.585
   87   1HH2  ARG  12          1HH2      ARG  12   9.257  -3.321  -9.040
   88   2HH2  ARG  12          2HH2      ARG  12   9.691  -3.541 -10.798
   89    H    ILE  13           H        ILE  13   9.254  -6.773  -2.877
   90    HA   ILE  13           HA       ILE  13   8.827  -9.685  -3.376
   91    HB   ILE  13           HB       ILE  13   9.645  -8.080  -0.912
   92   1HG1  ILE  13          1HG1      ILE  13  11.331  -8.792  -2.867
   93   2HG1  ILE  13          2HG1      ILE  13  11.818  -8.865  -1.196
   94   1HG2  ILE  13          1HG2      ILE  13   8.237  -9.977  -0.019
   95   2HG2  ILE  13          2HG2      ILE  13   9.185 -11.155  -0.958
   96   3HG2  ILE  13          3HG2      ILE  13   9.923 -10.254   0.380
   97   1HD1  ILE  13          1HD1      ILE  13  11.368 -11.338  -1.066
   98   2HD1  ILE  13          2HD1      ILE  13  10.924 -11.341  -2.791
   99   3HD1  ILE  13          3HD1      ILE  13  12.576 -10.916  -2.302
  100    H    PHE  14           H        PHE  14   6.992  -7.104  -1.854
  101    HA   PHE  14           HA       PHE  14   4.633  -8.666  -0.902
  102   1HB   PHE  14          1HB       PHE  14   4.817  -5.757  -1.936
  103   2HB   PHE  14          2HB       PHE  14   3.410  -6.449  -1.200
  104    HD1  PHE  14           HD1      PHE  14   5.401  -8.079   0.883
  105    HD2  PHE  14           HD2      PHE  14   4.683  -3.967  -0.129
  106    HE1  PHE  14           HE1      PHE  14   6.130  -7.393   3.134
  107    HE2  PHE  14           HE2      PHE  14   5.434  -3.285   2.115
  108    HZ   PHE  14           HZ       PHE  14   6.193  -4.987   3.738
  109    H    ASP  15           H        ASP  15   5.169  -6.813  -3.934
  110    HA   ASP  15           HA       ASP  15   2.772  -7.679  -5.269
  111   1HB   ASP  15          1HB       ASP  15   4.027  -5.624  -5.835
  112   2HB   ASP  15          2HB       ASP  15   5.399  -6.548  -6.425
  113    H    LYS  16           H        LYS  16   2.179  -9.712  -5.879
  114    HA   LYS  16           HA       LYS  16   4.328 -11.839  -5.765
  115   1HB   LYS  16          1HB       LYS  16   2.665 -13.462  -5.300
  116   2HB   LYS  16          2HB       LYS  16   2.215 -12.072  -4.352
  117   1HG   LYS  16          1HG       LYS  16   0.858 -12.205  -7.055
  118   2HG   LYS  16          2HG       LYS  16   0.579 -13.631  -6.063
  119   1HD   LYS  16          1HD       LYS  16   0.235 -11.111  -4.495
  120   2HD   LYS  16          2HD       LYS  16  -0.782 -11.151  -5.933
  121   1HE   LYS  16          1HE       LYS  16  -2.323 -12.433  -4.936
  122   2HE   LYS  16          2HE       LYS  16  -1.155 -13.756  -4.743
  123   1HZ   LYS  16          1HZ       LYS  16  -1.028 -11.390  -2.854
  124   2HZ   LYS  16          2HZ       LYS  16  -2.154 -12.538  -2.601
  125   3HZ   LYS  16          3HZ       LYS  16  -0.562 -12.942  -2.530
  126    H    ASN  17           H        ASN  17   2.290 -10.194  -8.073
  127    HA   ASN  17           HA       ASN  17   3.155 -12.008 -10.300
  128   1HB   ASN  17          1HB       ASN  17   0.845 -10.732  -9.934
  129   2HB   ASN  17          2HB       ASN  17   1.633  -9.396 -10.729
  130   1HD2  ASN  17          1HD2      ASN  17   0.935 -12.585 -13.152
  131   2HD2  ASN  17          2HD2      ASN  17   1.929 -12.841 -11.680
  132    H    ALA  18           H        ALA  18   3.821  -8.601  -9.404
  133    HA   ALA  18           HA       ALA  18   5.915  -7.372  -9.639
  134   1HB   ALA  18          1HB       ALA  18   7.050  -9.615  -9.410
  135   2HB   ALA  18          2HB       ALA  18   6.835  -9.896 -11.152
  136   3HB   ALA  18          3HB       ALA  18   7.884  -8.578 -10.601
  137    H    ASP  19           H        ASP  19   3.709  -6.922 -11.383
  138    HA   ASP  19           HA       ASP  19   5.048  -5.912 -13.915
  139   1HB   ASP  19          1HB       ASP  19   2.173  -5.947 -12.866
  140   2HB   ASP  19          2HB       ASP  19   2.602  -4.835 -14.158
  141    H    GLY  20           H        GLY  20   5.714  -5.017 -11.054
  142   1HA   GLY  20          1HA       GLY  20   6.672  -2.972 -10.155
  143   2HA   GLY  20          2HA       GLY  20   6.142  -2.143 -11.623
  144    H    TYR  21           H        TYR  21   3.522  -3.653 -10.074
  145    HA   TYR  21           HA       TYR  21   2.537  -0.947  -8.967
  146   1HB   TYR  21          1HB       TYR  21   0.782  -3.136 -10.252
  147   2HB   TYR  21          2HB       TYR  21   0.226  -1.623  -9.599
  148    HD1  TYR  21           HD1      TYR  21   2.241  -3.103 -12.388
  149    HD2  TYR  21           HD2      TYR  21   0.367   0.473 -10.903
  150    HE1  TYR  21           HE1      TYR  21   2.404  -2.078 -14.624
  151    HE2  TYR  21           HE2      TYR  21   0.517   1.465 -13.165
  152    HH   TYR  21           HH       TYR  21   2.440   0.731 -15.331
  153    H    ILE  22           H        ILE  22   1.305  -0.969  -7.064
  154    HA   ILE  22           HA       ILE  22   0.852  -3.631  -5.615
  155    HB   ILE  22           HB       ILE  22   0.529  -0.785  -4.519
  156   1HG1  ILE  22          1HG1      ILE  22   2.962  -2.375  -4.761
  157   2HG1  ILE  22          2HG1      ILE  22   2.759  -0.779  -4.092
  158   1HG2  ILE  22          1HG2      ILE  22  -1.027  -2.411  -3.351
  159   2HG2  ILE  22          2HG2      ILE  22   0.336  -3.489  -2.995
  160   3HG2  ILE  22          3HG2      ILE  22   0.229  -1.874  -2.248
  161   1HD1  ILE  22          1HD1      ILE  22   2.125  -1.753  -1.824
  162   2HD1  ILE  22          2HD1      ILE  22   2.530  -3.370  -2.455
  163   3HD1  ILE  22          3HD1      ILE  22   3.785  -2.117  -2.357
  164    H    ASP  23           H        ASP  23  -1.234  -4.109  -4.747
  165    HA   ASP  23           HA       ASP  23  -3.560  -3.029  -6.419
  166   1HB   ASP  23          1HB       ASP  23  -4.397  -5.469  -6.564
  167   2HB   ASP  23          2HB       ASP  23  -2.988  -5.069  -7.536
  168    H    ILE  24           H        ILE  24  -5.712  -3.652  -5.536
  169    HA   ILE  24           HA       ILE  24  -5.934  -2.711  -2.680
  170    HB   ILE  24           HB       ILE  24  -7.598  -2.402  -4.866
  171   1HG1  ILE  24          1HG1      ILE  24  -8.058  -0.745  -3.315
  172   2HG1  ILE  24          2HG1      ILE  24  -9.433  -1.762  -2.979
  173   1HG2  ILE  24          1HG2      ILE  24  -8.520  -4.763  -4.723
  174   2HG2  ILE  24          2HG2      ILE  24  -9.027  -4.476  -3.047
  175   3HG2  ILE  24          3HG2      ILE  24  -9.785  -3.591  -4.395
  176   1HD1  ILE  24          1HD1      ILE  24  -8.203  -2.875  -1.047
  177   2HD1  ILE  24          2HD1      ILE  24  -6.889  -1.692  -1.258
  178   3HD1  ILE  24          3HD1      ILE  24  -8.519  -1.134  -0.825
  179    H    GLU  25           H        GLU  25  -5.869  -5.755  -4.357
  180    HA   GLU  25           HA       GLU  25  -6.904  -7.401  -2.072
  181   1HB   GLU  25          1HB       GLU  25  -5.601  -8.165  -4.714
  182   2HB   GLU  25          2HB       GLU  25  -5.958  -9.352  -3.496
  183   1HG   GLU  25          1HG       GLU  25  -8.378  -9.080  -3.762
  184   2HG   GLU  25          2HG       GLU  25  -8.216  -7.543  -4.592
  185    H    GLU  26           H        GLU  26  -3.774  -6.220  -3.062
  186    HA   GLU  26           HA       GLU  26  -2.132  -8.144  -1.441
  187   1HB   GLU  26          1HB       GLU  26  -0.307  -7.340  -2.458
  188   2HB   GLU  26          2HB       GLU  26  -1.471  -6.845  -3.650
  189   1HG   GLU  26          1HG       GLU  26   0.022  -4.959  -3.405
  190   2HG   GLU  26          2HG       GLU  26  -1.426  -4.453  -2.553
  191    H    LEU  27           H        LEU  27  -3.055  -4.731  -1.109
  192    HA   LEU  27           HA       LEU  27  -1.801  -3.925   1.406
  193   1HB   LEU  27          1HB       LEU  27  -3.068  -2.425  -0.122
  194   2HB   LEU  27          2HB       LEU  27  -4.566  -3.232   0.261
  195    HG   LEU  27           HG       LEU  27  -3.873  -2.480   2.821
  196   1HD1  LEU  27          1HD1      LEU  27  -1.738  -1.404   2.100
  197   2HD1  LEU  27          2HD1      LEU  27  -2.624  -0.280   1.031
  198   3HD1  LEU  27          3HD1      LEU  27  -2.844  -0.227   2.804
  199   1HD2  LEU  27          1HD2      LEU  27  -5.245  -0.590   0.766
  200   2HD2  LEU  27          2HD2      LEU  27  -6.049  -1.880   1.709
  201   3HD2  LEU  27          3HD2      LEU  27  -5.359  -0.485   2.545
  202    H    GLY  28           H        GLY  28  -5.247  -4.731   1.393
  203   1HA   GLY  28          1HA       GLY  28  -5.638  -5.150   4.116
  204   2HA   GLY  28          2HA       GLY  28  -6.614  -6.041   2.941
  205    H    GLU  29           H        GLU  29  -4.468  -7.714   1.959
  206    HA   GLU  29           HA       GLU  29  -4.466  -9.966   3.897
  207   1HB   GLU  29          1HB       GLU  29  -4.414 -10.209   1.402
  208   2HB   GLU  29          2HB       GLU  29  -2.780  -9.618   1.369
  209   1HG   GLU  29          1HG       GLU  29  -1.927 -11.639   2.542
  210   2HG   GLU  29          2HG       GLU  29  -3.548 -12.182   2.936
  211    H    ILE  30           H        ILE  30  -1.849  -7.769   2.853
  212    HA   ILE  30           HA       ILE  30   0.255  -8.722   4.724
  213    HB   ILE  30           HB       ILE  30  -0.109  -6.051   3.278
  214   1HG1  ILE  30          1HG1      ILE  30   1.560  -8.540   2.710
  215   2HG1  ILE  30          2HG1      ILE  30   0.631  -7.556   1.612
  216   1HG2  ILE  30          1HG2      ILE  30   1.142  -5.581   5.415
  217   2HG2  ILE  30          2HG2      ILE  30   2.313  -6.870   5.036
  218   3HG2  ILE  30          3HG2      ILE  30   2.209  -5.401   4.026
  219   1HD1  ILE  30          1HD1      ILE  30   3.354  -6.626   2.744
  220   2HD1  ILE  30          2HD1      ILE  30   3.021  -7.272   1.123
  221   3HD1  ILE  30          3HD1      ILE  30   2.308  -5.723   1.617
  222    H    LEU  31           H        LEU  31  -1.984  -5.937   4.922
  223    HA   LEU  31           HA       LEU  31  -1.090  -5.027   7.578
  224   1HB   LEU  31          1HB       LEU  31  -2.941  -3.482   7.574
  225   2HB   LEU  31          2HB       LEU  31  -2.216  -3.505   5.986
  226    HG   LEU  31           HG       LEU  31  -4.207  -5.284   5.458
  227   1HD1  LEU  31          1HD1      LEU  31  -5.333  -3.586   7.787
  228   2HD1  LEU  31          2HD1      LEU  31  -6.305  -4.581   6.669
  229   3HD1  LEU  31          3HD1      LEU  31  -5.126  -5.359   7.730
  230   1HD2  LEU  31          1HD2      LEU  31  -4.570  -2.203   5.560
  231   2HD2  LEU  31          2HD2      LEU  31  -3.960  -3.162   4.184
  232   3HD2  LEU  31          3HD2      LEU  31  -5.645  -3.327   4.687
  233    H    ARG  32           H        ARG  32  -3.645  -7.270   6.664
  234    HA   ARG  32           HA       ARG  32  -4.357  -7.728   9.622
  235   1HB   ARG  32          1HB       ARG  32  -5.825  -6.949   7.159
  236   2HB   ARG  32          2HB       ARG  32  -6.616  -8.296   7.975
  237   1HG   ARG  32          1HG       ARG  32  -5.747  -5.740   9.488
  238   2HG   ARG  32          2HG       ARG  32  -7.261  -5.801   8.566
  239   1HD   ARG  32          1HD       ARG  32  -8.240  -6.665  10.473
  240   2HD   ARG  32          2HD       ARG  32  -7.431  -8.193  10.056
  241    HE   ARG  32           HE       ARG  32  -5.376  -6.796  11.404
  242   1HH1  ARG  32          2HH1      ARG  32  -8.663  -7.424  12.337
  243   2HH1  ARG  32          1HH1      ARG  32  -8.245  -7.376  14.116
  244   1HH2  ARG  32          1HH2      ARG  32  -4.950  -6.715  13.415
  245   2HH2  ARG  32          2HH2      ARG  32  -6.245  -6.969  14.674
  246    H    ALA  33           H        ALA  33  -2.440  -9.305   7.764
  247    HA   ALA  33           HA       ALA  33  -3.568 -12.050   8.437
  248   1HB   ALA  33          1HB       ALA  33  -2.705 -11.630   6.140
  249   2HB   ALA  33          2HB       ALA  33  -1.100 -11.192   6.786
  250   3HB   ALA  33          3HB       ALA  33  -1.714 -12.851   6.956
  251    H    THR  34           H        THR  34  -2.852 -13.337  10.011
  252    HA   THR  34           HA       THR  34  -0.042 -13.259  11.122
  253    HB   THR  34           HB       THR  34  -1.480 -11.431  12.308
  254    HG1  THR  34           HG1      THR  34   0.454 -12.420  13.177
  255   1HG2  THR  34          2HG2      THR  34  -3.540 -12.951  12.634
  256   2HG2  THR  34          3HG2      THR  34  -2.594 -13.913  13.798
  257   3HG2  THR  34          1HG2      THR  34  -2.963 -12.216  14.152
  258    H    GLY  35           H        GLY  35  -1.308 -15.268   9.681
  259   1HA   GLY  35          1HA       GLY  35  -2.642 -17.334  11.492
  260   2HA   GLY  35          2HA       GLY  35  -2.424 -17.491   9.745
  261   1HN   NH2  36          1HN       NH2  36  -0.217 -18.038   8.873
  262   2HN   NH2  36          2HN       NH2  36   0.830 -19.071   9.882
  263   1H    ACE  37          1HH3      ACE  37  -9.932 -10.773  10.383
  264   2H    ACE  37          2HH3      ACE  37  -8.294 -10.277   9.835
  265   3H    ACE  37          3HH3      ACE  37  -9.000  -9.567  11.310
  266    H    VAL  38           H        VAL  38  -9.687  -9.894   7.821
  267    HA   VAL  38           HA       VAL  38  -9.570  -6.940   7.524
  268    HB   VAL  38           HB       VAL  38  -8.473  -8.036   5.791
  269   1HG1  VAL  38          1HG1      VAL  38 -10.920  -9.904   5.377
  270   2HG1  VAL  38          2HG1      VAL  38  -9.494  -9.877   4.315
  271   3HG1  VAL  38          3HG1      VAL  38  -9.328 -10.369   6.003
  272   1HG2  VAL  38          1HG2      VAL  38  -9.937  -6.225   4.794
  273   2HG2  VAL  38          2HG2      VAL  38  -9.710  -7.557   3.639
  274   3HG2  VAL  38          3HG2      VAL  38 -11.238  -7.409   4.541
  275    H    THR  39           H        THR  39 -11.168  -5.575   6.661
  276    HA   THR  39           HA       THR  39 -14.010  -6.569   6.388
  277    HB   THR  39           HB       THR  39 -14.800  -4.328   7.581
  278    HG1  THR  39           HG1      THR  39 -12.320  -4.920   8.834
  279   1HG2  THR  39          2HG2      THR  39 -13.849  -6.816   9.168
  280   2HG2  THR  39          3HG2      THR  39 -15.038  -5.621   9.742
  281   3HG2  THR  39          1HG2      THR  39 -15.413  -6.642   8.338
  282    H    GLU  40           H        GLU  40 -15.072  -5.540   4.691
  283    HA   GLU  40           HA       GLU  40 -13.143  -4.546   2.634
  284   1HB   GLU  40          1HB       GLU  40 -14.517  -5.383   1.114
  285   2HB   GLU  40          2HB       GLU  40 -15.260  -6.204   2.452
  286   1HG   GLU  40          1HG       GLU  40 -17.179  -4.643   2.481
  287   2HG   GLU  40          2HG       GLU  40 -16.371  -3.499   1.426
  288    H    GLU  41           H        GLU  41 -16.010  -3.088   4.197
  289    HA   GLU  41           HA       GLU  41 -15.843  -0.514   2.957
  290   1HB   GLU  41          1HB       GLU  41 -17.705  -1.604   4.403
  291   2HB   GLU  41          2HB       GLU  41 -16.927  -0.887   5.781
  292   1HG   GLU  41          1HG       GLU  41 -18.605   0.721   5.276
  293   2HG   GLU  41          2HG       GLU  41 -17.219   1.447   4.484
  294    H    ASP  42           H        ASP  42 -14.143  -1.538   5.878
  295    HA   ASP  42           HA       ASP  42 -12.713   0.920   6.619
  296   1HB   ASP  42          1HB       ASP  42 -12.099  -2.077   6.849
  297   2HB   ASP  42          2HB       ASP  42 -10.899  -0.888   7.335
  298    H    ILE  43           H        ILE  43 -11.686  -1.623   4.267
  299    HA   ILE  43           HA       ILE  43  -9.083  -0.209   3.727
  300    HB   ILE  43           HB       ILE  43 -10.333  -2.755   2.604
  301   1HG1  ILE  43          1HG1      ILE  43  -8.195  -3.844   3.466
  302   2HG1  ILE  43          2HG1      ILE  43  -7.672  -2.311   4.108
  303   1HG2  ILE  43          1HG2      ILE  43  -9.171  -1.674   0.640
  304   2HG2  ILE  43          2HG2      ILE  43  -7.689  -1.470   1.594
  305   3HG2  ILE  43          3HG2      ILE  43  -8.272  -3.094   1.151
  306   1HD1  ILE  43          1HD1      ILE  43  -9.656  -2.201   5.675
  307   2HD1  ILE  43          2HD1      ILE  43 -10.135  -3.837   5.151
  308   3HD1  ILE  43          3HD1      ILE  43  -8.576  -3.583   5.966
  309    H    GLU  44           H        GLU  44 -12.237  -0.477   2.174
  310    HA   GLU  44           HA       GLU  44 -11.407   0.818  -0.400
  311   1HB   GLU  44          1HB       GLU  44 -13.865  -0.480   0.647
  312   2HB   GLU  44          2HB       GLU  44 -14.193   0.862  -0.406
  313   1HG   GLU  44          1HG       GLU  44 -12.164  -1.122  -1.499
  314   2HG   GLU  44          2HG       GLU  44 -13.781  -1.763  -1.272
  315    H    ASP  45           H        ASP  45 -12.791   1.924   2.610
  316    HA   ASP  45           HA       ASP  45 -13.531   4.694   1.714
  317   1HB   ASP  45          1HB       ASP  45 -13.346   3.252   4.410
  318   2HB   ASP  45          2HB       ASP  45 -13.489   5.004   4.373
  319    H    LEU  46           H        LEU  46 -10.781   3.330   3.550
  320    HA   LEU  46           HA       LEU  46  -8.996   5.711   3.403
  321   1HB   LEU  46          1HB       LEU  46  -8.726   3.781   4.969
  322   2HB   LEU  46          2HB       LEU  46  -8.318   2.718   3.643
  323    HG   LEU  46           HG       LEU  46  -6.587   5.199   4.215
  324   1HD1  LEU  46          1HD1      LEU  46  -7.048   3.310   6.183
  325   2HD1  LEU  46          2HD1      LEU  46  -5.661   2.582   5.359
  326   3HD1  LEU  46          3HD1      LEU  46  -5.526   4.234   6.031
  327   1HD2  LEU  46          1HD2      LEU  46  -6.166   2.552   2.722
  328   2HD2  LEU  46          2HD2      LEU  46  -5.863   4.213   2.132
  329   3HD2  LEU  46          3HD2      LEU  46  -4.785   3.459   3.344
  330    H    MET  47           H        MET  47  -8.928   2.803   1.270
  331    HA   MET  47           HA       MET  47  -7.473   4.191  -0.871
  332   1HB   MET  47          1HB       MET  47  -7.685   1.644  -0.469
  333   2HB   MET  47          2HB       MET  47  -9.269   1.728  -1.222
  334   1HG   MET  47          1HG       MET  47  -8.178   1.315  -3.205
  335   2HG   MET  47          2HG       MET  47  -7.743   3.034  -3.171
  336   1HE   MET  47          1HE       MET  47  -6.339   0.438  -4.521
  337   2HE   MET  47          2HE       MET  47  -5.749   2.097  -4.830
  338   3HE   MET  47          3HE       MET  47  -4.596   0.830  -4.319
  339    H    LYS  48           H        LYS  48 -10.673   4.817   0.082
  340    HA   LYS  48           HA       LYS  48 -11.151   6.274  -2.537
  341   1HB   LYS  48          1HB       LYS  48 -13.126   5.403  -1.698
  342   2HB   LYS  48          2HB       LYS  48 -12.756   5.672  -0.022
  343   1HG   LYS  48          1HG       LYS  48 -12.983   8.343  -0.972
  344   2HG   LYS  48          2HG       LYS  48 -14.015   7.515  -2.094
  345   1HD   LYS  48          1HD       LYS  48 -15.158   6.389   0.021
  346   2HD   LYS  48          2HD       LYS  48 -14.447   7.657   0.963
  347   1HE   LYS  48          1HE       LYS  48 -16.379   8.876   0.437
  348   2HE   LYS  48          2HE       LYS  48 -15.660   9.129  -1.144
  349   1HZ   LYS  48          1HZ       LYS  48 -17.096   6.542  -0.758
  350   2HZ   LYS  48          2HZ       LYS  48 -18.037   7.807  -0.904
  351   3HZ   LYS  48          3HZ       LYS  48 -16.993   7.419  -2.131
  352    H    ASP  49           H        ASP  49  -9.889   6.885   0.688
  353    HA   ASP  49           HA       ASP  49 -10.396   9.865   0.658
  354   1HB   ASP  49          1HB       ASP  49 -10.526   8.559   2.796
  355   2HB   ASP  49          2HB       ASP  49  -8.824   8.134   2.675
  356    H    SER  50           H        SER  50  -7.484   7.794   0.405
  357    HA   SER  50           HA       SER  50  -5.893  10.119  -0.686
  358   1HB   SER  50          1HB       SER  50  -4.910   7.243  -0.145
  359   2HB   SER  50          2HB       SER  50  -3.917   8.687  -0.313
  360    HG   SER  50           HG       SER  50  -5.751   8.016   1.761
  361    H    ASP  51           H        ASP  51  -7.600   7.432  -2.014
  362    HA   ASP  51           HA       ASP  51  -6.086   7.204  -4.535
  363   1HB   ASP  51          1HB       ASP  51  -7.514   5.400  -3.392
  364   2HB   ASP  51          2HB       ASP  51  -8.957   6.237  -3.947
  365    H    LYS  52           H        LYS  52  -6.678   9.982  -4.215
  366    HA   LYS  52           HA       LYS  52  -9.408  10.756  -5.206
  367   1HB   LYS  52          1HB       LYS  52  -7.223  11.931  -3.767
  368   2HB   LYS  52          2HB       LYS  52  -7.385  12.930  -5.178
  369   1HG   LYS  52          1HG       LYS  52  -8.919  14.059  -3.773
  370   2HG   LYS  52          2HG       LYS  52 -10.027  12.920  -4.470
  371   1HD   LYS  52          1HD       LYS  52  -9.783  11.333  -2.562
  372   2HD   LYS  52          2HD       LYS  52  -8.632  12.347  -1.756
  373   1HE   LYS  52          1HE       LYS  52 -10.526  13.144  -0.608
  374   2HE   LYS  52          2HE       LYS  52 -10.737  14.177  -2.021
  375   1HZ   LYS  52          1HZ       LYS  52 -11.983  12.000  -2.993
  376   2HZ   LYS  52          2HZ       LYS  52 -12.201  11.573  -1.483
  377   3HZ   LYS  52          3HZ       LYS  52 -12.828  13.007  -2.026
  378    H    ASN  53           H        ASN  53  -6.099  10.802  -6.538
  379    HA   ASN  53           HA       ASN  53  -6.780  11.991  -9.097
  380   1HB   ASN  53          1HB       ASN  53  -4.419  11.392  -9.749
  381   2HB   ASN  53          2HB       ASN  53  -4.503  12.113  -8.166
  382   1HD2  ASN  53          1HD2      ASN  53  -2.227   9.295  -7.720
  383   2HD2  ASN  53          2HD2      ASN  53  -2.270  10.968  -8.436
  384    H    ASN  54           H        ASN  54  -7.856   9.045  -8.223
  385    HA   ASN  54           HA       ASN  54  -8.821   7.195  -9.412
  386   1HB   ASN  54          1HB       ASN  54  -8.477   9.272 -11.665
  387   2HB   ASN  54          2HB       ASN  54  -9.058   7.672 -12.036
  388   1HD2  ASN  54          1HD2      ASN  54 -12.300   8.346 -10.693
  389   2HD2  ASN  54          2HD2      ASN  54 -11.141   7.036 -11.198
  390    H    ASP  55           H        ASP  55  -5.889   7.246  -8.946
  391    HA   ASP  55           HA       ASP  55  -5.190   4.971 -10.846
  392   1HB   ASP  55          1HB       ASP  55  -3.688   6.623  -8.808
  393   2HB   ASP  55          2HB       ASP  55  -3.174   4.947  -8.943
  394    H    GLY  56           H        GLY  56  -7.234   3.910 -10.173
  395   1HA   GLY  56          1HA       GLY  56  -7.924   2.669  -7.615
  396   2HA   GLY  56          2HA       GLY  56  -8.280   1.967  -9.198
  397    H    ARG  57           H        ARG  57  -5.434   1.594 -10.002
  398    HA   ARG  57           HA       ARG  57  -4.228   0.018  -7.661
  399   1HB   ARG  57          1HB       ARG  57  -2.791  -0.874  -9.809
  400   2HB   ARG  57          2HB       ARG  57  -4.270  -1.632  -9.221
  401   1HG   ARG  57          1HG       ARG  57  -4.458   0.623 -11.311
  402   2HG   ARG  57          2HG       ARG  57  -3.947  -0.980 -11.834
  403   1HD   ARG  57          1HD       ARG  57  -6.651  -0.167 -10.583
  404   2HD   ARG  57          2HD       ARG  57  -6.346  -0.887 -12.162
  405    HE   ARG  57           HE       ARG  57  -6.323  -2.444  -9.571
  406   1HH1  ARG  57          2HH1      ARG  57  -5.455  -2.543 -12.925
  407   2HH1  ARG  57          1HH1      ARG  57  -5.476  -4.383 -12.926
  408   1HH2  ARG  57          1HH2      ARG  57  -6.337  -4.432  -9.612
  409   2HH2  ARG  57          2HH2      ARG  57  -5.964  -5.404 -11.119
  410    H    ILE  58           H        ILE  58  -1.963   0.081  -7.307
  411    HA   ILE  58           HA       ILE  58  -1.192   3.021  -7.301
  412    HB   ILE  58           HB       ILE  58  -0.785   0.803  -5.237
  413   1HG1  ILE  58          1HG1      ILE  58  -2.402   3.440  -5.125
  414   2HG1  ILE  58          2HG1      ILE  58  -3.071   1.837  -5.252
  415   1HG2  ILE  58          1HG2      ILE  58   1.282   2.267  -5.192
  416   2HG2  ILE  58          2HG2      ILE  58   0.274   3.717  -5.018
  417   3HG2  ILE  58          3HG2      ILE  58   0.334   2.494  -3.727
  418   1HD1  ILE  58          1HD1      ILE  58  -2.150   1.186  -2.982
  419   2HD1  ILE  58          2HD1      ILE  58  -1.573   2.859  -2.766
  420   3HD1  ILE  58          3HD1      ILE  58  -3.312   2.535  -2.935
  421    H    ASP  59           H        ASP  59   0.903   3.744  -7.471
  422    HA   ASP  59           HA       ASP  59   3.069   1.771  -8.380
  423   1HB   ASP  59          1HB       ASP  59   3.989   3.579  -9.849
  424   2HB   ASP  59          2HB       ASP  59   2.347   3.132 -10.291
  425    H    PHE  60           H        PHE  60   5.323   3.171  -8.242
  426    HA   PHE  60           HA       PHE  60   5.936   2.608  -5.411
  427   1HB   PHE  60          1HB       PHE  60   7.416   2.251  -7.540
  428   2HB   PHE  60          2HB       PHE  60   7.828   3.930  -7.440
  429    HD1  PHE  60           HD1      PHE  60   8.481   4.629  -4.768
  430    HD2  PHE  60           HD2      PHE  60   9.189   0.864  -6.711
  431    HE1  PHE  60           HE1      PHE  60  10.375   4.211  -3.266
  432    HE2  PHE  60           HE2      PHE  60  11.085   0.445  -5.187
  433    HZ   PHE  60           HZ       PHE  60  11.657   2.099  -3.436
  434    H    ASP  61           H        ASP  61   5.427   5.612  -7.122
  435    HA   ASP  61           HA       ASP  61   6.308   7.648  -5.167
  436   1HB   ASP  61          1HB       ASP  61   5.561   8.611  -7.201
  437   2HB   ASP  61          2HB       ASP  61   4.299   7.421  -7.454
  438    H    GLU  62           H        GLU  62   2.981   6.954  -5.811
  439    HA   GLU  62           HA       GLU  62   1.495   7.333  -3.416
  440   1HB   GLU  62          1HB       GLU  62   1.072   4.876  -5.166
  441   2HB   GLU  62          2HB       GLU  62  -0.105   5.671  -4.166
  442   1HG   GLU  62          1HG       GLU  62   1.094   7.439  -6.329
  443   2HG   GLU  62          2HG       GLU  62   0.160   6.077  -6.918
  444    H    PHE  63           H        PHE  63   3.832   4.717  -3.874
  445    HA   PHE  63           HA       PHE  63   3.037   3.066  -1.484
  446   1HB   PHE  63          1HB       PHE  63   4.433   2.281  -3.511
  447   2HB   PHE  63          2HB       PHE  63   5.766   3.202  -2.904
  448    HD1  PHE  63           HD1      PHE  63   3.717   0.166  -2.132
  449    HD2  PHE  63           HD2      PHE  63   7.041   2.573  -0.838
  450    HE1  PHE  63           HE1      PHE  63   4.613  -1.736  -0.878
  451    HE2  PHE  63           HE2      PHE  63   7.951   0.630   0.384
  452    HZ   PHE  63           HZ       PHE  63   6.786  -1.547   0.287
  453    H    LEU  64           H        LEU  64   5.813   5.261  -2.036
  454    HA   LEU  64           HA       LEU  64   6.638   5.770   0.652
  455   1HB   LEU  64          1HB       LEU  64   6.624   7.623  -1.781
  456   2HB   LEU  64          2HB       LEU  64   7.339   8.128  -0.269
  457    HG   LEU  64           HG       LEU  64   8.259   5.501  -1.544
  458   1HD1  LEU  64          1HD1      LEU  64   9.156   8.339  -2.405
  459   2HD1  LEU  64          2HD1      LEU  64  10.020   6.830  -2.809
  460   3HD1  LEU  64          3HD1      LEU  64   8.374   7.080  -3.400
  461   1HD2  LEU  64          1HD2      LEU  64   9.695   7.626   0.214
  462   2HD2  LEU  64          2HD2      LEU  64   9.208   5.979   0.706
  463   3HD2  LEU  64          3HD2      LEU  64  10.482   6.196  -0.500
  464    H    LYS  65           H        LYS  65   4.018   7.591  -1.016
  465    HA   LYS  65           HA       LYS  65   3.072   9.083   1.313
  466   1HB   LYS  65          1HB       LYS  65   1.972   9.950  -0.419
  467   2HB   LYS  65          2HB       LYS  65   2.491   8.652  -1.477
  468   1HG   LYS  65          1HG       LYS  65   0.284   8.018  -1.698
  469   2HG   LYS  65          2HG       LYS  65   0.183   7.698   0.044
  470   1HD   LYS  65          1HD       LYS  65  -1.481   9.418  -0.652
  471   2HD   LYS  65          2HD       LYS  65  -0.376  10.046   0.574
  472   1HE   LYS  65          1HE       LYS  65   0.565  11.623  -0.975
  473   2HE   LYS  65          2HE       LYS  65   0.299  10.556  -2.366
  474   1HZ   LYS  65          1HZ       LYS  65  -2.182  11.552  -0.957
  475   2HZ   LYS  65          2HZ       LYS  65  -1.380  12.609  -1.904
  476   3HZ   LYS  65          3HZ       LYS  65  -1.959  11.262  -2.565
  477    H    MET  66           H        MET  66   2.176   5.837   0.145
  478    HA   MET  66           HA       MET  66  -0.118   5.510   1.899
  479   1HB   MET  66          1HB       MET  66   0.190   4.390  -0.326
  480   2HB   MET  66          2HB       MET  66   1.475   3.398   0.329
  481   1HG   MET  66          1HG       MET  66  -1.160   3.173   1.807
  482   2HG   MET  66          2HG       MET  66  -1.102   2.487   0.172
  483   1HE   MET  66          1HE       MET  66   1.509   1.331  -0.507
  484   2HE   MET  66          2HE       MET  66   1.456  -0.296   0.233
  485   3HE   MET  66          3HE       MET  66  -0.015   0.389  -0.523
  486    H    MET  67           H        MET  67   3.122   3.911   2.247
  487    HA   MET  67           HA       MET  67   2.711   3.324   5.162
  488   1HB   MET  67          1HB       MET  67   5.100   3.335   3.261
  489   2HB   MET  67          2HB       MET  67   5.422   3.482   4.978
  490   1HG   MET  67          1HG       MET  67   4.178   1.333   5.452
  491   2HG   MET  67          2HG       MET  67   3.861   1.132   3.718
  492   1HE   MET  67          1HE       MET  67   4.655  -0.922   3.606
  493   2HE   MET  67          2HE       MET  67   6.343  -1.328   3.166
  494   3HE   MET  67          3HE       MET  67   5.803  -1.482   4.865
  495    H    GLU  68           H        GLU  68   4.919   5.688   3.615
  496    HA   GLU  68           HA       GLU  68   5.241   6.982   6.293
  497   1HB   GLU  68          1HB       GLU  68   7.027   7.983   4.170
  498   2HB   GLU  68          2HB       GLU  68   7.391   7.374   5.756
  499   1HG   GLU  68          1HG       GLU  68   6.679   4.996   4.334
  500   2HG   GLU  68          2HG       GLU  68   7.500   5.954   3.116
  501    H    GLY  69           H        GLY  69   2.933   7.676   4.430
  502   1HA   GLY  69          1HA       GLY  69   2.860  10.569   3.792
  503   2HA   GLY  69          2HA       GLY  69   1.461   9.582   4.231
  504    H    VAL  70           H        VAL  70   3.717  11.939   5.371
  505    HA   VAL  70           HA       VAL  70   2.808  11.603   8.291
  506    HB   VAL  70           HB       VAL  70   5.327  11.039   7.696
  507   1HG1  VAL  70          1HG1      VAL  70   5.487  14.131   7.920
  508   2HG1  VAL  70          2HG1      VAL  70   6.883  13.026   8.012
  509   3HG1  VAL  70          3HG1      VAL  70   5.962  13.152   6.511
  510   1HG2  VAL  70          1HG2      VAL  70   4.421  11.129  10.055
  511   2HG2  VAL  70          2HG2      VAL  70   6.053  11.775   9.981
  512   3HG2  VAL  70          3HG2      VAL  70   4.659  12.889  10.107
  513    H    GLN  71           H        GLN  71   1.659  13.127   6.034
  514    HA   GLN  71           HA       GLN  71   2.511  16.002   6.231
  515   1HB   GLN  71          1HB       GLN  71   1.865  14.881   4.075
  516   2HB   GLN  71          2HB       GLN  71   0.205  14.736   4.648
  517   1HG   GLN  71          1HG       GLN  71  -0.197  17.090   4.480
  518   2HG   GLN  71          2HG       GLN  71   1.489  17.538   4.659
  519   1HE2  GLN  71          1HE2      GLN  71   0.050  16.695   0.930
  520   2HE2  GLN  71          2HE2      GLN  71  -0.816  16.061   2.436
  521   1HN   NH2  72          1HN       NH2  72   2.090  16.688   8.414
  522   2HN   NH2  72          2HN       NH2  72   0.431  16.916   9.029
   
  No H/Q in entry =         522
  Start of MODEL   14
    1   1H    ACE   1          1HH3      ACE   1  16.958  11.563  -5.911
    2   2H    ACE   1          2HH3      ACE   1  18.234  10.716  -4.965
    3   3H    ACE   1          3HH3      ACE   1  18.189  10.591  -6.747
    4    H    LYS   2           H        LYS   2  15.614  10.117  -4.227
    5    HA   LYS   2           HA       LYS   2  15.057   7.947  -3.206
    6   1HB   LYS   2          1HB       LYS   2  14.138   7.360  -6.044
    7   2HB   LYS   2          2HB       LYS   2  13.310   6.971  -4.552
    8   1HG   LYS   2          1HG       LYS   2  13.499   9.680  -6.057
    9   2HG   LYS   2          2HG       LYS   2  12.063   8.787  -5.629
   10   1HD   LYS   2          1HD       LYS   2  12.983   9.303  -3.074
   11   2HD   LYS   2          2HD       LYS   2  13.758  10.655  -3.903
   12   1HE   LYS   2          1HE       LYS   2  11.705  11.648  -3.397
   13   2HE   LYS   2          2HE       LYS   2  11.327  11.061  -5.027
   14   1HZ   LYS   2          1HZ       LYS   2  10.745   9.218  -2.671
   15   2HZ   LYS   2          2HZ       LYS   2   9.747  10.451  -2.989
   16   3HZ   LYS   2          3HZ       LYS   2   9.906   9.359  -4.099
   17    H    SER   3           H        SER   3  17.556   7.395  -3.188
   18    HA   SER   3           HA       SER   3  17.829   4.612  -4.381
   19   1HB   SER   3          1HB       SER   3  19.632   6.588  -3.578
   20   2HB   SER   3          2HB       SER   3  19.751   5.466  -2.244
   21    HG   SER   3           HG       SER   3  20.975   4.352  -3.501
   22    H    GLU   4           H        GLU   4  15.517   5.202  -2.720
   23    HA   GLU   4           HA       GLU   4  15.548   3.933  -0.067
   24   1HB   GLU   4          1HB       GLU   4  13.392   4.509  -2.048
   25   2HB   GLU   4          2HB       GLU   4  13.138   3.192  -0.929
   26   1HG   GLU   4          1HG       GLU   4  12.129   5.449  -0.199
   27   2HG   GLU   4          2HG       GLU   4  13.158   4.710   1.022
   28    H    GLU   5           H        GLU   5  16.973   2.330   0.006
   29    HA   GLU   5           HA       GLU   5  16.915   0.086  -1.937
   30   1HB   GLU   5          1HB       GLU   5  18.929   1.379  -0.751
   31   2HB   GLU   5          2HB       GLU   5  18.802   0.105   0.424
   32   1HG   GLU   5          1HG       GLU   5  19.138  -1.614  -1.517
   33   2HG   GLU   5          2HG       GLU   5  19.441  -0.260  -2.590
   34    H    GLU   6           H        GLU   6  17.166  -0.297   1.614
   35    HA   GLU   6           HA       GLU   6  15.799  -2.841   1.828
   36   1HB   GLU   6          1HB       GLU   6  16.454  -2.702   3.917
   37   2HB   GLU   6          2HB       GLU   6  17.096  -1.122   3.586
   38   1HG   GLU   6          1HG       GLU   6  15.744  -0.308   5.263
   39   2HG   GLU   6          2HG       GLU   6  14.346  -0.584   4.240
   40    H    LEU   7           H        LEU   7  14.350   0.378   1.660
   41    HA   LEU   7           HA       LEU   7  11.512  -0.479   1.817
   42   1HB   LEU   7          1HB       LEU   7  12.842   1.922   0.452
   43   2HB   LEU   7          2HB       LEU   7  11.111   1.689   0.472
   44    HG   LEU   7           HG       LEU   7  12.561   3.147   2.344
   45   1HD1  LEU   7          1HD1      LEU   7  10.137   3.377   1.837
   46   2HD1  LEU   7          2HD1      LEU   7   9.768   1.863   2.702
   47   3HD1  LEU   7          3HD1      LEU   7  10.391   3.280   3.585
   48   1HD2  LEU   7          1HD2      LEU   7  11.836   0.439   3.689
   49   2HD2  LEU   7          2HD2      LEU   7  13.465   1.155   3.539
   50   3HD2  LEU   7          3HD2      LEU   7  12.257   1.938   4.560
   51    H    ALA   8           H        ALA   8  13.806  -0.367  -0.909
   52    HA   ALA   8           HA       ALA   8  12.011  -1.372  -2.953
   53   1HB   ALA   8          1HB       ALA   8  15.086  -1.589  -2.677
   54   2HB   ALA   8          2HB       ALA   8  14.172  -1.873  -4.172
   55   3HB   ALA   8          3HB       ALA   8  14.170  -0.265  -3.435
   56    H    ASN   9           H        ASN   9  14.637  -3.528  -1.644
   57    HA   ASN   9           HA       ASN   9  13.719  -6.066  -1.632
   58   1HB   ASN   9          1HB       ASN   9  14.360  -4.672   1.062
   59   2HB   ASN   9          2HB       ASN   9  14.437  -6.387   0.768
   60   1HD2  ASN   9          1HD2      ASN   9  17.874  -4.997   0.436
   61   2HD2  ASN   9          2HD2      ASN   9  16.595  -5.009   1.731
   62    H    ALA  10           H        ALA  10  12.159  -3.838   0.703
   63    HA   ALA  10           HA       ALA  10  10.095  -5.766   1.526
   64   1HB   ALA  10          1HB       ALA  10  11.089  -3.989   2.979
   65   2HB   ALA  10          2HB       ALA  10  10.293  -2.715   2.019
   66   3HB   ALA  10          3HB       ALA  10   9.319  -3.869   2.955
   67    H    PHE  11           H        PHE  11   9.838  -2.916  -0.641
   68    HA   PHE  11           HA       PHE  11   7.014  -3.148  -1.276
   69   1HB   PHE  11          1HB       PHE  11   8.417  -1.143  -1.717
   70   2HB   PHE  11          2HB       PHE  11   9.326  -1.991  -2.921
   71    HD1  PHE  11           HD1      PHE  11   8.047  -2.826  -5.112
   72    HD2  PHE  11           HD2      PHE  11   6.414   0.060  -2.371
   73    HE1  PHE  11           HE1      PHE  11   6.551  -1.978  -6.877
   74    HE2  PHE  11           HE2      PHE  11   4.942   0.906  -4.153
   75    HZ   PHE  11           HZ       PHE  11   4.982  -0.125  -6.389
   76    H    ARG  12           H        ARG  12   9.779  -4.634  -2.996
   77    HA   ARG  12           HA       ARG  12   8.080  -6.155  -4.853
   78   1HB   ARG  12          1HB       ARG  12  10.293  -5.610  -5.576
   79   2HB   ARG  12          2HB       ARG  12  11.055  -6.281  -4.139
   80   1HG   ARG  12          1HG       ARG  12  11.514  -7.943  -5.765
   81   2HG   ARG  12          2HG       ARG  12  10.098  -8.630  -4.958
   82   1HD   ARG  12          1HD       ARG  12   8.769  -8.471  -6.845
   83   2HD   ARG  12          2HD       ARG  12   9.339  -6.822  -7.227
   84    HE   ARG  12           HE       ARG  12  10.469  -9.333  -8.346
   85   1HH1  ARG  12          2HH1      ARG  12  11.345  -6.090  -7.499
   86   2HH1  ARG  12          1HH1      ARG  12  12.719  -6.059  -8.706
   87   1HH2  ARG  12          1HH2      ARG  12  12.021  -9.288  -9.671
   88   2HH2  ARG  12          2HH2      ARG  12  13.071  -7.811  -9.880
   89    H    ILE  13           H        ILE  13   9.347  -6.924  -1.670
   90    HA   ILE  13           HA       ILE  13   8.691  -9.841  -1.619
   91    HB   ILE  13           HB       ILE  13   9.292  -7.787   0.556
   92   1HG1  ILE  13          1HG1      ILE  13  11.233  -8.876  -0.779
   93   2HG1  ILE  13          2HG1      ILE  13  11.338  -8.938   0.959
   94   1HG2  ILE  13          1HG2      ILE  13   7.558  -9.319   1.567
   95   2HG2  ILE  13          2HG2      ILE  13   8.500 -10.748   1.079
   96   3HG2  ILE  13          3HG2      ILE  13   9.120  -9.625   2.306
   97   1HD1  ILE  13          1HD1      ILE  13  10.542 -11.325   1.023
   98   2HD1  ILE  13          2HD1      ILE  13  10.480 -11.346  -0.757
   99   3HD1  ILE  13          3HD1      ILE  13  12.031 -11.115   0.074
  100    H    PHE  14           H        PHE  14   6.939  -6.849  -0.989
  101    HA   PHE  14           HA       PHE  14   4.443  -8.023   0.079
  102   1HB   PHE  14          1HB       PHE  14   5.156  -5.325  -1.211
  103   2HB   PHE  14          2HB       PHE  14   3.496  -5.715  -0.905
  104    HD1  PHE  14           HD1      PHE  14   4.252  -7.352   1.789
  105    HD2  PHE  14           HD2      PHE  14   5.042  -3.383   0.350
  106    HE1  PHE  14           HE1      PHE  14   4.427  -6.541   4.108
  107    HE2  PHE  14           HE2      PHE  14   5.239  -2.583   2.670
  108    HZ   PHE  14           HZ       PHE  14   4.962  -4.159   4.553
  109    H    ASP  15           H        ASP  15   4.902  -6.546  -3.180
  110    HA   ASP  15           HA       ASP  15   2.727  -7.926  -4.472
  111   1HB   ASP  15          1HB       ASP  15   3.763  -5.840  -5.310
  112   2HB   ASP  15          2HB       ASP  15   5.275  -6.662  -5.666
  113    H    LYS  16           H        LYS  16   2.444  -9.781  -5.588
  114    HA   LYS  16           HA       LYS  16   4.697 -11.796  -5.662
  115   1HB   LYS  16          1HB       LYS  16   3.786 -13.409  -4.341
  116   2HB   LYS  16          2HB       LYS  16   2.990 -12.065  -3.571
  117   1HG   LYS  16          1HG       LYS  16   0.981 -13.120  -3.964
  118   2HG   LYS  16          2HG       LYS  16   1.211 -12.875  -5.690
  119   1HD   LYS  16          1HD       LYS  16   0.820 -15.250  -5.375
  120   2HD   LYS  16          2HD       LYS  16   2.502 -15.018  -5.845
  121   1HE   LYS  16          1HE       LYS  16   3.193 -16.287  -4.132
  122   2HE   LYS  16          2HE       LYS  16   2.691 -15.010  -3.005
  123   1HZ   LYS  16          1HZ       LYS  16   0.271 -16.067  -3.522
  124   2HZ   LYS  16          2HZ       LYS  16   1.104 -17.450  -3.831
  125   3HZ   LYS  16          3HZ       LYS  16   1.187 -16.725  -2.348
  126    H    ASN  17           H        ASN  17   2.706 -10.071  -7.506
  127    HA   ASN  17           HA       ASN  17   2.910 -12.249  -9.634
  128   1HB   ASN  17          1HB       ASN  17   1.307 -10.852 -10.972
  129   2HB   ASN  17          2HB       ASN  17   0.655 -11.483  -9.483
  130   1HD2  ASN  17          1HD2      ASN  17   0.308  -8.085  -8.170
  131   2HD2  ASN  17          2HD2      ASN  17   0.610  -9.766  -7.622
  132    H    ALA  18           H        ALA  18   3.857  -8.904  -8.967
  133    HA   ALA  18           HA       ALA  18   6.023  -7.947  -9.366
  134   1HB   ALA  18          1HB       ALA  18   6.691 -10.367  -9.112
  135   2HB   ALA  18          2HB       ALA  18   6.460 -10.608 -10.858
  136   3HB   ALA  18          3HB       ALA  18   7.735  -9.519 -10.286
  137    H    ASP  19           H        ASP  19   3.880  -7.280 -11.281
  138    HA   ASP  19           HA       ASP  19   5.271  -6.431 -13.770
  139   1HB   ASP  19          1HB       ASP  19   2.731  -5.495 -12.314
  140   2HB   ASP  19          2HB       ASP  19   3.310  -4.666 -13.752
  141    H    GLY  20           H        GLY  20   5.933  -5.565 -10.572
  142   1HA   GLY  20          1HA       GLY  20   7.372  -3.708  -9.800
  143   2HA   GLY  20          2HA       GLY  20   6.976  -2.817 -11.275
  144    H    TYR  21           H        TYR  21   4.066  -3.837 -10.027
  145    HA   TYR  21           HA       TYR  21   3.540  -1.065  -8.782
  146   1HB   TYR  21          1HB       TYR  21   1.637  -2.825 -10.458
  147   2HB   TYR  21          2HB       TYR  21   1.149  -1.381  -9.621
  148    HD1  TYR  21           HD1      TYR  21   3.361   0.582 -10.259
  149    HD2  TYR  21           HD2      TYR  21   1.520  -2.400 -12.753
  150    HE1  TYR  21           HE1      TYR  21   3.900   1.906 -12.277
  151    HE2  TYR  21           HE2      TYR  21   2.099  -1.074 -14.748
  152    HH   TYR  21           HH       TYR  21   4.240   1.398 -14.786
  153    H    ILE  22           H        ILE  22   2.060  -0.911  -7.025
  154    HA   ILE  22           HA       ILE  22   0.991  -3.497  -5.792
  155    HB   ILE  22           HB       ILE  22   1.143  -0.684  -4.580
  156   1HG1  ILE  22          1HG1      ILE  22   3.003  -3.074  -4.372
  157   2HG1  ILE  22          2HG1      ILE  22   3.373  -1.371  -4.359
  158   1HG2  ILE  22          1HG2      ILE  22  -0.841  -1.952  -3.642
  159   2HG2  ILE  22          2HG2      ILE  22   0.209  -3.316  -3.213
  160   3HG2  ILE  22          3HG2      ILE  22   0.383  -1.739  -2.403
  161   1HD1  ILE  22          1HD1      ILE  22   2.480  -1.140  -1.984
  162   2HD1  ILE  22          2HD1      ILE  22   2.293  -2.912  -1.930
  163   3HD1  ILE  22          3HD1      ILE  22   3.905  -2.197  -2.148
  164    H    ASP  23           H        ASP  23  -1.206  -3.806  -5.381
  165    HA   ASP  23           HA       ASP  23  -3.084  -2.169  -7.153
  166   1HB   ASP  23          1HB       ASP  23  -4.057  -4.269  -8.088
  167   2HB   ASP  23          2HB       ASP  23  -2.348  -4.124  -8.472
  168    H    ILE  24           H        ILE  24  -5.447  -2.806  -6.742
  169    HA   ILE  24           HA       ILE  24  -5.956  -2.000  -3.883
  170    HB   ILE  24           HB       ILE  24  -7.262  -1.261  -6.097
  171   1HG1  ILE  24          1HG1      ILE  24  -9.162  -0.450  -4.775
  172   2HG1  ILE  24          2HG1      ILE  24  -8.976  -1.704  -3.579
  173   1HG2  ILE  24          1HG2      ILE  24  -8.161  -3.554  -6.712
  174   2HG2  ILE  24          2HG2      ILE  24  -9.013  -3.650  -5.158
  175   3HG2  ILE  24          3HG2      ILE  24  -9.482  -2.446  -6.385
  176   1HD1  ILE  24          1HD1      ILE  24  -6.736  -0.741  -2.843
  177   2HD1  ILE  24          2HD1      ILE  24  -7.032   0.652  -3.914
  178   3HD1  ILE  24          3HD1      ILE  24  -8.135   0.328  -2.560
  179    H    GLU  25           H        GLU  25  -6.195  -4.920  -5.822
  180    HA   GLU  25           HA       GLU  25  -7.751  -6.505  -3.805
  181   1HB   GLU  25          1HB       GLU  25  -6.321  -7.921  -6.027
  182   2HB   GLU  25          2HB       GLU  25  -7.884  -8.227  -5.331
  183   1HG   GLU  25          1HG       GLU  25  -8.515  -5.852  -6.573
  184   2HG   GLU  25          2HG       GLU  25  -7.142  -6.282  -7.576
  185    H    GLU  26           H        GLU  26  -4.359  -6.090  -4.585
  186    HA   GLU  26           HA       GLU  26  -3.388  -8.085  -2.563
  187   1HB   GLU  26          1HB       GLU  26  -1.924  -6.042  -4.279
  188   2HB   GLU  26          2HB       GLU  26  -1.100  -6.965  -3.060
  189   1HG   GLU  26          1HG       GLU  26  -2.046  -9.123  -4.364
  190   2HG   GLU  26          2HG       GLU  26  -2.358  -8.003  -5.678
  191    H    LEU  27           H        LEU  27  -4.367  -4.797  -2.440
  192    HA   LEU  27           HA       LEU  27  -2.782  -3.786  -0.231
  193   1HB   LEU  27          1HB       LEU  27  -4.045  -2.372  -1.810
  194   2HB   LEU  27          2HB       LEU  27  -5.573  -2.954  -1.203
  195    HG   LEU  27           HG       LEU  27  -4.718  -0.585  -0.440
  196   1HD1  LEU  27          1HD1      LEU  27  -6.779  -1.694   0.427
  197   2HD1  LEU  27          2HD1      LEU  27  -5.832  -2.571   1.661
  198   3HD1  LEU  27          3HD1      LEU  27  -5.957  -0.789   1.695
  199   1HD2  LEU  27          1HD2      LEU  27  -3.190  -2.334   1.629
  200   2HD2  LEU  27          2HD2      LEU  27  -2.446  -1.260   0.407
  201   3HD2  LEU  27          3HD2      LEU  27  -3.425  -0.566   1.704
  202    H    GLY  28           H        GLY  28  -6.260  -4.465   0.155
  203   1HA   GLY  28          1HA       GLY  28  -6.790  -5.057   2.856
  204   2HA   GLY  28          2HA       GLY  28  -7.297  -6.154   1.566
  205    H    GLU  29           H        GLU  29  -5.236  -7.562   0.765
  206    HA   GLU  29           HA       GLU  29  -4.979  -9.455   3.073
  207   1HB   GLU  29          1HB       GLU  29  -4.478  -9.628   0.110
  208   2HB   GLU  29          2HB       GLU  29  -3.620 -10.753   1.120
  209   1HG   GLU  29          1HG       GLU  29  -6.676 -10.531   1.434
  210   2HG   GLU  29          2HG       GLU  29  -6.017 -11.402   0.061
  211    H    ILE  30           H        ILE  30  -2.874  -7.179   1.501
  212    HA   ILE  30           HA       ILE  30  -0.274  -7.889   2.774
  213    HB   ILE  30           HB       ILE  30  -1.391  -5.223   1.776
  214   1HG1  ILE  30          1HG1      ILE  30  -0.439  -5.687  -0.242
  215   2HG1  ILE  30          2HG1      ILE  30   1.119  -5.943   0.496
  216   1HG2  ILE  30          1HG2      ILE  30   0.171  -4.708   3.686
  217   2HG2  ILE  30          2HG2      ILE  30   1.447  -5.701   2.935
  218   3HG2  ILE  30          3HG2      ILE  30   0.879  -4.197   2.157
  219   1HD1  ILE  30          1HD1      ILE  30  -0.939  -8.229   0.176
  220   2HD1  ILE  30          2HD1      ILE  30   0.510  -7.932  -0.808
  221   3HD1  ILE  30          3HD1      ILE  30   0.682  -8.354   0.908
  222    H    LEU  31           H        LEU  31  -2.852  -5.606   3.748
  223    HA   LEU  31           HA       LEU  31  -1.844  -5.069   6.520
  224   1HB   LEU  31          1HB       LEU  31  -4.782  -4.836   5.887
  225   2HB   LEU  31          2HB       LEU  31  -3.770  -3.798   6.861
  226    HG   LEU  31           HG       LEU  31  -2.908  -3.632   4.046
  227   1HD1  LEU  31          1HD1      LEU  31  -5.903  -3.086   4.598
  228   2HD1  LEU  31          2HD1      LEU  31  -5.007  -2.554   3.151
  229   3HD1  LEU  31          3HD1      LEU  31  -5.202  -4.280   3.470
  230   1HD2  LEU  31          1HD2      LEU  31  -4.132  -1.557   6.004
  231   2HD2  LEU  31          2HD2      LEU  31  -2.397  -1.819   5.670
  232   3HD2  LEU  31          3HD2      LEU  31  -3.444  -1.167   4.405
  233    H    ARG  32           H        ARG  32  -3.609  -7.656   5.033
  234    HA   ARG  32           HA       ARG  32  -4.097  -8.990   7.765
  235   1HB   ARG  32          1HB       ARG  32  -5.865  -7.878   5.867
  236   2HB   ARG  32          2HB       ARG  32  -5.981  -9.601   5.518
  237   1HG   ARG  32          1HG       ARG  32  -7.661  -9.353   7.158
  238   2HG   ARG  32          2HG       ARG  32  -6.289  -9.811   8.185
  239   1HD   ARG  32          1HD       ARG  32  -6.392  -6.850   7.673
  240   2HD   ARG  32          2HD       ARG  32  -7.865  -7.450   8.468
  241    HE   ARG  32           HE       ARG  32  -5.176  -7.305   9.717
  242   1HH1  ARG  32          2HH1      ARG  32  -8.086  -9.202   9.793
  243   2HH1  ARG  32          1HH1      ARG  32  -7.779  -9.739  11.512
  244   1HH2  ARG  32          1HH2      ARG  32  -4.848  -7.958  11.640
  245   2HH2  ARG  32          2HH2      ARG  32  -6.029  -9.057  12.488
  246    H    ALA  33           H        ALA  33  -1.742  -9.433   5.906
  247    HA   ALA  33           HA       ALA  33  -2.004 -12.455   5.745
  248   1HB   ALA  33          1HB       ALA  33  -1.017 -11.204   3.832
  249   2HB   ALA  33          2HB       ALA  33   0.260 -10.535   4.884
  250   3HB   ALA  33          3HB       ALA  33   0.191 -12.280   4.553
  251    H    THR  34           H        THR  34   0.357 -10.193   7.223
  252    HA   THR  34           HA       THR  34   1.670 -12.332   8.787
  253    HB   THR  34           HB       THR  34   2.917 -10.233   9.840
  254    HG1  THR  34           HG1      THR  34   1.909  -8.510   9.153
  255   1HG2  THR  34          2HG2      THR  34   3.826 -11.874   8.067
  256   2HG2  THR  34          3HG2      THR  34   3.161 -10.808   6.802
  257   3HG2  THR  34          1HG2      THR  34   4.444 -10.214   7.870
  258    H    GLY  35           H        GLY  35   1.387 -12.964  10.814
  259   1HA   GLY  35          1HA       GLY  35   1.477 -12.360  13.219
  260   2HA   GLY  35          2HA       GLY  35   0.406 -10.991  12.901
  261   1HN   NH2  36          1HN       NH2  36   0.448 -13.498  14.861
  262   2HN   NH2  36          2HN       NH2  36  -1.224 -14.112  14.773
  263   1H    ACE  37          1HH3      ACE  37 -14.151  -5.863  14.109
  264   2H    ACE  37          2HH3      ACE  37 -12.495  -6.492  14.408
  265   3H    ACE  37          3HH3      ACE  37 -12.860  -4.767  14.670
  266    H    VAL  38           H        VAL  38 -13.440  -7.045  11.914
  267    HA   VAL  38           HA       VAL  38 -11.660  -5.240  10.182
  268    HB   VAL  38           HB       VAL  38 -10.137  -6.961  10.586
  269   1HG1  VAL  38          1HG1      VAL  38 -12.401  -9.069  10.299
  270   2HG1  VAL  38          2HG1      VAL  38 -10.677  -9.472  10.470
  271   3HG1  VAL  38          3HG1      VAL  38 -11.526  -8.650  11.784
  272   1HG2  VAL  38          1HG2      VAL  38 -10.383  -6.646   8.085
  273   2HG2  VAL  38          2HG2      VAL  38  -9.935  -8.323   8.466
  274   3HG2  VAL  38          3HG2      VAL  38 -11.618  -7.925   8.040
  275    H    THR  39           H        THR  39 -12.392  -4.961   8.102
  276    HA   THR  39           HA       THR  39 -14.771  -6.351   7.001
  277    HB   THR  39           HB       THR  39 -15.266  -3.385   7.622
  278    HG1  THR  39           HG1      THR  39 -16.213  -3.907   9.384
  279   1HG2  THR  39          2HG2      THR  39 -17.129  -5.700   6.735
  280   2HG2  THR  39          3HG2      THR  39 -17.652  -4.035   7.088
  281   3HG2  THR  39          1HG2      THR  39 -16.577  -4.354   5.711
  282    H    GLU  40           H        GLU  40 -15.041  -5.942   4.819
  283    HA   GLU  40           HA       GLU  40 -12.699  -4.795   3.336
  284   1HB   GLU  40          1HB       GLU  40 -13.334  -5.978   1.518
  285   2HB   GLU  40          2HB       GLU  40 -14.001  -6.970   2.778
  286   1HG   GLU  40          1HG       GLU  40 -16.329  -6.101   2.287
  287   2HG   GLU  40          2HG       GLU  40 -15.694  -4.980   1.097
  288    H    GLU  41           H        GLU  41 -16.098  -3.779   3.769
  289    HA   GLU  41           HA       GLU  41 -16.003  -1.349   2.286
  290   1HB   GLU  41          1HB       GLU  41 -17.553  -2.075   4.795
  291   2HB   GLU  41          2HB       GLU  41 -17.728  -0.504   4.075
  292   1HG   GLU  41          1HG       GLU  41 -19.028  -1.307   2.282
  293   2HG   GLU  41          2HG       GLU  41 -18.131  -2.806   2.129
  294    H    ASP  42           H        ASP  42 -14.787  -1.783   5.582
  295    HA   ASP  42           HA       ASP  42 -13.825   0.962   6.129
  296   1HB   ASP  42          1HB       ASP  42 -13.113  -1.835   7.159
  297   2HB   ASP  42          2HB       ASP  42 -12.121  -0.459   7.620
  298    H    ILE  43           H        ILE  43 -12.446  -1.726   4.280
  299    HA   ILE  43           HA       ILE  43  -9.751  -0.469   3.811
  300    HB   ILE  43           HB       ILE  43 -11.143  -2.937   2.717
  301   1HG1  ILE  43          1HG1      ILE  43  -9.119  -4.159   3.486
  302   2HG1  ILE  43          2HG1      ILE  43  -8.291  -2.672   3.863
  303   1HG2  ILE  43          1HG2      ILE  43 -10.112  -1.908   0.654
  304   2HG2  ILE  43          2HG2      ILE  43  -8.550  -1.749   1.481
  305   3HG2  ILE  43          3HG2      ILE  43  -9.221  -3.355   1.103
  306   1HD1  ILE  43          1HD1      ILE  43  -9.947  -2.121   5.696
  307   2HD1  ILE  43          2HD1      ILE  43 -10.726  -3.705   5.440
  308   3HD1  ILE  43          3HD1      ILE  43  -9.032  -3.621   5.970
  309    H    GLU  44           H        GLU  44 -12.901  -0.432   2.263
  310    HA   GLU  44           HA       GLU  44 -12.046   0.916  -0.275
  311   1HB   GLU  44          1HB       GLU  44 -13.995   0.212  -0.995
  312   2HB   GLU  44          2HB       GLU  44 -14.375  -0.434   0.572
  313   1HG   GLU  44          1HG       GLU  44 -16.207   0.962   0.597
  314   2HG   GLU  44          2HG       GLU  44 -15.126   2.323   0.831
  315    H    ASP  45           H        ASP  45 -13.213   1.981   2.866
  316    HA   ASP  45           HA       ASP  45 -13.421   4.907   2.205
  317   1HB   ASP  45          1HB       ASP  45 -13.637   3.206   4.731
  318   2HB   ASP  45          2HB       ASP  45 -13.344   4.930   4.912
  319    H    LEU  46           H        LEU  46 -10.899   2.736   3.350
  320    HA   LEU  46           HA       LEU  46  -8.821   4.798   3.840
  321   1HB   LEU  46          1HB       LEU  46  -8.791   2.474   4.738
  322   2HB   LEU  46          2HB       LEU  46  -8.543   1.815   3.138
  323    HG   LEU  46           HG       LEU  46  -6.443   1.872   4.566
  324   1HD1  LEU  46          1HD1      LEU  46  -6.681   2.178   1.861
  325   2HD1  LEU  46          2HD1      LEU  46  -5.794   3.665   2.224
  326   3HD1  LEU  46          3HD1      LEU  46  -5.095   2.084   2.678
  327   1HD2  LEU  46          1HD2      LEU  46  -6.773   4.937   4.321
  328   2HD2  LEU  46          2HD2      LEU  46  -6.519   3.949   5.791
  329   3HD2  LEU  46          3HD2      LEU  46  -5.204   4.137   4.629
  330    H    MET  47           H        MET  47  -9.135   2.679   0.979
  331    HA   MET  47           HA       MET  47  -7.190   4.336  -0.566
  332   1HB   MET  47          1HB       MET  47  -8.199   1.629  -0.663
  333   2HB   MET  47          2HB       MET  47  -8.544   2.351  -2.225
  334   1HG   MET  47          1HG       MET  47  -5.718   2.694  -1.094
  335   2HG   MET  47          2HG       MET  47  -6.197   1.161  -1.846
  336   1HE   MET  47          1HE       MET  47  -3.850   2.634  -2.920
  337   2HE   MET  47          2HE       MET  47  -4.543   1.239  -3.797
  338   3HE   MET  47          3HE       MET  47  -4.142   2.735  -4.691
  339    H    LYS  48           H        LYS  48 -10.515   4.840  -0.097
  340    HA   LYS  48           HA       LYS  48 -10.560   6.709  -2.485
  341   1HB   LYS  48          1HB       LYS  48 -12.527   6.461  -0.148
  342   2HB   LYS  48          2HB       LYS  48 -12.835   7.346  -1.611
  343   1HG   LYS  48          1HG       LYS  48 -12.202   4.339  -1.877
  344   2HG   LYS  48          2HG       LYS  48 -13.690   4.755  -1.086
  345   1HD   LYS  48          1HD       LYS  48 -13.427   6.328  -3.578
  346   2HD   LYS  48          2HD       LYS  48 -13.296   4.642  -3.953
  347   1HE   LYS  48          1HE       LYS  48 -15.577   4.180  -3.083
  348   2HE   LYS  48          2HE       LYS  48 -15.611   5.682  -2.175
  349   1HZ   LYS  48          1HZ       LYS  48 -15.239   6.112  -5.096
  350   2HZ   LYS  48          2HZ       LYS  48 -16.686   5.496  -4.659
  351   3HZ   LYS  48          3HZ       LYS  48 -16.261   6.897  -4.056
  352    H    ASP  49           H        ASP  49 -10.055   6.820   1.016
  353    HA   ASP  49           HA       ASP  49 -10.052   9.837   1.210
  354   1HB   ASP  49          1HB       ASP  49 -10.859   8.349   3.102
  355   2HB   ASP  49          2HB       ASP  49  -9.221   7.753   3.331
  356    H    SER  50           H        SER  50  -7.591   7.278   1.059
  357    HA   SER  50           HA       SER  50  -5.315   9.304   1.313
  358   1HB   SER  50          1HB       SER  50  -5.434   6.239   1.544
  359   2HB   SER  50          2HB       SER  50  -3.895   7.051   1.269
  360    HG   SER  50           HG       SER  50  -4.132   6.894   3.432
  361    H    ASP  51           H        ASP  51  -6.868   7.125  -0.996
  362    HA   ASP  51           HA       ASP  51  -4.992   7.550  -3.225
  363   1HB   ASP  51          1HB       ASP  51  -6.827   5.706  -2.859
  364   2HB   ASP  51          2HB       ASP  51  -7.975   6.859  -3.526
  365    H    LYS  52           H        LYS  52  -7.360   8.338  -5.075
  366    HA   LYS  52           HA       LYS  52  -8.395  10.913  -4.070
  367   1HB   LYS  52          1HB       LYS  52  -7.582  12.400  -5.878
  368   2HB   LYS  52          2HB       LYS  52  -6.317  11.913  -4.792
  369   1HG   LYS  52          1HG       LYS  52  -6.702  10.324  -7.419
  370   2HG   LYS  52          2HG       LYS  52  -6.088  11.943  -7.534
  371   1HD   LYS  52          1HD       LYS  52  -4.435  10.960  -5.509
  372   2HD   LYS  52          2HD       LYS  52  -4.633   9.514  -6.441
  373   1HE   LYS  52          1HE       LYS  52  -4.043  11.427  -8.482
  374   2HE   LYS  52          2HE       LYS  52  -3.177  12.101  -7.103
  375   1HZ   LYS  52          1HZ       LYS  52  -2.304   9.552  -6.828
  376   2HZ   LYS  52          2HZ       LYS  52  -2.709   9.442  -8.405
  377   3HZ   LYS  52          3HZ       LYS  52  -1.601  10.496  -7.993
  378    H    ASN  53           H        ASN  53  -8.521  11.280  -7.362
  379    HA   ASN  53           HA       ASN  53 -11.353  10.642  -7.434
  380   1HB   ASN  53          1HB       ASN  53 -11.140  11.356  -9.922
  381   2HB   ASN  53          2HB       ASN  53 -10.606  12.514  -8.736
  382   1HD2  ASN  53          1HD2      ASN  53  -7.387  12.683 -10.170
  383   2HD2  ASN  53          2HD2      ASN  53  -8.582  13.336  -8.961
  384    H    ASN  54           H        ASN  54  -9.064   8.332  -7.564
  385    HA   ASN  54           HA       ASN  54  -9.581   5.986  -7.494
  386   1HB   ASN  54          1HB       ASN  54 -12.322   7.197  -8.210
  387   2HB   ASN  54          2HB       ASN  54 -12.120   5.467  -8.240
  388   1HD2  ASN  54          1HD2      ASN  54 -11.260   6.511  -4.469
  389   2HD2  ASN  54          2HD2      ASN  54 -10.095   6.791  -5.839
  390    H    ASP  55           H        ASP  55  -8.549   7.341  -9.964
  391    HA   ASP  55           HA       ASP  55  -8.496   4.653 -11.424
  392   1HB   ASP  55          1HB       ASP  55  -8.047   5.762 -13.579
  393   2HB   ASP  55          2HB       ASP  55  -9.560   6.358 -12.913
  394    H    GLY  56           H        GLY  56  -6.852   4.380  -9.516
  395   1HA   GLY  56          1HA       GLY  56  -4.174   5.699 -10.029
  396   2HA   GLY  56          2HA       GLY  56  -4.932   6.129  -8.487
  397    H    ARG  57           H        ARG  57  -5.044   2.798  -9.851
  398    HA   ARG  57           HA       ARG  57  -3.538   1.241  -8.135
  399   1HB   ARG  57          1HB       ARG  57  -2.239   0.558 -10.493
  400   2HB   ARG  57          2HB       ARG  57  -3.808  -0.049  -9.966
  401   1HG   ARG  57          1HG       ARG  57  -3.750   2.600 -11.509
  402   2HG   ARG  57          2HG       ARG  57  -3.393   1.132 -12.415
  403   1HD   ARG  57          1HD       ARG  57  -5.762   0.565 -10.789
  404   2HD   ARG  57          2HD       ARG  57  -5.985   2.164 -11.497
  405    HE   ARG  57           HE       ARG  57  -5.223   1.145 -13.813
  406   1HH1  ARG  57          2HH1      ARG  57  -7.054  -0.693 -11.516
  407   2HH1  ARG  57          1HH1      ARG  57  -7.971  -1.547 -12.864
  408   1HH2  ARG  57          1HH2      ARG  57  -6.116   0.081 -15.236
  409   2HH2  ARG  57          2HH2      ARG  57  -7.389  -1.188 -14.883
  410    H    ILE  58           H        ILE  58  -1.368   0.829  -7.502
  411    HA   ILE  58           HA       ILE  58  -0.162   3.572  -6.984
  412    HB   ILE  58           HB       ILE  58  -0.125   0.989  -5.348
  413   1HG1  ILE  58          1HG1      ILE  58  -1.318   3.783  -4.760
  414   2HG1  ILE  58          2HG1      ILE  58  -2.222   2.345  -5.144
  415   1HG2  ILE  58          1HG2      ILE  58   2.144   2.082  -5.078
  416   2HG2  ILE  58          2HG2      ILE  58   1.371   3.618  -4.637
  417   3HG2  ILE  58          3HG2      ILE  58   1.223   2.193  -3.582
  418   1HD1  ILE  58          1HD1      ILE  58  -1.432   1.188  -3.030
  419   2HD1  ILE  58          2HD1      ILE  58  -0.610   2.694  -2.546
  420   3HD1  ILE  58          3HD1      ILE  58  -2.377   2.670  -2.738
  421    H    ASP  59           H        ASP  59   1.905   4.099  -7.458
  422    HA   ASP  59           HA       ASP  59   3.943   1.878  -8.020
  423   1HB   ASP  59          1HB       ASP  59   5.116   3.504  -9.514
  424   2HB   ASP  59          2HB       ASP  59   3.461   3.215 -10.031
  425    H    PHE  60           H        PHE  60   6.341   3.051  -7.734
  426    HA   PHE  60           HA       PHE  60   6.590   2.346  -4.870
  427   1HB   PHE  60          1HB       PHE  60   8.263   1.910  -6.828
  428   2HB   PHE  60          2HB       PHE  60   8.788   3.552  -6.653
  429    HD1  PHE  60           HD1      PHE  60   8.455   3.423  -3.397
  430    HD2  PHE  60           HD2      PHE  60  10.504   1.025  -6.313
  431    HE1  PHE  60           HE1      PHE  60  10.180   2.849  -1.726
  432    HE2  PHE  60           HE2      PHE  60  12.214   0.457  -4.646
  433    HZ   PHE  60           HZ       PHE  60  12.067   1.370  -2.352
  434    H    ASP  61           H        ASP  61   6.611   5.447  -6.539
  435    HA   ASP  61           HA       ASP  61   7.276   7.341  -4.425
  436   1HB   ASP  61          1HB       ASP  61   4.893   7.779  -6.403
  437   2HB   ASP  61          2HB       ASP  61   6.206   8.826  -5.912
  438    H    GLU  62           H        GLU  62   3.974   6.541  -5.329
  439    HA   GLU  62           HA       GLU  62   2.511   7.348  -2.968
  440   1HB   GLU  62          1HB       GLU  62   1.883   5.048  -4.873
  441   2HB   GLU  62          2HB       GLU  62   0.783   5.610  -3.651
  442   1HG   GLU  62          1HG       GLU  62   0.396   7.739  -4.799
  443   2HG   GLU  62          2HG       GLU  62   1.831   7.579  -5.795
  444    H    PHE  63           H        PHE  63   4.565   4.470  -3.232
  445    HA   PHE  63           HA       PHE  63   3.602   3.034  -0.786
  446   1HB   PHE  63          1HB       PHE  63   5.071   2.069  -2.678
  447   2HB   PHE  63          2HB       PHE  63   6.399   2.999  -2.069
  448    HD1  PHE  63           HD1      PHE  63   4.234   0.055  -1.201
  449    HD2  PHE  63           HD2      PHE  63   7.737   2.342  -0.196
  450    HE1  PHE  63           HE1      PHE  63   4.998  -1.743   0.304
  451    HE2  PHE  63           HE2      PHE  63   8.481   0.545   1.283
  452    HZ   PHE  63           HZ       PHE  63   7.088  -1.472   1.597
  453    H    LEU  64           H        LEU  64   6.423   5.176  -1.339
  454    HA   LEU  64           HA       LEU  64   7.158   5.670   1.402
  455   1HB   LEU  64          1HB       LEU  64   7.434   7.458  -1.067
  456   2HB   LEU  64          2HB       LEU  64   8.105   7.923   0.479
  457    HG   LEU  64           HG       LEU  64   8.874   5.251  -0.824
  458   1HD1  LEU  64          1HD1      LEU  64  10.134   8.030  -1.354
  459   2HD1  LEU  64          2HD1      LEU  64  10.882   6.471  -1.795
  460   3HD1  LEU  64          3HD1      LEU  64   9.342   6.938  -2.523
  461   1HD2  LEU  64          1HD2      LEU  64  10.316   7.078   1.237
  462   2HD2  LEU  64          2HD2      LEU  64   9.618   5.460   1.540
  463   3HD2  LEU  64          3HD2      LEU  64  11.030   5.627   0.488
  464    H    LYS  65           H        LYS  65   4.646   7.387  -0.452
  465    HA   LYS  65           HA       LYS  65   3.794   9.159   1.769
  466   1HB   LYS  65          1HB       LYS  65   2.433  10.001   0.146
  467   2HB   LYS  65          2HB       LYS  65   3.556   9.164  -0.909
  468   1HG   LYS  65          1HG       LYS  65   1.605   8.382  -1.897
  469   2HG   LYS  65          2HG       LYS  65   1.578   7.211  -0.565
  470   1HD   LYS  65          1HD       LYS  65  -0.567   8.180  -0.423
  471   2HD   LYS  65          2HD       LYS  65   0.316   8.996   0.872
  472   1HE   LYS  65          1HE       LYS  65  -1.317  10.377  -0.731
  473   2HE   LYS  65          2HE       LYS  65   0.244  11.090  -0.286
  474   1HZ   LYS  65          1HZ       LYS  65   0.283   9.341  -2.728
  475   2HZ   LYS  65          2HZ       LYS  65  -0.384  10.838  -2.916
  476   3HZ   LYS  65          3HZ       LYS  65   1.157  10.655  -2.419
  477    H    MET  66           H        MET  66   2.558   6.006   0.596
  478    HA   MET  66           HA       MET  66   0.402   5.601   2.395
  479   1HB   MET  66          1HB       MET  66   1.103   4.187   0.365
  480   2HB   MET  66          2HB       MET  66   2.284   3.390   1.382
  481   1HG   MET  66          1HG       MET  66   0.250   2.771   2.982
  482   2HG   MET  66          2HG       MET  66  -0.764   3.140   1.574
  483   1HE   MET  66          1HE       MET  66   1.791   2.482  -0.561
  484   2HE   MET  66          2HE       MET  66   1.220   0.893  -1.151
  485   3HE   MET  66          3HE       MET  66   0.060   2.242  -0.952
  486    H    MET  67           H        MET  67   3.590   3.996   3.004
  487    HA   MET  67           HA       MET  67   3.333   3.608   5.870
  488   1HB   MET  67          1HB       MET  67   5.248   2.841   4.187
  489   2HB   MET  67          2HB       MET  67   5.990   4.386   4.551
  490   1HG   MET  67          1HG       MET  67   7.063   2.930   6.089
  491   2HG   MET  67          2HG       MET  67   5.845   3.730   7.101
  492   1HE   MET  67          1HE       MET  67   6.759   1.006   4.772
  493   2HE   MET  67          2HE       MET  67   7.010  -0.146   6.123
  494   3HE   MET  67          3HE       MET  67   5.607  -0.338   5.027
  495    H    GLU  68           H        GLU  68   5.330   6.207   4.438
  496    HA   GLU  68           HA       GLU  68   5.276   7.579   7.128
  497   1HB   GLU  68          1HB       GLU  68   7.475   7.788   6.994
  498   2HB   GLU  68          2HB       GLU  68   7.359   6.566   5.764
  499   1HG   GLU  68          1HG       GLU  68   8.598   7.984   4.430
  500   2HG   GLU  68          2HG       GLU  68   7.148   8.949   4.219
  501    H    GLY  69           H        GLY  69   3.566   8.181   4.483
  502   1HA   GLY  69          1HA       GLY  69   3.703  11.241   4.500
  503   2HA   GLY  69          2HA       GLY  69   2.628  10.278   3.480
  504    H    VAL  70           H        VAL  70   1.923   8.643   6.030
  505    HA   VAL  70           HA       VAL  70  -0.407  10.506   6.787
  506    HB   VAL  70           HB       VAL  70  -0.447   7.500   6.239
  507   1HG1  VAL  70          1HG1      VAL  70  -2.637   9.117   7.729
  508   2HG1  VAL  70          2HG1      VAL  70  -2.841   7.464   7.095
  509   3HG1  VAL  70          3HG1      VAL  70  -1.688   7.768   8.397
  510   1HG2  VAL  70          1HG2      VAL  70  -0.968   9.008   4.278
  511   2HG2  VAL  70          2HG2      VAL  70  -2.376   8.063   4.739
  512   3HG2  VAL  70          3HG2      VAL  70  -2.275   9.790   5.193
  513    H    GLN  71           H        GLN  71   0.230  11.297   8.733
  514    HA   GLN  71           HA       GLN  71   1.146   9.504  10.952
  515   1HB   GLN  71          1HB       GLN  71   3.305  11.259  11.041
  516   2HB   GLN  71          2HB       GLN  71   3.333   9.587  10.485
  517   1HG   GLN  71          1HG       GLN  71   4.377  10.799   8.707
  518   2HG   GLN  71          2HG       GLN  71   2.760  10.552   8.074
  519   1HE2  GLN  71          1HE2      GLN  71   3.976  14.357   8.949
  520   2HE2  GLN  71          2HE2      GLN  71   4.857  12.893   9.656
  521   1HN   NH2  72          1HN       NH2  72   2.000  13.030  10.624
  522   2HN   NH2  72          2HN       NH2  72   0.848  13.608  11.857
   
  No H/Q in entry =         522
  Start of MODEL   15
    1   1H    ACE   1          1HH3      ACE   1  19.819  10.334  -4.368
    2   2H    ACE   1          2HH3      ACE   1  19.485  12.068  -4.019
    3   3H    ACE   1          3HH3      ACE   1  20.942  11.273  -3.360
    4    H    LYS   2           H        LYS   2  17.359  10.947  -3.236
    5    HA   LYS   2           HA       LYS   2  17.417  10.215  -0.365
    6   1HB   LYS   2          1HB       LYS   2  15.035   9.992  -2.276
    7   2HB   LYS   2          2HB       LYS   2  14.932  10.052  -0.530
    8   1HG   LYS   2          1HG       LYS   2  15.596  12.482  -0.545
    9   2HG   LYS   2          2HG       LYS   2  16.143  12.379  -2.198
   10   1HD   LYS   2          1HD       LYS   2  14.091  13.267  -2.748
   11   2HD   LYS   2          2HD       LYS   2  13.447  11.639  -2.522
   12   1HE   LYS   2          1HE       LYS   2  13.360  12.328   0.087
   13   2HE   LYS   2          2HE       LYS   2  13.353  13.992  -0.525
   14   1HZ   LYS   2          1HZ       LYS   2  11.409  12.800  -2.151
   15   2HZ   LYS   2          2HZ       LYS   2  11.295  11.866  -0.836
   16   3HZ   LYS   2          3HZ       LYS   2  11.005  13.393  -0.652
   17    H    SER   3           H        SER   3  17.952   8.328   0.394
   18    HA   SER   3           HA       SER   3  18.630   5.995  -1.039
   19   1HB   SER   3          1HB       SER   3  18.419   6.835   1.737
   20   2HB   SER   3          2HB       SER   3  17.919   5.162   1.652
   21    HG   SER   3           HG       SER   3  20.355   6.330   0.697
   22    H    GLU   4           H        GLU   4  17.700   4.137  -1.766
   23    HA   GLU   4           HA       GLU   4  14.647   4.071  -1.732
   24   1HB   GLU   4          1HB       GLU   4  14.314   3.819  -3.941
   25   2HB   GLU   4          2HB       GLU   4  15.618   4.978  -3.852
   26   1HG   GLU   4          1HG       GLU   4  17.237   2.957  -4.447
   27   2HG   GLU   4          2HG       GLU   4  15.780   2.054  -4.841
   28    H    GLU   5           H        GLU   5  17.549   2.297  -1.339
   29    HA   GLU   5           HA       GLU   5  16.855  -0.297  -2.163
   30   1HB   GLU   5          1HB       GLU   5  19.089   0.760  -1.222
   31   2HB   GLU   5          2HB       GLU   5  18.628   0.006   0.275
   32   1HG   GLU   5          1HG       GLU   5  20.250  -1.262  -1.460
   33   2HG   GLU   5          2HG       GLU   5  19.100  -2.189  -0.513
   34    H    GLU   6           H        GLU   6  16.475   0.669   1.287
   35    HA   GLU   6           HA       GLU   6  15.450  -2.035   2.052
   36   1HB   GLU   6          1HB       GLU   6  16.294   0.421   3.477
   37   2HB   GLU   6          2HB       GLU   6  14.946  -0.365   4.241
   38   1HG   GLU   6          1HG       GLU   6  17.515  -0.984   4.879
   39   2HG   GLU   6          2HG       GLU   6  16.247  -2.190   4.988
   40    H    LEU   7           H        LEU   7  13.936   1.045   1.262
   41    HA   LEU   7           HA       LEU   7  11.125   0.135   1.777
   42   1HB   LEU   7          1HB       LEU   7  12.227   2.467   0.116
   43   2HB   LEU   7          2HB       LEU   7  10.523   2.187   0.379
   44    HG   LEU   7           HG       LEU   7  12.116   3.847   1.920
   45   1HD1  LEU   7          1HD1      LEU   7   9.635   3.909   1.755
   46   2HD1  LEU   7          2HD1      LEU   7   9.488   2.455   2.776
   47   3HD1  LEU   7          3HD1      LEU   7  10.139   3.971   3.450
   48   1HD2  LEU   7          1HD2      LEU   7  11.760   1.227   3.557
   49   2HD2  LEU   7          2HD2      LEU   7  13.303   2.011   3.118
   50   3HD2  LEU   7          3HD2      LEU   7  12.203   2.813   4.242
   51    H    ALA   8           H        ALA   8  13.269   0.021  -1.070
   52    HA   ALA   8           HA       ALA   8  11.437  -1.277  -2.888
   53   1HB   ALA   8          1HB       ALA   8  14.510  -1.520  -2.617
   54   2HB   ALA   8          2HB       ALA   8  13.567  -2.017  -4.036
   55   3HB   ALA   8          3HB       ALA   8  13.611  -0.313  -3.567
   56    H    ASN   9           H        ASN   9  14.045  -3.258  -1.315
   57    HA   ASN   9           HA       ASN   9  12.984  -5.749  -0.946
   58   1HB   ASN   9          1HB       ASN   9  14.179  -3.992   1.306
   59   2HB   ASN   9          2HB       ASN   9  13.871  -5.694   1.512
   60   1HD2  ASN   9          1HD2      ASN   9  16.772  -6.633  -0.336
   61   2HD2  ASN   9          2HD2      ASN   9  15.207  -7.199   0.399
   62    H    ALA  10           H        ALA  10  11.809  -3.091   1.147
   63    HA   ALA  10           HA       ALA  10   9.814  -4.708   2.574
   64   1HB   ALA  10          1HB       ALA  10  10.974  -2.687   3.484
   65   2HB   ALA  10          2HB       ALA  10  10.094  -1.632   2.348
   66   3HB   ALA  10          3HB       ALA  10   9.213  -2.516   3.612
   67    H    PHE  11           H        PHE  11   9.324  -2.299  -0.034
   68    HA   PHE  11           HA       PHE  11   6.468  -2.636  -0.413
   69   1HB   PHE  11          1HB       PHE  11   7.815  -0.755  -1.312
   70   2HB   PHE  11          2HB       PHE  11   8.647  -1.812  -2.403
   71    HD1  PHE  11           HD1      PHE  11   5.860  -3.371  -3.201
   72    HD2  PHE  11           HD2      PHE  11   7.146   0.734  -3.149
   73    HE1  PHE  11           HE1      PHE  11   4.280  -2.840  -5.016
   74    HE2  PHE  11           HE2      PHE  11   5.626   1.224  -5.020
   75    HZ   PHE  11           HZ       PHE  11   4.184  -0.546  -5.944
   76    H    ARG  12           H        ARG  12   9.091  -4.382  -2.126
   77    HA   ARG  12           HA       ARG  12   7.224  -6.266  -3.422
   78   1HB   ARG  12          1HB       ARG  12  10.257  -6.635  -3.095
   79   2HB   ARG  12          2HB       ARG  12   9.223  -7.404  -4.294
   80   1HG   ARG  12          1HG       ARG  12   8.829  -4.524  -4.558
   81   2HG   ARG  12          2HG       ARG  12  10.572  -4.777  -4.401
   82   1HD   ARG  12          1HD       ARG  12  10.088  -6.763  -6.225
   83   2HD   ARG  12          2HD       ARG  12   8.682  -5.729  -6.601
   84    HE   ARG  12           HE       ARG  12  10.499  -3.753  -6.703
   85   1HH1  ARG  12          2HH1      ARG  12  11.121  -6.999  -7.744
   86   2HH1  ARG  12          1HH1      ARG  12  12.358  -6.454  -8.975
   87   1HH2  ARG  12          1HH2      ARG  12  11.892  -3.165  -8.074
   88   2HH2  ARG  12          2HH2      ARG  12  12.756  -4.360  -9.148
   89    H    ILE  13           H        ILE  13   8.441  -6.220  -0.226
   90    HA   ILE  13           HA       ILE  13   7.911  -9.102   0.376
   91    HB   ILE  13           HB       ILE  13   8.436  -6.645   2.099
   92   1HG1  ILE  13          1HG1      ILE  13  10.363  -8.101   1.009
   93   2HG1  ILE  13          2HG1      ILE  13  10.510  -7.582   2.666
   94   1HG2  ILE  13          1HG2      ILE  13   6.696  -7.942   3.391
   95   2HG2  ILE  13          2HG2      ILE  13   7.652  -9.434   3.229
   96   3HG2  ILE  13          3HG2      ILE  13   8.248  -8.071   4.197
   97   1HD1  ILE  13          1HD1      ILE  13   9.752  -9.816   3.540
   98   2HD1  ILE  13          2HD1      ILE  13   9.646 -10.427   1.870
   99   3HD1  ILE  13          3HD1      ILE  13  11.214  -9.926   2.534
  100    H    PHE  14           H        PHE  14   6.055  -6.098   0.533
  101    HA   PHE  14           HA       PHE  14   3.608  -7.259   1.898
  102   1HB   PHE  14          1HB       PHE  14   4.267  -4.573   0.549
  103   2HB   PHE  14          2HB       PHE  14   2.618  -4.993   0.878
  104    HD1  PHE  14           HD1      PHE  14   4.771  -6.380   3.454
  105    HD2  PHE  14           HD2      PHE  14   2.791  -2.775   2.215
  106    HE1  PHE  14           HE1      PHE  14   4.887  -5.521   5.759
  107    HE2  PHE  14           HE2      PHE  14   2.930  -1.912   4.518
  108    HZ   PHE  14           HZ       PHE  14   3.933  -3.309   6.308
  109    H    ASP  15           H        ASP  15   4.755  -6.616  -1.389
  110    HA   ASP  15           HA       ASP  15   2.208  -7.234  -2.728
  111   1HB   ASP  15          1HB       ASP  15   3.933  -5.600  -3.542
  112   2HB   ASP  15          2HB       ASP  15   5.057  -6.909  -3.870
  113    H    LYS  16           H        LYS  16   1.485  -9.022  -3.859
  114    HA   LYS  16           HA       LYS  16   2.626 -11.609  -2.741
  115   1HB   LYS  16          1HB       LYS  16   0.511 -12.588  -2.726
  116   2HB   LYS  16          2HB       LYS  16   0.148 -10.945  -2.276
  117   1HG   LYS  16          1HG       LYS  16  -1.419 -10.884  -3.964
  118   2HG   LYS  16          2HG       LYS  16  -0.136 -11.052  -5.156
  119   1HD   LYS  16          1HD       LYS  16  -2.167 -13.028  -4.318
  120   2HD   LYS  16          2HD       LYS  16  -1.162 -12.963  -5.764
  121   1HE   LYS  16          1HE       LYS  16   0.815 -13.896  -4.328
  122   2HE   LYS  16          2HE       LYS  16  -0.411 -14.352  -3.127
  123   1HZ   LYS  16          1HZ       LYS  16  -0.675 -15.105  -6.085
  124   2HZ   LYS  16          2HZ       LYS  16  -0.096 -16.133  -4.929
  125   3HZ   LYS  16          3HZ       LYS  16  -1.633 -15.604  -4.846
  126    H    ASN  17           H        ASN  17   1.257 -10.231  -5.743
  127    HA   ASN  17           HA       ASN  17   2.129 -12.627  -7.310
  128   1HB   ASN  17          1HB       ASN  17  -0.174 -11.877  -7.511
  129   2HB   ASN  17          2HB       ASN  17   0.291 -10.263  -7.976
  130   1HD2  ASN  17          1HD2      ASN  17  -0.406 -11.237 -11.265
  131   2HD2  ASN  17          2HD2      ASN  17  -0.956 -10.277  -9.852
  132    H    ALA  18           H        ALA  18   2.913  -9.140  -7.402
  133    HA   ALA  18           HA       ALA  18   5.188  -8.317  -7.673
  134   1HB   ALA  18          1HB       ALA  18   5.878 -10.650  -7.003
  135   2HB   ALA  18          2HB       ALA  18   5.729 -11.174  -8.695
  136   3HB   ALA  18          3HB       ALA  18   6.962  -9.980  -8.254
  137    H    ASP  19           H        ASP  19   3.145  -7.952  -9.751
  138    HA   ASP  19           HA       ASP  19   4.920  -7.334 -12.127
  139   1HB   ASP  19          1HB       ASP  19   2.855  -6.239 -13.060
  140   2HB   ASP  19          2HB       ASP  19   2.582  -7.911 -12.590
  141    H    GLY  20           H        GLY  20   4.775  -6.065  -9.087
  142   1HA   GLY  20          1HA       GLY  20   6.336  -4.265  -8.442
  143   2HA   GLY  20          2HA       GLY  20   6.094  -3.513 -10.024
  144    H    TYR  21           H        TYR  21   3.131  -4.272  -8.504
  145    HA   TYR  21           HA       TYR  21   2.725  -1.341  -7.634
  146   1HB   TYR  21          1HB       TYR  21   0.696  -3.158  -9.085
  147   2HB   TYR  21          2HB       TYR  21   0.263  -1.673  -8.291
  148    HD1  TYR  21           HD1      TYR  21   2.640   0.085  -9.094
  149    HD2  TYR  21           HD2      TYR  21   0.148  -2.576 -11.377
  150    HE1  TYR  21           HE1      TYR  21   2.996   1.462 -11.107
  151    HE2  TYR  21           HE2      TYR  21   0.556  -1.198 -13.389
  152    HH   TYR  21           HH       TYR  21   2.807   0.564 -13.969
  153    H    ILE  22           H        ILE  22   1.394  -0.992  -5.809
  154    HA   ILE  22           HA       ILE  22   0.345  -3.414  -4.262
  155    HB   ILE  22           HB       ILE  22   0.610  -0.484  -3.404
  156   1HG1  ILE  22          1HG1      ILE  22   2.212  -3.000  -2.703
  157   2HG1  ILE  22          2HG1      ILE  22   2.794  -1.423  -3.162
  158   1HG2  ILE  22          1HG2      ILE  22  -1.473  -1.469  -2.348
  159   2HG2  ILE  22          2HG2      ILE  22  -0.532  -2.837  -1.722
  160   3HG2  ILE  22          3HG2      ILE  22  -0.248  -1.183  -1.124
  161   1HD1  ILE  22          1HD1      ILE  22   2.030  -0.435  -0.941
  162   2HD1  ILE  22          2HD1      ILE  22   1.623  -2.083  -0.399
  163   3HD1  ILE  22          3HD1      ILE  22   3.302  -1.674  -0.810
  164    H    ASP  23           H        ASP  23  -1.683  -3.988  -4.323
  165    HA   ASP  23           HA       ASP  23  -3.775  -2.180  -5.625
  166   1HB   ASP  23          1HB       ASP  23  -4.894  -4.494  -6.144
  167   2HB   ASP  23          2HB       ASP  23  -3.444  -4.052  -7.034
  168    H    ILE  24           H        ILE  24  -6.092  -2.862  -5.049
  169    HA   ILE  24           HA       ILE  24  -6.586  -2.428  -2.108
  170    HB   ILE  24           HB       ILE  24  -8.015  -1.570  -4.200
  171   1HG1  ILE  24          1HG1      ILE  24  -8.437  -1.051  -1.692
  172   2HG1  ILE  24          2HG1      ILE  24  -9.806  -0.934  -2.764
  173   1HG2  ILE  24          1HG2      ILE  24  -8.730  -3.851  -5.052
  174   2HG2  ILE  24          2HG2      ILE  24  -9.525  -4.194  -3.503
  175   3HG2  ILE  24          3HG2      ILE  24 -10.132  -2.908  -4.577
  176   1HD1  ILE  24          1HD1      ILE  24 -10.610  -3.249  -2.073
  177   2HD1  ILE  24          2HD1      ILE  24  -9.337  -3.273  -0.829
  178   3HD1  ILE  24          3HD1      ILE  24 -10.612  -2.039  -0.764
  179    H    GLU  25           H        GLU  25  -6.357  -5.148  -4.262
  180    HA   GLU  25           HA       GLU  25  -7.813  -7.102  -2.513
  181   1HB   GLU  25          1HB       GLU  25  -7.175  -7.047  -5.206
  182   2HB   GLU  25          2HB       GLU  25  -6.014  -8.201  -4.624
  183   1HG   GLU  25          1HG       GLU  25  -8.920  -8.650  -3.770
  184   2HG   GLU  25          2HG       GLU  25  -8.534  -8.916  -5.461
  185    H    GLU  26           H        GLU  26  -4.507  -6.033  -2.824
  186    HA   GLU  26           HA       GLU  26  -3.269  -8.326  -1.332
  187   1HB   GLU  26          1HB       GLU  26  -1.216  -7.478  -1.818
  188   2HB   GLU  26          2HB       GLU  26  -2.140  -6.925  -3.182
  189   1HG   GLU  26          1HG       GLU  26  -0.832  -5.007  -2.678
  190   2HG   GLU  26          2HG       GLU  26  -2.322  -4.594  -1.850
  191    H    LEU  27           H        LEU  27  -4.085  -4.968  -0.545
  192    HA   LEU  27           HA       LEU  27  -2.936  -4.536   2.063
  193   1HB   LEU  27          1HB       LEU  27  -4.136  -2.822   0.768
  194   2HB   LEU  27          2HB       LEU  27  -5.656  -3.659   0.943
  195    HG   LEU  27           HG       LEU  27  -4.271  -2.828   3.525
  196   1HD1  LEU  27          1HD1      LEU  27  -3.952  -0.833   2.056
  197   2HD1  LEU  27          2HD1      LEU  27  -5.699  -0.782   1.686
  198   3HD1  LEU  27          3HD1      LEU  27  -5.104  -0.502   3.348
  199   1HD2  LEU  27          1HD2      LEU  27  -7.246  -2.722   2.623
  200   2HD2  LEU  27          2HD2      LEU  27  -6.500  -3.990   3.640
  201   3HD2  LEU  27          3HD2      LEU  27  -6.616  -2.335   4.248
  202    H    GLY  28           H        GLY  28  -6.289  -5.737   1.633
  203   1HA   GLY  28          1HA       GLY  28  -6.887  -6.544   4.265
  204   2HA   GLY  28          2HA       GLY  28  -7.570  -7.391   2.872
  205    H    GLU  29           H        GLU  29  -5.079  -8.578   1.955
  206    HA   GLU  29           HA       GLU  29  -4.734 -10.842   3.820
  207   1HB   GLU  29          1HB       GLU  29  -4.415 -11.800   1.865
  208   2HB   GLU  29          2HB       GLU  29  -4.148 -10.291   1.046
  209   1HG   GLU  29          1HG       GLU  29  -1.672 -10.412   1.518
  210   2HG   GLU  29          2HG       GLU  29  -1.889 -11.843   2.508
  211    H    ILE  30           H        ILE  30  -2.849  -7.953   3.289
  212    HA   ILE  30           HA       ILE  30  -0.555  -8.575   5.116
  213    HB   ILE  30           HB       ILE  30  -1.759  -5.946   4.133
  214   1HG1  ILE  30          1HG1      ILE  30   0.869  -7.423   3.532
  215   2HG1  ILE  30          2HG1      ILE  30  -0.346  -6.871   2.411
  216   1HG2  ILE  30          1HG2      ILE  30  -0.971  -5.525   6.491
  217   2HG2  ILE  30          2HG2      ILE  30   0.626  -6.212   6.100
  218   3HG2  ILE  30          3HG2      ILE  30   0.069  -4.696   5.338
  219   1HD1  ILE  30          1HD1      ILE  30   1.522  -4.908   3.899
  220   2HD1  ILE  30          2HD1      ILE  30   1.641  -5.444   2.210
  221   3HD1  ILE  30          3HD1      ILE  30   0.245  -4.480   2.731
  222    H    LEU  31           H        LEU  31  -3.532  -6.621   5.653
  223    HA   LEU  31           HA       LEU  31  -3.107  -6.426   8.621
  224   1HB   LEU  31          1HB       LEU  31  -5.809  -5.871   7.407
  225   2HB   LEU  31          2HB       LEU  31  -4.975  -5.029   8.690
  226    HG   LEU  31           HG       LEU  31  -4.224  -4.797   5.713
  227   1HD1  LEU  31          1HD1      LEU  31  -5.895  -2.915   7.512
  228   2HD1  LEU  31          2HD1      LEU  31  -5.301  -2.521   5.877
  229   3HD1  LEU  31          3HD1      LEU  31  -6.451  -3.844   6.092
  230   1HD2  LEU  31          1HD2      LEU  31  -3.261  -3.178   8.180
  231   2HD2  LEU  31          2HD2      LEU  31  -2.262  -4.221   7.129
  232   3HD2  LEU  31          3HD2      LEU  31  -2.950  -2.728   6.482
  233    H    ARG  32           H        ARG  32  -4.336  -8.966   6.648
  234    HA   ARG  32           HA       ARG  32  -5.449 -10.395   9.058
  235   1HB   ARG  32          1HB       ARG  32  -6.437 -10.610   6.831
  236   2HB   ARG  32          2HB       ARG  32  -4.912 -11.122   6.110
  237   1HG   ARG  32          1HG       ARG  32  -5.090 -13.183   7.812
  238   2HG   ARG  32          2HG       ARG  32  -6.762 -12.641   8.049
  239   1HD   ARG  32          1HD       ARG  32  -5.735 -13.016   5.175
  240   2HD   ARG  32          2HD       ARG  32  -6.155 -14.461   6.121
  241    HE   ARG  32           HE       ARG  32  -8.261 -12.322   6.268
  242   1HH1  ARG  32          2HH1      ARG  32  -7.232 -15.100   4.453
  243   2HH1  ARG  32          1HH1      ARG  32  -8.896 -15.341   3.737
  244   1HH2  ARG  32          1HH2      ARG  32 -10.122 -12.628   5.445
  245   2HH2  ARG  32          2HH2      ARG  32 -10.434 -13.991   4.274
  246    H    ALA  33           H        ALA  33  -2.539 -10.726   7.006
  247    HA   ALA  33           HA       ALA  33  -1.588 -13.209   7.717
  248   1HB   ALA  33          1HB       ALA  33  -0.568 -11.736   5.987
  249   2HB   ALA  33          2HB       ALA  33   0.191 -10.725   7.247
  250   3HB   ALA  33          3HB       ALA  33   0.688 -12.418   7.034
  251    H    THR  34           H        THR  34   0.382 -10.665   9.201
  252    HA   THR  34           HA       THR  34  -0.235 -11.650  11.989
  253    HB   THR  34           HB       THR  34   2.511 -11.087  12.264
  254    HG1  THR  34           HG1      THR  34   3.545 -11.920  10.693
  255   1HG2  THR  34          2HG2      THR  34   1.087 -12.914  13.402
  256   2HG2  THR  34          3HG2      THR  34   1.230 -13.891  11.918
  257   3HG2  THR  34          1HG2      THR  34   2.680 -13.503  12.860
  258    H    GLY  35           H        GLY  35   0.048 -10.048  13.571
  259   1HA   GLY  35          1HA       GLY  35  -0.550  -7.239  13.187
  260   2HA   GLY  35          2HA       GLY  35   0.366  -7.871  14.560
  261   1HN   NH2  36          1HN       NH2  36   2.774  -8.017  14.420
  262   2HN   NH2  36          2HN       NH2  36   3.622  -6.829  13.395
  263   1H    ACE  37          1HH3      ACE  37 -16.994  -4.168  13.183
  264   2H    ACE  37          2HH3      ACE  37 -16.979  -3.796  11.425
  265   3H    ACE  37          3HH3      ACE  37 -18.152  -4.966  12.084
  266    H    VAL  38           H        VAL  38 -14.615  -4.455  12.076
  267    HA   VAL  38           HA       VAL  38 -12.913  -5.727  10.942
  268    HB   VAL  38           HB       VAL  38 -14.193  -7.913  12.658
  269   1HG1  VAL  38          1HG1      VAL  38 -11.642  -8.162  10.901
  270   2HG1  VAL  38          2HG1      VAL  38 -12.091  -9.314  12.180
  271   3HG1  VAL  38          3HG1      VAL  38 -13.124  -9.126  10.759
  272   1HG2  VAL  38          1HG2      VAL  38 -12.900  -6.149  13.936
  273   2HG2  VAL  38          2HG2      VAL  38 -12.061  -7.714  14.003
  274   3HG2  VAL  38          3HG2      VAL  38 -11.480  -6.437  12.907
  275    H    THR  39           H        THR  39 -13.946  -5.226   8.871
  276    HA   THR  39           HA       THR  39 -15.596  -7.403   7.585
  277    HB   THR  39           HB       THR  39 -17.220  -5.337   6.809
  278    HG1  THR  39           HG1      THR  39 -16.716  -3.798   8.187
  279   1HG2  THR  39          2HG2      THR  39 -17.578  -7.092   9.340
  280   2HG2  THR  39          3HG2      THR  39 -18.891  -6.266   8.464
  281   3HG2  THR  39          1HG2      THR  39 -17.980  -7.570   7.674
  282    H    GLU  40           H        GLU  40 -16.327  -6.240   5.286
  283    HA   GLU  40           HA       GLU  40 -13.821  -5.425   3.853
  284   1HB   GLU  40          1HB       GLU  40 -16.659  -5.974   2.924
  285   2HB   GLU  40          2HB       GLU  40 -15.518  -5.224   1.850
  286   1HG   GLU  40          1HG       GLU  40 -14.212  -7.218   1.599
  287   2HG   GLU  40          2HG       GLU  40 -14.659  -7.861   3.168
  288    H    GLU  41           H        GLU  41 -16.865  -3.756   4.660
  289    HA   GLU  41           HA       GLU  41 -16.212  -1.235   3.439
  290   1HB   GLU  41          1HB       GLU  41 -18.180  -0.385   4.276
  291   2HB   GLU  41          2HB       GLU  41 -18.493  -2.088   4.139
  292   1HG   GLU  41          1HG       GLU  41 -17.873  -2.108   6.801
  293   2HG   GLU  41          2HG       GLU  41 -18.250  -0.398   6.690
  294    H    ASP  42           H        ASP  42 -15.271  -2.264   6.719
  295    HA   ASP  42           HA       ASP  42 -13.816   0.069   7.509
  296   1HB   ASP  42          1HB       ASP  42 -13.289  -2.929   7.896
  297   2HB   ASP  42          2HB       ASP  42 -12.183  -1.741   8.571
  298    H    ILE  43           H        ILE  43 -12.711  -2.386   5.176
  299    HA   ILE  43           HA       ILE  43  -9.993  -1.167   4.736
  300    HB   ILE  43           HB       ILE  43 -11.520  -3.419   3.366
  301   1HG1  ILE  43          1HG1      ILE  43  -9.456  -4.787   3.930
  302   2HG1  ILE  43          2HG1      ILE  43  -8.725  -3.396   4.683
  303   1HG2  ILE  43          1HG2      ILE  43 -10.399  -2.187   1.467
  304   2HG2  ILE  43          2HG2      ILE  43  -8.845  -2.225   2.324
  305   3HG2  ILE  43          3HG2      ILE  43  -9.596  -3.728   1.730
  306   1HD1  ILE  43          1HD1      ILE  43 -10.555  -3.279   6.427
  307   2HD1  ILE  43          2HD1      ILE  43 -11.244  -4.790   5.776
  308   3HD1  ILE  43          3HD1      ILE  43  -9.607  -4.783   6.468
  309    H    GLU  44           H        GLU  44 -13.205  -0.815   3.386
  310    HA   GLU  44           HA       GLU  44 -12.395   0.756   0.962
  311   1HB   GLU  44          1HB       GLU  44 -14.382   0.165   0.244
  312   2HB   GLU  44          2HB       GLU  44 -14.736  -0.611   1.757
  313   1HG   GLU  44          1HG       GLU  44 -16.526   0.824   1.966
  314   2HG   GLU  44          2HG       GLU  44 -15.399   2.129   2.289
  315    H    ASP  45           H        ASP  45 -13.380   1.533   4.239
  316    HA   ASP  45           HA       ASP  45 -13.355   4.517   3.980
  317   1HB   ASP  45          1HB       ASP  45 -13.237   2.553   6.337
  318   2HB   ASP  45          2HB       ASP  45 -12.989   4.275   6.592
  319    H    LEU  46           H        LEU  46 -10.931   2.027   4.502
  320    HA   LEU  46           HA       LEU  46  -8.744   3.878   5.336
  321   1HB   LEU  46          1HB       LEU  46  -8.995   1.492   6.052
  322   2HB   LEU  46          2HB       LEU  46  -8.639   0.937   4.433
  323    HG   LEU  46           HG       LEU  46  -6.725   0.835   6.222
  324   1HD1  LEU  46          1HD1      LEU  46  -6.281   2.056   3.438
  325   2HD1  LEU  46          2HD1      LEU  46  -4.973   1.430   4.453
  326   3HD1  LEU  46          3HD1      LEU  46  -6.246   0.321   3.866
  327   1HD2  LEU  46          1HD2      LEU  46  -6.633   3.845   5.553
  328   2HD2  LEU  46          2HD2      LEU  46  -6.795   3.104   7.147
  329   3HD2  LEU  46          3HD2      LEU  46  -5.252   2.953   6.257
  330    H    MET  47           H        MET  47  -9.058   2.043   2.263
  331    HA   MET  47           HA       MET  47  -7.032   3.742   0.913
  332   1HB   MET  47          1HB       MET  47  -7.492   1.288   0.407
  333   2HB   MET  47          2HB       MET  47  -9.009   1.754  -0.343
  334   1HG   MET  47          1HG       MET  47  -7.338   1.462  -2.129
  335   2HG   MET  47          2HG       MET  47  -7.777   3.178  -2.044
  336   1HE   MET  47          1HE       MET  47  -5.142   0.993  -2.774
  337   2HE   MET  47          2HE       MET  47  -5.262   2.577  -3.593
  338   3HE   MET  47          3HE       MET  47  -3.771   2.154  -2.704
  339    H    LYS  48           H        LYS  48 -10.461   4.229   1.394
  340    HA   LYS  48           HA       LYS  48 -10.570   6.567  -0.462
  341   1HB   LYS  48          1HB       LYS  48 -12.189   5.547   1.899
  342   2HB   LYS  48          2HB       LYS  48 -12.505   7.167   1.359
  343   1HG   LYS  48          1HG       LYS  48 -13.813   4.894   0.407
  344   2HG   LYS  48          2HG       LYS  48 -13.753   6.403  -0.447
  345   1HD   LYS  48          1HD       LYS  48 -12.145   5.751  -2.014
  346   2HD   LYS  48          2HD       LYS  48 -11.402   4.535  -1.029
  347   1HE   LYS  48          1HE       LYS  48 -13.497   3.030  -1.396
  348   2HE   LYS  48          2HE       LYS  48 -14.202   4.307  -2.371
  349   1HZ   LYS  48          1HZ       LYS  48 -11.460   3.436  -3.154
  350   2HZ   LYS  48          2HZ       LYS  48 -12.607   2.406  -3.517
  351   3HZ   LYS  48          3HZ       LYS  48 -12.657   3.939  -4.143
  352    H    ASP  49           H        ASP  49  -9.605   6.103   2.915
  353    HA   ASP  49           HA       ASP  49  -9.159   9.037   3.487
  354   1HB   ASP  49          1HB       ASP  49  -9.863   7.303   5.255
  355   2HB   ASP  49          2HB       ASP  49  -8.241   6.629   5.182
  356    H    SER  50           H        SER  50  -7.188   6.296   2.464
  357    HA   SER  50           HA       SER  50  -4.645   7.869   2.493
  358   1HB   SER  50          1HB       SER  50  -5.374   4.994   1.662
  359   2HB   SER  50          2HB       SER  50  -3.752   5.628   1.404
  360    HG   SER  50           HG       SER  50  -4.273   6.309   3.850
  361    H    ASP  51           H        ASP  51  -7.135   7.852   0.262
  362    HA   ASP  51           HA       ASP  51  -5.716   7.483  -2.319
  363   1HB   ASP  51          1HB       ASP  51  -8.222   7.102  -1.816
  364   2HB   ASP  51          2HB       ASP  51  -8.440   8.846  -1.831
  365    H    LYS  52           H        LYS  52  -4.081   8.763  -2.811
  366    HA   LYS  52           HA       LYS  52  -4.238  11.780  -2.970
  367   1HB   LYS  52          1HB       LYS  52  -2.431   9.736  -4.369
  368   2HB   LYS  52          2HB       LYS  52  -2.223  11.452  -4.538
  369   1HG   LYS  52          1HG       LYS  52  -0.857   9.864  -2.697
  370   2HG   LYS  52          2HG       LYS  52  -1.033  11.584  -2.548
  371   1HD   LYS  52          1HD       LYS  52  -3.182  11.255  -1.184
  372   2HD   LYS  52          2HD       LYS  52  -2.893   9.548  -1.120
  373   1HE   LYS  52          1HE       LYS  52  -1.653   9.955   0.820
  374   2HE   LYS  52          2HE       LYS  52  -0.400  10.645  -0.211
  375   1HZ   LYS  52          1HZ       LYS  52  -2.546  12.622   0.232
  376   2HZ   LYS  52          2HZ       LYS  52  -1.902  12.106   1.640
  377   3HZ   LYS  52          3HZ       LYS  52  -0.934  12.776   0.580
  378    H    ASN  53           H        ASN  53  -3.381  11.140  -6.005
  379    HA   ASN  53           HA       ASN  53  -5.902  11.739  -7.294
  380   1HB   ASN  53          1HB       ASN  53  -4.661  11.588  -9.399
  381   2HB   ASN  53          2HB       ASN  53  -3.582  12.245  -8.200
  382   1HD2  ASN  53          1HD2      ASN  53  -2.462   8.941 -10.140
  383   2HD2  ASN  53          2HD2      ASN  53  -3.960   9.884 -10.564
  384    H    ASN  54           H        ASN  54  -4.171   8.607  -7.411
  385    HA   ASN  54           HA       ASN  54  -4.917   6.368  -7.937
  386   1HB   ASN  54          1HB       ASN  54  -7.184   7.655  -6.281
  387   2HB   ASN  54          2HB       ASN  54  -7.270   5.982  -6.757
  388   1HD2  ASN  54          1HD2      ASN  54  -5.135   4.982  -4.129
  389   2HD2  ASN  54          2HD2      ASN  54  -6.218   4.501  -5.511
  390    H    ASP  55           H        ASP  55  -5.013   6.278 -10.140
  391    HA   ASP  55           HA       ASP  55  -7.591   6.424 -11.678
  392   1HB   ASP  55          1HB       ASP  55  -6.362   5.181 -13.421
  393   2HB   ASP  55          2HB       ASP  55  -5.370   6.504 -12.824
  394    H    GLY  56           H        GLY  56  -6.244   4.206  -9.341
  395   1HA   GLY  56          1HA       GLY  56  -8.379   2.365  -9.064
  396   2HA   GLY  56          2HA       GLY  56  -7.461   1.665 -10.404
  397    H    ARG  57           H        ARG  57  -4.873   2.611  -9.199
  398    HA   ARG  57           HA       ARG  57  -4.486   0.855  -6.784
  399   1HB   ARG  57          1HB       ARG  57  -2.783  -0.626  -8.084
  400   2HB   ARG  57          2HB       ARG  57  -4.504  -0.968  -8.254
  401   1HG   ARG  57          1HG       ARG  57  -3.752   0.978 -10.330
  402   2HG   ARG  57          2HG       ARG  57  -2.539  -0.301 -10.332
  403   1HD   ARG  57          1HD       ARG  57  -5.423  -1.264 -10.179
  404   2HD   ARG  57          2HD       ARG  57  -4.983  -0.418 -11.662
  405    HE   ARG  57           HE       ARG  57  -2.723  -2.168 -11.154
  406   1HH1  ARG  57          2HH1      ARG  57  -6.023  -2.532 -12.139
  407   2HH1  ARG  57          1HH1      ARG  57  -5.696  -4.223 -12.790
  408   1HH2  ARG  57          1HH2      ARG  57  -2.372  -3.928 -12.014
  409   2HH2  ARG  57          2HH2      ARG  57  -3.686  -4.937 -12.798
  410    H    ILE  58           H        ILE  58  -2.127   0.596  -6.233
  411    HA   ILE  58           HA       ILE  58  -0.793   3.320  -6.451
  412    HB   ILE  58           HB       ILE  58  -0.697   1.180  -4.269
  413   1HG1  ILE  58          1HG1      ILE  58  -1.780   4.080  -4.241
  414   2HG1  ILE  58          2HG1      ILE  58  -2.749   2.633  -4.254
  415   1HG2  ILE  58          1HG2      ILE  58   1.604   2.228  -4.418
  416   2HG2  ILE  58          2HG2      ILE  58   0.893   3.849  -4.291
  417   3HG2  ILE  58          3HG2      ILE  58   0.802   2.710  -2.927
  418   1HD1  ILE  58          1HD1      ILE  58  -1.853   1.917  -1.993
  419   2HD1  ILE  58          2HD1      ILE  58  -0.956   3.454  -1.892
  420   3HD1  ILE  58          3HD1      ILE  58  -2.732   3.467  -1.969
  421    H    ASP  59           H        ASP  59   1.392   3.583  -7.033
  422    HA   ASP  59           HA       ASP  59   3.163   1.083  -7.053
  423   1HB   ASP  59          1HB       ASP  59   4.542   2.187  -8.755
  424   2HB   ASP  59          2HB       ASP  59   2.860   2.222  -9.265
  425    H    PHE  60           H        PHE  60   5.626   2.572  -7.121
  426    HA   PHE  60           HA       PHE  60   6.142   2.496  -4.168
  427   1HB   PHE  60          1HB       PHE  60   7.678   1.673  -6.143
  428   2HB   PHE  60          2HB       PHE  60   8.142   3.330  -6.345
  429    HD1  PHE  60           HD1      PHE  60   8.858   4.542  -3.897
  430    HD2  PHE  60           HD2      PHE  60   9.162   0.365  -4.852
  431    HE1  PHE  60           HE1      PHE  60  10.618   4.270  -2.187
  432    HE2  PHE  60           HE2      PHE  60  10.887   0.095  -3.127
  433    HZ   PHE  60           HZ       PHE  60  11.684   2.059  -1.849
  434    H    ASP  61           H        ASP  61   5.764   5.080  -6.524
  435    HA   ASP  61           HA       ASP  61   6.677   7.451  -5.007
  436   1HB   ASP  61          1HB       ASP  61   6.038   7.985  -7.235
  437   2HB   ASP  61          2HB       ASP  61   4.735   6.814  -7.276
  438    H    GLU  62           H        GLU  62   3.344   6.765  -5.629
  439    HA   GLU  62           HA       GLU  62   1.761   7.612  -3.440
  440   1HB   GLU  62          1HB       GLU  62   1.603   5.011  -5.008
  441   2HB   GLU  62          2HB       GLU  62   0.438   5.380  -3.773
  442   1HG   GLU  62          1HG       GLU  62  -0.344   5.959  -6.136
  443   2HG   GLU  62          2HG       GLU  62  -0.436   7.326  -5.034
  444    H    PHE  63           H        PHE  63   3.988   4.855  -3.290
  445    HA   PHE  63           HA       PHE  63   2.982   3.699  -0.698
  446   1HB   PHE  63          1HB       PHE  63   4.254   2.442  -2.499
  447   2HB   PHE  63          2HB       PHE  63   5.683   3.346  -2.142
  448    HD1  PHE  63           HD1      PHE  63   6.153   3.405   0.705
  449    HD2  PHE  63           HD2      PHE  63   4.264   0.220  -1.488
  450    HE1  PHE  63           HE1      PHE  63   7.060   1.751   2.291
  451    HE2  PHE  63           HE2      PHE  63   5.156  -1.400   0.108
  452    HZ   PHE  63           HZ       PHE  63   6.637  -0.659   1.947
  453    H    LEU  64           H        LEU  64   5.984   5.481  -1.449
  454    HA   LEU  64           HA       LEU  64   6.853   6.336   1.124
  455   1HB   LEU  64          1HB       LEU  64   6.985   7.772  -1.573
  456   2HB   LEU  64          2HB       LEU  64   7.741   8.459  -0.159
  457    HG   LEU  64           HG       LEU  64   8.432   5.651  -1.220
  458   1HD1  LEU  64          1HD1      LEU  64   9.783   8.368  -1.837
  459   2HD1  LEU  64          2HD1      LEU  64  10.487   6.770  -2.209
  460   3HD1  LEU  64          3HD1      LEU  64   8.972   7.257  -2.975
  461   1HD2  LEU  64          1HD2      LEU  64   9.904   7.509   0.790
  462   2HD2  LEU  64          2HD2      LEU  64   9.151   5.927   1.145
  463   3HD2  LEU  64          3HD2      LEU  64  10.580   6.009   0.106
  464    H    LYS  65           H        LYS  65   4.276   7.899  -0.766
  465    HA   LYS  65           HA       LYS  65   3.890  10.146   1.167
  466   1HB   LYS  65          1HB       LYS  65   2.579   9.063  -1.374
  467   2HB   LYS  65          2HB       LYS  65   1.848  10.427  -0.550
  468   1HG   LYS  65          1HG       LYS  65   4.737  10.940  -1.029
  469   2HG   LYS  65          2HG       LYS  65   3.970  10.358  -2.518
  470   1HD   LYS  65          1HD       LYS  65   2.011  12.016  -1.958
  471   2HD   LYS  65          2HD       LYS  65   3.114  12.800  -0.822
  472   1HE   LYS  65          1HE       LYS  65   3.989  12.399  -3.755
  473   2HE   LYS  65          2HE       LYS  65   2.742  13.610  -3.404
  474   1HZ   LYS  65          1HZ       LYS  65   4.476  14.341  -1.474
  475   2HZ   LYS  65          2HZ       LYS  65   5.606  13.667  -2.468
  476   3HZ   LYS  65          3HZ       LYS  65   4.663  14.896  -2.971
  477    H    MET  66           H        MET  66   2.045   7.145   0.459
  478    HA   MET  66           HA       MET  66   0.036   7.435   2.513
  479   1HB   MET  66          1HB       MET  66   0.023   5.826   0.538
  480   2HB   MET  66          2HB       MET  66   1.191   4.823   1.371
  481   1HG   MET  66          1HG       MET  66  -0.372   4.215   3.156
  482   2HG   MET  66          2HG       MET  66  -1.568   5.411   2.622
  483   1HE   MET  66          1HE       MET  66   0.803   3.051   0.495
  484   2HE   MET  66          2HE       MET  66   0.291   2.057   1.894
  485   3HE   MET  66          3HE       MET  66  -0.265   1.635   0.248
  486    H    MET  67           H        MET  67   3.315   6.220   2.853
  487    HA   MET  67           HA       MET  67   2.812   5.062   5.636
  488   1HB   MET  67          1HB       MET  67   5.016   4.019   5.445
  489   2HB   MET  67          2HB       MET  67   4.100   3.694   3.986
  490   1HG   MET  67          1HG       MET  67   6.017   4.300   2.879
  491   2HG   MET  67          2HG       MET  67   5.449   5.963   3.124
  492   1HE   MET  67          1HE       MET  67   6.943   3.053   5.304
  493   2HE   MET  67          2HE       MET  67   8.154   3.249   4.002
  494   3HE   MET  67          3HE       MET  67   8.580   3.667   5.693
  495    H    GLU  68           H        GLU  68   4.821   7.598   4.070
  496    HA   GLU  68           HA       GLU  68   5.661   8.794   6.619
  497   1HB   GLU  68          1HB       GLU  68   5.682  10.064   3.844
  498   2HB   GLU  68          2HB       GLU  68   6.507  10.690   5.239
  499   1HG   GLU  68          1HG       GLU  68   7.949   8.521   5.284
  500   2HG   GLU  68          2HG       GLU  68   7.177   8.030   3.788
  501    H    GLY  69           H        GLY  69   2.809   9.585   4.580
  502   1HA   GLY  69          1HA       GLY  69   2.631  12.460   5.113
  503   2HA   GLY  69          2HA       GLY  69   1.266  11.436   4.650
  504    H    VAL  70           H        VAL  70   0.163  10.212   6.504
  505    HA   VAL  70           HA       VAL  70  -0.291  11.470   9.006
  506    HB   VAL  70           HB       VAL  70  -0.522   8.629   8.067
  507   1HG1  VAL  70          1HG1      VAL  70  -0.620   9.291  11.098
  508   2HG1  VAL  70          2HG1      VAL  70  -1.215   7.781  10.362
  509   3HG1  VAL  70          3HG1      VAL  70   0.507   8.166  10.302
  510   1HG2  VAL  70          1HG2      VAL  70  -2.456  10.246   7.869
  511   2HG2  VAL  70          2HG2      VAL  70  -2.876   8.882   8.893
  512   3HG2  VAL  70          3HG2      VAL  70  -2.488  10.464   9.633
  513    H    GLN  71           H        GLN  71   1.365  12.354  10.206
  514    HA   GLN  71           HA       GLN  71   3.629  10.750  11.249
  515   1HB   GLN  71          1HB       GLN  71   2.565  13.249  12.631
  516   2HB   GLN  71          2HB       GLN  71   4.224  12.668  12.501
  517   1HG   GLN  71          1HG       GLN  71   3.595  13.038   9.797
  518   2HG   GLN  71          2HG       GLN  71   2.564  14.270  10.500
  519   1HE2  GLN  71          1HE2      GLN  71   6.513  14.959  10.157
  520   2HE2  GLN  71          2HE2      GLN  71   5.730  13.362   9.652
  521   1HN   NH2  72          1HN       NH2  72   3.970   9.902  13.448
  522   2HN   NH2  72          2HN       NH2  72   2.578   9.309  14.394
   
  No H/Q in entry =         522
  Start of MODEL   16
    1   1H    ACE   1          1HH3      ACE   1  20.248   8.477   5.824
    2   2H    ACE   1          2HH3      ACE   1  21.817   9.323   5.579
    3   3H    ACE   1          3HH3      ACE   1  20.400  10.203   6.218
    4    H    LYS   2           H        LYS   2  21.303   8.263   3.358
    5    HA   LYS   2           HA       LYS   2  19.024   9.424   1.801
    6   1HB   LYS   2          1HB       LYS   2  20.901   9.635  -0.209
    7   2HB   LYS   2          2HB       LYS   2  20.203  10.993   0.646
    8   1HG   LYS   2          1HG       LYS   2  22.356  10.467   2.345
    9   2HG   LYS   2          2HG       LYS   2  22.976   9.678   0.918
   10   1HD   LYS   2          1HD       LYS   2  23.803  11.740   0.323
   11   2HD   LYS   2          2HD       LYS   2  22.159  12.156  -0.167
   12   1HE   LYS   2          1HE       LYS   2  22.362  13.880   1.333
   13   2HE   LYS   2          2HE       LYS   2  21.913  12.682   2.560
   14   1HZ   LYS   2          1HZ       LYS   2  24.797  13.042   1.706
   15   2HZ   LYS   2          2HZ       LYS   2  24.258  14.014   2.809
   16   3HZ   LYS   2          3HZ       LYS   2  24.339  12.381   3.108
   17    H    SER   3           H        SER   3  18.578   7.136   2.370
   18    HA   SER   3           HA       SER   3  19.509   5.212   0.167
   19   1HB   SER   3          1HB       SER   3  20.813   4.526   1.950
   20   2HB   SER   3          2HB       SER   3  19.670   4.995   3.186
   21    HG   SER   3           HG       SER   3  19.367   2.908   3.213
   22    H    GLU   4           H        GLU   4  17.753   5.141  -1.074
   23    HA   GLU   4           HA       GLU   4  14.977   4.457  -0.139
   24   1HB   GLU   4          1HB       GLU   4  16.160   4.431  -2.932
   25   2HB   GLU   4          2HB       GLU   4  14.589   3.787  -2.520
   26   1HG   GLU   4          1HG       GLU   4  14.368   6.419  -1.517
   27   2HG   GLU   4          2HG       GLU   4  15.435   6.661  -2.895
   28    H    GLU   5           H        GLU   5  17.886   2.736  -0.311
   29    HA   GLU   5           HA       GLU   5  16.985   0.370  -1.687
   30   1HB   GLU   5          1HB       GLU   5  19.256   0.997  -1.830
   31   2HB   GLU   5          2HB       GLU   5  19.503   0.976  -0.110
   32   1HG   GLU   5          1HG       GLU   5  19.008  -1.701  -0.380
   33   2HG   GLU   5          2HG       GLU   5  19.438  -1.400  -2.054
   34    H    GLU   6           H        GLU   6  17.387   0.725   1.860
   35    HA   GLU   6           HA       GLU   6  16.244  -1.767   2.693
   36   1HB   GLU   6          1HB       GLU   6  16.907  -0.811   4.567
   37   2HB   GLU   6          2HB       GLU   6  16.831   0.797   3.914
   38   1HG   GLU   6          1HG       GLU   6  14.517   1.127   4.691
   39   2HG   GLU   6          2HG       GLU   6  14.275  -0.585   4.986
   40    H    LEU   7           H        LEU   7  14.425   1.118   1.675
   41    HA   LEU   7           HA       LEU   7  11.726  -0.067   2.392
   42   1HB   LEU   7          1HB       LEU   7  12.491   2.583   1.047
   43   2HB   LEU   7          2HB       LEU   7  10.849   2.118   1.428
   44    HG   LEU   7           HG       LEU   7  12.977   3.215   3.216
   45   1HD1  LEU   7          1HD1      LEU   7  10.918   4.476   2.615
   46   2HD1  LEU   7          2HD1      LEU   7   9.885   3.216   3.337
   47   3HD1  LEU   7          3HD1      LEU   7  10.974   4.188   4.360
   48   1HD2  LEU   7          1HD2      LEU   7  11.084   1.001   4.304
   49   2HD2  LEU   7          2HD2      LEU   7  12.869   0.967   4.288
   50   3HD2  LEU   7          3HD2      LEU   7  12.025   2.133   5.311
   51    H    ALA   8           H        ALA   8  13.667   0.365  -0.568
   52    HA   ALA   8           HA       ALA   8  11.797  -0.905  -2.386
   53   1HB   ALA   8          1HB       ALA   8  14.892  -0.879  -2.356
   54   2HB   ALA   8          2HB       ALA   8  13.887  -1.331  -3.747
   55   3HB   ALA   8          3HB       ALA   8  13.818   0.319  -3.117
   56    H    ASN   9           H        ASN   9  14.632  -2.709  -0.994
   57    HA   ASN   9           HA       ASN   9  13.842  -5.343  -1.040
   58   1HB   ASN   9          1HB       ASN   9  14.926  -3.875   1.464
   59   2HB   ASN   9          2HB       ASN   9  14.860  -5.610   1.325
   60   1HD2  ASN   9          1HD2      ASN   9  18.177  -5.306   0.113
   61   2HD2  ASN   9          2HD2      ASN   9  17.077  -5.869   1.449
   62    H    ALA  10           H        ALA  10  12.478  -3.146   1.433
   63    HA   ALA  10           HA       ALA  10  10.598  -5.131   2.592
   64   1HB   ALA  10          1HB       ALA  10  11.606  -3.218   3.850
   65   2HB   ALA  10          2HB       ALA  10  10.695  -2.047   2.862
   66   3HB   ALA  10          3HB       ALA  10   9.834  -3.169   3.938
   67    H    PHE  11           H        PHE  11  10.080  -2.430   0.304
   68    HA   PHE  11           HA       PHE  11   7.215  -2.709  -0.042
   69   1HB   PHE  11          1HB       PHE  11   8.538  -0.710  -0.691
   70   2HB   PHE  11          2HB       PHE  11   9.342  -1.591  -1.945
   71    HD1  PHE  11           HD1      PHE  11   5.840  -0.445  -1.018
   72    HD2  PHE  11           HD2      PHE  11   8.538  -1.585  -4.171
   73    HE1  PHE  11           HE1      PHE  11   4.166   0.205  -2.703
   74    HE2  PHE  11           HE2      PHE  11   6.854  -0.921  -5.837
   75    HZ   PHE  11           HZ       PHE  11   4.705   0.040  -5.114
   76    H    ARG  12           H        ARG  12   9.794  -4.246  -2.022
   77    HA   ARG  12           HA       ARG  12   7.915  -5.945  -3.503
   78   1HB   ARG  12          1HB       ARG  12   9.759  -6.855  -4.590
   79   2HB   ARG  12          2HB       ARG  12  10.370  -5.277  -4.106
   80   1HG   ARG  12          1HG       ARG  12  11.278  -6.582  -1.935
   81   2HG   ARG  12          2HG       ARG  12  11.028  -8.041  -2.902
   82   1HD   ARG  12          1HD       ARG  12  12.940  -5.695  -3.472
   83   2HD   ARG  12          2HD       ARG  12  13.336  -7.425  -3.276
   84    HE   ARG  12           HE       ARG  12  12.367  -6.147  -5.790
   85   1HH1  ARG  12          2HH1      ARG  12  12.392  -9.164  -4.084
   86   2HH1  ARG  12          1HH1      ARG  12  12.132 -10.126  -5.618
   87   1HH2  ARG  12          1HH2      ARG  12  12.049  -7.237  -7.487
   88   2HH2  ARG  12          2HH2      ARG  12  11.948  -9.058  -7.461
   89    H    ILE  13           H        ILE  13   9.581  -6.459  -0.427
   90    HA   ILE  13           HA       ILE  13   9.251  -9.420  -0.243
   91    HB   ILE  13           HB       ILE  13   9.923  -7.266   1.816
   92   1HG1  ILE  13          1HG1      ILE  13  11.704  -8.278   0.088
   93   2HG1  ILE  13          2HG1      ILE  13  12.144  -7.957   1.743
   94   1HG2  ILE  13          1HG2      ILE  13   8.595  -9.013   3.067
   95   2HG2  ILE  13          2HG2      ILE  13   9.634 -10.303   2.418
   96   3HG2  ILE  13          3HG2      ILE  13  10.280  -9.096   3.547
   97   1HD1  ILE  13          1HD1      ILE  13  11.830 -10.366   2.399
   98   2HD1  ILE  13          2HD1      ILE  13  11.439 -10.769   0.709
   99   3HD1  ILE  13          3HD1      ILE  13  13.049 -10.148   1.123
  100    H    PHE  14           H        PHE  14   7.284  -6.628   0.550
  101    HA   PHE  14           HA       PHE  14   5.047  -8.073   1.979
  102   1HB   PHE  14          1HB       PHE  14   5.415  -5.279   0.760
  103   2HB   PHE  14          2HB       PHE  14   3.811  -5.847   1.091
  104    HD1  PHE  14           HD1      PHE  14   3.054  -6.315   3.451
  105    HD2  PHE  14           HD2      PHE  14   6.903  -4.587   2.645
  106    HE1  PHE  14           HE1      PHE  14   3.229  -5.596   5.801
  107    HE2  PHE  14           HE2      PHE  14   7.082  -3.891   5.000
  108    HZ   PHE  14           HZ       PHE  14   5.258  -4.402   6.586
  109    H    ASP  15           H        ASP  15   5.730  -6.966  -1.342
  110    HA   ASP  15           HA       ASP  15   3.025  -7.118  -2.279
  111   1HB   ASP  15          1HB       ASP  15   4.761  -5.671  -3.270
  112   2HB   ASP  15          2HB       ASP  15   5.674  -7.053  -3.857
  113    H    LYS  16           H        LYS  16   1.694  -8.678  -3.045
  114    HA   LYS  16           HA       LYS  16   2.416 -11.471  -2.323
  115   1HB   LYS  16          1HB       LYS  16  -0.117 -10.354  -3.671
  116   2HB   LYS  16          2HB       LYS  16   0.077 -12.036  -3.262
  117   1HG   LYS  16          1HG       LYS  16   0.579 -10.726  -0.781
  118   2HG   LYS  16          2HG       LYS  16  -0.568  -9.638  -1.553
  119   1HD   LYS  16          1HD       LYS  16  -2.165 -10.996  -0.608
  120   2HD   LYS  16          2HD       LYS  16  -1.878 -11.960  -2.055
  121   1HE   LYS  16          1HE       LYS  16  -0.358 -12.559   0.541
  122   2HE   LYS  16          2HE       LYS  16  -1.921 -13.312   0.167
  123   1HZ   LYS  16          1HZ       LYS  16   0.033 -13.282  -2.072
  124   2HZ   LYS  16          2HZ       LYS  16   0.479 -14.289  -0.852
  125   3HZ   LYS  16          3HZ       LYS  16  -0.955 -14.504  -1.645
  126    H    ASN  17           H        ASN  17   2.113  -9.612  -5.303
  127    HA   ASN  17           HA       ASN  17   2.562 -12.119  -6.990
  128   1HB   ASN  17          1HB       ASN  17   0.546  -9.840  -7.268
  129   2HB   ASN  17          2HB       ASN  17   0.948 -10.827  -8.647
  130   1HD2  ASN  17          1HD2      ASN  17  -0.728 -13.434  -6.215
  131   2HD2  ASN  17          2HD2      ASN  17   1.033 -13.159  -6.417
  132    H    ALA  18           H        ALA  18   3.712  -8.929  -6.526
  133    HA   ALA  18           HA       ALA  18   5.606  -7.788  -7.479
  134   1HB   ALA  18          1HB       ALA  18   6.503 -10.144  -7.399
  135   2HB   ALA  18          2HB       ALA  18   5.858 -10.440  -9.029
  136   3HB   ALA  18          3HB       ALA  18   7.147  -9.245  -8.801
  137    H    ASP  19           H        ASP  19   2.992  -7.316  -8.826
  138    HA   ASP  19           HA       ASP  19   3.627  -6.430 -11.548
  139   1HB   ASP  19          1HB       ASP  19   1.359  -6.474 -10.039
  140   2HB   ASP  19          2HB       ASP  19   1.768  -4.784  -9.783
  141    H    GLY  20           H        GLY  20   5.381  -5.572  -8.858
  142   1HA   GLY  20          1HA       GLY  20   6.580  -3.609  -8.078
  143   2HA   GLY  20          2HA       GLY  20   6.267  -2.884  -9.659
  144    H    TYR  21           H        TYR  21   3.248  -3.560  -8.541
  145    HA   TYR  21           HA       TYR  21   2.915  -0.926  -6.996
  146   1HB   TYR  21          1HB       TYR  21   0.730  -2.590  -8.400
  147   2HB   TYR  21          2HB       TYR  21   0.503  -1.061  -7.603
  148    HD1  TYR  21           HD1      TYR  21   1.873  -2.689 -10.641
  149    HD2  TYR  21           HD2      TYR  21   1.246   1.091  -8.688
  150    HE1  TYR  21           HE1      TYR  21   2.222  -1.516 -12.779
  151    HE2  TYR  21           HE2      TYR  21   1.610   2.242 -10.846
  152    HH   TYR  21           HH       TYR  21   1.360   1.577 -13.371
  153    H    ILE  22           H        ILE  22   1.366  -0.884  -5.204
  154    HA   ILE  22           HA       ILE  22   0.617  -3.589  -3.962
  155    HB   ILE  22           HB       ILE  22   0.961  -0.848  -2.645
  156   1HG1  ILE  22          1HG1      ILE  22   2.531  -3.468  -2.474
  157   2HG1  ILE  22          2HG1      ILE  22   3.124  -1.840  -2.663
  158   1HG2  ILE  22          1HG2      ILE  22  -1.090  -1.943  -1.635
  159   2HG2  ILE  22          2HG2      ILE  22  -0.159  -3.413  -1.290
  160   3HG2  ILE  22          3HG2      ILE  22   0.210  -1.882  -0.456
  161   1HD1  ILE  22          1HD1      ILE  22   2.489  -1.272  -0.262
  162   2HD1  ILE  22          2HD1      ILE  22   2.074  -2.987  -0.013
  163   3HD1  ILE  22          3HD1      ILE  22   3.740  -2.531  -0.427
  164    H    ASP  23           H        ASP  23  -1.413  -4.215  -3.994
  165    HA   ASP  23           HA       ASP  23  -3.636  -2.262  -4.709
  166   1HB   ASP  23          1HB       ASP  23  -4.845  -4.647  -5.099
  167   2HB   ASP  23          2HB       ASP  23  -3.762  -3.952  -6.296
  168    H    ILE  24           H        ILE  24  -5.875  -3.085  -3.861
  169    HA   ILE  24           HA       ILE  24  -5.976  -2.846  -0.858
  170    HB   ILE  24           HB       ILE  24  -7.763  -2.023  -2.664
  171   1HG1  ILE  24          1HG1      ILE  24  -9.658  -2.308  -0.830
  172   2HG1  ILE  24          2HG1      ILE  24  -8.437  -3.071   0.151
  173   1HG2  ILE  24          1HG2      ILE  24  -8.375  -4.311  -3.574
  174   2HG2  ILE  24          2HG2      ILE  24  -8.907  -4.825  -1.961
  175   3HG2  ILE  24          3HG2      ILE  24  -9.778  -3.548  -2.847
  176   1HD1  ILE  24          1HD1      ILE  24  -6.957  -1.004   0.009
  177   2HD1  ILE  24          2HD1      ILE  24  -8.293  -0.156  -0.808
  178   3HD1  ILE  24          3HD1      ILE  24  -8.510  -0.752   0.851
  179    H    GLU  25           H        GLU  25  -5.963  -5.412  -3.231
  180    HA   GLU  25           HA       GLU  25  -7.095  -7.501  -1.398
  181   1HB   GLU  25          1HB       GLU  25  -6.860  -7.175  -4.226
  182   2HB   GLU  25          2HB       GLU  25  -5.978  -8.623  -3.851
  183   1HG   GLU  25          1HG       GLU  25  -7.952  -9.794  -3.072
  184   2HG   GLU  25          2HG       GLU  25  -8.841  -8.318  -2.747
  185    H    GLU  26           H        GLU  26  -3.927  -6.401  -2.165
  186    HA   GLU  26           HA       GLU  26  -2.448  -8.605  -0.765
  187   1HB   GLU  26          1HB       GLU  26  -0.500  -7.408  -1.032
  188   2HB   GLU  26          2HB       GLU  26  -1.408  -7.037  -2.466
  189   1HG   GLU  26          1HG       GLU  26  -0.872  -4.827  -2.074
  190   2HG   GLU  26          2HG       GLU  26  -2.060  -4.830  -0.784
  191    H    LEU  27           H        LEU  27  -3.770  -5.465   0.216
  192    HA   LEU  27           HA       LEU  27  -2.285  -5.213   2.682
  193   1HB   LEU  27          1HB       LEU  27  -3.274  -3.322   1.459
  194   2HB   LEU  27          2HB       LEU  27  -4.897  -3.861   1.804
  195    HG   LEU  27           HG       LEU  27  -3.300  -3.404   4.301
  196   1HD1  LEU  27          1HD1      LEU  27  -2.255  -1.651   2.862
  197   2HD1  LEU  27          2HD1      LEU  27  -3.860  -0.980   2.452
  198   3HD1  LEU  27          3HD1      LEU  27  -3.246  -0.934   4.130
  199   1HD2  LEU  27          1HD2      LEU  27  -6.019  -2.245   3.333
  200   2HD2  LEU  27          2HD2      LEU  27  -5.798  -3.698   4.354
  201   3HD2  LEU  27          3HD2      LEU  27  -5.333  -2.110   4.976
  202    H    GLY  28           H        GLY  28  -5.860  -5.841   2.662
  203   1HA   GLY  28          1HA       GLY  28  -6.542  -6.959   5.019
  204   2HA   GLY  28          2HA       GLY  28  -6.893  -7.924   3.580
  205    H    GLU  29           H        GLU  29  -4.553  -9.005   2.842
  206    HA   GLU  29           HA       GLU  29  -4.158 -11.231   4.770
  207   1HB   GLU  29          1HB       GLU  29  -4.021 -11.200   2.144
  208   2HB   GLU  29          2HB       GLU  29  -2.362 -10.738   2.367
  209   1HG   GLU  29          1HG       GLU  29  -2.038 -13.050   2.234
  210   2HG   GLU  29          2HG       GLU  29  -2.315 -12.986   3.965
  211    H    ILE  30           H        ILE  30  -2.312  -8.316   4.049
  212    HA   ILE  30           HA       ILE  30   0.204  -8.972   5.507
  213    HB   ILE  30           HB       ILE  30  -1.048  -6.279   4.765
  214   1HG1  ILE  30          1HG1      ILE  30  -0.192  -6.866   2.697
  215   2HG1  ILE  30          2HG1      ILE  30   1.288  -6.249   3.380
  216   1HG2  ILE  30          1HG2      ILE  30   0.370  -5.948   6.824
  217   2HG2  ILE  30          2HG2      ILE  30   1.749  -6.749   6.027
  218   3HG2  ILE  30          3HG2      ILE  30   1.126  -5.185   5.429
  219   1HD1  ILE  30          1HD1      ILE  30   0.653  -9.275   3.303
  220   2HD1  ILE  30          2HD1      ILE  30   1.752  -8.373   2.238
  221   3HD1  ILE  30          3HD1      ILE  30   2.122  -8.514   3.968
  222    H    LEU  31           H        LEU  31  -2.700  -7.113   6.449
  223    HA   LEU  31           HA       LEU  31  -2.187  -7.001   9.398
  224   1HB   LEU  31          1HB       LEU  31  -5.007  -7.131   8.338
  225   2HB   LEU  31          2HB       LEU  31  -4.357  -6.163   9.640
  226    HG   LEU  31           HG       LEU  31  -3.779  -5.566   6.676
  227   1HD1  LEU  31          1HD1      LEU  31  -5.969  -4.404   8.525
  228   2HD1  LEU  31          2HD1      LEU  31  -5.520  -3.758   6.923
  229   3HD1  LEU  31          3HD1      LEU  31  -6.195  -5.386   7.050
  230   1HD2  LEU  31          1HD2      LEU  31  -3.391  -3.859   9.238
  231   2HD2  LEU  31          2HD2      LEU  31  -2.108  -4.479   8.162
  232   3HD2  LEU  31          3HD2      LEU  31  -3.227  -3.246   7.571
  233    H    ARG  32           H        ARG  32  -3.969  -9.287   7.325
  234    HA   ARG  32           HA       ARG  32  -4.783 -11.031   9.571
  235   1HB   ARG  32          1HB       ARG  32  -6.030 -10.434   7.446
  236   2HB   ARG  32          2HB       ARG  32  -4.921 -11.436   6.513
  237   1HG   ARG  32          1HG       ARG  32  -6.337 -13.207   6.914
  238   2HG   ARG  32          2HG       ARG  32  -5.861 -13.140   8.621
  239   1HD   ARG  32          1HD       ARG  32  -7.716 -11.637   9.206
  240   2HD   ARG  32          2HD       ARG  32  -8.074 -11.287   7.500
  241    HE   ARG  32           HE       ARG  32  -8.261 -14.211   8.297
  242   1HH1  ARG  32          2HH1      ARG  32 -10.037 -11.295   7.650
  243   2HH1  ARG  32          1HH1      ARG  32 -11.605 -12.209   7.442
  244   1HH2  ARG  32          1HH2      ARG  32 -10.046 -15.205   8.055
  245   2HH2  ARG  32          2HH2      ARG  32 -11.588 -14.313   7.668
  246    H    ALA  33           H        ALA  33  -3.159 -12.314   6.684
  247    HA   ALA  33           HA       ALA  33  -2.248 -14.728   7.577
  248   1HB   ALA  33          1HB       ALA  33  -1.968 -13.888   5.249
  249   2HB   ALA  33          2HB       ALA  33  -0.601 -12.855   5.750
  250   3HB   ALA  33          3HB       ALA  33  -0.463 -14.625   5.824
  251    H    THR  34           H        THR  34  -0.887 -15.659   8.960
  252    HA   THR  34           HA       THR  34   1.051 -14.191  10.668
  253    HB   THR  34           HB       THR  34   1.317 -16.140  11.883
  254    HG1  THR  34           HG1      THR  34   0.765 -17.645   9.535
  255   1HG2  THR  34          2HG2      THR  34  -1.201 -15.651  11.597
  256   2HG2  THR  34          3HG2      THR  34  -1.250 -16.881  10.306
  257   3HG2  THR  34          1HG2      THR  34  -0.856 -17.360  11.966
  258    H    GLY  35           H        GLY  35   1.386 -15.956   7.577
  259   1HA   GLY  35          1HA       GLY  35   3.012 -15.462   5.847
  260   2HA   GLY  35          2HA       GLY  35   3.313 -13.935   6.686
  261   1HN   NH2  36          1HN       NH2  36   5.260 -13.587   7.749
  262   2HN   NH2  36          2HN       NH2  36   6.498 -14.848   8.000
  263   1H    ACE  37          1HH3      ACE  37 -20.546  -5.068  12.793
  264   2H    ACE  37          2HH3      ACE  37 -20.130  -5.958  11.289
  265   3H    ACE  37          3HH3      ACE  37 -19.720  -6.647  12.882
  266    H    VAL  38           H        VAL  38 -19.115  -3.737  10.914
  267    HA   VAL  38           HA       VAL  38 -17.375  -2.059  10.974
  268    HB   VAL  38           HB       VAL  38 -17.429  -3.027  13.879
  269   1HG1  VAL  38          1HG1      VAL  38 -15.959  -0.540  12.737
  270   2HG1  VAL  38          2HG1      VAL  38 -16.275  -0.806  14.467
  271   3HG1  VAL  38          3HG1      VAL  38 -15.219  -1.911  13.582
  272   1HG2  VAL  38          1HG2      VAL  38 -19.551  -1.883  13.100
  273   2HG2  VAL  38          2HG2      VAL  38 -18.694  -0.876  14.287
  274   3HG2  VAL  38          3HG2      VAL  38 -18.602  -0.483  12.552
  275    H    THR  39           H        THR  39 -16.007  -3.328   9.460
  276    HA   THR  39           HA       THR  39 -13.614  -4.715  10.540
  277    HB   THR  39           HB       THR  39 -14.421  -6.947   9.176
  278    HG1  THR  39           HG1      THR  39 -16.683  -6.190  10.698
  279   1HG2  THR  39          2HG2      THR  39 -14.981  -6.333  12.163
  280   2HG2  THR  39          3HG2      THR  39 -14.864  -7.962  11.451
  281   3HG2  THR  39          1HG2      THR  39 -13.438  -6.903  11.487
  282    H    GLU  40           H        GLU  40 -15.358  -5.620   7.574
  283    HA   GLU  40           HA       GLU  40 -12.928  -5.112   5.896
  284   1HB   GLU  40          1HB       GLU  40 -15.545  -5.802   4.597
  285   2HB   GLU  40          2HB       GLU  40 -13.931  -6.293   4.181
  286   1HG   GLU  40          1HG       GLU  40 -15.361  -7.396   6.699
  287   2HG   GLU  40          2HG       GLU  40 -15.543  -8.140   5.121
  288    H    GLU  41           H        GLU  41 -16.260  -3.800   5.645
  289    HA   GLU  41           HA       GLU  41 -15.641  -1.671   3.849
  290   1HB   GLU  41          1HB       GLU  41 -17.835  -0.602   4.794
  291   2HB   GLU  41          2HB       GLU  41 -17.864  -2.054   3.842
  292   1HG   GLU  41          1HG       GLU  41 -18.699  -3.372   5.607
  293   2HG   GLU  41          2HG       GLU  41 -17.764  -2.548   6.841
  294    H    ASP  42           H        ASP  42 -15.133  -1.590   7.323
  295    HA   ASP  42           HA       ASP  42 -14.391   1.232   7.479
  296   1HB   ASP  42          1HB       ASP  42 -13.804  -1.226   9.221
  297   2HB   ASP  42          2HB       ASP  42 -13.116   0.339   9.631
  298    H    ILE  43           H        ILE  43 -12.457  -1.582   6.597
  299    HA   ILE  43           HA       ILE  43  -9.810  -0.174   6.366
  300    HB   ILE  43           HB       ILE  43 -10.807  -2.847   5.266
  301   1HG1  ILE  43          1HG1      ILE  43  -8.334  -2.761   6.993
  302   2HG1  ILE  43          2HG1      ILE  43  -9.784  -2.256   7.817
  303   1HG2  ILE  43          1HG2      ILE  43  -9.175  -1.937   3.568
  304   2HG2  ILE  43          2HG2      ILE  43  -7.979  -1.631   4.842
  305   3HG2  ILE  43          3HG2      ILE  43  -8.451  -3.295   4.418
  306   1HD1  ILE  43          1HD1      ILE  43 -10.973  -4.406   7.208
  307   2HD1  ILE  43          2HD1      ILE  43  -9.459  -5.016   6.490
  308   3HD1  ILE  43          3HD1      ILE  43  -9.533  -4.635   8.224
  309    H    GLU  44           H        GLU  44 -12.566  -0.810   4.228
  310    HA   GLU  44           HA       GLU  44 -11.312   0.296   1.741
  311   1HB   GLU  44          1HB       GLU  44 -12.926  -0.807   0.745
  312   2HB   GLU  44          2HB       GLU  44 -13.562  -1.308   2.282
  313   1HG   GLU  44          1HG       GLU  44 -15.485  -0.050   2.001
  314   2HG   GLU  44          2HG       GLU  44 -14.596   1.410   1.609
  315    H    ASP  45           H        ASP  45 -13.278   1.589   4.345
  316    HA   ASP  45           HA       ASP  45 -13.584   4.312   3.112
  317   1HB   ASP  45          1HB       ASP  45 -14.411   3.038   5.776
  318   2HB   ASP  45          2HB       ASP  45 -14.531   4.779   5.560
  319    H    LEU  46           H        LEU  46 -11.556   2.923   5.672
  320    HA   LEU  46           HA       LEU  46  -9.824   5.250   6.277
  321   1HB   LEU  46          1HB       LEU  46  -9.844   3.105   7.536
  322   2HB   LEU  46          2HB       LEU  46  -9.163   2.246   6.175
  323    HG   LEU  46           HG       LEU  46  -7.069   3.838   6.394
  324   1HD1  LEU  46          1HD1      LEU  46  -8.289   5.477   7.918
  325   2HD1  LEU  46          2HD1      LEU  46  -8.229   4.269   9.210
  326   3HD1  LEU  46          3HD1      LEU  46  -6.707   4.941   8.555
  327   1HD2  LEU  46          1HD2      LEU  46  -7.362   1.326   7.245
  328   2HD2  LEU  46          2HD2      LEU  46  -5.962   2.273   7.828
  329   3HD2  LEU  46          3HD2      LEU  46  -7.408   2.046   8.856
  330    H    MET  47           H        MET  47  -9.284   2.751   3.780
  331    HA   MET  47           HA       MET  47  -7.022   4.090   2.536
  332   1HB   MET  47          1HB       MET  47  -7.204   1.758   2.144
  333   2HB   MET  47          2HB       MET  47  -8.884   1.851   1.645
  334   1HG   MET  47          1HG       MET  47  -7.824   1.502  -0.440
  335   2HG   MET  47          2HG       MET  47  -8.000   3.267  -0.434
  336   1HE   MET  47          1HE       MET  47  -5.854   0.449  -1.132
  337   2HE   MET  47          2HE       MET  47  -5.941   1.793  -2.307
  338   3HE   MET  47          3HE       MET  47  -4.365   1.344  -1.594
  339    H    LYS  48           H        LYS  48 -10.476   4.422   1.917
  340    HA   LYS  48           HA       LYS  48 -10.273   6.021  -0.595
  341   1HB   LYS  48          1HB       LYS  48 -12.271   4.913  -0.436
  342   2HB   LYS  48          2HB       LYS  48 -12.451   5.076   1.284
  343   1HG   LYS  48          1HG       LYS  48 -12.774   7.776   0.368
  344   2HG   LYS  48          2HG       LYS  48 -13.376   6.866  -0.981
  345   1HD   LYS  48          1HD       LYS  48 -14.871   5.521   0.692
  346   2HD   LYS  48          2HD       LYS  48 -14.536   6.727   1.889
  347   1HE   LYS  48          1HE       LYS  48 -15.503   7.823  -0.802
  348   2HE   LYS  48          2HE       LYS  48 -16.647   6.785   0.032
  349   1HZ   LYS  48          1HZ       LYS  48 -15.792   8.438   2.115
  350   2HZ   LYS  48          2HZ       LYS  48 -15.788   9.458   0.841
  351   3HZ   LYS  48          3HZ       LYS  48 -17.150   8.741   1.216
  352    H    ASP  49           H        ASP  49 -10.171   6.767   2.816
  353    HA   ASP  49           HA       ASP  49  -9.965   9.763   2.475
  354   1HB   ASP  49          1HB       ASP  49 -10.615   8.567   4.672
  355   2HB   ASP  49          2HB       ASP  49  -8.934   8.082   4.845
  356    H    SER  50           H        SER  50  -7.631   7.036   2.490
  357    HA   SER  50           HA       SER  50  -5.288   8.827   3.078
  358   1HB   SER  50          1HB       SER  50  -5.701   5.823   2.676
  359   2HB   SER  50          2HB       SER  50  -4.069   6.465   2.521
  360    HG   SER  50           HG       SER  50  -4.336   5.953   4.625
  361    H    ASP  51           H        ASP  51  -6.781   7.448   0.240
  362    HA   ASP  51           HA       ASP  51  -4.360   7.306  -1.415
  363   1HB   ASP  51          1HB       ASP  51  -6.413   5.767  -1.486
  364   2HB   ASP  51          2HB       ASP  51  -7.295   7.032  -2.330
  365    H    LYS  52           H        LYS  52  -6.930   8.670  -3.289
  366    HA   LYS  52           HA       LYS  52  -5.612  11.290  -3.724
  367   1HB   LYS  52          1HB       LYS  52  -5.084  10.402  -6.266
  368   2HB   LYS  52          2HB       LYS  52  -3.879  10.664  -5.040
  369   1HG   LYS  52          1HG       LYS  52  -3.235   8.449  -5.382
  370   2HG   LYS  52          2HG       LYS  52  -4.676   7.968  -4.547
  371   1HD   LYS  52          1HD       LYS  52  -4.979   6.745  -6.471
  372   2HD   LYS  52          2HD       LYS  52  -5.967   8.109  -6.874
  373   1HE   LYS  52          1HE       LYS  52  -3.748   9.051  -8.124
  374   2HE   LYS  52          2HE       LYS  52  -3.123   7.417  -7.904
  375   1HZ   LYS  52          1HZ       LYS  52  -5.774   7.100  -8.913
  376   2HZ   LYS  52          2HZ       LYS  52  -5.186   8.251  -9.829
  377   3HZ   LYS  52          3HZ       LYS  52  -4.411   6.789  -9.755
  378    H    ASN  53           H        ASN  53  -6.450  11.708  -6.437
  379    HA   ASN  53           HA       ASN  53  -9.255  11.958  -6.556
  380   1HB   ASN  53          1HB       ASN  53  -8.907  11.761  -9.176
  381   2HB   ASN  53          2HB       ASN  53  -8.089  13.031  -8.309
  382   1HD2  ASN  53          1HD2      ASN  53  -4.876  11.819  -9.217
  383   2HD2  ASN  53          2HD2      ASN  53  -5.819  12.990  -8.192
  384    H    ASN  54           H        ASN  54  -7.639   8.954  -6.588
  385    HA   ASN  54           HA       ASN  54  -8.626   6.904  -5.842
  386   1HB   ASN  54          1HB       ASN  54 -11.043   8.818  -5.865
  387   2HB   ASN  54          2HB       ASN  54 -11.282   7.133  -5.497
  388   1HD2  ASN  54          1HD2      ASN  54  -9.321   7.521  -2.380
  389   2HD2  ASN  54          2HD2      ASN  54  -9.319   6.411  -3.823
  390    H    ASP  55           H        ASP  55  -8.264   5.439  -7.370
  391    HA   ASP  55           HA       ASP  55 -10.583   4.732  -9.239
  392   1HB   ASP  55          1HB       ASP  55  -7.599   4.947  -9.989
  393   2HB   ASP  55          2HB       ASP  55  -8.798   4.181 -11.022
  394    H    GLY  56           H        GLY  56  -7.716   3.516  -7.540
  395   1HA   GLY  56          1HA       GLY  56  -8.979   1.134  -6.539
  396   2HA   GLY  56          2HA       GLY  56  -8.119   0.588  -7.984
  397    H    ARG  57           H        ARG  57  -5.742   2.009  -7.844
  398    HA   ARG  57           HA       ARG  57  -4.501   0.076  -5.821
  399   1HB   ARG  57          1HB       ARG  57  -3.738   0.817  -8.705
  400   2HB   ARG  57          2HB       ARG  57  -2.702  -0.161  -7.665
  401   1HG   ARG  57          1HG       ARG  57  -4.083  -2.050  -7.831
  402   2HG   ARG  57          2HG       ARG  57  -5.574  -1.112  -7.796
  403   1HD   ARG  57          1HD       ARG  57  -4.914  -0.338 -10.267
  404   2HD   ARG  57          2HD       ARG  57  -3.716  -1.630 -10.199
  405    HE   ARG  57           HE       ARG  57  -5.737  -3.210  -9.380
  406   1HH1  ARG  57          2HH1      ARG  57  -6.000  -0.815 -11.871
  407   2HH1  ARG  57          1HH1      ARG  57  -7.223  -1.839 -12.789
  408   1HH2  ARG  57          1HH2      ARG  57  -7.148  -4.230 -10.340
  409   2HH2  ARG  57          2HH2      ARG  57  -7.876  -3.675 -11.926
  410    H    ILE  58           H        ILE  58  -2.404   0.422  -4.971
  411    HA   ILE  58           HA       ILE  58  -1.440   3.300  -4.845
  412    HB   ILE  58           HB       ILE  58  -0.957   0.892  -3.029
  413   1HG1  ILE  58          1HG1      ILE  58  -2.299   3.633  -2.530
  414   2HG1  ILE  58          2HG1      ILE  58  -3.106   2.093  -2.629
  415   1HG2  ILE  58          1HG2      ILE  58   1.235   2.155  -3.160
  416   2HG2  ILE  58          2HG2      ILE  58   0.408   3.668  -2.741
  417   3HG2  ILE  58          3HG2      ILE  58   0.512   2.337  -1.566
  418   1HD1  ILE  58          1HD1      ILE  58  -1.921   1.250  -0.550
  419   2HD1  ILE  58          2HD1      ILE  58  -1.187   2.862  -0.347
  420   3HD1  ILE  58          3HD1      ILE  58  -2.953   2.675  -0.270
  421    H    ASP  59           H        ASP  59   0.559   3.964  -5.537
  422    HA   ASP  59           HA       ASP  59   2.619   1.885  -6.409
  423   1HB   ASP  59          1HB       ASP  59   3.576   3.721  -7.816
  424   2HB   ASP  59          2HB       ASP  59   1.886   3.412  -8.187
  425    H    PHE  60           H        PHE  60   4.960   2.943  -6.281
  426    HA   PHE  60           HA       PHE  60   5.723   2.484  -3.538
  427   1HB   PHE  60          1HB       PHE  60   7.106   2.203  -5.741
  428   2HB   PHE  60          2HB       PHE  60   7.526   3.877  -5.602
  429    HD1  PHE  60           HD1      PHE  60   7.536   3.441  -2.298
  430    HD2  PHE  60           HD2      PHE  60   9.689   1.877  -5.670
  431    HE1  PHE  60           HE1      PHE  60   9.429   2.901  -0.837
  432    HE2  PHE  60           HE2      PHE  60  11.591   1.336  -4.193
  433    HZ   PHE  60           HZ       PHE  60  11.477   1.879  -1.778
  434    H    ASP  61           H        ASP  61   5.370   5.594  -5.187
  435    HA   ASP  61           HA       ASP  61   6.169   7.529  -3.169
  436   1HB   ASP  61          1HB       ASP  61   3.548   7.823  -4.843
  437   2HB   ASP  61          2HB       ASP  61   4.846   8.946  -4.510
  438    H    GLU  62           H        GLU  62   2.833   6.540  -3.671
  439    HA   GLU  62           HA       GLU  62   1.575   7.258  -1.179
  440   1HB   GLU  62          1HB       GLU  62   0.981   4.855  -2.957
  441   2HB   GLU  62          2HB       GLU  62  -0.023   5.318  -1.616
  442   1HG   GLU  62          1HG       GLU  62   0.540   7.296  -3.930
  443   2HG   GLU  62          2HG       GLU  62  -0.734   6.096  -4.046
  444    H    PHE  63           H        PHE  63   3.681   4.418  -1.689
  445    HA   PHE  63           HA       PHE  63   3.103   2.978   0.860
  446   1HB   PHE  63          1HB       PHE  63   4.272   2.012  -1.184
  447   2HB   PHE  63          2HB       PHE  63   5.646   3.018  -0.875
  448    HD1  PHE  63           HD1      PHE  63   7.278   2.593   0.884
  449    HD2  PHE  63           HD2      PHE  63   3.964  -0.091   0.306
  450    HE1  PHE  63           HE1      PHE  63   8.392   0.914   2.264
  451    HE2  PHE  63           HE2      PHE  63   5.104  -1.769   1.704
  452    HZ   PHE  63           HZ       PHE  63   7.268  -1.228   2.777
  453    H    LEU  64           H        LEU  64   5.683   5.276  -0.051
  454    HA   LEU  64           HA       LEU  64   6.929   5.579   2.529
  455   1HB   LEU  64          1HB       LEU  64   6.733   7.539   0.186
  456   2HB   LEU  64          2HB       LEU  64   7.677   7.910   1.607
  457    HG   LEU  64           HG       LEU  64   8.183   5.400  -0.100
  458   1HD1  LEU  64          1HD1      LEU  64   9.460   8.211  -0.338
  459   2HD1  LEU  64          2HD1      LEU  64  10.092   6.735  -1.117
  460   3HD1  LEU  64          3HD1      LEU  64   8.489   7.335  -1.553
  461   1HD2  LEU  64          1HD2      LEU  64   9.936   6.846   2.020
  462   2HD2  LEU  64          2HD2      LEU  64   9.227   5.210   2.150
  463   3HD2  LEU  64          3HD2      LEU  64  10.499   5.527   0.963
  464    H    LYS  65           H        LYS  65   4.311   7.625   1.220
  465    HA   LYS  65           HA       LYS  65   4.133   9.292   3.710
  466   1HB   LYS  65          1HB       LYS  65   2.913  10.703   2.327
  467   2HB   LYS  65          2HB       LYS  65   3.966   9.911   1.171
  468   1HG   LYS  65          1HG       LYS  65   2.042   8.566   0.315
  469   2HG   LYS  65          2HG       LYS  65   1.031   9.066   1.682
  470   1HD   LYS  65          1HD       LYS  65   2.165  11.447   0.414
  471   2HD   LYS  65          2HD       LYS  65   1.400  10.480  -0.850
  472   1HE   LYS  65          1HE       LYS  65  -0.395  11.893  -0.170
  473   2HE   LYS  65          2HE       LYS  65  -0.688  10.491   0.875
  474   1HZ   LYS  65          1HZ       LYS  65   1.181  12.638   1.901
  475   2HZ   LYS  65          2HZ       LYS  65  -0.444  12.848   2.089
  476   3HZ   LYS  65          3HZ       LYS  65   0.328  11.577   2.756
  477    H    MET  66           H        MET  66   2.164   6.596   2.346
  478    HA   MET  66           HA       MET  66   0.315   6.331   4.529
  479   1HB   MET  66          1HB       MET  66   0.031   4.981   2.556
  480   2HB   MET  66          2HB       MET  66   1.641   4.302   2.667
  481   1HG   MET  66          1HG       MET  66   0.588   3.371   5.080
  482   2HG   MET  66          2HG       MET  66  -0.854   3.361   4.048
  483   1HE   MET  66          1HE       MET  66   1.044   3.261   1.235
  484   2HE   MET  66          2HE       MET  66   0.782   1.542   0.818
  485   3HE   MET  66          3HE       MET  66  -0.591   2.545   1.376
  486    H    MET  67           H        MET  67   3.478   4.610   4.342
  487    HA   MET  67           HA       MET  67   3.602   3.504   6.968
  488   1HB   MET  67          1HB       MET  67   5.312   3.232   5.015
  489   2HB   MET  67          2HB       MET  67   6.043   4.731   5.551
  490   1HG   MET  67          1HG       MET  67   6.768   3.812   7.679
  491   2HG   MET  67          2HG       MET  67   5.752   2.368   7.507
  492   1HE   MET  67          1HE       MET  67   5.993   0.642   5.498
  493   2HE   MET  67          2HE       MET  67   7.647  -0.037   5.363
  494   3HE   MET  67          3HE       MET  67   6.892   0.177   6.973
  495    H    GLU  68           H        GLU  68   4.650   6.785   6.016
  496    HA   GLU  68           HA       GLU  68   5.344   7.639   8.811
  497   1HB   GLU  68          1HB       GLU  68   5.300   9.095   6.147
  498   2HB   GLU  68          2HB       GLU  68   5.465   9.984   7.630
  499   1HG   GLU  68          1HG       GLU  68   7.436   7.682   7.104
  500   2HG   GLU  68          2HG       GLU  68   7.639   9.181   6.216
  501    H    GLY  69           H        GLY  69   2.801   8.851   6.562
  502   1HA   GLY  69          1HA       GLY  69   0.753  10.075   7.006
  503   2HA   GLY  69          2HA       GLY  69   0.642   9.031   8.427
  504    H    VAL  70           H        VAL  70   3.160  11.505   7.998
  505    HA   VAL  70           HA       VAL  70   2.093  12.922  10.506
  506    HB   VAL  70           HB       VAL  70   4.331  11.400  10.677
  507   1HG1  VAL  70          1HG1      VAL  70   5.432  14.190   9.880
  508   2HG1  VAL  70          2HG1      VAL  70   6.390  12.892  10.637
  509   3HG1  VAL  70          3HG1      VAL  70   5.722  12.660   9.020
  510   1HG2  VAL  70          1HG2      VAL  70   3.251  12.615  12.613
  511   2HG2  VAL  70          2HG2      VAL  70   5.002  12.747  12.683
  512   3HG2  VAL  70          3HG2      VAL  70   4.025  14.138  12.123
  513    H    GLN  71           H        GLN  71   1.368  14.789   9.841
  514    HA   GLN  71           HA       GLN  71   1.726  15.990   7.295
  515   1HB   GLN  71          1HB       GLN  71  -0.215  16.576   8.465
  516   2HB   GLN  71          2HB       GLN  71   0.648  17.046   9.928
  517   1HG   GLN  71          1HG       GLN  71   1.369  19.165   8.942
  518   2HG   GLN  71          2HG       GLN  71   0.991  18.667   7.304
  519   1HE2  GLN  71          1HE2      GLN  71  -1.746  20.690   9.347
  520   2HE2  GLN  71          2HE2      GLN  71   0.005  20.446   9.888
  521   1HN   NH2  72          1HN       NH2  72   3.529  16.937  10.344
  522   2HN   NH2  72          2HN       NH2  72   4.743  17.953   9.522
   
  No H/Q in entry =         522
  Start of MODEL   17
    1   1H    ACE   1          1HH3      ACE   1  16.647  10.860   6.279
    2   2H    ACE   1          2HH3      ACE   1  18.065  11.595   5.450
    3   3H    ACE   1          3HH3      ACE   1  16.562  12.531   5.681
    4    H    LYS   2           H        LYS   2  17.250   9.250   4.403
    5    HA   LYS   2           HA       LYS   2  15.749   9.678   1.839
    6   1HB   LYS   2          1HB       LYS   2  18.728  10.225   2.060
    7   2HB   LYS   2          2HB       LYS   2  18.144   9.533   0.562
    8   1HG   LYS   2          1HG       LYS   2  16.400  11.658   0.660
    9   2HG   LYS   2          2HG       LYS   2  17.522  12.284   1.840
   10   1HD   LYS   2          1HD       LYS   2  17.928  13.118  -0.538
   11   2HD   LYS   2          2HD       LYS   2  19.361  12.407   0.207
   12   1HE   LYS   2          1HE       LYS   2  17.629  10.408  -1.246
   13   2HE   LYS   2          2HE       LYS   2  18.339  11.630  -2.318
   14   1HZ   LYS   2          1HZ       LYS   2  20.524  11.091  -0.850
   15   2HZ   LYS   2          2HZ       LYS   2  19.864   9.714  -0.507
   16   3HZ   LYS   2          3HZ       LYS   2  20.212  10.097  -2.087
   17    H    SER   3           H        SER   3  14.904   7.667   1.870
   18    HA   SER   3           HA       SER   3  16.658   5.197   2.287
   19   1HB   SER   3          1HB       SER   3  15.610   6.483   4.437
   20   2HB   SER   3          2HB       SER   3  14.224   5.479   4.085
   21    HG   SER   3           HG       SER   3  15.275   3.739   4.648
   22    H    GLU   4           H        GLU   4  16.207   4.135   0.439
   23    HA   GLU   4           HA       GLU   4  13.300   3.811  -0.438
   24   1HB   GLU   4          1HB       GLU   4  13.676   4.007  -2.720
   25   2HB   GLU   4          2HB       GLU   4  14.355   5.393  -1.902
   26   1HG   GLU   4          1HG       GLU   4  16.638   4.791  -2.514
   27   2HG   GLU   4          2HG       GLU   4  16.216   3.115  -2.849
   28    H    GLU   5           H        GLU   5  16.405   2.303  -0.022
   29    HA   GLU   5           HA       GLU   5  16.153   0.018  -1.628
   30   1HB   GLU   5          1HB       GLU   5  18.272   0.426  -0.851
   31   2HB   GLU   5          2HB       GLU   5  17.802   0.622   0.810
   32   1HG   GLU   5          1HG       GLU   5  17.312  -2.094   0.595
   33   2HG   GLU   5          2HG       GLU   5  18.500  -1.948  -0.687
   34    H    GLU   6           H        GLU   6  15.168   0.001   1.818
   35    HA   GLU   6           HA       GLU   6  14.338  -2.882   1.727
   36   1HB   GLU   6          1HB       GLU   6  13.822  -2.700   4.069
   37   2HB   GLU   6          2HB       GLU   6  15.411  -2.083   3.736
   38   1HG   GLU   6          1HG       GLU   6  14.100   0.338   3.771
   39   2HG   GLU   6          2HG       GLU   6  12.947  -0.567   4.736
   40    H    LEU   7           H        LEU   7  12.686   0.196   1.411
   41    HA   LEU   7           HA       LEU   7   9.941  -1.023   1.294
   42   1HB   LEU   7          1HB       LEU   7  10.956   1.792   0.615
   43   2HB   LEU   7          2HB       LEU   7   9.273   1.332   0.542
   44    HG   LEU   7           HG       LEU   7  10.990   1.913   2.947
   45   1HD1  LEU   7          1HD1      LEU   7   9.275   3.519   2.128
   46   2HD1  LEU   7          2HD1      LEU   7   7.984   2.306   2.321
   47   3HD1  LEU   7          3HD1      LEU   7   8.850   2.939   3.745
   48   1HD2  LEU   7          1HD2      LEU   7   8.694  -0.180   3.094
   49   2HD2  LEU   7          2HD2      LEU   7  10.411  -0.448   3.501
   50   3HD2  LEU   7          3HD2      LEU   7   9.435   0.632   4.499
   51    H    ALA   8           H        ALA   8  12.339  -0.052  -1.183
   52    HA   ALA   8           HA       ALA   8  10.832  -0.935  -3.490
   53   1HB   ALA   8          1HB       ALA   8  13.879  -0.945  -2.949
   54   2HB   ALA   8          2HB       ALA   8  13.124  -1.101  -4.548
   55   3HB   ALA   8          3HB       ALA   8  12.916   0.391  -3.623
   56    H    ASN   9           H        ASN   9  13.405  -2.996  -1.957
   57    HA   ASN   9           HA       ASN   9  12.587  -5.579  -2.717
   58   1HB   ASN   9          1HB       ASN   9  13.416  -4.808   0.167
   59   2HB   ASN   9          2HB       ASN   9  13.528  -6.398  -0.534
   60   1HD2  ASN   9          1HD2      ASN   9  16.176  -4.584  -2.766
   61   2HD2  ASN   9          2HD2      ASN   9  14.411  -4.817  -3.146
   62    H    ALA  10           H        ALA  10  10.973  -3.672  -0.192
   63    HA   ALA  10           HA       ALA  10   9.011  -5.765   0.647
   64   1HB   ALA  10          1HB       ALA  10   9.830  -3.929   2.140
   65   2HB   ALA  10          2HB       ALA  10   9.044  -2.702   1.113
   66   3HB   ALA  10          3HB       ALA  10   8.061  -3.889   1.999
   67    H    PHE  11           H        PHE  11   8.727  -2.886  -1.471
   68    HA   PHE  11           HA       PHE  11   5.945  -3.325  -2.276
   69   1HB   PHE  11          1HB       PHE  11   7.164  -1.143  -2.379
   70   2HB   PHE  11          2HB       PHE  11   8.186  -1.742  -3.642
   71    HD1  PHE  11           HD1      PHE  11   7.296  -2.142  -5.979
   72    HD2  PHE  11           HD2      PHE  11   4.889  -0.252  -2.955
   73    HE1  PHE  11           HE1      PHE  11   5.715  -1.376  -7.703
   74    HE2  PHE  11           HE2      PHE  11   3.353   0.557  -4.702
   75    HZ   PHE  11           HZ       PHE  11   3.773   0.005  -7.079
   76    H    ARG  12           H        ARG  12   8.959  -4.298  -3.959
   77    HA   ARG  12           HA       ARG  12   7.807  -6.035  -5.978
   78   1HB   ARG  12          1HB       ARG  12  10.304  -5.428  -5.507
   79   2HB   ARG  12          2HB       ARG  12  10.312  -6.759  -4.356
   80   1HG   ARG  12          1HG       ARG  12   9.286  -8.141  -6.479
   81   2HG   ARG  12          2HG       ARG  12  10.041  -6.845  -7.415
   82   1HD   ARG  12          1HD       ARG  12  12.024  -7.981  -7.282
   83   2HD   ARG  12          2HD       ARG  12  12.071  -7.591  -5.540
   84    HE   ARG  12           HE       ARG  12  10.443 -10.024  -6.441
   85   1HH1  ARG  12          2HH1      ARG  12  13.163  -8.807  -4.673
   86   2HH1  ARG  12          1HH1      ARG  12  13.397 -10.389  -3.785
   87   1HH2  ARG  12          1HH2      ARG  12  10.732 -11.788  -5.454
   88   2HH2  ARG  12          2HH2      ARG  12  12.072 -12.005  -4.236
   89    H    ILE  13           H        ILE  13   8.511  -6.910  -2.528
   90    HA   ILE  13           HA       ILE  13   8.082  -9.827  -3.003
   91    HB   ILE  13           HB       ILE  13   8.507  -8.158  -0.483
   92   1HG1  ILE  13          1HG1      ILE  13  10.482  -8.969  -2.118
   93   2HG1  ILE  13          2HG1      ILE  13  10.685  -8.954  -0.388
   94   1HG2  ILE  13          1HG2      ILE  13   6.934 -10.011   0.203
   95   2HG2  ILE  13          2HG2      ILE  13   8.007 -11.226  -0.532
   96   3HG2  ILE  13          3HG2      ILE  13   8.521 -10.299   0.891
   97   1HD1  ILE  13          1HD1      ILE  13  10.185 -11.414  -0.207
   98   2HD1  ILE  13          2HD1      ILE  13  10.032 -11.507  -1.978
   99   3HD1  ILE  13          3HD1      ILE  13  11.586 -11.065  -1.245
  100    H    PHE  14           H        PHE  14   6.090  -7.138  -1.940
  101    HA   PHE  14           HA       PHE  14   3.611  -8.516  -1.140
  102   1HB   PHE  14          1HB       PHE  14   4.102  -5.797  -2.518
  103   2HB   PHE  14          2HB       PHE  14   2.509  -6.347  -2.115
  104    HD1  PHE  14           HD1      PHE  14   5.091  -7.321   0.329
  105    HD2  PHE  14           HD2      PHE  14   2.309  -4.234  -0.760
  106    HE1  PHE  14           HE1      PHE  14   5.225  -6.394   2.606
  107    HE2  PHE  14           HE2      PHE  14   2.465  -3.299   1.514
  108    HZ   PHE  14           HZ       PHE  14   3.898  -4.400   3.214
  109    H    ASP  15           H        ASP  15   4.419  -7.126  -4.349
  110    HA   ASP  15           HA       ASP  15   2.071  -8.203  -5.659
  111   1HB   ASP  15          1HB       ASP  15   3.241  -6.118  -6.331
  112   2HB   ASP  15          2HB       ASP  15   4.658  -7.016  -6.851
  113    H    LYS  16           H        LYS  16   1.722  -9.847  -7.206
  114    HA   LYS  16           HA       LYS  16   3.251 -12.327  -6.359
  115   1HB   LYS  16          1HB       LYS  16   0.609 -12.347  -7.917
  116   2HB   LYS  16          2HB       LYS  16   1.335 -13.674  -7.052
  117   1HG   LYS  16          1HG       LYS  16   0.040 -11.126  -5.838
  118   2HG   LYS  16          2HG       LYS  16  -0.684 -12.728  -5.907
  119   1HD   LYS  16          1HD       LYS  16   1.869 -12.029  -4.309
  120   2HD   LYS  16          2HD       LYS  16   0.237 -12.097  -3.647
  121   1HE   LYS  16          1HE       LYS  16   0.935 -14.645  -5.017
  122   2HE   LYS  16          2HE       LYS  16   2.017 -14.286  -3.656
  123   1HZ   LYS  16          1HZ       LYS  16  -0.398 -13.591  -2.527
  124   2HZ   LYS  16          2HZ       LYS  16  -0.935 -14.739  -3.588
  125   3HZ   LYS  16          3HZ       LYS  16   0.190 -15.125  -2.476
  126    H    ASN  17           H        ASN  17   2.226 -10.505  -9.211
  127    HA   ASN  17           HA       ASN  17   3.583 -12.470 -11.063
  128   1HB   ASN  17          1HB       ASN  17   1.555 -10.253 -11.706
  129   2HB   ASN  17          2HB       ASN  17   2.160 -11.417 -12.854
  130   1HD2  ASN  17          1HD2      ASN  17  -0.067 -13.966 -11.593
  131   2HD2  ASN  17          2HD2      ASN  17   1.442 -13.710 -12.530
  132    H    ALA  18           H        ALA  18   3.983  -9.166 -10.070
  133    HA   ALA  18           HA       ALA  18   6.003  -7.864 -10.158
  134   1HB   ALA  18          1HB       ALA  18   7.000 -10.178 -10.019
  135   2HB   ALA  18          2HB       ALA  18   6.982 -10.287 -11.793
  136   3HB   ALA  18          3HB       ALA  18   8.015  -9.086 -11.000
  137    H    ASP  19           H        ASP  19   3.993  -7.300 -12.197
  138    HA   ASP  19           HA       ASP  19   5.543  -5.984 -14.418
  139   1HB   ASP  19          1HB       ASP  19   2.713  -5.360 -13.354
  140   2HB   ASP  19          2HB       ASP  19   3.399  -4.777 -14.864
  141    H    GLY  20           H        GLY  20   5.516  -5.486 -11.095
  142   1HA   GLY  20          1HA       GLY  20   6.460  -3.685  -9.760
  143   2HA   GLY  20          2HA       GLY  20   6.635  -2.732 -11.239
  144    H    TYR  21           H        TYR  21   3.398  -3.743 -10.836
  145    HA   TYR  21           HA       TYR  21   2.615  -1.235  -9.234
  146   1HB   TYR  21          1HB       TYR  21   0.940  -2.894 -11.227
  147   2HB   TYR  21          2HB       TYR  21   0.304  -1.603 -10.253
  148    HD1  TYR  21           HD1      TYR  21   2.028   0.667 -10.443
  149    HD2  TYR  21           HD2      TYR  21   1.238  -2.255 -13.498
  150    HE1  TYR  21           HE1      TYR  21   2.518   2.340 -12.182
  151    HE2  TYR  21           HE2      TYR  21   1.764  -0.563 -15.222
  152    HH   TYR  21           HH       TYR  21   1.637   2.372 -14.996
  153    H    ILE  22           H        ILE  22   1.027  -1.398  -7.581
  154    HA   ILE  22           HA       ILE  22   0.136  -4.185  -6.695
  155    HB   ILE  22           HB       ILE  22  -0.018  -1.517  -5.192
  156   1HG1  ILE  22          1HG1      ILE  22   1.839  -3.951  -4.766
  157   2HG1  ILE  22          2HG1      ILE  22   2.318  -2.338  -5.220
  158   1HG2  ILE  22          1HG2      ILE  22  -1.944  -3.021  -4.515
  159   2HG2  ILE  22          2HG2      ILE  22  -0.813  -4.343  -4.163
  160   3HG2  ILE  22          3HG2      ILE  22  -0.809  -2.852  -3.186
  161   1HD1  ILE  22          1HD1      ILE  22   1.512  -1.412  -2.987
  162   2HD1  ILE  22          2HD1      ILE  22   1.214  -3.085  -2.452
  163   3HD1  ILE  22          3HD1      ILE  22   2.860  -2.571  -2.874
  164    H    ASP  23           H        ASP  23  -2.084  -4.679  -6.371
  165    HA   ASP  23           HA       ASP  23  -4.144  -2.675  -7.415
  166   1HB   ASP  23          1HB       ASP  23  -5.546  -4.827  -7.800
  167   2HB   ASP  23          2HB       ASP  23  -4.141  -4.593  -8.831
  168    H    ILE  24           H        ILE  24  -6.333  -2.853  -6.495
  169    HA   ILE  24           HA       ILE  24  -6.389  -2.327  -3.562
  170    HB   ILE  24           HB       ILE  24  -8.055  -1.439  -5.350
  171   1HG1  ILE  24          1HG1      ILE  24  -9.631  -0.801  -3.714
  172   2HG1  ILE  24          2HG1      ILE  24  -9.707  -2.382  -2.984
  173   1HG2  ILE  24          1HG2      ILE  24  -8.865  -3.655  -6.281
  174   2HG2  ILE  24          2HG2      ILE  24  -9.535  -4.092  -4.697
  175   3HG2  ILE  24          3HG2      ILE  24 -10.213  -2.736  -5.635
  176   1HD1  ILE  24          1HD1      ILE  24  -7.412  -2.061  -1.928
  177   2HD1  ILE  24          2HD1      ILE  24  -7.434  -0.373  -2.496
  178   3HD1  ILE  24          3HD1      ILE  24  -8.665  -0.933  -1.345
  179    H    GLU  25           H        GLU  25  -6.829  -5.215  -5.510
  180    HA   GLU  25           HA       GLU  25  -8.172  -6.838  -3.374
  181   1HB   GLU  25          1HB       GLU  25  -8.645  -7.101  -5.823
  182   2HB   GLU  25          2HB       GLU  25  -7.059  -7.768  -6.066
  183   1HG   GLU  25          1HG       GLU  25  -8.324  -9.753  -5.931
  184   2HG   GLU  25          2HG       GLU  25  -7.850  -9.628  -4.247
  185    H    GLU  26           H        GLU  26  -4.883  -6.460  -4.542
  186    HA   GLU  26           HA       GLU  26  -3.726  -8.564  -2.740
  187   1HB   GLU  26          1HB       GLU  26  -2.418  -6.508  -4.567
  188   2HB   GLU  26          2HB       GLU  26  -1.484  -7.530  -3.517
  189   1HG   GLU  26          1HG       GLU  26  -2.827  -9.543  -4.801
  190   2HG   GLU  26          2HG       GLU  26  -3.056  -8.314  -6.032
  191    H    LEU  27           H        LEU  27  -4.278  -5.114  -2.487
  192    HA   LEU  27           HA       LEU  27  -2.344  -4.253  -0.451
  193   1HB   LEU  27          1HB       LEU  27  -3.816  -2.738  -1.766
  194   2HB   LEU  27          2HB       LEU  27  -5.236  -3.347  -0.956
  195    HG   LEU  27           HG       LEU  27  -3.422  -2.405   1.128
  196   1HD1  LEU  27          1HD1      LEU  27  -2.304  -1.068  -0.659
  197   2HD1  LEU  27          2HD1      LEU  27  -3.858  -0.319  -1.122
  198   3HD1  LEU  27          3HD1      LEU  27  -3.143  -0.028   0.490
  199   1HD2  LEU  27          1HD2      LEU  27  -6.072  -1.166   0.070
  200   2HD2  LEU  27          2HD2      LEU  27  -5.930  -2.420   1.338
  201   3HD2  LEU  27          3HD2      LEU  27  -5.279  -0.803   1.628
  202    H    GLY  28           H        GLY  28  -5.772  -4.927   0.350
  203   1HA   GLY  28          1HA       GLY  28  -5.499  -4.860   3.246
  204   2HA   GLY  28          2HA       GLY  28  -6.781  -5.730   2.393
  205    H    GLU  29           H        GLU  29  -5.285  -7.705   1.086
  206    HA   GLU  29           HA       GLU  29  -4.931  -9.652   3.288
  207   1HB   GLU  29          1HB       GLU  29  -5.010  -9.815   0.289
  208   2HB   GLU  29          2HB       GLU  29  -4.241 -11.135   1.116
  209   1HG   GLU  29          1HG       GLU  29  -6.875 -11.205   0.521
  210   2HG   GLU  29          2HG       GLU  29  -6.282 -11.980   1.978
  211    H    ILE  30           H        ILE  30  -2.649  -7.916   1.296
  212    HA   ILE  30           HA       ILE  30  -0.099  -9.125   2.245
  213    HB   ILE  30           HB       ILE  30  -0.794  -6.296   1.316
  214   1HG1  ILE  30          1HG1      ILE  30   1.328  -7.944  -0.096
  215   2HG1  ILE  30          2HG1      ILE  30  -0.304  -8.536  -0.256
  216   1HG2  ILE  30          1HG2      ILE  30   1.065  -6.074   3.005
  217   2HG2  ILE  30          2HG2      ILE  30   2.024  -7.302   2.139
  218   3HG2  ILE  30          3HG2      ILE  30   1.660  -5.724   1.386
  219   1HD1  ILE  30          1HD1      ILE  30   0.494  -5.674  -1.115
  220   2HD1  ILE  30          2HD1      ILE  30   0.215  -7.080  -2.164
  221   3HD1  ILE  30          3HD1      ILE  30  -1.130  -6.402  -1.225
  222    H    LEU  31           H        LEU  31  -2.001  -6.355   3.506
  223    HA   LEU  31           HA       LEU  31  -0.295  -5.784   5.862
  224   1HB   LEU  31          1HB       LEU  31  -3.249  -5.204   6.020
  225   2HB   LEU  31          2HB       LEU  31  -1.896  -4.225   6.531
  226    HG   LEU  31           HG       LEU  31  -2.776  -4.608   3.606
  227   1HD1  LEU  31          1HD1      LEU  31  -3.159  -2.235   5.553
  228   2HD1  LEU  31          2HD1      LEU  31  -3.515  -2.204   3.805
  229   3HD1  LEU  31          3HD1      LEU  31  -4.421  -3.292   4.861
  230   1HD2  LEU  31          1HD2      LEU  31  -0.587  -2.766   4.809
  231   2HD2  LEU  31          2HD2      LEU  31  -0.342  -4.101   3.649
  232   3HD2  LEU  31          3HD2      LEU  31  -1.213  -2.649   3.143
  233    H    ARG  32           H        ARG  32  -3.247  -7.753   5.563
  234    HA   ARG  32           HA       ARG  32  -3.250  -8.373   8.496
  235   1HB   ARG  32          1HB       ARG  32  -5.069  -8.091   6.243
  236   2HB   ARG  32          2HB       ARG  32  -5.394  -9.659   6.980
  237   1HG   ARG  32          1HG       ARG  32  -5.164  -7.097   8.694
  238   2HG   ARG  32          2HG       ARG  32  -6.648  -7.453   7.791
  239   1HD   ARG  32          1HD       ARG  32  -5.615  -9.815   9.361
  240   2HD   ARG  32          2HD       ARG  32  -6.046  -8.426  10.384
  241    HE   ARG  32           HE       ARG  32  -8.280  -8.495   8.731
  242   1HH1  ARG  32          2HH1      ARG  32  -6.712 -11.146  10.338
  243   2HH1  ARG  32          1HH1      ARG  32  -8.267 -12.099  10.444
  244   1HH2  ARG  32          1HH2      ARG  32 -10.016  -9.587   8.890
  245   2HH2  ARG  32          2HH2      ARG  32 -10.034 -11.242   9.655
  246    H    ALA  33           H        ALA  33  -2.837 -10.292   5.501
  247    HA   ALA  33           HA       ALA  33  -2.250 -12.820   6.942
  248   1HB   ALA  33          1HB       ALA  33  -3.385 -12.735   4.727
  249   2HB   ALA  33          2HB       ALA  33  -1.930 -12.033   3.970
  250   3HB   ALA  33          3HB       ALA  33  -1.895 -13.686   4.620
  251    H    THR  34           H        THR  34  -0.238 -14.123   6.658
  252    HA   THR  34           HA       THR  34   2.273 -12.466   6.929
  253    HB   THR  34           HB       THR  34   2.782 -13.426   9.240
  254    HG1  THR  34           HG1      THR  34   0.070 -13.543   9.763
  255   1HG2  THR  34          2HG2      THR  34   1.944 -11.020   8.829
  256   2HG2  THR  34          3HG2      THR  34   0.284 -11.591   9.137
  257   3HG2  THR  34          1HG2      THR  34   1.492 -11.656  10.432
  258    H    GLY  35           H        GLY  35   3.512 -13.613   5.510
  259   1HA   GLY  35          1HA       GLY  35   4.686 -15.579   4.607
  260   2HA   GLY  35          2HA       GLY  35   3.661 -16.625   5.598
  261   1HN   NH2  36          1HN       NH2  36   3.963 -17.826   3.347
  262   2HN   NH2  36          2HN       NH2  36   2.586 -17.621   2.232
  263   1H    ACE  37          1HH3      ACE  37  -7.862  -2.043  14.676
  264   2H    ACE  37          2HH3      ACE  37  -6.192  -2.310  14.065
  265   3H    ACE  37          3HH3      ACE  37  -6.708  -0.685  14.589
  266    H    VAL  38           H        VAL  38  -7.995  -3.170  12.259
  267    HA   VAL  38           HA       VAL  38  -8.268  -1.139  10.098
  268    HB   VAL  38           HB       VAL  38  -6.464  -2.419   8.616
  269   1HG1  VAL  38          1HG1      VAL  38  -5.719  -0.174  10.631
  270   2HG1  VAL  38          2HG1      VAL  38  -4.732  -0.617   9.219
  271   3HG1  VAL  38          3HG1      VAL  38  -6.354   0.045   8.990
  272   1HG2  VAL  38          1HG2      VAL  38  -5.630  -4.018  10.394
  273   2HG2  VAL  38          2HG2      VAL  38  -4.334  -2.916   9.883
  274   3HG2  VAL  38          3HG2      VAL  38  -5.178  -2.644  11.427
  275    H    THR  39           H        THR  39 -10.250  -1.970   9.698
  276    HA   THR  39           HA       THR  39 -10.766  -4.965   9.407
  277    HB   THR  39           HB       THR  39 -13.203  -3.865   8.830
  278    HG1  THR  39           HG1      THR  39 -12.415  -2.292  10.991
  279   1HG2  THR  39          2HG2      THR  39 -12.043  -4.332  11.669
  280   2HG2  THR  39          3HG2      THR  39 -13.775  -4.291  11.258
  281   3HG2  THR  39          1HG2      THR  39 -12.740  -5.580  10.609
  282    H    GLU  40           H        GLU  40 -12.623  -5.030   7.438
  283    HA   GLU  40           HA       GLU  40 -11.160  -4.574   4.861
  284   1HB   GLU  40          1HB       GLU  40 -12.456  -6.601   5.144
  285   2HB   GLU  40          2HB       GLU  40 -13.926  -5.726   5.447
  286   1HG   GLU  40          1HG       GLU  40 -14.423  -5.562   3.185
  287   2HG   GLU  40          2HG       GLU  40 -12.816  -5.002   2.760
  288    H    GLU  41           H        GLU  41 -14.266  -3.257   6.105
  289    HA   GLU  41           HA       GLU  41 -14.651  -1.213   4.191
  290   1HB   GLU  41          1HB       GLU  41 -15.901  -2.020   6.562
  291   2HB   GLU  41          2HB       GLU  41 -15.531  -0.355   6.889
  292   1HG   GLU  41          1HG       GLU  41 -16.715   0.031   4.434
  293   2HG   GLU  41          2HG       GLU  41 -17.467  -1.507   4.816
  294    H    ASP  42           H        ASP  42 -12.338  -1.067   6.790
  295    HA   ASP  42           HA       ASP  42 -11.813   1.914   6.525
  296   1HB   ASP  42          1HB       ASP  42 -10.645  -0.286   8.334
  297   2HB   ASP  42          2HB       ASP  42  -9.943   1.325   8.264
  298    H    ILE  43           H        ILE  43 -10.044  -1.131   5.850
  299    HA   ILE  43           HA       ILE  43  -7.852  -0.142   4.296
  300    HB   ILE  43           HB       ILE  43  -9.456  -2.701   4.060
  301   1HG1  ILE  43          1HG1      ILE  43  -6.399  -2.506   4.318
  302   2HG1  ILE  43          2HG1      ILE  43  -7.400  -2.222   5.716
  303   1HG2  ILE  43          1HG2      ILE  43  -8.948  -2.182   1.640
  304   2HG2  ILE  43          2HG2      ILE  43  -7.234  -1.932   2.026
  305   3HG2  ILE  43          3HG2      ILE  43  -7.975  -3.546   2.171
  306   1HD1  ILE  43          1HD1      ILE  43  -8.482  -4.500   5.503
  307   2HD1  ILE  43          2HD1      ILE  43  -7.365  -4.883   4.166
  308   3HD1  ILE  43          3HD1      ILE  43  -6.728  -4.553   5.791
  309    H    GLU  44           H        GLU  44 -11.182  -0.649   3.115
  310    HA   GLU  44           HA       GLU  44 -10.598   0.286   0.326
  311   1HB   GLU  44          1HB       GLU  44 -12.894  -0.934   1.732
  312   2HB   GLU  44          2HB       GLU  44 -13.393   0.297   0.613
  313   1HG   GLU  44          1HG       GLU  44 -11.432  -1.539  -0.693
  314   2HG   GLU  44          2HG       GLU  44 -12.764  -2.443   0.003
  315    H    ASP  45           H        ASP  45 -11.847   1.761   3.250
  316    HA   ASP  45           HA       ASP  45 -12.632   4.388   2.019
  317   1HB   ASP  45          1HB       ASP  45 -12.455   3.262   4.853
  318   2HB   ASP  45          2HB       ASP  45 -12.526   5.006   4.649
  319    H    LEU  46           H        LEU  46  -9.741   3.137   3.677
  320    HA   LEU  46           HA       LEU  46  -7.960   5.465   3.243
  321   1HB   LEU  46          1HB       LEU  46  -7.436   3.497   4.674
  322   2HB   LEU  46          2HB       LEU  46  -7.330   2.452   3.277
  323    HG   LEU  46           HG       LEU  46  -5.377   4.131   2.478
  324   1HD1  LEU  46          1HD1      LEU  46  -6.027   5.593   4.633
  325   2HD1  LEU  46          2HD1      LEU  46  -4.939   4.475   5.469
  326   3HD1  LEU  46          3HD1      LEU  46  -4.322   5.462   4.112
  327   1HD2  LEU  46          1HD2      LEU  46  -5.303   1.729   4.305
  328   2HD2  LEU  46          2HD2      LEU  46  -4.371   2.090   2.821
  329   3HD2  LEU  46          3HD2      LEU  46  -3.857   2.780   4.362
  330    H    MET  47           H        MET  47  -8.486   2.682   1.072
  331    HA   MET  47           HA       MET  47  -6.861   3.838  -1.100
  332   1HB   MET  47          1HB       MET  47  -7.920   1.284  -0.461
  333   2HB   MET  47          2HB       MET  47  -8.728   1.703  -1.962
  334   1HG   MET  47          1HG       MET  47  -5.733   2.190  -1.964
  335   2HG   MET  47          2HG       MET  47  -6.273   0.502  -1.923
  336   1HE   MET  47          1HE       MET  47  -4.581   1.259  -4.173
  337   2HE   MET  47          2HE       MET  47  -5.484  -0.284  -4.192
  338   3HE   MET  47          3HE       MET  47  -5.481   0.756  -5.646
  339    H    LYS  48           H        LYS  48 -10.274   4.290  -0.346
  340    HA   LYS  48           HA       LYS  48 -10.696   5.870  -2.865
  341   1HB   LYS  48          1HB       LYS  48 -12.238   5.186  -0.363
  342   2HB   LYS  48          2HB       LYS  48 -12.764   6.628  -1.174
  343   1HG   LYS  48          1HG       LYS  48 -13.796   5.385  -2.905
  344   2HG   LYS  48          2HG       LYS  48 -12.417   4.348  -3.092
  345   1HD   LYS  48          1HD       LYS  48 -13.372   3.443  -0.621
  346   2HD   LYS  48          2HD       LYS  48 -14.875   3.826  -1.394
  347   1HE   LYS  48          1HE       LYS  48 -12.705   2.026  -2.734
  348   2HE   LYS  48          2HE       LYS  48 -13.930   1.385  -1.653
  349   1HZ   LYS  48          1HZ       LYS  48 -14.941   3.092  -3.876
  350   2HZ   LYS  48          2HZ       LYS  48 -14.434   1.662  -4.331
  351   3HZ   LYS  48          3HZ       LYS  48 -15.665   1.780  -3.229
  352    H    ASP  49           H        ASP  49  -9.775   6.573   0.482
  353    HA   ASP  49           HA       ASP  49 -10.042   9.572   0.220
  354   1HB   ASP  49          1HB       ASP  49 -10.440   8.286   2.404
  355   2HB   ASP  49          2HB       ASP  49  -8.712   7.976   2.502
  356    H    SER  50           H        SER  50  -7.447   7.196  -0.018
  357    HA   SER  50           HA       SER  50  -5.236   9.267  -0.207
  358   1HB   SER  50          1HB       SER  50  -5.093   6.860   0.914
  359   2HB   SER  50          2HB       SER  50  -4.912   6.248  -0.728
  360    HG   SER  50           HG       SER  50  -3.167   7.669   0.864
  361    H    ASP  51           H        ASP  51  -7.297   7.430  -2.341
  362    HA   ASP  51           HA       ASP  51  -5.755   7.644  -4.796
  363   1HB   ASP  51          1HB       ASP  51  -7.897   6.197  -4.104
  364   2HB   ASP  51          2HB       ASP  51  -8.816   7.521  -4.806
  365    H    LYS  52           H        LYS  52  -7.540   8.847  -6.722
  366    HA   LYS  52           HA       LYS  52  -6.996  11.769  -6.303
  367   1HB   LYS  52          1HB       LYS  52  -5.234  10.279  -8.311
  368   2HB   LYS  52          2HB       LYS  52  -5.114  11.965  -7.911
  369   1HG   LYS  52          1HG       LYS  52  -4.251   9.502  -6.237
  370   2HG   LYS  52          2HG       LYS  52  -3.253  10.788  -6.840
  371   1HD   LYS  52          1HD       LYS  52  -5.238  12.025  -5.099
  372   2HD   LYS  52          2HD       LYS  52  -4.575  10.694  -4.211
  373   1HE   LYS  52          1HE       LYS  52  -2.978  12.336  -3.605
  374   2HE   LYS  52          2HE       LYS  52  -2.184  11.780  -5.077
  375   1HZ   LYS  52          1HZ       LYS  52  -4.256  13.953  -5.439
  376   2HZ   LYS  52          2HZ       LYS  52  -2.756  14.386  -4.887
  377   3HZ   LYS  52          3HZ       LYS  52  -2.979  13.642  -6.323
  378    H    ASN  53           H        ASN  53  -6.473  11.679  -9.428
  379    HA   ASN  53           HA       ASN  53  -9.224  11.788 -10.399
  380   1HB   ASN  53          1HB       ASN  53  -8.127  12.071 -12.682
  381   2HB   ASN  53          2HB       ASN  53  -7.496  13.142 -11.462
  382   1HD2  ASN  53          1HD2      ASN  53  -4.421  12.044 -12.959
  383   2HD2  ASN  53          2HD2      ASN  53  -5.723  13.315 -13.023
  384    H    ASN  54           H        ASN  54  -7.957   9.045  -9.428
  385    HA   ASN  54           HA       ASN  54  -9.284   7.036  -9.311
  386   1HB   ASN  54          1HB       ASN  54 -10.876   8.686 -11.370
  387   2HB   ASN  54          2HB       ASN  54 -11.274   7.005 -11.155
  388   1HD2  ASN  54          1HD2      ASN  54 -13.240   7.756  -8.335
  389   2HD2  ASN  54          2HD2      ASN  54 -12.791   6.595  -9.663
  390    H    ASP  55           H        ASP  55  -6.886   7.261 -10.978
  391    HA   ASP  55           HA       ASP  55  -7.219   4.694 -12.595
  392   1HB   ASP  55          1HB       ASP  55  -4.617   4.941 -12.790
  393   2HB   ASP  55          2HB       ASP  55  -5.627   6.076 -13.675
  394    H    GLY  56           H        GLY  56  -8.101   3.479 -10.714
  395   1HA   GLY  56          1HA       GLY  56  -7.363   3.849  -7.933
  396   2HA   GLY  56          2HA       GLY  56  -8.111   2.381  -8.575
  397    H    ARG  57           H        ARG  57  -6.060   1.410 -10.212
  398    HA   ARG  57           HA       ARG  57  -4.348  -0.013  -8.371
  399   1HB   ARG  57          1HB       ARG  57  -3.046  -0.578 -10.621
  400   2HB   ARG  57          2HB       ARG  57  -4.674  -1.188 -10.329
  401   1HG   ARG  57          1HG       ARG  57  -5.680   0.431 -11.847
  402   2HG   ARG  57          2HG       ARG  57  -4.270   1.488 -11.812
  403   1HD   ARG  57          1HD       ARG  57  -3.159   0.272 -13.485
  404   2HD   ARG  57          2HD       ARG  57  -3.641  -1.279 -12.800
  405    HE   ARG  57           HE       ARG  57  -5.240   0.193 -14.857
  406   1HH1  ARG  57          2HH1      ARG  57  -5.572  -2.092 -12.271
  407   2HH1  ARG  57          1HH1      ARG  57  -7.201  -2.655 -12.917
  408   1HH2  ARG  57          1HH2      ARG  57  -6.945  -0.527 -15.586
  409   2HH2  ARG  57          2HH2      ARG  57  -7.903  -1.854 -14.763
  410    H    ILE  58           H        ILE  58  -2.253   0.087  -7.712
  411    HA   ILE  58           HA       ILE  58  -1.344   2.978  -7.500
  412    HB   ILE  58           HB       ILE  58  -1.148   0.626  -5.557
  413   1HG1  ILE  58          1HG1      ILE  58  -2.610   3.346  -5.367
  414   2HG1  ILE  58          2HG1      ILE  58  -3.361   1.791  -5.586
  415   1HG2  ILE  58          1HG2      ILE  58   1.003   1.947  -5.344
  416   2HG2  ILE  58          2HG2      ILE  58   0.081   3.447  -5.121
  417   3HG2  ILE  58          3HG2      ILE  58   0.009   2.150  -3.906
  418   1HD1  ILE  58          1HD1      ILE  58  -2.558   0.994  -3.316
  419   2HD1  ILE  58          2HD1      ILE  58  -1.898   2.622  -3.009
  420   3HD1  ILE  58          3HD1      ILE  58  -3.646   2.404  -3.248
  421    H    ASP  59           H        ASP  59   0.771   3.636  -7.748
  422    HA   ASP  59           HA       ASP  59   2.929   1.546  -8.316
  423   1HB   ASP  59          1HB       ASP  59   4.076   3.371  -9.590
  424   2HB   ASP  59          2HB       ASP  59   2.455   3.057 -10.193
  425    H    PHE  60           H        PHE  60   5.210   3.237  -7.908
  426    HA   PHE  60           HA       PHE  60   5.705   2.075  -5.188
  427   1HB   PHE  60          1HB       PHE  60   7.322   2.158  -7.249
  428   2HB   PHE  60          2HB       PHE  60   7.614   3.818  -6.847
  429    HD1  PHE  60           HD1      PHE  60   7.486   3.221  -3.645
  430    HD2  PHE  60           HD2      PHE  60   9.697   1.582  -6.944
  431    HE1  PHE  60           HE1      PHE  60   9.296   2.543  -2.108
  432    HE2  PHE  60           HE2      PHE  60  11.493   0.913  -5.410
  433    HZ   PHE  60           HZ       PHE  60  11.321   1.422  -2.996
  434    H    ASP  61           H        ASP  61   5.646   5.386  -6.507
  435    HA   ASP  61           HA       ASP  61   6.081   7.040  -4.164
  436   1HB   ASP  61          1HB       ASP  61   3.895   7.684  -6.300
  437   2HB   ASP  61          2HB       ASP  61   5.138   8.677  -5.576
  438    H    GLU  62           H        GLU  62   2.884   6.346  -5.445
  439    HA   GLU  62           HA       GLU  62   1.070   6.973  -3.355
  440   1HB   GLU  62          1HB       GLU  62   1.036   4.727  -5.385
  441   2HB   GLU  62          2HB       GLU  62  -0.215   4.798  -4.181
  442   1HG   GLU  62          1HG       GLU  62  -0.819   5.877  -6.440
  443   2HG   GLU  62          2HG       GLU  62  -1.099   6.923  -5.058
  444    H    PHE  63           H        PHE  63   3.120   4.091  -3.423
  445    HA   PHE  63           HA       PHE  63   2.016   2.693  -1.015
  446   1HB   PHE  63          1HB       PHE  63   3.497   1.669  -2.843
  447   2HB   PHE  63          2HB       PHE  63   4.849   2.546  -2.211
  448    HD1  PHE  63           HD1      PHE  63   2.554   1.209   0.391
  449    HD2  PHE  63           HD2      PHE  63   5.913   0.212  -2.108
  450    HE1  PHE  63           HE1      PHE  63   3.277  -0.500   2.015
  451    HE2  PHE  63           HE2      PHE  63   6.599  -1.494  -0.496
  452    HZ   PHE  63           HZ       PHE  63   5.380  -1.749   1.643
  453    H    LEU  64           H        LEU  64   4.985   4.662  -1.389
  454    HA   LEU  64           HA       LEU  64   5.797   4.758   1.346
  455   1HB   LEU  64          1HB       LEU  64   6.205   6.801  -0.892
  456   2HB   LEU  64          2HB       LEU  64   6.932   7.029   0.682
  457    HG   LEU  64           HG       LEU  64   7.446   4.483  -0.960
  458   1HD1  LEU  64          1HD1      LEU  64   8.973   7.173  -1.094
  459   2HD1  LEU  64          2HD1      LEU  64   9.572   5.627  -1.754
  460   3HD1  LEU  64          3HD1      LEU  64   8.092   6.339  -2.403
  461   1HD2  LEU  64          1HD2      LEU  64   9.036   5.849   1.335
  462   2HD2  LEU  64          2HD2      LEU  64   8.181   4.281   1.408
  463   3HD2  LEU  64          3HD2      LEU  64   9.613   4.457   0.385
  464    H    LYS  65           H        LYS  65   3.538   7.056  -0.194
  465    HA   LYS  65           HA       LYS  65   2.899   8.481   2.361
  466   1HB   LYS  65          1HB       LYS  65   2.342   9.973   0.805
  467   2HB   LYS  65          2HB       LYS  65   2.724   8.831  -0.469
  468   1HG   LYS  65          1HG       LYS  65   0.536   9.109  -1.150
  469   2HG   LYS  65          2HG       LYS  65   0.041   8.178   0.275
  470   1HD   LYS  65          1HD       LYS  65  -1.107  10.376   0.234
  471   2HD   LYS  65          2HD       LYS  65  -0.124  10.210   1.692
  472   1HE   LYS  65          1HE       LYS  65  -0.058  12.537   0.627
  473   2HE   LYS  65          2HE       LYS  65   1.548  11.799   0.769
  474   1HZ   LYS  65          1HZ       LYS  65   0.823  10.856  -1.711
  475   2HZ   LYS  65          2HZ       LYS  65   0.040  12.306  -1.758
  476   3HZ   LYS  65          3HZ       LYS  65   1.649  12.221  -1.515
  477    H    MET  66           H        MET  66   1.012   6.147   0.335
  478    HA   MET  66           HA       MET  66  -1.105   5.508   2.069
  479   1HB   MET  66          1HB       MET  66  -0.924   4.551  -0.173
  480   2HB   MET  66          2HB       MET  66   0.530   3.668   0.239
  481   1HG   MET  66          1HG       MET  66  -1.915   2.952   1.889
  482   2HG   MET  66          2HG       MET  66  -1.901   2.437   0.191
  483   1HE   MET  66          1HE       MET  66   0.009   1.037  -0.948
  484   2HE   MET  66          2HE       MET  66   0.308  -0.470  -0.033
  485   3HE   MET  66          3HE       MET  66  -1.363   0.138  -0.229
  486    H    MET  67           H        MET  67   2.230   4.420   2.581
  487    HA   MET  67           HA       MET  67   1.508   2.903   5.087
  488   1HB   MET  67          1HB       MET  67   3.327   1.942   3.827
  489   2HB   MET  67          2HB       MET  67   4.110   3.491   3.587
  490   1HG   MET  67          1HG       MET  67   5.183   3.504   5.662
  491   2HG   MET  67          2HG       MET  67   3.895   2.602   6.485
  492   1HE   MET  67          1HE       MET  67   6.147   2.505   3.449
  493   2HE   MET  67          2HE       MET  67   7.489   2.103   4.564
  494   3HE   MET  67          3HE       MET  67   6.894   0.876   3.405
  495    H    GLU  68           H        GLU  68   3.429   5.842   4.358
  496    HA   GLU  68           HA       GLU  68   3.828   6.558   7.157
  497   1HB   GLU  68          1HB       GLU  68   5.274   7.087   5.089
  498   2HB   GLU  68          2HB       GLU  68   4.241   8.454   4.802
  499   1HG   GLU  68          1HG       GLU  68   6.511   8.827   6.115
  500   2HG   GLU  68          2HG       GLU  68   5.091   9.681   6.690
  501    H    GLY  69           H        GLY  69   1.139   7.363   5.097
  502   1HA   GLY  69          1HA       GLY  69  -0.592   9.075   5.160
  503   2HA   GLY  69          2HA       GLY  69  -0.477   8.812   6.904
  504    H    VAL  70           H        VAL  70  -1.316  11.149   6.480
  505    HA   VAL  70           HA       VAL  70   0.689  13.293   6.206
  506    HB   VAL  70           HB       VAL  70  -2.171  13.270   7.275
  507   1HG1  VAL  70          1HG1      VAL  70  -0.320  15.756   7.100
  508   2HG1  VAL  70          2HG1      VAL  70  -2.083  15.811   7.356
  509   3HG1  VAL  70          3HG1      VAL  70  -1.042  15.083   8.582
  510   1HG2  VAL  70          1HG2      VAL  70  -1.888  13.149   4.765
  511   2HG2  VAL  70          2HG2      VAL  70  -2.656  14.656   5.242
  512   3HG2  VAL  70          3HG2      VAL  70  -0.929  14.645   4.775
  513    H    GLN  71           H        GLN  71   1.755  14.485   7.743
  514    HA   GLN  71           HA       GLN  71   2.284  13.434  10.505
  515   1HB   GLN  71          1HB       GLN  71   3.540  15.696  10.707
  516   2HB   GLN  71          2HB       GLN  71   4.160  14.473   9.600
  517   1HG   GLN  71          1HG       GLN  71   3.349  15.689   7.642
  518   2HG   GLN  71          2HG       GLN  71   2.268  16.709   8.574
  519   1HE2  GLN  71          1HE2      GLN  71   4.967  18.958   9.472
  520   2HE2  GLN  71          2HE2      GLN  71   3.371  18.246  10.074
  521   1HN   NH2  72          1HN       NH2  72   1.317  14.045  12.462
  522   2HN   NH2  72          2HN       NH2  72   0.011  15.251  12.606
   
  No H/Q in entry =         522
  Start of MODEL   18
    1   1H    ACE   1          1HH3      ACE   1  21.156   3.963  -6.251
    2   2H    ACE   1          2HH3      ACE   1  19.720   4.854  -6.869
    3   3H    ACE   1          3HH3      ACE   1  21.369   5.335  -7.361
    4    H    LYS   2           H        LYS   2  19.760   4.723  -4.198
    5    HA   LYS   2           HA       LYS   2  21.008   7.139  -2.994
    6   1HB   LYS   2          1HB       LYS   2  18.765   7.773  -4.387
    7   2HB   LYS   2          2HB       LYS   2  17.963   7.335  -2.894
    8   1HG   LYS   2          1HG       LYS   2  18.344   9.758  -2.771
    9   2HG   LYS   2          2HG       LYS   2  19.542   9.072  -1.703
   10   1HD   LYS   2          1HD       LYS   2  20.893   9.149  -4.223
   11   2HD   LYS   2          2HD       LYS   2  19.918  10.620  -4.243
   12   1HE   LYS   2          1HE       LYS   2  22.227  10.931  -3.207
   13   2HE   LYS   2          2HE       LYS   2  20.910  11.469  -2.147
   14   1HZ   LYS   2          1HZ       LYS   2  21.838   8.610  -1.962
   15   2HZ   LYS   2          2HZ       LYS   2  22.802   9.645  -1.292
   16   3HZ   LYS   2          3HZ       LYS   2  21.245   9.478  -0.732
   17    H    SER   3           H        SER   3  20.451   7.300  -0.639
   18    HA   SER   3           HA       SER   3  20.191   4.997   0.953
   19   1HB   SER   3          1HB       SER   3  19.810   7.912   1.305
   20   2HB   SER   3          2HB       SER   3  18.883   7.009   2.478
   21    HG   SER   3           HG       SER   3  21.666   7.124   2.044
   22    H    GLU   4           H        GLU   4  18.735   3.380   0.916
   23    HA   GLU   4           HA       GLU   4  15.838   3.710   0.813
   24   1HB   GLU   4          1HB       GLU   4  16.865   2.868  -1.915
   25   2HB   GLU   4          2HB       GLU   4  15.217   2.943  -1.339
   26   1HG   GLU   4          1HG       GLU   4  16.180   5.645  -1.048
   27   2HG   GLU   4          2HG       GLU   4  16.873   5.091  -2.567
   28    H    GLU   5           H        GLU   5  18.566   1.599   0.314
   29    HA   GLU   5           HA       GLU   5  17.962  -0.842  -0.278
   30   1HB   GLU   5          1HB       GLU   5  20.074  -0.660   0.589
   31   2HB   GLU   5          2HB       GLU   5  19.567  -0.014   2.120
   32   1HG   GLU   5          1HG       GLU   5  19.033  -2.242   3.017
   33   2HG   GLU   5          2HG       GLU   5  19.054  -2.988   1.429
   34    H    GLU   6           H        GLU   6  17.081  -0.210   3.132
   35    HA   GLU   6           HA       GLU   6  15.593  -2.787   3.197
   36   1HB   GLU   6          1HB       GLU   6  15.463  -1.481   5.757
   37   2HB   GLU   6          2HB       GLU   6  16.296  -2.932   5.289
   38   1HG   GLU   6          1HG       GLU   6  18.202  -1.189   4.396
   39   2HG   GLU   6          2HG       GLU   6  17.416  -0.083   5.509
   40    H    LEU   7           H        LEU   7  14.495   0.567   3.137
   41    HA   LEU   7           HA       LEU   7  11.627  -0.215   3.349
   42   1HB   LEU   7          1HB       LEU   7  13.052   2.301   2.350
   43   2HB   LEU   7          2HB       LEU   7  11.317   2.140   2.235
   44    HG   LEU   7           HG       LEU   7  12.395   1.610   4.992
   45   1HD1  LEU   7          1HD1      LEU   7  13.960   3.407   4.278
   46   2HD1  LEU   7          2HD1      LEU   7  12.604   4.439   3.756
   47   3HD1  LEU   7          3HD1      LEU   7  12.817   4.029   5.478
   48   1HD2  LEU   7          1HD2      LEU   7  10.111   3.418   3.903
   49   2HD2  LEU   7          2HD2      LEU   7   9.935   1.802   4.641
   50   3HD2  LEU   7          3HD2      LEU   7  10.482   3.159   5.629
   51    H    ALA   8           H        ALA   8  13.800   0.192   0.505
   52    HA   ALA   8           HA       ALA   8  11.979  -0.810  -1.487
   53   1HB   ALA   8          1HB       ALA   8  15.042  -1.168  -1.223
   54   2HB   ALA   8          2HB       ALA   8  14.106  -1.431  -2.708
   55   3HB   ALA   8          3HB       ALA   8  14.185   0.185  -1.997
   56    H    ASN   9           H        ASN   9  14.118  -2.779   0.601
   57    HA   ASN   9           HA       ASN   9  13.059  -5.457  -0.154
   58   1HB   ASN   9          1HB       ASN   9  14.631  -4.366   2.267
   59   2HB   ASN   9          2HB       ASN   9  14.028  -6.000   2.272
   60   1HD2  ASN   9          1HD2      ASN   9  17.530  -5.838   0.850
   61   2HD2  ASN   9          2HD2      ASN   9  16.763  -5.113   2.333
   62    H    ALA  10           H        ALA  10  12.134  -3.127   2.382
   63    HA   ALA  10           HA       ALA  10   9.877  -4.581   3.568
   64   1HB   ALA  10          1HB       ALA  10  11.016  -2.587   4.562
   65   2HB   ALA  10          2HB       ALA  10  10.351  -1.532   3.287
   66   3HB   ALA  10          3HB       ALA  10   9.265  -2.324   4.449
   67    H    PHE  11           H        PHE  11   9.866  -2.235   0.856
   68    HA   PHE  11           HA       PHE  11   6.991  -2.325   0.342
   69   1HB   PHE  11          1HB       PHE  11   8.521  -0.462  -0.314
   70   2HB   PHE  11          2HB       PHE  11   9.309  -1.476  -1.475
   71    HD1  PHE  11           HD1      PHE  11   5.892  -0.052  -0.740
   72    HD2  PHE  11           HD2      PHE  11   8.565  -1.521  -3.776
   73    HE1  PHE  11           HE1      PHE  11   4.343   0.718  -2.490
   74    HE2  PHE  11           HE2      PHE  11   6.997  -0.748  -5.512
   75    HZ   PHE  11           HZ       PHE  11   4.876   0.355  -4.868
   76    H    ARG  12           H        ARG  12   9.616  -4.052  -1.387
   77    HA   ARG  12           HA       ARG  12   7.865  -5.767  -2.969
   78   1HB   ARG  12          1HB       ARG  12  10.777  -6.117  -2.069
   79   2HB   ARG  12          2HB       ARG  12   9.977  -7.298  -3.100
   80   1HG   ARG  12          1HG       ARG  12  11.418  -5.165  -4.063
   81   2HG   ARG  12          2HG       ARG  12  10.122  -5.933  -4.989
   82   1HD   ARG  12          1HD       ARG  12   8.601  -4.160  -4.655
   83   2HD   ARG  12          2HD       ARG  12   9.287  -3.718  -3.067
   84    HE   ARG  12           HE       ARG  12  11.395  -2.876  -4.417
   85   1HH1  ARG  12          2HH1      ARG  12   8.245  -2.874  -5.862
   86   2HH1  ARG  12          1HH1      ARG  12   8.676  -1.504  -6.995
   87   1HH2  ARG  12          1HH2      ARG  12  11.853  -1.341  -5.682
   88   2HH2  ARG  12          2HH2      ARG  12  10.644  -0.677  -6.875
   89    H    ILE  13           H        ILE  13   9.042  -6.175   0.352
   90    HA   ILE  13           HA       ILE  13   8.471  -9.102   0.586
   91    HB   ILE  13           HB       ILE  13   9.233  -6.931   2.584
   92   1HG1  ILE  13          1HG1      ILE  13  11.008  -8.228   1.121
   93   2HG1  ILE  13          2HG1      ILE  13  11.317  -7.994   2.820
   94   1HG2  ILE  13          1HG2      ILE  13   7.580  -8.371   3.839
   95   2HG2  ILE  13          2HG2      ILE  13   8.469  -9.840   3.373
   96   3HG2  ILE  13          3HG2      ILE  13   9.197  -8.645   4.464
   97   1HD1  ILE  13          1HD1      ILE  13  10.562 -10.327   3.383
   98   2HD1  ILE  13          2HD1      ILE  13  10.292 -10.651   1.652
   99   3HD1  ILE  13          3HD1      ILE  13  11.926 -10.296   2.243
  100    H    PHE  14           H        PHE  14   6.691  -6.124   1.210
  101    HA   PHE  14           HA       PHE  14   4.259  -7.297   2.432
  102   1HB   PHE  14          1HB       PHE  14   4.857  -4.683   0.929
  103   2HB   PHE  14          2HB       PHE  14   3.213  -5.106   1.279
  104    HD1  PHE  14           HD1      PHE  14   4.035  -6.505   4.082
  105    HD2  PHE  14           HD2      PHE  14   4.703  -2.636   2.340
  106    HE1  PHE  14           HE1      PHE  14   4.248  -5.524   6.332
  107    HE2  PHE  14           HE2      PHE  14   4.938  -1.665   4.591
  108    HZ   PHE  14           HZ       PHE  14   4.735  -3.105   6.589
  109    H    ASP  15           H        ASP  15   5.129  -6.562  -0.947
  110    HA   ASP  15           HA       ASP  15   2.517  -7.075  -2.077
  111   1HB   ASP  15          1HB       ASP  15   4.227  -5.585  -3.084
  112   2HB   ASP  15          2HB       ASP  15   5.288  -6.942  -3.429
  113    H    LYS  16           H        LYS  16   1.415  -8.899  -2.328
  114    HA   LYS  16           HA       LYS  16   2.892 -11.553  -2.136
  115   1HB   LYS  16          1HB       LYS  16   0.325 -12.348  -1.681
  116   2HB   LYS  16          2HB       LYS  16   1.433 -11.903  -0.413
  117   1HG   LYS  16          1HG       LYS  16  -0.031 -10.260   0.280
  118   2HG   LYS  16          2HG       LYS  16   0.083  -9.463  -1.284
  119   1HD   LYS  16          1HD       LYS  16  -2.285  -9.982  -0.783
  120   2HD   LYS  16          2HD       LYS  16  -1.723 -10.834  -2.219
  121   1HE   LYS  16          1HE       LYS  16  -2.553 -12.759  -1.420
  122   2HE   LYS  16          2HE       LYS  16  -1.251 -12.781  -0.213
  123   1HZ   LYS  16          1HZ       LYS  16  -3.052 -10.944   0.901
  124   2HZ   LYS  16          2HZ       LYS  16  -4.080 -12.020   0.183
  125   3HZ   LYS  16          3HZ       LYS  16  -2.996 -12.542   1.279
  126    H    ASN  17           H        ASN  17   2.028  -9.655  -4.546
  127    HA   ASN  17           HA       ASN  17   1.428 -12.025  -6.372
  128   1HB   ASN  17          1HB       ASN  17  -0.459 -11.104  -7.258
  129   2HB   ASN  17          2HB       ASN  17  -0.557 -10.388  -5.672
  130   1HD2  ASN  17          1HD2      ASN  17   0.579  -7.251  -7.636
  131   2HD2  ASN  17          2HD2      ASN  17   1.508  -8.259  -6.479
  132    H    ALA  18           H        ALA  18   2.983  -8.814  -6.158
  133    HA   ALA  18           HA       ALA  18   5.216  -8.339  -6.960
  134   1HB   ALA  18          1HB       ALA  18   5.608 -10.779  -6.446
  135   2HB   ALA  18          2HB       ALA  18   5.031 -11.209  -8.071
  136   3HB   ALA  18          3HB       ALA  18   6.517 -10.260  -7.892
  137    H    ASP  19           H        ASP  19   2.904  -7.551  -8.547
  138    HA   ASP  19           HA       ASP  19   4.159  -7.136 -11.272
  139   1HB   ASP  19          1HB       ASP  19   1.858  -5.521 -10.012
  140   2HB   ASP  19          2HB       ASP  19   2.266  -5.650 -11.717
  141    H    GLY  20           H        GLY  20   4.334  -5.706  -8.106
  142   1HA   GLY  20          1HA       GLY  20   6.663  -4.192  -7.953
  143   2HA   GLY  20          2HA       GLY  20   5.752  -3.230  -9.128
  144    H    TYR  21           H        TYR  21   3.312  -4.292  -7.183
  145    HA   TYR  21           HA       TYR  21   3.212  -1.393  -6.136
  146   1HB   TYR  21          1HB       TYR  21   0.846  -3.108  -7.137
  147   2HB   TYR  21          2HB       TYR  21   0.724  -1.505  -6.474
  148    HD1  TYR  21           HD1      TYR  21   2.236  -3.389  -9.358
  149    HD2  TYR  21           HD2      TYR  21   0.966   0.448  -7.887
  150    HE1  TYR  21           HE1      TYR  21   2.478  -2.434 -11.615
  151    HE2  TYR  21           HE2      TYR  21   1.213   1.378 -10.164
  152    HH   TYR  21           HH       TYR  21   2.620   0.812 -12.202
  153    H    ILE  22           H        ILE  22   1.821  -1.020  -4.263
  154    HA   ILE  22           HA       ILE  22   1.123  -3.465  -2.542
  155    HB   ILE  22           HB       ILE  22   0.952  -0.540  -1.649
  156   1HG1  ILE  22          1HG1      ILE  22   3.417  -1.817  -2.101
  157   2HG1  ILE  22          2HG1      ILE  22   3.148  -0.441  -1.066
  158   1HG2  ILE  22          1HG2      ILE  22  -0.487  -2.132  -0.299
  159   2HG2  ILE  22          2HG2      ILE  22   0.923  -3.159   0.029
  160   3HG2  ILE  22          3HG2      ILE  22   0.821  -1.507   0.691
  161   1HD1  ILE  22          1HD1      ILE  22   2.777  -1.959   0.947
  162   2HD1  ILE  22          2HD1      ILE  22   3.251  -3.345  -0.068
  163   3HD1  ILE  22          3HD1      ILE  22   4.411  -2.037   0.242
  164    H    ASP  23           H        ASP  23  -0.956  -4.040  -2.195
  165    HA   ASP  23           HA       ASP  23  -3.018  -2.705  -4.029
  166   1HB   ASP  23          1HB       ASP  23  -3.867  -5.028  -4.537
  167   2HB   ASP  23          2HB       ASP  23  -2.209  -4.768  -5.061
  168    H    ILE  24           H        ILE  24  -5.302  -3.721  -3.503
  169    HA   ILE  24           HA       ILE  24  -6.068  -2.678  -0.785
  170    HB   ILE  24           HB       ILE  24  -7.421  -2.473  -3.046
  171   1HG1  ILE  24          1HG1      ILE  24  -9.635  -2.266  -1.800
  172   2HG1  ILE  24          2HG1      ILE  24  -8.928  -3.044  -0.410
  173   1HG2  ILE  24          1HG2      ILE  24  -7.732  -4.950  -3.501
  174   2HG2  ILE  24          2HG2      ILE  24  -8.625  -5.130  -1.978
  175   3HG2  ILE  24          3HG2      ILE  24  -9.289  -4.162  -3.318
  176   1HD1  ILE  24          1HD1      ILE  24  -7.211  -1.178  -0.174
  177   2HD1  ILE  24          2HD1      ILE  24  -8.067  -0.287  -1.456
  178   3HD1  ILE  24          3HD1      ILE  24  -8.903  -0.668   0.064
  179    H    GLU  25           H        GLU  25  -5.553  -5.809  -2.259
  180    HA   GLU  25           HA       GLU  25  -6.825  -7.392  -0.050
  181   1HB   GLU  25          1HB       GLU  25  -6.147  -7.906  -2.743
  182   2HB   GLU  25          2HB       GLU  25  -5.094  -8.958  -1.847
  183   1HG   GLU  25          1HG       GLU  25  -7.445  -9.887  -2.617
  184   2HG   GLU  25          2HG       GLU  25  -6.911 -10.294  -0.997
  185    H    GLU  26           H        GLU  26  -3.632  -6.198  -0.704
  186    HA   GLU  26           HA       GLU  26  -2.174  -7.932   1.266
  187   1HB   GLU  26          1HB       GLU  26  -0.243  -7.003   0.571
  188   2HB   GLU  26          2HB       GLU  26  -1.202  -6.749  -0.856
  189   1HG   GLU  26          1HG       GLU  26   0.137  -4.722  -0.456
  190   2HG   GLU  26          2HG       GLU  26  -1.538  -4.287  -0.174
  191    H    LEU  27           H        LEU  27  -3.389  -4.598   1.277
  192    HA   LEU  27           HA       LEU  27  -2.416  -3.467   3.724
  193   1HB   LEU  27          1HB       LEU  27  -3.767  -2.245   2.080
  194   2HB   LEU  27          2HB       LEU  27  -5.178  -3.214   2.411
  195    HG   LEU  27           HG       LEU  27  -5.043  -0.790   3.421
  196   1HD1  LEU  27          1HD1      LEU  27  -6.861  -2.428   3.919
  197   2HD1  LEU  27          2HD1      LEU  27  -5.894  -3.156   5.233
  198   3HD1  LEU  27          3HD1      LEU  27  -6.459  -1.464   5.339
  199   1HD2  LEU  27          1HD2      LEU  27  -3.411  -2.295   5.600
  200   2HD2  LEU  27          2HD2      LEU  27  -2.805  -0.975   4.555
  201   3HD2  LEU  27          3HD2      LEU  27  -4.084  -0.646   5.729
  202    H    GLY  28           H        GLY  28  -5.455  -5.344   3.495
  203   1HA   GLY  28          1HA       GLY  28  -5.934  -5.244   6.406
  204   2HA   GLY  28          2HA       GLY  28  -6.925  -6.131   5.242
  205    H    GLU  29           H        GLU  29  -4.895  -7.917   4.298
  206    HA   GLU  29           HA       GLU  29  -4.796 -10.033   6.386
  207   1HB   GLU  29          1HB       GLU  29  -4.910 -10.288   3.806
  208   2HB   GLU  29          2HB       GLU  29  -3.189 -10.045   3.794
  209   1HG   GLU  29          1HG       GLU  29  -4.053 -12.517   3.762
  210   2HG   GLU  29          2HG       GLU  29  -2.740 -12.173   4.874
  211    H    ILE  30           H        ILE  30  -2.400  -7.704   5.199
  212    HA   ILE  30           HA       ILE  30  -0.083  -8.742   6.811
  213    HB   ILE  30           HB       ILE  30  -0.529  -6.134   5.282
  214   1HG1  ILE  30          1HG1      ILE  30   0.236  -8.484   4.160
  215   2HG1  ILE  30          2HG1      ILE  30   0.823  -6.943   3.594
  216   1HG2  ILE  30          1HG2      ILE  30   0.855  -5.551   7.307
  217   2HG2  ILE  30          2HG2      ILE  30   2.002  -6.860   6.924
  218   3HG2  ILE  30          3HG2      ILE  30   1.831  -5.447   5.845
  219   1HD1  ILE  30          1HD1      ILE  30   2.481  -8.730   5.497
  220   2HD1  ILE  30          2HD1      ILE  30   2.704  -8.513   3.749
  221   3HD1  ILE  30          3HD1      ILE  30   2.960  -7.141   4.845
  222    H    LEU  31           H        LEU  31  -2.140  -5.824   7.103
  223    HA   LEU  31           HA       LEU  31  -1.211  -4.928   9.773
  224   1HB   LEU  31          1HB       LEU  31  -3.051  -3.445   9.823
  225   2HB   LEU  31          2HB       LEU  31  -2.526  -3.493   8.158
  226    HG   LEU  31           HG       LEU  31  -4.473  -5.294   7.826
  227   1HD1  LEU  31          1HD1      LEU  31  -5.373  -3.876  10.424
  228   2HD1  LEU  31          2HD1      LEU  31  -6.420  -4.867   9.372
  229   3HD1  LEU  31          3HD1      LEU  31  -5.044  -5.616  10.189
  230   1HD2  LEU  31          1HD2      LEU  31  -5.048  -2.272   8.239
  231   2HD2  LEU  31          2HD2      LEU  31  -4.574  -3.072   6.715
  232   3HD2  LEU  31          3HD2      LEU  31  -6.151  -3.418   7.432
  233    H    ARG  32           H        ARG  32  -3.704  -7.326   8.855
  234    HA   ARG  32           HA       ARG  32  -4.155  -8.196  11.653
  235   1HB   ARG  32          1HB       ARG  32  -5.690  -8.377   9.654
  236   2HB   ARG  32          2HB       ARG  32  -4.640  -9.605   8.948
  237   1HG   ARG  32          1HG       ARG  32  -5.247 -11.228  10.660
  238   2HG   ARG  32          2HG       ARG  32  -5.795  -9.963  11.776
  239   1HD   ARG  32          1HD       ARG  32  -7.197 -10.620   9.083
  240   2HD   ARG  32          2HD       ARG  32  -7.717 -11.269  10.655
  241    HE   ARG  32           HE       ARG  32  -7.914  -8.357   9.792
  242   1HH1  ARG  32          2HH1      ARG  32  -8.344 -10.621  12.392
  243   2HH1  ARG  32          1HH1      ARG  32  -9.403  -9.461  13.326
  244   1HH2  ARG  32          1HH2      ARG  32  -9.103  -7.075  10.876
  245   2HH2  ARG  32          2HH2      ARG  32  -9.807  -7.561  12.487
  246    H    ALA  33           H        ALA  33  -2.801 -10.340   9.163
  247    HA   ALA  33           HA       ALA  33  -1.746 -12.100  11.253
  248   1HB   ALA  33          1HB       ALA  33  -2.888 -12.890   9.187
  249   2HB   ALA  33          2HB       ALA  33  -1.549 -12.285   8.173
  250   3HB   ALA  33          3HB       ALA  33  -1.278 -13.618   9.317
  251    H    THR  34           H        THR  34   0.441 -13.367  10.108
  252    HA   THR  34           HA       THR  34   2.699 -11.418   9.616
  253    HB   THR  34           HB       THR  34   4.171 -12.375  11.396
  254    HG1  THR  34           HG1      THR  34   2.893 -13.303  13.197
  255   1HG2  THR  34          2HG2      THR  34   2.764 -10.251  11.799
  256   2HG2  THR  34          3HG2      THR  34   1.529 -11.270  12.584
  257   3HG2  THR  34          1HG2      THR  34   3.145 -11.135  13.300
  258    H    GLY  35           H        GLY  35   4.527 -12.400   8.688
  259   1HA   GLY  35          1HA       GLY  35   5.065 -15.246   8.554
  260   2HA   GLY  35          2HA       GLY  35   4.342 -14.833   6.995
  261   1HN   NH2  36          1HN       NH2  36   5.440 -13.066   5.643
  262   2HN   NH2  36          2HN       NH2  36   7.216 -12.935   5.746
  263   1H    ACE  37          1HH3      ACE  37 -15.950 -10.248  12.495
  264   2H    ACE  37          2HH3      ACE  37 -17.157  -9.074  11.867
  265   3H    ACE  37          3HH3      ACE  37 -17.012 -10.691  11.131
  266    H    VAL  38           H        VAL  38 -14.824  -7.913  11.854
  267    HA   VAL  38           HA       VAL  38 -13.583  -6.488  10.330
  268    HB   VAL  38           HB       VAL  38 -12.726  -8.825   8.674
  269   1HG1  VAL  38          1HG1      VAL  38 -11.190  -6.732  10.381
  270   2HG1  VAL  38          2HG1      VAL  38 -10.404  -7.974   9.378
  271   3HG1  VAL  38          3HG1      VAL  38 -11.390  -6.720   8.619
  272   1HG2  VAL  38          1HG2      VAL  38 -13.102 -10.042  10.864
  273   2HG2  VAL  38          2HG2      VAL  38 -11.365  -9.886  10.522
  274   3HG2  VAL  38          3HG2      VAL  38 -12.139  -8.816  11.717
  275    H    THR  39           H        THR  39 -15.245  -5.346   9.303
  276    HA   THR  39           HA       THR  39 -16.921  -6.644   7.104
  277    HB   THR  39           HB       THR  39 -18.590  -5.465   8.034
  278    HG1  THR  39           HG1      THR  39 -17.471  -3.778   6.469
  279   1HG2  THR  39          2HG2      THR  39 -16.481  -3.800   9.583
  280   2HG2  THR  39          3HG2      THR  39 -18.233  -3.790   9.896
  281   3HG2  THR  39          1HG2      THR  39 -17.291  -5.269  10.176
  282    H    GLU  40           H        GLU  40 -17.138  -5.566   5.067
  283    HA   GLU  40           HA       GLU  40 -14.486  -4.843   3.946
  284   1HB   GLU  40          1HB       GLU  40 -16.145  -6.440   2.916
  285   2HB   GLU  40          2HB       GLU  40 -17.141  -5.094   2.451
  286   1HG   GLU  40          1HG       GLU  40 -14.695  -4.351   1.260
  287   2HG   GLU  40          2HG       GLU  40 -14.582  -6.100   1.185
  288    H    GLU  41           H        GLU  41 -17.559  -3.009   4.065
  289    HA   GLU  41           HA       GLU  41 -16.524  -0.558   2.970
  290   1HB   GLU  41          1HB       GLU  41 -18.539   0.551   3.846
  291   2HB   GLU  41          2HB       GLU  41 -18.861  -0.904   2.953
  292   1HG   GLU  41          1HG       GLU  41 -19.380  -2.151   5.098
  293   2HG   GLU  41          2HG       GLU  41 -18.943  -0.748   6.055
  294    H    ASP  42           H        ASP  42 -16.167  -1.718   6.218
  295    HA   ASP  42           HA       ASP  42 -15.040   0.651   7.577
  296   1HB   ASP  42          1HB       ASP  42 -14.819  -2.373   7.881
  297   2HB   ASP  42          2HB       ASP  42 -13.628  -1.379   8.707
  298    H    ILE  43           H        ILE  43 -13.376  -1.884   5.657
  299    HA   ILE  43           HA       ILE  43 -10.702  -0.539   5.842
  300    HB   ILE  43           HB       ILE  43 -11.696  -3.000   4.352
  301   1HG1  ILE  43          1HG1      ILE  43  -9.221  -2.896   6.166
  302   2HG1  ILE  43          2HG1      ILE  43 -10.804  -2.919   6.894
  303   1HG2  ILE  43          1HG2      ILE  43 -10.120  -1.901   2.715
  304   2HG2  ILE  43          2HG2      ILE  43  -8.875  -1.753   3.971
  305   3HG2  ILE  43          3HG2      ILE  43  -9.376  -3.352   3.369
  306   1HD1  ILE  43          1HD1      ILE  43 -11.402  -5.076   5.713
  307   2HD1  ILE  43          2HD1      ILE  43  -9.740  -5.163   5.073
  308   3HD1  ILE  43          3HD1      ILE  43 -10.023  -5.216   6.826
  309    H    GLU  44           H        GLU  44 -13.329  -0.599   3.470
  310    HA   GLU  44           HA       GLU  44 -11.660   0.529   1.245
  311   1HB   GLU  44          1HB       GLU  44 -13.084  -0.575  -0.006
  312   2HB   GLU  44          2HB       GLU  44 -14.031  -1.019   1.381
  313   1HG   GLU  44          1HG       GLU  44 -15.802   0.096   0.421
  314   2HG   GLU  44          2HG       GLU  44 -14.997   1.616   0.767
  315    H    ASP  45           H        ASP  45 -14.073   1.795   3.469
  316    HA   ASP  45           HA       ASP  45 -13.993   4.626   2.452
  317   1HB   ASP  45          1HB       ASP  45 -15.080   3.374   5.051
  318   2HB   ASP  45          2HB       ASP  45 -15.192   5.091   4.686
  319    H    LEU  46           H        LEU  46 -12.199   2.706   4.807
  320    HA   LEU  46           HA       LEU  46 -10.414   4.901   5.750
  321   1HB   LEU  46          1HB       LEU  46 -10.845   2.752   6.954
  322   2HB   LEU  46          2HB       LEU  46  -9.990   1.853   5.724
  323    HG   LEU  46           HG       LEU  46  -7.835   3.110   6.326
  324   1HD1  LEU  46          1HD1      LEU  46  -9.089   5.104   7.345
  325   2HD1  LEU  46          2HD1      LEU  46  -9.393   4.112   8.778
  326   3HD1  LEU  46          3HD1      LEU  46  -7.712   4.510   8.317
  327   1HD2  LEU  46          1HD2      LEU  46  -8.516   0.800   7.388
  328   2HD2  LEU  46          2HD2      LEU  46  -7.319   1.781   8.286
  329   3HD2  LEU  46          3HD2      LEU  46  -9.000   1.752   8.822
  330    H    MET  47           H        MET  47  -9.579   2.293   3.401
  331    HA   MET  47           HA       MET  47  -7.339   3.659   2.200
  332   1HB   MET  47          1HB       MET  47  -8.490   1.197   1.846
  333   2HB   MET  47          2HB       MET  47  -9.065   1.973   0.380
  334   1HG   MET  47          1HG       MET  47  -6.110   2.375   0.886
  335   2HG   MET  47          2HG       MET  47  -6.623   0.714   0.538
  336   1HE   MET  47          1HE       MET  47  -4.685   2.598  -1.118
  337   2HE   MET  47          2HE       MET  47  -5.028   0.919  -1.626
  338   3HE   MET  47          3HE       MET  47  -5.169   2.248  -2.813
  339    H    LYS  48           H        LYS  48 -10.746   4.380   1.768
  340    HA   LYS  48           HA       LYS  48 -10.235   6.408  -0.383
  341   1HB   LYS  48          1HB       LYS  48 -12.327   5.317  -0.415
  342   2HB   LYS  48          2HB       LYS  48 -12.648   5.505   1.282
  343   1HG   LYS  48          1HG       LYS  48 -12.459   8.056  -0.452
  344   2HG   LYS  48          2HG       LYS  48 -13.814   7.007  -0.723
  345   1HD   LYS  48          1HD       LYS  48 -14.212   7.078   1.896
  346   2HD   LYS  48          2HD       LYS  48 -13.206   8.488   1.922
  347   1HE   LYS  48          1HE       LYS  48 -14.822   9.677   0.325
  348   2HE   LYS  48          2HE       LYS  48 -15.744   8.195   0.142
  349   1HZ   LYS  48          1HZ       LYS  48 -15.753   8.403   2.864
  350   2HZ   LYS  48          2HZ       LYS  48 -15.697   9.957   2.563
  351   3HZ   LYS  48          3HZ       LYS  48 -16.950   9.054   1.967
  352    H    ASP  49           H        ASP  49 -10.142   6.378   3.094
  353    HA   ASP  49           HA       ASP  49 -10.191   9.371   3.500
  354   1HB   ASP  49          1HB       ASP  49 -10.939   7.999   5.371
  355   2HB   ASP  49          2HB       ASP  49  -9.473   7.030   5.365
  356    H    SER  50           H        SER  50  -7.607   6.886   3.456
  357    HA   SER  50           HA       SER  50  -5.374   8.864   3.832
  358   1HB   SER  50          1HB       SER  50  -5.048   5.965   2.857
  359   2HB   SER  50          2HB       SER  50  -3.890   6.947   3.748
  360    HG   SER  50           HG       SER  50  -4.806   5.596   5.197
  361    H    ASP  51           H        ASP  51  -6.675   6.959   1.105
  362    HA   ASP  51           HA       ASP  51  -4.751   7.814  -0.890
  363   1HB   ASP  51          1HB       ASP  51  -6.321   5.757  -0.893
  364   2HB   ASP  51          2HB       ASP  51  -7.611   6.809  -1.460
  365    H    LYS  52           H        LYS  52  -4.768   9.258  -2.567
  366    HA   LYS  52           HA       LYS  52  -6.686  11.623  -2.584
  367   1HB   LYS  52          1HB       LYS  52  -4.130  10.890  -4.062
  368   2HB   LYS  52          2HB       LYS  52  -5.153  12.101  -4.770
  369   1HG   LYS  52          1HG       LYS  52  -3.191  12.977  -3.297
  370   2HG   LYS  52          2HG       LYS  52  -4.746  13.664  -2.949
  371   1HD   LYS  52          1HD       LYS  52  -5.090  12.472  -0.926
  372   2HD   LYS  52          2HD       LYS  52  -3.925  11.232  -1.253
  373   1HE   LYS  52          1HE       LYS  52  -2.096  12.567  -0.452
  374   2HE   LYS  52          2HE       LYS  52  -2.788  14.064  -1.074
  375   1HZ   LYS  52          1HZ       LYS  52  -4.670  13.409   0.876
  376   2HZ   LYS  52          2HZ       LYS  52  -3.272  12.893   1.599
  377   3HZ   LYS  52          3HZ       LYS  52  -3.476  14.429   1.087
  378    H    ASN  53           H        ASN  53  -5.696  10.447  -5.668
  379    HA   ASN  53           HA       ASN  53  -8.408  10.976  -6.538
  380   1HB   ASN  53          1HB       ASN  53  -7.484  10.481  -8.875
  381   2HB   ASN  53          2HB       ASN  53  -6.543  11.622  -7.953
  382   1HD2  ASN  53          1HD2      ASN  53  -4.683   8.431  -9.409
  383   2HD2  ASN  53          2HD2      ASN  53  -6.377   8.914  -9.866
  384    H    ASN  54           H        ASN  54  -7.062   7.954  -5.648
  385    HA   ASN  54           HA       ASN  54  -7.858   5.687  -5.699
  386   1HB   ASN  54          1HB       ASN  54 -10.445   7.339  -6.017
  387   2HB   ASN  54          2HB       ASN  54 -10.509   5.599  -6.007
  388   1HD2  ASN  54          1HD2      ASN  54 -10.250   5.458  -2.481
  389   2HD2  ASN  54          2HD2      ASN  54 -10.503   4.571  -4.050
  390    H    ASP  55           H        ASP  55  -6.529   5.651  -7.745
  391    HA   ASP  55           HA       ASP  55  -8.200   4.429  -9.999
  392   1HB   ASP  55          1HB       ASP  55  -5.442   5.578  -9.843
  393   2HB   ASP  55          2HB       ASP  55  -5.488   4.037 -10.688
  394    H    GLY  56           H        GLY  56  -7.398   3.509  -7.024
  395   1HA   GLY  56          1HA       GLY  56  -8.237   1.327  -6.261
  396   2HA   GLY  56          2HA       GLY  56  -7.831   0.640  -7.839
  397    H    ARG  57           H        ARG  57  -5.057   2.141  -7.004
  398    HA   ARG  57           HA       ARG  57  -3.771  -0.158  -5.491
  399   1HB   ARG  57          1HB       ARG  57  -3.560   0.253  -8.522
  400   2HB   ARG  57          2HB       ARG  57  -2.303  -0.599  -7.627
  401   1HG   ARG  57          1HG       ARG  57  -4.272  -2.116  -6.680
  402   2HG   ARG  57          2HG       ARG  57  -5.280  -1.386  -7.928
  403   1HD   ARG  57          1HD       ARG  57  -2.577  -2.665  -8.696
  404   2HD   ARG  57          2HD       ARG  57  -3.989  -3.678  -8.400
  405    HE   ARG  57           HE       ARG  57  -4.374  -1.320 -10.321
  406   1HH1  ARG  57          2HH1      ARG  57  -4.296  -4.760  -9.933
  407   2HH1  ARG  57          1HH1      ARG  57  -5.327  -5.004 -11.438
  408   1HH2  ARG  57          1HH2      ARG  57  -5.326  -1.632 -12.040
  409   2HH2  ARG  57          2HH2      ARG  57  -5.775  -3.301 -12.645
  410    H    ILE  58           H        ILE  58  -1.778   0.199  -4.724
  411    HA   ILE  58           HA       ILE  58  -0.908   3.112  -4.711
  412    HB   ILE  58           HB       ILE  58  -0.689   0.913  -2.598
  413   1HG1  ILE  58          1HG1      ILE  58  -2.228   3.598  -2.610
  414   2HG1  ILE  58          2HG1      ILE  58  -2.939   2.016  -2.761
  415   1HG2  ILE  58          1HG2      ILE  58   1.415   2.316  -2.457
  416   2HG2  ILE  58          2HG2      ILE  58   0.442   3.797  -2.360
  417   3HG2  ILE  58          3HG2      ILE  58   0.393   2.593  -1.051
  418   1HD1  ILE  58          1HD1      ILE  58  -2.172   1.361  -0.435
  419   2HD1  ILE  58          2HD1      ILE  58  -1.556   3.018  -0.201
  420   3HD1  ILE  58          3HD1      ILE  58  -3.292   2.746  -0.468
  421    H    ASP  59           H        ASP  59   0.930   3.725  -5.550
  422    HA   ASP  59           HA       ASP  59   3.203   1.763  -6.069
  423   1HB   ASP  59          1HB       ASP  59   4.052   3.470  -7.665
  424   2HB   ASP  59          2HB       ASP  59   2.372   3.074  -7.999
  425    H    PHE  60           H        PHE  60   5.456   3.022  -6.002
  426    HA   PHE  60           HA       PHE  60   6.080   2.632  -3.186
  427   1HB   PHE  60          1HB       PHE  60   7.585   2.121  -5.188
  428   2HB   PHE  60          2HB       PHE  60   7.921   3.811  -5.355
  429    HD1  PHE  60           HD1      PHE  60   8.509   0.902  -3.059
  430    HD2  PHE  60           HD2      PHE  60   9.532   4.971  -3.979
  431    HE1  PHE  60           HE1      PHE  60  10.483   0.748  -1.585
  432    HE2  PHE  60           HE2      PHE  60  11.515   4.798  -2.544
  433    HZ   PHE  60           HZ       PHE  60  12.021   2.678  -1.374
  434    H    ASP  61           H        ASP  61   5.808   5.654  -5.016
  435    HA   ASP  61           HA       ASP  61   6.398   7.693  -3.040
  436   1HB   ASP  61          1HB       ASP  61   3.834   7.827  -4.827
  437   2HB   ASP  61          2HB       ASP  61   5.097   8.992  -4.511
  438    H    GLU  62           H        GLU  62   3.137   6.526  -3.667
  439    HA   GLU  62           HA       GLU  62   1.840   7.345  -1.169
  440   1HB   GLU  62          1HB       GLU  62   0.978   4.975  -2.880
  441   2HB   GLU  62          2HB       GLU  62  -0.009   5.870  -1.766
  442   1HG   GLU  62          1HG       GLU  62   0.307   7.966  -3.316
  443   2HG   GLU  62          2HG       GLU  62   1.097   6.909  -4.471
  444    H    PHE  63           H        PHE  63   4.058   4.654  -1.559
  445    HA   PHE  63           HA       PHE  63   3.409   3.274   1.035
  446   1HB   PHE  63          1HB       PHE  63   4.846   2.350  -0.926
  447   2HB   PHE  63          2HB       PHE  63   6.113   3.419  -0.422
  448    HD1  PHE  63           HD1      PHE  63   3.949   1.329   1.932
  449    HD2  PHE  63           HD2      PHE  63   7.803   1.836   0.085
  450    HE1  PHE  63           HE1      PHE  63   4.949  -0.239   3.547
  451    HE2  PHE  63           HE2      PHE  63   8.771   0.269   1.687
  452    HZ   PHE  63           HZ       PHE  63   7.364  -0.756   3.440
  453    H    LEU  64           H        LEU  64   5.969   5.593   0.098
  454    HA   LEU  64           HA       LEU  64   7.062   6.081   2.745
  455   1HB   LEU  64          1HB       LEU  64   7.043   7.854   0.248
  456   2HB   LEU  64          2HB       LEU  64   7.908   8.307   1.696
  457    HG   LEU  64           HG       LEU  64   8.467   5.746   0.079
  458   1HD1  LEU  64          1HD1      LEU  64   9.919   8.480   0.093
  459   2HD1  LEU  64          2HD1      LEU  64  10.556   6.991  -0.657
  460   3HD1  LEU  64          3HD1      LEU  64   9.054   7.698  -1.259
  461   1HD2  LEU  64          1HD2      LEU  64  10.030   7.022   2.442
  462   2HD2  LEU  64          2HD2      LEU  64   9.219   5.429   2.428
  463   3HD2  LEU  64          3HD2      LEU  64  10.640   5.702   1.412
  464    H    LYS  65           H        LYS  65   4.270   7.657   1.224
  465    HA   LYS  65           HA       LYS  65   3.682   9.343   3.648
  466   1HB   LYS  65          1HB       LYS  65   2.059   8.659   1.130
  467   2HB   LYS  65          2HB       LYS  65   1.733  10.012   2.195
  468   1HG   LYS  65          1HG       LYS  65   4.321  10.652   1.408
  469   2HG   LYS  65          2HG       LYS  65   3.852   9.624   0.040
  470   1HD   LYS  65          1HD       LYS  65   1.749  11.580   0.927
  471   2HD   LYS  65          2HD       LYS  65   3.188  12.354   0.256
  472   1HE   LYS  65          1HE       LYS  65   2.796  10.862  -1.875
  473   2HE   LYS  65          2HE       LYS  65   1.299  10.302  -1.108
  474   1HZ   LYS  65          1HZ       LYS  65   0.676  12.845  -0.891
  475   2HZ   LYS  65          2HZ       LYS  65   1.945  13.171  -1.861
  476   3HZ   LYS  65          3HZ       LYS  65   0.724  12.304  -2.449
  477    H    MET  66           H        MET  66   2.189   6.365   2.218
  478    HA   MET  66           HA       MET  66   0.460   5.601   4.317
  479   1HB   MET  66          1HB       MET  66   0.452   4.256   2.363
  480   2HB   MET  66          2HB       MET  66   2.186   4.014   2.379
  481   1HG   MET  66          1HG       MET  66   2.094   2.381   4.207
  482   2HG   MET  66          2HG       MET  66   0.379   2.712   4.516
  483   1HE   MET  66          1HE       MET  66   1.932  -0.103   3.882
  484   2HE   MET  66          2HE       MET  66   1.884  -0.628   2.173
  485   3HE   MET  66          3HE       MET  66   2.981   0.696   2.669
  486    H    MET  67           H        MET  67   3.997   5.511   4.574
  487    HA   MET  67           HA       MET  67   3.823   4.736   7.504
  488   1HB   MET  67          1HB       MET  67   6.127   6.082   5.943
  489   2HB   MET  67          2HB       MET  67   6.207   5.527   7.603
  490   1HG   MET  67          1HG       MET  67   5.360   3.178   6.283
  491   2HG   MET  67          2HG       MET  67   6.471   3.910   5.110
  492   1HE   MET  67          1HE       MET  67   8.024   2.203   5.117
  493   2HE   MET  67          2HE       MET  67   9.214   1.786   6.388
  494   3HE   MET  67          3HE       MET  67   7.575   1.071   6.433
  495    H    GLU  68           H        GLU  68   4.404   7.749   5.652
  496    HA   GLU  68           HA       GLU  68   4.883   9.232   8.158
  497   1HB   GLU  68          1HB       GLU  68   5.149   9.954   5.224
  498   2HB   GLU  68          2HB       GLU  68   5.326  11.186   6.435
  499   1HG   GLU  68          1HG       GLU  68   7.188   9.516   7.488
  500   2HG   GLU  68          2HG       GLU  68   7.170   8.783   5.895
  501    H    GLY  69           H        GLY  69   1.921   8.686   6.792
  502   1HA   GLY  69          1HA       GLY  69   0.807  11.435   6.306
  503   2HA   GLY  69          2HA       GLY  69  -0.123   9.932   6.343
  504    H    VAL  70           H        VAL  70  -0.974   9.167   8.317
  505    HA   VAL  70           HA       VAL  70  -2.300  11.502   9.566
  506    HB   VAL  70           HB       VAL  70  -2.733   8.522  10.160
  507   1HG1  VAL  70          1HG1      VAL  70  -4.554  10.956  10.788
  508   2HG1  VAL  70          2HG1      VAL  70  -5.031   9.249  10.971
  509   3HG1  VAL  70          3HG1      VAL  70  -3.744   9.912  11.981
  510   1HG2  VAL  70          1HG2      VAL  70  -3.205   9.066   7.737
  511   2HG2  VAL  70          2HG2      VAL  70  -4.685   8.659   8.592
  512   3HG2  VAL  70          3HG2      VAL  70  -4.314  10.368   8.217
  513    H    GLN  71           H        GLN  71  -1.455  12.622  11.239
  514    HA   GLN  71           HA       GLN  71   0.206  11.364  13.389
  515   1HB   GLN  71          1HB       GLN  71   1.886  11.175  11.746
  516   2HB   GLN  71          2HB       GLN  71   1.517  12.731  11.006
  517   1HG   GLN  71          1HG       GLN  71   2.873  13.903  12.501
  518   2HG   GLN  71          2HG       GLN  71   2.400  12.957  13.900
  519   1HE2  GLN  71          1HE2      GLN  71   5.633  11.667  11.729
  520   2HE2  GLN  71          2HE2      GLN  71   4.239  12.537  10.881
  521   1HN   NH2  72          1HN       NH2  72   0.979  14.676  12.189
  522   2HN   NH2  72          2HN       NH2  72   0.101  15.564  13.464
   
  No H/Q in entry =         522
  Start of MODEL   19
    1   1H    ACE   1          1HH3      ACE   1  22.147  11.037  -5.060
    2   2H    ACE   1          2HH3      ACE   1  21.656   9.817  -6.288
    3   3H    ACE   1          3HH3      ACE   1  20.742  11.341  -6.105
    4    H    LYS   2           H        LYS   2  21.856   8.759  -3.896
    5    HA   LYS   2           HA       LYS   2  20.875   7.800  -1.950
    6   1HB   LYS   2          1HB       LYS   2  20.233   9.479  -0.659
    7   2HB   LYS   2          2HB       LYS   2  20.031  10.547  -2.031
    8   1HG   LYS   2          1HG       LYS   2  17.591  10.081  -2.108
    9   2HG   LYS   2          2HG       LYS   2  17.768   8.598  -1.206
   10   1HD   LYS   2          1HD       LYS   2  16.891   9.985   0.472
   11   2HD   LYS   2          2HD       LYS   2  18.610  10.215   0.799
   12   1HE   LYS   2          1HE       LYS   2  17.349  12.061  -1.277
   13   2HE   LYS   2          2HE       LYS   2  16.903  12.362   0.412
   14   1HZ   LYS   2          1HZ       LYS   2  19.619  12.139   0.717
   15   2HZ   LYS   2          2HZ       LYS   2  19.593  12.766  -0.822
   16   3HZ   LYS   2          3HZ       LYS   2  18.901  13.503   0.441
   17    H    SER   3           H        SER   3  19.956   5.910  -2.182
   18    HA   SER   3           HA       SER   3  17.886   5.557  -4.386
   19   1HB   SER   3          1HB       SER   3  19.654   3.297  -3.452
   20   2HB   SER   3          2HB       SER   3  19.162   3.709  -5.077
   21    HG   SER   3           HG       SER   3  21.364   4.457  -3.657
   22    H    GLU   4           H        GLU   4  17.768   2.560  -3.418
   23    HA   GLU   4           HA       GLU   4  15.362   2.910  -1.674
   24   1HB   GLU   4          1HB       GLU   4  14.726   2.049  -4.510
   25   2HB   GLU   4          2HB       GLU   4  13.663   2.194  -3.131
   26   1HG   GLU   4          1HG       GLU   4  13.100   4.307  -3.867
   27   2HG   GLU   4          2HG       GLU   4  14.729   4.861  -3.499
   28    H    GLU   5           H        GLU   5  17.851   1.399  -1.720
   29    HA   GLU   5           HA       GLU   5  17.762  -1.168  -2.792
   30   1HB   GLU   5          1HB       GLU   5  19.834  -0.453  -2.088
   31   2HB   GLU   5          2HB       GLU   5  19.319  -0.018  -0.487
   32   1HG   GLU   5          1HG       GLU   5  20.442  -1.933   0.175
   33   2HG   GLU   5          2HG       GLU   5  19.019  -2.814  -0.350
   34    H    GLU   6           H        GLU   6  17.142  -0.834   0.717
   35    HA   GLU   6           HA       GLU   6  15.924  -3.560   0.755
   36   1HB   GLU   6          1HB       GLU   6  17.486  -3.365   2.408
   37   2HB   GLU   6          2HB       GLU   6  17.115  -1.712   2.793
   38   1HG   GLU   6          1HG       GLU   6  15.123  -3.935   3.578
   39   2HG   GLU   6          2HG       GLU   6  16.549  -3.645   4.557
   40    H    LEU   7           H        LEU   7  14.642  -0.349   0.939
   41    HA   LEU   7           HA       LEU   7  11.808  -1.117   1.651
   42   1HB   LEU   7          1HB       LEU   7  12.972   1.378   0.297
   43   2HB   LEU   7          2HB       LEU   7  11.274   1.176   0.648
   44    HG   LEU   7           HG       LEU   7  13.554   1.783   2.536
   45   1HD1  LEU   7          1HD1      LEU   7  12.002   3.568   1.763
   46   2HD1  LEU   7          2HD1      LEU   7  10.595   2.679   2.401
   47   3HD1  LEU   7          3HD1      LEU   7  11.836   3.322   3.508
   48   1HD2  LEU   7          1HD2      LEU   7  11.021   0.239   3.470
   49   2HD2  LEU   7          2HD2      LEU   7  12.715  -0.308   3.602
   50   3HD2  LEU   7          3HD2      LEU   7  12.169   1.078   4.548
   51    H    ALA   8           H        ALA   8  13.661  -0.786  -1.414
   52    HA   ALA   8           HA       ALA   8  11.571  -1.809  -3.148
   53   1HB   ALA   8          1HB       ALA   8  14.653  -1.988  -3.373
   54   2HB   ALA   8          2HB       ALA   8  13.512  -2.284  -4.701
   55   3HB   ALA   8          3HB       ALA   8  13.609  -0.677  -3.972
   56    H    ASN   9           H        ASN   9  14.362  -3.897  -2.062
   57    HA   ASN   9           HA       ASN   9  13.301  -6.450  -2.092
   58   1HB   ASN   9          1HB       ASN   9  14.837  -5.088   0.220
   59   2HB   ASN   9          2HB       ASN   9  14.459  -6.788   0.259
   60   1HD2  ASN   9          1HD2      ASN   9  17.851  -6.358  -1.230
   61   2HD2  ASN   9          2HD2      ASN   9  17.045  -5.905   0.337
   62    H    ALA  10           H        ALA  10  12.421  -4.189   0.544
   63    HA   ALA  10           HA       ALA  10  10.386  -5.933   1.775
   64   1HB   ALA  10          1HB       ALA  10  11.695  -4.167   2.969
   65   2HB   ALA  10          2HB       ALA  10  10.852  -2.884   2.062
   66   3HB   ALA  10          3HB       ALA  10   9.952  -3.921   3.190
   67    H    PHE  11           H        PHE  11   9.938  -3.028  -0.305
   68    HA   PHE  11           HA       PHE  11   7.056  -3.196  -0.596
   69   1HB   PHE  11          1HB       PHE  11   8.433  -1.193  -1.128
   70   2HB   PHE  11          2HB       PHE  11   9.168  -2.003  -2.470
   71    HD1  PHE  11           HD1      PHE  11   7.985  -2.333  -4.628
   72    HD2  PHE  11           HD2      PHE  11   6.032  -0.314  -1.369
   73    HE1  PHE  11           HE1      PHE  11   6.364  -1.350  -6.196
   74    HE2  PHE  11           HE2      PHE  11   4.402   0.637  -2.951
   75    HZ   PHE  11           HZ       PHE  11   4.621   0.185  -5.375
   76    H    ARG  12           H        ARG  12   9.558  -4.664  -2.694
   77    HA   ARG  12           HA       ARG  12   7.677  -6.220  -4.318
   78   1HB   ARG  12          1HB       ARG  12   9.505  -6.883  -5.468
   79   2HB   ARG  12          2HB       ARG  12  10.353  -5.671  -4.514
   80   1HG   ARG  12          1HG       ARG  12  11.207  -7.368  -2.943
   81   2HG   ARG  12          2HG       ARG  12  10.126  -8.616  -3.576
   82   1HD   ARG  12          1HD       ARG  12  11.598  -7.716  -5.877
   83   2HD   ARG  12          2HD       ARG  12  12.800  -7.782  -4.559
   84    HE   ARG  12           HE       ARG  12  12.474 -10.193  -4.374
   85   1HH1  ARG  12          2HH1      ARG  12  10.127  -8.881  -6.560
   86   2HH1  ARG  12          1HH1      ARG  12   9.645 -10.538  -7.166
   87   1HH2  ARG  12          1HH2      ARG  12  11.917 -12.035  -5.057
   88   2HH2  ARG  12          2HH2      ARG  12  10.636 -12.243  -6.339
   89    H    ILE  13           H        ILE  13   9.206  -6.948  -1.211
   90    HA   ILE  13           HA       ILE  13   8.490  -9.841  -1.011
   91    HB   ILE  13           HB       ILE  13   9.299  -7.722   1.024
   92   1HG1  ILE  13          1HG1      ILE  13  10.977  -9.244  -0.479
   93   2HG1  ILE  13          2HG1      ILE  13  11.367  -8.736   1.141
   94   1HG2  ILE  13          1HG2      ILE  13   7.566  -9.110   2.228
   95   2HG2  ILE  13          2HG2      ILE  13   8.406 -10.607   1.762
   96   3HG2  ILE  13          3HG2      ILE  13   9.157  -9.453   2.882
   97   1HD1  ILE  13          1HD1      ILE  13  10.613 -10.929   2.118
   98   2HD1  ILE  13          2HD1      ILE  13  10.259 -11.531   0.480
   99   3HD1  ILE  13          3HD1      ILE  13  11.924 -11.113   0.930
  100    H    PHE  14           H        PHE  14   6.836  -6.799  -0.419
  101    HA   PHE  14           HA       PHE  14   4.352  -7.874   0.903
  102   1HB   PHE  14          1HB       PHE  14   5.116  -5.232  -0.469
  103   2HB   PHE  14          2HB       PHE  14   3.448  -5.581  -0.159
  104    HD1  PHE  14           HD1      PHE  14   4.154  -7.145   2.588
  105    HD2  PHE  14           HD2      PHE  14   5.045  -3.243   1.030
  106    HE1  PHE  14           HE1      PHE  14   4.405  -6.281   4.881
  107    HE2  PHE  14           HE2      PHE  14   5.317  -2.391   3.324
  108    HZ   PHE  14           HZ       PHE  14   5.007  -3.903   5.253
  109    H    ASP  15           H        ASP  15   4.584  -6.302  -2.299
  110    HA   ASP  15           HA       ASP  15   2.214  -7.510  -3.497
  111   1HB   ASP  15          1HB       ASP  15   3.320  -5.418  -4.288
  112   2HB   ASP  15          2HB       ASP  15   4.737  -6.314  -4.812
  113    H    LYS  16           H        LYS  16   1.823  -9.628  -3.953
  114    HA   LYS  16           HA       LYS  16   4.155 -11.517  -3.507
  115   1HB   LYS  16          1HB       LYS  16   2.247 -13.296  -3.293
  116   2HB   LYS  16          2HB       LYS  16   2.536 -12.199  -1.972
  117   1HG   LYS  16          1HG       LYS  16   0.497 -10.979  -3.690
  118   2HG   LYS  16          2HG       LYS  16   0.109 -12.690  -3.575
  119   1HD   LYS  16          1HD       LYS  16   0.815 -11.587  -0.904
  120   2HD   LYS  16          2HD       LYS  16  -0.452 -10.639  -1.680
  121   1HE   LYS  16          1HE       LYS  16  -1.229 -12.600  -0.143
  122   2HE   LYS  16          2HE       LYS  16  -2.075 -12.361  -1.685
  123   1HZ   LYS  16          1HZ       LYS  16   0.383 -14.147  -1.664
  124   2HZ   LYS  16          2HZ       LYS  16  -1.071 -14.765  -1.181
  125   3HZ   LYS  16          3HZ       LYS  16  -0.906 -14.163  -2.685
  126    H    ASN  17           H        ASN  17   2.975 -10.071  -6.165
  127    HA   ASN  17           HA       ASN  17   4.230 -12.352  -7.758
  128   1HB   ASN  17          1HB       ASN  17   2.557 -11.406  -9.663
  129   2HB   ASN  17          2HB       ASN  17   2.154 -12.719  -8.591
  130   1HD2  ASN  17          1HD2      ASN  17  -0.266  -9.598  -8.695
  131   2HD2  ASN  17          2HD2      ASN  17   1.259  -9.564  -9.640
  132    H    ALA  18           H        ALA  18   3.591  -8.838  -7.720
  133    HA   ALA  18           HA       ALA  18   5.324  -7.162  -7.701
  134   1HB   ALA  18          1HB       ALA  18   6.721  -9.074  -6.829
  135   2HB   ALA  18          2HB       ALA  18   7.114  -9.541  -8.498
  136   3HB   ALA  18          3HB       ALA  18   7.678  -7.984  -7.870
  137    H    ASP  19           H        ASP  19   3.738  -7.165  -9.977
  138    HA   ASP  19           HA       ASP  19   5.473  -6.174 -12.228
  139   1HB   ASP  19          1HB       ASP  19   2.513  -6.140 -11.549
  140   2HB   ASP  19          2HB       ASP  19   3.088  -4.879 -12.631
  141    H    GLY  20           H        GLY  20   5.174  -5.150  -9.082
  142   1HA   GLY  20          1HA       GLY  20   6.536  -3.312  -8.194
  143   2HA   GLY  20          2HA       GLY  20   6.443  -2.507  -9.765
  144    H    TYR  21           H        TYR  21   3.313  -3.304  -8.836
  145    HA   TYR  21           HA       TYR  21   2.806  -0.577  -7.500
  146   1HB   TYR  21          1HB       TYR  21   0.833  -2.367  -9.059
  147   2HB   TYR  21          2HB       TYR  21   0.403  -0.893  -8.244
  148    HD1  TYR  21           HD1      TYR  21   3.641  -0.326  -9.618
  149    HD2  TYR  21           HD2      TYR  21  -0.509  -0.520 -10.731
  150    HE1  TYR  21           HE1      TYR  21   4.126   0.930 -11.681
  151    HE2  TYR  21           HE2      TYR  21   0.006   0.744 -12.792
  152    HH   TYR  21           HH       TYR  21   3.063   2.250 -13.315
  153    H    ILE  22           H        ILE  22   1.258  -0.464  -5.752
  154    HA   ILE  22           HA       ILE  22   0.366  -3.090  -4.457
  155    HB   ILE  22           HB       ILE  22  -0.101  -0.329  -3.246
  156   1HG1  ILE  22          1HG1      ILE  22   2.489  -0.913  -3.729
  157   2HG1  ILE  22          2HG1      ILE  22   1.983  -0.138  -2.252
  158   1HG2  ILE  22          1HG2      ILE  22  -1.368  -2.258  -2.198
  159   2HG2  ILE  22          2HG2      ILE  22   0.152  -3.130  -1.920
  160   3HG2  ILE  22          3HG2      ILE  22  -0.199  -1.609  -1.060
  161   1HD1  ILE  22          1HD1      ILE  22   1.943  -2.373  -1.029
  162   2HD1  ILE  22          2HD1      ILE  22   2.653  -3.128  -2.479
  163   3HD1  ILE  22          3HD1      ILE  22   3.549  -1.866  -1.609
  164    H    ASP  23           H        ASP  23  -1.852  -3.404  -3.902
  165    HA   ASP  23           HA       ASP  23  -3.923  -1.679  -5.357
  166   1HB   ASP  23          1HB       ASP  23  -5.079  -3.823  -6.044
  167   2HB   ASP  23          2HB       ASP  23  -3.483  -3.628  -6.754
  168    H    ILE  24           H        ILE  24  -6.201  -2.197  -4.661
  169    HA   ILE  24           HA       ILE  24  -6.335  -1.557  -1.723
  170    HB   ILE  24           HB       ILE  24  -7.703  -0.453  -3.705
  171   1HG1  ILE  24          1HG1      ILE  24  -8.603  -0.878  -0.821
  172   2HG1  ILE  24          2HG1      ILE  24  -8.060   0.579  -1.607
  173   1HG2  ILE  24          1HG2      ILE  24  -8.924  -2.537  -4.487
  174   2HG2  ILE  24          2HG2      ILE  24  -9.686  -2.703  -2.893
  175   3HG2  ILE  24          3HG2      ILE  24 -10.071  -1.321  -3.950
  176   1HD1  ILE  24          1HD1      ILE  24 -10.225   0.729  -2.940
  177   2HD1  ILE  24          2HD1      ILE  24 -10.859  -0.631  -1.982
  178   3HD1  ILE  24          3HD1      ILE  24 -10.424   0.890  -1.175
  179    H    GLU  25           H        GLU  25  -6.982  -4.326  -3.734
  180    HA   GLU  25           HA       GLU  25  -8.392  -5.965  -1.656
  181   1HB   GLU  25          1HB       GLU  25  -6.977  -7.049  -4.122
  182   2HB   GLU  25          2HB       GLU  25  -8.180  -7.850  -3.158
  183   1HG   GLU  25          1HG       GLU  25  -9.797  -5.823  -3.964
  184   2HG   GLU  25          2HG       GLU  25  -8.593  -5.604  -5.221
  185    H    GLU  26           H        GLU  26  -5.050  -5.440  -2.593
  186    HA   GLU  26           HA       GLU  26  -3.884  -7.529  -0.791
  187   1HB   GLU  26          1HB       GLU  26  -2.646  -5.321  -2.470
  188   2HB   GLU  26          2HB       GLU  26  -1.681  -6.212  -1.332
  189   1HG   GLU  26          1HG       GLU  26  -2.413  -8.403  -2.610
  190   2HG   GLU  26          2HG       GLU  26  -3.102  -7.355  -3.837
  191    H    LEU  27           H        LEU  27  -4.865  -4.233  -0.377
  192    HA   LEU  27           HA       LEU  27  -3.137  -3.291   1.711
  193   1HB   LEU  27          1HB       LEU  27  -4.659  -1.850   0.441
  194   2HB   LEU  27          2HB       LEU  27  -6.071  -2.605   1.133
  195    HG   LEU  27           HG       LEU  27  -4.994  -1.733   3.482
  196   1HD1  LEU  27          1HD1      LEU  27  -2.920  -0.829   2.425
  197   2HD1  LEU  27          2HD1      LEU  27  -3.879   0.299   1.425
  198   3HD1  LEU  27          3HD1      LEU  27  -3.852   0.448   3.206
  199   1HD2  LEU  27          1HD2      LEU  27  -6.525   0.143   1.530
  200   2HD2  LEU  27          2HD2      LEU  27  -7.264  -1.049   2.640
  201   3HD2  LEU  27          3HD2      LEU  27  -6.389   0.337   3.300
  202    H    GLY  28           H        GLY  28  -6.110  -5.190   2.137
  203   1HA   GLY  28          1HA       GLY  28  -6.062  -5.165   5.089
  204   2HA   GLY  28          2HA       GLY  28  -7.092  -6.203   4.096
  205    H    GLU  29           H        GLU  29  -4.963  -7.657   2.763
  206    HA   GLU  29           HA       GLU  29  -4.006  -9.512   4.851
  207   1HB   GLU  29          1HB       GLU  29  -4.030  -9.428   1.893
  208   2HB   GLU  29          2HB       GLU  29  -2.621 -10.227   2.521
  209   1HG   GLU  29          1HG       GLU  29  -4.896 -11.350   3.974
  210   2HG   GLU  29          2HG       GLU  29  -5.369 -11.267   2.287
  211    H    ILE  30           H        ILE  30  -2.295  -7.076   2.931
  212    HA   ILE  30           HA       ILE  30   0.379  -7.094   4.132
  213    HB   ILE  30           HB       ILE  30  -1.418  -4.807   3.220
  214   1HG1  ILE  30          1HG1      ILE  30   0.055  -4.520   1.358
  215   2HG1  ILE  30          2HG1      ILE  30   1.392  -5.319   2.137
  216   1HG2  ILE  30          1HG2      ILE  30  -0.097  -3.873   5.154
  217   2HG2  ILE  30          2HG2      ILE  30   1.421  -4.447   4.418
  218   3HG2  ILE  30          3HG2      ILE  30   0.451  -3.168   3.637
  219   1HD1  ILE  30          1HD1      ILE  30  -1.048  -6.882   1.057
  220   2HD1  ILE  30          2HD1      ILE  30   0.559  -6.737   0.314
  221   3HD1  ILE  30          3HD1      ILE  30   0.381  -7.573   1.869
  222    H    LEU  31           H        LEU  31  -2.539  -5.409   5.368
  223    HA   LEU  31           HA       LEU  31  -1.097  -4.594   7.872
  224   1HB   LEU  31          1HB       LEU  31  -2.879  -3.129   8.301
  225   2HB   LEU  31          2HB       LEU  31  -2.702  -3.102   6.564
  226    HG   LEU  31           HG       LEU  31  -4.675  -4.800   6.430
  227   1HD1  LEU  31          1HD1      LEU  31  -4.973  -3.956   9.392
  228   2HD1  LEU  31          2HD1      LEU  31  -6.217  -4.795   8.427
  229   3HD1  LEU  31          3HD1      LEU  31  -4.677  -5.596   8.750
  230   1HD2  LEU  31          1HD2      LEU  31  -5.192  -1.952   7.552
  231   2HD2  LEU  31          2HD2      LEU  31  -5.071  -2.418   5.832
  232   3HD2  LEU  31          3HD2      LEU  31  -6.432  -2.992   6.802
  233    H    ARG  32           H        ARG  32  -3.314  -7.179   7.087
  234    HA   ARG  32           HA       ARG  32  -3.149  -8.121  10.006
  235   1HB   ARG  32          1HB       ARG  32  -5.331  -7.508   8.682
  236   2HB   ARG  32          2HB       ARG  32  -5.119  -9.033   7.823
  237   1HG   ARG  32          1HG       ARG  32  -6.256 -10.039   9.555
  238   2HG   ARG  32          2HG       ARG  32  -4.848  -9.723  10.586
  239   1HD   ARG  32          1HD       ARG  32  -6.929  -7.494  10.121
  240   2HD   ARG  32          2HD       ARG  32  -7.261  -8.772  11.312
  241    HE   ARG  32           HE       ARG  32  -4.532  -7.474  11.553
  242   1HH1  ARG  32          2HH1      ARG  32  -7.782  -7.539  12.778
  243   2HH1  ARG  32          1HH1      ARG  32  -7.297  -6.683  14.319
  244   1HH2  ARG  32          1HH2      ARG  32  -4.029  -6.488  13.287
  245   2HH2  ARG  32          2HH2      ARG  32  -5.275  -6.108  14.563
  246    H    ALA  33           H        ALA  33  -1.119  -8.538   7.630
  247    HA   ALA  33           HA       ALA  33  -0.682 -11.471   7.860
  248   1HB   ALA  33          1HB       ALA  33   0.051 -10.131   5.894
  249   2HB   ALA  33          2HB       ALA  33   1.171  -9.186   6.912
  250   3HB   ALA  33          3HB       ALA  33   1.442 -10.923   6.652
  251    H    THR  34           H        THR  34   1.262 -12.459   8.716
  252    HA   THR  34           HA       THR  34   2.830 -10.974  10.828
  253    HB   THR  34           HB       THR  34   1.448 -13.657  11.408
  254    HG1  THR  34           HG1      THR  34   1.725 -11.411  13.093
  255   1HG2  THR  34          2HG2      THR  34   3.941 -13.715  12.072
  256   2HG2  THR  34          3HG2      THR  34   3.655 -12.291  13.105
  257   3HG2  THR  34          1HG2      THR  34   2.841 -13.821  13.471
  258    H    GLY  35           H        GLY  35   4.339 -10.970   8.961
  259   1HA   GLY  35          1HA       GLY  35   6.353 -13.220   9.525
  260   2HA   GLY  35          2HA       GLY  35   5.977 -12.816   7.846
  261   1HN   NH2  36          1HN       NH2  36   8.235 -12.303  10.308
  262   2HN   NH2  36          2HN       NH2  36   8.955 -10.774   9.736
  263   1H    ACE  37          1HH3      ACE  37 -18.879  -4.795  11.171
  264   2H    ACE  37          2HH3      ACE  37 -18.731  -6.407  11.952
  265   3H    ACE  37          3HH3      ACE  37 -18.136  -4.947  12.786
  266    H    VAL  38           H        VAL  38 -17.466  -7.157  10.081
  267    HA   VAL  38           HA       VAL  38 -15.155  -5.479   9.021
  268    HB   VAL  38           HB       VAL  38 -14.305  -6.838  11.014
  269   1HG1  VAL  38          1HG1      VAL  38 -14.715  -9.239   9.086
  270   2HG1  VAL  38          2HG1      VAL  38 -13.701  -9.292  10.546
  271   3HG1  VAL  38          3HG1      VAL  38 -15.443  -9.033  10.690
  272   1HG2  VAL  38          1HG2      VAL  38 -12.700  -5.960   9.260
  273   2HG2  VAL  38          2HG2      VAL  38 -12.165  -7.542   9.867
  274   3HG2  VAL  38          3HG2      VAL  38 -12.965  -7.419   8.281
  275    H    THR  39           H        THR  39 -15.266  -5.543   6.918
  276    HA   THR  39           HA       THR  39 -15.373  -8.173   5.489
  277    HB   THR  39           HB       THR  39 -16.883  -6.826   3.616
  278    HG1  THR  39           HG1      THR  39 -17.618  -5.203   4.834
  279   1HG2  THR  39          2HG2      THR  39 -17.935  -8.617   5.917
  280   2HG2  THR  39          3HG2      THR  39 -18.781  -8.315   4.380
  281   3HG2  THR  39          1HG2      THR  39 -17.236  -9.191   4.386
  282    H    GLU  40           H        GLU  40 -15.194  -7.318   2.900
  283    HA   GLU  40           HA       GLU  40 -12.812  -5.585   2.474
  284   1HB   GLU  40          1HB       GLU  40 -12.936  -6.135   0.324
  285   2HB   GLU  40          2HB       GLU  40 -13.982  -7.398   0.897
  286   1HG   GLU  40          1HG       GLU  40 -15.491  -6.699  -0.701
  287   2HG   GLU  40          2HG       GLU  40 -15.846  -5.318   0.321
  288    H    GLU  41           H        GLU  41 -16.137  -4.890   3.126
  289    HA   GLU  41           HA       GLU  41 -16.381  -2.241   2.102
  290   1HB   GLU  41          1HB       GLU  41 -17.774  -3.811   4.220
  291   2HB   GLU  41          2HB       GLU  41 -17.972  -2.090   4.361
  292   1HG   GLU  41          1HG       GLU  41 -19.866  -2.731   3.056
  293   2HG   GLU  41          2HG       GLU  41 -18.775  -2.146   1.813
  294    H    ASP  42           H        ASP  42 -14.909  -3.110   5.205
  295    HA   ASP  42           HA       ASP  42 -14.437  -0.329   6.062
  296   1HB   ASP  42          1HB       ASP  42 -13.600  -3.090   7.083
  297   2HB   ASP  42          2HB       ASP  42 -12.885  -1.655   7.806
  298    H    ILE  43           H        ILE  43 -12.392  -2.645   4.372
  299    HA   ILE  43           HA       ILE  43  -9.879  -1.006   4.275
  300    HB   ILE  43           HB       ILE  43 -10.885  -3.330   2.568
  301   1HG1  ILE  43          1HG1      ILE  43  -9.947  -4.406   4.418
  302   2HG1  ILE  43          2HG1      ILE  43  -8.536  -4.284   3.403
  303   1HG2  ILE  43          1HG2      ILE  43  -9.604  -1.829   0.992
  304   2HG2  ILE  43          2HG2      ILE  43  -8.232  -1.773   2.117
  305   3HG2  ILE  43          3HG2      ILE  43  -8.679  -3.291   1.300
  306   1HD1  ILE  43          1HD1      ILE  43  -7.735  -2.220   4.629
  307   2HD1  ILE  43          2HD1      ILE  43  -9.085  -2.405   5.781
  308   3HD1  ILE  43          3HD1      ILE  43  -7.846  -3.672   5.648
  309    H    GLU  44           H        GLU  44 -12.867  -1.175   2.356
  310    HA   GLU  44           HA       GLU  44 -11.836   0.493   0.088
  311   1HB   GLU  44          1HB       GLU  44 -13.458  -0.478  -1.025
  312   2HB   GLU  44          2HB       GLU  44 -13.972  -1.316   0.407
  313   1HG   GLU  44          1HG       GLU  44 -15.961  -0.134   0.502
  314   2HG   GLU  44          2HG       GLU  44 -15.164   1.422   0.363
  315    H    ASP  45           H        ASP  45 -13.708   1.096   2.999
  316    HA   ASP  45           HA       ASP  45 -14.332   3.977   2.399
  317   1HB   ASP  45          1HB       ASP  45 -14.748   2.104   4.781
  318   2HB   ASP  45          2HB       ASP  45 -14.902   3.838   5.025
  319    H    LEU  46           H        LEU  46 -11.833   2.229   4.175
  320    HA   LEU  46           HA       LEU  46 -10.224   4.522   5.181
  321   1HB   LEU  46          1HB       LEU  46  -9.927   2.133   5.847
  322   2HB   LEU  46          2HB       LEU  46  -9.346   1.723   4.251
  323    HG   LEU  46           HG       LEU  46  -7.791   3.894   5.710
  324   1HD1  LEU  46          1HD1      LEU  46  -7.972   0.995   6.690
  325   2HD1  LEU  46          2HD1      LEU  46  -6.451   1.924   6.823
  326   3HD1  LEU  46          3HD1      LEU  46  -7.915   2.523   7.617
  327   1HD2  LEU  46          1HD2      LEU  46  -7.277   2.577   3.332
  328   2HD2  LEU  46          2HD2      LEU  46  -5.990   3.191   4.411
  329   3HD2  LEU  46          3HD2      LEU  46  -6.447   1.488   4.481
  330    H    MET  47           H        MET  47  -9.941   2.778   2.086
  331    HA   MET  47           HA       MET  47  -7.938   4.795   1.095
  332   1HB   MET  47          1HB       MET  47  -7.572   2.316   0.879
  333   2HB   MET  47          2HB       MET  47  -8.952   2.198  -0.199
  334   1HG   MET  47          1HG       MET  47  -7.809   3.015  -2.048
  335   2HG   MET  47          2HG       MET  47  -6.926   4.231  -1.107
  336   1HE   MET  47          1HE       MET  47  -5.953   2.316  -3.483
  337   2HE   MET  47          2HE       MET  47  -4.878   3.552  -2.768
  338   3HE   MET  47          3HE       MET  47  -4.296   1.871  -2.945
  339    H    LYS  48           H        LYS  48 -11.310   4.799   0.903
  340    HA   LYS  48           HA       LYS  48 -11.151   6.771  -1.403
  341   1HB   LYS  48          1HB       LYS  48 -13.607   7.051  -0.957
  342   2HB   LYS  48          2HB       LYS  48 -13.150   5.458  -1.474
  343   1HG   LYS  48          1HG       LYS  48 -14.235   4.572   0.393
  344   2HG   LYS  48          2HG       LYS  48 -13.095   5.373   1.428
  345   1HD   LYS  48          1HD       LYS  48 -15.909   6.168   0.819
  346   2HD   LYS  48          2HD       LYS  48 -15.045   6.354   2.309
  347   1HE   LYS  48          1HE       LYS  48 -14.533   8.595   1.809
  348   2HE   LYS  48          2HE       LYS  48 -13.917   8.174   0.220
  349   1HZ   LYS  48          1HZ       LYS  48 -16.538   7.859  -0.352
  350   2HZ   LYS  48          2HZ       LYS  48 -16.727   8.872   0.913
  351   3HZ   LYS  48          3HZ       LYS  48 -15.904   9.389  -0.338
  352    H    ASP  49           H        ASP  49 -11.129   6.698   2.087
  353    HA   ASP  49           HA       ASP  49 -11.822   9.607   2.526
  354   1HB   ASP  49          1HB       ASP  49 -12.299   7.678   4.196
  355   2HB   ASP  49          2HB       ASP  49 -10.584   7.674   4.583
  356    H    SER  50           H        SER  50  -8.872   7.701   2.187
  357    HA   SER  50           HA       SER  50  -7.069  10.098   2.771
  358   1HB   SER  50          1HB       SER  50  -6.683   7.099   2.728
  359   2HB   SER  50          2HB       SER  50  -5.328   8.026   2.091
  360    HG   SER  50           HG       SER  50  -6.616   8.515   4.598
  361    H    ASP  51           H        ASP  51  -8.216   8.057   0.152
  362    HA   ASP  51           HA       ASP  51  -5.886   8.520  -1.595
  363   1HB   ASP  51          1HB       ASP  51  -7.372   6.381  -1.272
  364   2HB   ASP  51          2HB       ASP  51  -8.490   7.102  -2.421
  365    H    LYS  52           H        LYS  52  -5.578  10.449  -2.431
  366    HA   LYS  52           HA       LYS  52  -7.389  11.091  -4.796
  367   1HB   LYS  52          1HB       LYS  52  -6.298  13.499  -4.622
  368   2HB   LYS  52          2HB       LYS  52  -7.769  13.138  -3.772
  369   1HG   LYS  52          1HG       LYS  52  -5.092  12.730  -2.283
  370   2HG   LYS  52          2HG       LYS  52  -5.558  14.360  -2.653
  371   1HD   LYS  52          1HD       LYS  52  -7.714  12.687  -1.349
  372   2HD   LYS  52          2HD       LYS  52  -6.381  13.079  -0.315
  373   1HE   LYS  52          1HE       LYS  52  -7.515  15.081   0.119
  374   2HE   LYS  52          2HE       LYS  52  -6.978  15.615  -1.472
  375   1HZ   LYS  52          1HZ       LYS  52  -9.445  13.898  -1.349
  376   2HZ   LYS  52          2HZ       LYS  52  -9.640  15.414  -0.934
  377   3HZ   LYS  52          3HZ       LYS  52  -9.107  15.046  -2.458
  378    H    ASN  53           H        ASN  53  -4.704   9.529  -3.975
  379    HA   ASN  53           HA       ASN  53  -3.055  10.106  -6.329
  380   1HB   ASN  53          1HB       ASN  53  -1.930   7.968  -5.801
  381   2HB   ASN  53          2HB       ASN  53  -2.264   8.820  -4.320
  382   1HD2  ASN  53          1HD2      ASN  53  -4.090   6.103  -3.006
  383   2HD2  ASN  53          2HD2      ASN  53  -3.340   7.741  -2.742
  384    H    ASN  54           H        ASN  54  -6.063   9.603  -6.700
  385    HA   ASN  54           HA       ASN  54  -7.576   8.723  -8.334
  386   1HB   ASN  54          1HB       ASN  54  -4.885   8.239  -9.750
  387   2HB   ASN  54          2HB       ASN  54  -6.296   7.420 -10.358
  388   1HD2  ASN  54          1HD2      ASN  54  -7.397  10.302 -12.066
  389   2HD2  ASN  54          2HD2      ASN  54  -7.675   8.547 -11.665
  390    H    ASP  55           H        ASP  55  -8.825   7.015  -7.769
  391    HA   ASP  55           HA       ASP  55  -7.692   5.464  -5.519
  392   1HB   ASP  55          1HB       ASP  55 -10.202   6.483  -6.208
  393   2HB   ASP  55          2HB       ASP  55 -10.464   4.763  -6.461
  394    H    GLY  56           H        GLY  56  -7.781   4.743  -8.835
  395   1HA   GLY  56          1HA       GLY  56  -8.368   1.916  -9.184
  396   2HA   GLY  56          2HA       GLY  56  -7.119   2.790 -10.079
  397    H    ARG  57           H        ARG  57  -5.184   3.340  -8.281
  398    HA   ARG  57           HA       ARG  57  -4.198   0.847  -6.949
  399   1HB   ARG  57          1HB       ARG  57  -3.638   1.372  -9.887
  400   2HB   ARG  57          2HB       ARG  57  -2.330   0.693  -8.920
  401   1HG   ARG  57          1HG       ARG  57  -4.160  -1.088  -8.110
  402   2HG   ARG  57          2HG       ARG  57  -5.123  -0.509  -9.467
  403   1HD   ARG  57          1HD       ARG  57  -3.731  -1.537 -11.069
  404   2HD   ARG  57          2HD       ARG  57  -2.261  -1.155 -10.175
  405    HE   ARG  57           HE       ARG  57  -2.617  -3.025  -8.563
  406   1HH1  ARG  57          2HH1      ARG  57  -4.823  -3.150 -11.232
  407   2HH1  ARG  57          1HH1      ARG  57  -5.028  -4.969 -11.041
  408   1HH2  ARG  57          1HH2      ARG  57  -3.013  -4.954  -8.272
  409   2HH2  ARG  57          2HH2      ARG  57  -4.105  -5.927  -9.374
  410    H    ILE  58           H        ILE  58  -2.235   1.008  -5.948
  411    HA   ILE  58           HA       ILE  58  -0.978   3.762  -5.734
  412    HB   ILE  58           HB       ILE  58  -1.085   1.370  -3.853
  413   1HG1  ILE  58          1HG1      ILE  58  -1.965   4.317  -3.627
  414   2HG1  ILE  58          2HG1      ILE  58  -2.982   2.904  -3.625
  415   1HG2  ILE  58          1HG2      ILE  58   1.318   2.162  -3.749
  416   2HG2  ILE  58          2HG2      ILE  58   0.775   3.823  -3.438
  417   3HG2  ILE  58          3HG2      ILE  58   0.479   2.534  -2.247
  418   1HD1  ILE  58          1HD1      ILE  58  -2.048   2.136  -1.395
  419   2HD1  ILE  58          2HD1      ILE  58  -1.098   3.642  -1.304
  420   3HD1  ILE  58          3HD1      ILE  58  -2.874   3.713  -1.331
  421    H    ASP  59           H        ASP  59   1.307   4.063  -5.713
  422    HA   ASP  59           HA       ASP  59   3.091   1.723  -6.568
  423   1HB   ASP  59          1HB       ASP  59   4.209   3.191  -8.205
  424   2HB   ASP  59          2HB       ASP  59   2.479   3.164  -8.514
  425    H    PHE  60           H        PHE  60   5.542   2.947  -6.596
  426    HA   PHE  60           HA       PHE  60   6.220   2.237  -3.818
  427   1HB   PHE  60          1HB       PHE  60   7.579   1.892  -6.044
  428   2HB   PHE  60          2HB       PHE  60   8.152   3.512  -5.835
  429    HD1  PHE  60           HD1      PHE  60   8.154   2.970  -2.527
  430    HD2  PHE  60           HD2      PHE  60   9.991   1.172  -5.969
  431    HE1  PHE  60           HE1      PHE  60  10.008   2.145  -1.121
  432    HE2  PHE  60           HE2      PHE  60  11.854   0.402  -4.576
  433    HZ   PHE  60           HZ       PHE  60  11.869   0.869  -2.144
  434    H    ASP  61           H        ASP  61   5.809   5.338  -5.356
  435    HA   ASP  61           HA       ASP  61   7.014   7.222  -3.419
  436   1HB   ASP  61          1HB       ASP  61   6.185   8.319  -5.352
  437   2HB   ASP  61          2HB       ASP  61   4.814   7.241  -5.534
  438    H    GLU  62           H        GLU  62   3.600   6.817  -3.803
  439    HA   GLU  62           HA       GLU  62   2.357   7.283  -1.289
  440   1HB   GLU  62          1HB       GLU  62   1.501   4.885  -2.937
  441   2HB   GLU  62          2HB       GLU  62   0.517   5.927  -1.953
  442   1HG   GLU  62          1HG       GLU  62   1.870   6.861  -4.586
  443   2HG   GLU  62          2HG       GLU  62   0.230   6.243  -4.500
  444    H    PHE  63           H        PHE  63   4.408   4.479  -1.958
  445    HA   PHE  63           HA       PHE  63   3.693   2.865   0.478
  446   1HB   PHE  63          1HB       PHE  63   4.945   2.027  -1.622
  447   2HB   PHE  63          2HB       PHE  63   6.345   2.890  -1.081
  448    HD1  PHE  63           HD1      PHE  63   4.151   0.003  -0.055
  449    HD2  PHE  63           HD2      PHE  63   7.815   2.127   0.711
  450    HE1  PHE  63           HE1      PHE  63   4.979  -1.885   1.254
  451    HE2  PHE  63           HE2      PHE  63   8.622   0.220   2.044
  452    HZ   PHE  63           HZ       PHE  63   7.261  -1.838   2.211
  453    H    LEU  64           H        LEU  64   6.565   4.877  -0.227
  454    HA   LEU  64           HA       LEU  64   7.616   5.360   2.398
  455   1HB   LEU  64          1HB       LEU  64   7.479   7.209  -0.035
  456   2HB   LEU  64          2HB       LEU  64   8.332   7.679   1.415
  457    HG   LEU  64           HG       LEU  64   9.047   5.031   0.054
  458   1HD1  LEU  64          1HD1      LEU  64   9.988   7.843  -0.841
  459   2HD1  LEU  64          2HD1      LEU  64  10.757   6.307  -1.328
  460   3HD1  LEU  64          3HD1      LEU  64   9.082   6.630  -1.787
  461   1HD2  LEU  64          1HD2      LEU  64  10.696   7.073   1.720
  462   2HD2  LEU  64          2HD2      LEU  64  10.182   5.439   2.230
  463   3HD2  LEU  64          3HD2      LEU  64  11.369   5.624   0.932
  464    H    LYS  65           H        LYS  65   4.915   7.120   0.889
  465    HA   LYS  65           HA       LYS  65   4.606   9.053   3.142
  466   1HB   LYS  65          1HB       LYS  65   3.432  10.183   1.568
  467   2HB   LYS  65          2HB       LYS  65   4.213   9.076   0.457
  468   1HG   LYS  65          1HG       LYS  65   2.153   8.106  -0.143
  469   2HG   LYS  65          2HG       LYS  65   1.531   8.154   1.517
  470   1HD   LYS  65          1HD       LYS  65   1.973  10.738  -0.061
  471   2HD   LYS  65          2HD       LYS  65   0.475   9.831  -0.291
  472   1HE   LYS  65          1HE       LYS  65  -0.047  10.187   2.196
  473   2HE   LYS  65          2HE       LYS  65   1.518  10.996   2.395
  474   1HZ   LYS  65          1HZ       LYS  65   0.560  12.482   0.323
  475   2HZ   LYS  65          2HZ       LYS  65  -0.897  12.095   0.993
  476   3HZ   LYS  65          3HZ       LYS  65   0.246  12.880   1.849
  477    H    MET  66           H        MET  66   2.790   6.150   2.106
  478    HA   MET  66           HA       MET  66   0.803   6.276   4.263
  479   1HB   MET  66          1HB       MET  66   0.257   5.181   2.166
  480   2HB   MET  66          2HB       MET  66   1.633   4.104   2.269
  481   1HG   MET  66          1HG       MET  66   0.650   2.704   3.965
  482   2HG   MET  66          2HG       MET  66  -0.586   3.904   4.392
  483   1HE   MET  66          1HE       MET  66   0.666   1.198   1.908
  484   2HE   MET  66          2HE       MET  66  -0.388   1.413   0.480
  485   3HE   MET  66          3HE       MET  66   0.826   2.663   0.890
  486    H    MET  67           H        MET  67   3.912   4.583   4.103
  487    HA   MET  67           HA       MET  67   3.548   3.164   6.716
  488   1HB   MET  67          1HB       MET  67   5.392   1.970   6.088
  489   2HB   MET  67          2HB       MET  67   5.175   2.733   4.526
  490   1HG   MET  67          1HG       MET  67   6.821   4.552   5.117
  491   2HG   MET  67          2HG       MET  67   7.085   3.806   6.705
  492   1HE   MET  67          1HE       MET  67   8.465   2.396   7.292
  493   2HE   MET  67          2HE       MET  67   8.312   0.749   6.609
  494   3HE   MET  67          3HE       MET  67   9.808   1.700   6.334
  495    H    GLU  68           H        GLU  68   5.189   6.142   5.673
  496    HA   GLU  68           HA       GLU  68   6.193   6.748   8.400
  497   1HB   GLU  68          1HB       GLU  68   6.278   8.394   5.834
  498   2HB   GLU  68          2HB       GLU  68   7.005   8.914   7.324
  499   1HG   GLU  68          1HG       GLU  68   8.703   7.121   7.249
  500   2HG   GLU  68          2HG       GLU  68   7.843   6.242   5.998
  501    H    GLY  69           H        GLY  69   3.415   7.861   6.565
  502   1HA   GLY  69          1HA       GLY  69   1.251   8.289   7.605
  503   2HA   GLY  69          2HA       GLY  69   2.066   8.417   9.168
  504    H    VAL  70           H        VAL  70   0.903  10.171   6.408
  505    HA   VAL  70           HA       VAL  70   1.415  12.890   7.741
  506    HB   VAL  70           HB       VAL  70   0.077  12.650   5.027
  507   1HG1  VAL  70          1HG1      VAL  70   1.997  14.756   6.256
  508   2HG1  VAL  70          2HG1      VAL  70   1.307  14.837   4.615
  509   3HG1  VAL  70          3HG1      VAL  70   0.243  14.943   6.019
  510   1HG2  VAL  70          1HG2      VAL  70   2.146  11.218   4.784
  511   2HG2  VAL  70          2HG2      VAL  70   2.290  12.698   3.848
  512   3HG2  VAL  70          3HG2      VAL  70   3.164  12.538   5.401
  513    H    GLN  71           H        GLN  71  -0.692  14.369   7.555
  514    HA   GLN  71           HA       GLN  71  -3.149  13.844   8.541
  515   1HB   GLN  71          1HB       GLN  71  -2.618  15.109   5.803
  516   2HB   GLN  71          2HB       GLN  71  -4.216  15.117   6.547
  517   1HG   GLN  71          1HG       GLN  71  -1.626  16.463   7.536
  518   2HG   GLN  71          2HG       GLN  71  -3.140  17.254   7.141
  519   1HE2  GLN  71          1HE2      GLN  71  -4.404  16.861  10.443
  520   2HE2  GLN  71          2HE2      GLN  71  -4.804  17.225   8.675
  521   1HN   NH2  72          1HN       NH2  72  -3.364  13.217   4.966
  522   2HN   NH2  72          2HN       NH2  72  -4.218  11.657   5.114
   
  No H/Q in entry =         522
  Start of MODEL   20
    1   1H    ACE   1          1HH3      ACE   1  19.693  11.129   0.406
    2   2H    ACE   1          2HH3      ACE   1  18.983  12.651   1.052
    3   3H    ACE   1          3HH3      ACE   1  19.825  11.509   2.137
    4    H    LYS   2           H        LYS   2  16.937  11.631  -0.036
    5    HA   LYS   2           HA       LYS   2  15.391   9.769   1.623
    6   1HB   LYS   2          1HB       LYS   2  14.970  10.585  -1.301
    7   2HB   LYS   2          2HB       LYS   2  13.786   9.677  -0.387
    8   1HG   LYS   2          1HG       LYS   2  13.725  11.764   1.271
    9   2HG   LYS   2          2HG       LYS   2  14.780  12.581   0.147
   10   1HD   LYS   2          1HD       LYS   2  12.112  11.415  -0.853
   11   2HD   LYS   2          2HD       LYS   2  12.120  12.945   0.027
   12   1HE   LYS   2          1HE       LYS   2  12.379  13.785  -2.127
   13   2HE   LYS   2          2HE       LYS   2  14.096  13.639  -1.713
   14   1HZ   LYS   2          1HZ       LYS   2  13.975  11.272  -2.820
   15   2HZ   LYS   2          2HZ       LYS   2  12.508  11.716  -3.464
   16   3HZ   LYS   2          3HZ       LYS   2  13.886  12.497  -3.790
   17    H    SER   3           H        SER   3  16.193   7.820   1.996
   18    HA   SER   3           HA       SER   3  17.807   6.241   0.127
   19   1HB   SER   3          1HB       SER   3  18.442   5.919   2.304
   20   2HB   SER   3          2HB       SER   3  16.829   6.015   2.968
   21    HG   SER   3           HG       SER   3  17.378   3.932   3.163
   22    H    GLU   4           H        GLU   4  17.251   4.868  -1.448
   23    HA   GLU   4           HA       GLU   4  14.276   4.452  -1.961
   24   1HB   GLU   4          1HB       GLU   4  16.369   3.930  -4.074
   25   2HB   GLU   4          2HB       GLU   4  14.636   4.105  -4.202
   26   1HG   GLU   4          1HG       GLU   4  15.394   6.673  -3.268
   27   2HG   GLU   4          2HG       GLU   4  16.775   6.226  -4.262
   28    H    GLU   5           H        GLU   5  17.033   2.697  -0.965
   29    HA   GLU   5           HA       GLU   5  16.584   0.269  -2.461
   30   1HB   GLU   5          1HB       GLU   5  18.782   0.651  -1.939
   31   2HB   GLU   5          2HB       GLU   5  18.484   1.092  -0.286
   32   1HG   GLU   5          1HG       GLU   5  19.251  -0.987   0.337
   33   2HG   GLU   5          2HG       GLU   5  17.815  -1.712  -0.363
   34    H    GLU   6           H        GLU   6  15.987   0.709   1.036
   35    HA   GLU   6           HA       GLU   6  14.822  -1.973   1.532
   36   1HB   GLU   6          1HB       GLU   6  15.508  -1.161   3.506
   37   2HB   GLU   6          2HB       GLU   6  15.258   0.507   3.091
   38   1HG   GLU   6          1HG       GLU   6  13.038   0.552   3.970
   39   2HG   GLU   6          2HG       GLU   6  12.739  -1.147   3.656
   40    H    LEU   7           H        LEU   7  13.196   1.198   1.094
   41    HA   LEU   7           HA       LEU   7  10.454   0.366   0.798
   42   1HB   LEU   7          1HB       LEU   7  12.030   2.590  -0.585
   43   2HB   LEU   7          2HB       LEU   7  10.336   2.347  -0.936
   44    HG   LEU   7           HG       LEU   7  11.247   4.067   0.977
   45   1HD1  LEU   7          1HD1      LEU   7   8.929   3.959   0.080
   46   2HD1  LEU   7          2HD1      LEU   7   8.565   2.525   1.076
   47   3HD1  LEU   7          3HD1      LEU   7   8.899   4.099   1.844
   48   1HD2  LEU   7          1HD2      LEU   7  10.564   1.472   2.550
   49   2HD2  LEU   7          2HD2      LEU   7  12.122   2.345   2.553
   50   3HD2  LEU   7          3HD2      LEU   7  10.694   3.102   3.264
   51    H    ALA   8           H        ALA   8  12.925   0.359  -1.798
   52    HA   ALA   8           HA       ALA   8  11.333  -0.903  -3.846
   53   1HB   ALA   8          1HB       ALA   8  14.393  -0.928  -3.386
   54   2HB   ALA   8          2HB       ALA   8  13.585  -1.355  -4.908
   55   3HB   ALA   8          3HB       ALA   8  13.454   0.292  -4.279
   56    H    ASN   9           H        ASN   9  13.984  -2.752  -2.244
   57    HA   ASN   9           HA       ASN   9  13.272  -5.387  -2.518
   58   1HB   ASN   9          1HB       ASN   9  14.048  -4.141   0.212
   59   2HB   ASN   9          2HB       ASN   9  14.160  -5.836  -0.172
   60   1HD2  ASN   9          1HD2      ASN   9  17.406  -3.873  -0.807
   61   2HD2  ASN   9          2HD2      ASN   9  16.167  -3.698   0.515
   62    H    ALA  10           H        ALA  10  11.714  -3.499   0.112
   63    HA   ALA  10           HA       ALA  10   9.709  -5.452   0.852
   64   1HB   ALA  10          1HB       ALA  10  10.450  -3.495   2.223
   65   2HB   ALA  10          2HB       ALA  10   9.610  -2.368   1.126
   66   3HB   ALA  10          3HB       ALA  10   8.681  -3.539   2.087
   67    H    PHE  11           H        PHE  11   9.361  -2.782  -1.496
   68    HA   PHE  11           HA       PHE  11   6.538  -3.145  -2.095
   69   1HB   PHE  11          1HB       PHE  11   7.844  -1.074  -2.545
   70   2HB   PHE  11          2HB       PHE  11   8.773  -1.876  -3.765
   71    HD1  PHE  11           HD1      PHE  11   5.404  -0.482  -3.030
   72    HD2  PHE  11           HD2      PHE  11   7.879  -2.247  -6.075
   73    HE1  PHE  11           HE1      PHE  11   3.823   0.265  -4.761
   74    HE2  PHE  11           HE2      PHE  11   6.282  -1.493  -7.792
   75    HZ   PHE  11           HZ       PHE  11   4.249  -0.242  -7.134
   76    H    ARG  12           H        ARG  12   9.358  -4.577  -3.748
   77    HA   ARG  12           HA       ARG  12   7.759  -6.225  -5.595
   78   1HB   ARG  12          1HB       ARG  12  10.674  -6.480  -4.659
   79   2HB   ARG  12          2HB       ARG  12   9.967  -7.542  -5.870
   80   1HG   ARG  12          1HG       ARG  12   9.296  -5.244  -7.108
   81   2HG   ARG  12          2HG       ARG  12  10.516  -4.512  -6.058
   82   1HD   ARG  12          1HD       ARG  12  11.925  -5.049  -7.835
   83   2HD   ARG  12          2HD       ARG  12  12.035  -6.604  -6.965
   84    HE   ARG  12           HE       ARG  12   9.811  -6.260  -9.042
   85   1HH1  ARG  12          2HH1      ARG  12  12.712  -7.900  -8.094
   86   2HH1  ARG  12          1HH1      ARG  12  12.482  -9.207  -9.353
   87   1HH2  ARG  12          1HH2      ARG  12   9.570  -7.729 -10.439
   88   2HH2  ARG  12          2HH2      ARG  12  10.761  -9.099 -10.617
   89    H    ILE  13           H        ILE  13   8.898  -6.804  -2.301
   90    HA   ILE  13           HA       ILE  13   8.456  -9.764  -2.230
   91    HB   ILE  13           HB       ILE  13   8.951  -7.664  -0.070
   92   1HG1  ILE  13          1HG1      ILE  13  10.877  -8.825  -1.558
   93   2HG1  ILE  13          2HG1      ILE  13  11.118  -8.463   0.130
   94   1HG2  ILE  13          1HG2      ILE  13   7.357  -9.321   0.973
   95   2HG2  ILE  13          2HG2      ILE  13   8.394 -10.676   0.465
   96   3HG2  ILE  13          3HG2      ILE  13   8.951  -9.509   1.681
   97   1HD1  ILE  13          1HD1      ILE  13  10.582 -10.824   0.817
   98   2HD1  ILE  13          2HD1      ILE  13  10.389 -11.273  -0.896
   99   3HD1  ILE  13          3HD1      ILE  13  11.966 -10.722  -0.295
  100    H    PHE  14           H        PHE  14   6.502  -6.893  -1.585
  101    HA   PHE  14           HA       PHE  14   4.044  -8.308  -0.718
  102   1HB   PHE  14          1HB       PHE  14   4.612  -5.496  -1.830
  103   2HB   PHE  14          2HB       PHE  14   2.977  -6.026  -1.611
  104    HD1  PHE  14           HD1      PHE  14   4.083  -7.757   1.027
  105    HD2  PHE  14           HD2      PHE  14   3.981  -3.636  -0.181
  106    HE1  PHE  14           HE1      PHE  14   4.167  -7.058   3.387
  107    HE2  PHE  14           HE2      PHE  14   4.088  -2.944   2.180
  108    HZ   PHE  14           HZ       PHE  14   4.232  -4.646   3.966
  109    H    ASP  15           H        ASP  15   5.041  -6.977  -3.883
  110    HA   ASP  15           HA       ASP  15   2.526  -7.554  -5.217
  111   1HB   ASP  15          1HB       ASP  15   4.068  -5.695  -5.817
  112   2HB   ASP  15          2HB       ASP  15   5.289  -6.824  -6.382
  113    H    LYS  16           H        LYS  16   1.730  -9.557  -5.599
  114    HA   LYS  16           HA       LYS  16   3.704 -11.847  -5.976
  115   1HB   LYS  16          1HB       LYS  16   2.491 -13.242  -4.633
  116   2HB   LYS  16          2HB       LYS  16   1.995 -11.744  -3.896
  117   1HG   LYS  16          1HG       LYS  16  -0.152 -11.879  -5.413
  118   2HG   LYS  16          2HG       LYS  16   0.416 -13.461  -5.933
  119   1HD   LYS  16          1HD       LYS  16  -1.278 -13.702  -4.130
  120   2HD   LYS  16          2HD       LYS  16   0.287 -14.367  -3.668
  121   1HE   LYS  16          1HE       LYS  16  -0.199 -11.519  -2.778
  122   2HE   LYS  16          2HE       LYS  16  -1.128 -12.779  -1.942
  123   1HZ   LYS  16          1HZ       LYS  16   1.175 -14.042  -1.796
  124   2HZ   LYS  16          2HZ       LYS  16   1.880 -12.665  -2.303
  125   3HZ   LYS  16          3HZ       LYS  16   1.110 -12.688  -0.851
  126    H    ASN  17           H        ASN  17   2.037  -9.898  -7.927
  127    HA   ASN  17           HA       ASN  17   1.964 -12.180  -9.957
  128   1HB   ASN  17          1HB       ASN  17  -0.166 -10.782  -9.450
  129   2HB   ASN  17          2HB       ASN  17   0.586  -9.460 -10.302
  130   1HD2  ASN  17          1HD2      ASN  17  -1.597 -11.005 -12.754
  131   2HD2  ASN  17          2HD2      ASN  17  -1.836 -10.275 -11.133
  132    H    ALA  18           H        ALA  18   2.924  -8.664  -9.831
  133    HA   ALA  18           HA       ALA  18   5.265  -7.971  -9.945
  134   1HB   ALA  18          1HB       ALA  18   5.817 -10.349  -9.305
  135   2HB   ALA  18          2HB       ALA  18   5.706 -10.829 -11.013
  136   3HB   ALA  18          3HB       ALA  18   6.977  -9.706 -10.500
  137    H    ASP  19           H        ASP  19   3.306  -7.508 -12.056
  138    HA   ASP  19           HA       ASP  19   4.872  -7.006 -14.562
  139   1HB   ASP  19          1HB       ASP  19   2.299  -5.852 -13.349
  140   2HB   ASP  19          2HB       ASP  19   3.028  -5.103 -14.762
  141    H    GLY  20           H        GLY  20   4.824  -5.638 -11.379
  142   1HA   GLY  20          1HA       GLY  20   7.065  -3.986 -11.070
  143   2HA   GLY  20          2HA       GLY  20   6.125  -3.047 -12.239
  144    H    TYR  21           H        TYR  21   3.532  -3.592 -11.179
  145    HA   TYR  21           HA       TYR  21   3.601  -1.651  -8.784
  146   1HB   TYR  21          1HB       TYR  21   2.030  -0.187  -9.896
  147   2HB   TYR  21          2HB       TYR  21   3.369  -0.454 -10.971
  148    HD1  TYR  21           HD1      TYR  21   1.791  -3.476 -11.393
  149    HD2  TYR  21           HD2      TYR  21   1.103   0.684 -12.239
  150    HE1  TYR  21           HE1      TYR  21   0.290  -4.091 -13.245
  151    HE2  TYR  21           HE2      TYR  21  -0.400   0.038 -14.092
  152    HH   TYR  21           HH       TYR  21  -1.889  -2.521 -14.448
  153    H    ILE  22           H        ILE  22   1.285  -1.204  -7.970
  154    HA   ILE  22           HA       ILE  22   0.239  -3.967  -7.133
  155    HB   ILE  22           HB       ILE  22   0.270  -1.470  -5.360
  156   1HG1  ILE  22          1HG1      ILE  22   2.298  -3.806  -5.254
  157   2HG1  ILE  22          2HG1      ILE  22   2.657  -2.207  -5.846
  158   1HG2  ILE  22          1HG2      ILE  22  -1.444  -3.216  -4.689
  159   2HG2  ILE  22          2HG2      ILE  22  -0.179  -4.458  -4.620
  160   3HG2  ILE  22          3HG2      ILE  22  -0.187  -3.098  -3.469
  161   1HD1  ILE  22          1HD1      ILE  22   2.124  -1.186  -3.574
  162   2HD1  ILE  22          2HD1      ILE  22   1.956  -2.836  -2.922
  163   3HD1  ILE  22          3HD1      ILE  22   3.514  -2.301  -3.586
  164    H    ASP  23           H        ASP  23  -1.985  -4.149  -6.591
  165    HA   ASP  23           HA       ASP  23  -3.831  -2.080  -7.876
  166   1HB   ASP  23          1HB       ASP  23  -5.088  -3.980  -9.035
  167   2HB   ASP  23          2HB       ASP  23  -3.476  -3.669  -9.664
  168    H    ILE  24           H        ILE  24  -6.206  -2.673  -7.440
  169    HA   ILE  24           HA       ILE  24  -6.510  -2.444  -4.449
  170    HB   ILE  24           HB       ILE  24  -7.889  -1.255  -6.475
  171   1HG1  ILE  24          1HG1      ILE  24  -7.952  -0.815  -3.850
  172   2HG1  ILE  24          2HG1      ILE  24  -9.233  -0.216  -4.868
  173   1HG2  ILE  24          1HG2      ILE  24  -9.099  -3.360  -7.215
  174   2HG2  ILE  24          2HG2      ILE  24  -9.782  -3.555  -5.589
  175   3HG2  ILE  24          3HG2      ILE  24 -10.246  -2.175  -6.616
  176   1HD1  ILE  24          1HD1      ILE  24 -10.695  -2.221  -4.296
  177   2HD1  ILE  24          2HD1      ILE  24  -9.474  -2.715  -3.098
  178   3HD1  ILE  24          3HD1      ILE  24 -10.312  -1.160  -2.915
  179    H    GLU  25           H        GLU  25  -6.825  -4.932  -6.860
  180    HA   GLU  25           HA       GLU  25  -8.198  -6.917  -5.079
  181   1HB   GLU  25          1HB       GLU  25  -8.027  -6.699  -7.778
  182   2HB   GLU  25          2HB       GLU  25  -6.736  -7.838  -7.545
  183   1HG   GLU  25          1HG       GLU  25  -8.726  -9.128  -6.072
  184   2HG   GLU  25          2HG       GLU  25  -9.732  -8.251  -7.209
  185    H    GLU  26           H        GLU  26  -4.871  -6.134  -5.853
  186    HA   GLU  26           HA       GLU  26  -3.639  -8.515  -4.509
  187   1HB   GLU  26          1HB       GLU  26  -2.454  -5.961  -5.658
  188   2HB   GLU  26          2HB       GLU  26  -1.479  -7.073  -4.745
  189   1HG   GLU  26          1HG       GLU  26  -2.140  -8.926  -6.492
  190   2HG   GLU  26          2HG       GLU  26  -2.877  -7.654  -7.450
  191    H    LEU  27           H        LEU  27  -4.682  -5.365  -3.479
  192    HA   LEU  27           HA       LEU  27  -3.031  -4.942  -1.149
  193   1HB   LEU  27          1HB       LEU  27  -4.383  -3.192  -2.225
  194   2HB   LEU  27          2HB       LEU  27  -5.876  -3.960  -1.751
  195    HG   LEU  27           HG       LEU  27  -5.356  -1.949  -0.355
  196   1HD1  LEU  27          1HD1      LEU  27  -6.805  -3.762   0.564
  197   2HD1  LEU  27          2HD1      LEU  27  -5.387  -4.583   1.277
  198   3HD1  LEU  27          3HD1      LEU  27  -5.890  -2.963   1.841
  199   1HD2  LEU  27          1HD2      LEU  27  -2.974  -3.602   0.774
  200   2HD2  LEU  27          2HD2      LEU  27  -2.849  -2.119  -0.219
  201   3HD2  LEU  27          3HD2      LEU  27  -3.567  -2.036   1.394
  202    H    GLY  28           H        GLY  28  -6.331  -6.334  -1.126
  203   1HA   GLY  28          1HA       GLY  28  -6.617  -6.896   1.760
  204   2HA   GLY  28          2HA       GLY  28  -7.472  -7.745   0.466
  205    H    GLU  29           H        GLU  29  -5.276  -8.890  -0.884
  206    HA   GLU  29           HA       GLU  29  -4.788 -11.246   0.824
  207   1HB   GLU  29          1HB       GLU  29  -4.459 -10.569  -2.051
  208   2HB   GLU  29          2HB       GLU  29  -3.307 -11.738  -1.481
  209   1HG   GLU  29          1HG       GLU  29  -5.128 -13.325  -0.823
  210   2HG   GLU  29          2HG       GLU  29  -6.366 -12.118  -1.117
  211    H    ILE  30           H        ILE  30  -2.780  -8.525   0.045
  212    HA   ILE  30           HA       ILE  30  -0.292  -9.394   1.464
  213    HB   ILE  30           HB       ILE  30  -1.530  -6.638   0.995
  214   1HG1  ILE  30          1HG1      ILE  30   0.208  -6.196  -0.584
  215   2HG1  ILE  30          2HG1      ILE  30   1.264  -7.428   0.050
  216   1HG2  ILE  30          1HG2      ILE  30  -0.342  -6.539   3.217
  217   2HG2  ILE  30          2HG2      ILE  30   1.135  -7.211   2.478
  218   3HG2  ILE  30          3HG2      ILE  30   0.529  -5.597   2.011
  219   1HD1  ILE  30          1HD1      ILE  30  -1.242  -8.120  -1.624
  220   2HD1  ILE  30          2HD1      ILE  30   0.451  -8.124  -2.160
  221   3HD1  ILE  30          3HD1      ILE  30  -0.082  -9.277  -0.921
  222    H    LEU  31           H        LEU  31  -3.184  -7.566   2.611
  223    HA   LEU  31           HA       LEU  31  -2.150  -7.482   5.431
  224   1HB   LEU  31          1HB       LEU  31  -4.039  -6.130   5.958
  225   2HB   LEU  31          2HB       LEU  31  -3.439  -5.586   4.411
  226    HG   LEU  31           HG       LEU  31  -5.339  -7.139   3.364
  227   1HD1  LEU  31          1HD1      LEU  31  -6.377  -6.767   6.255
  228   2HD1  LEU  31          2HD1      LEU  31  -7.358  -7.309   4.867
  229   3HD1  LEU  31          3HD1      LEU  31  -6.005  -8.301   5.419
  230   1HD2  LEU  31          1HD2      LEU  31  -5.989  -4.477   4.821
  231   2HD2  LEU  31          2HD2      LEU  31  -5.434  -4.665   3.134
  232   3HD2  LEU  31          3HD2      LEU  31  -7.034  -5.252   3.602
  233    H    ARG  32           H        ARG  32  -4.378  -9.548   3.679
  234    HA   ARG  32           HA       ARG  32  -4.701 -11.275   6.205
  235   1HB   ARG  32          1HB       ARG  32  -6.560  -9.806   4.733
  236   2HB   ARG  32          2HB       ARG  32  -6.761 -11.400   4.008
  237   1HG   ARG  32          1HG       ARG  32  -6.794 -10.959   7.073
  238   2HG   ARG  32          2HG       ARG  32  -8.235 -10.684   6.076
  239   1HD   ARG  32          1HD       ARG  32  -7.724 -13.152   5.111
  240   2HD   ARG  32          2HD       ARG  32  -6.751 -13.338   6.588
  241    HE   ARG  32           HE       ARG  32  -9.590 -12.285   6.943
  242   1HH1  ARG  32          2HH1      ARG  32  -7.424 -14.974   7.331
  243   2HH1  ARG  32          1HH1      ARG  32  -8.550 -15.806   8.506
  244   1HH2  ARG  32          1HH2      ARG  32 -10.850 -13.272   8.235
  245   2HH2  ARG  32          2HH2      ARG  32 -10.403 -14.887   8.954
  246    H    ALA  33           H        ALA  33  -2.756 -11.351   3.647
  247    HA   ALA  33           HA       ALA  33  -2.644 -13.900   2.543
  248   1HB   ALA  33          1HB       ALA  33  -0.867 -12.168   2.341
  249   2HB   ALA  33          2HB       ALA  33  -0.331 -12.473   4.016
  250   3HB   ALA  33          3HB       ALA  33  -0.156 -13.732   2.774
  251    H    THR  34           H        THR  34  -0.535 -13.831   5.339
  252    HA   THR  34           HA       THR  34  -1.201 -16.667   5.983
  253    HB   THR  34           HB       THR  34   0.841 -16.800   7.099
  254    HG1  THR  34           HG1      THR  34   1.770 -14.408   7.466
  255   1HG2  THR  34          2HG2      THR  34   1.162 -15.972   4.675
  256   2HG2  THR  34          3HG2      THR  34   1.321 -14.313   5.308
  257   3HG2  THR  34          1HG2      THR  34   2.519 -15.543   5.748
  258    H    GLY  35           H        GLY  35  -2.475 -17.407   7.640
  259   1HA   GLY  35          1HA       GLY  35  -3.206 -15.623   9.987
  260   2HA   GLY  35          2HA       GLY  35  -3.917 -17.201   9.628
  261   1HN   NH2  36          1HN       NH2  36  -3.741 -18.277  11.581
  262   2HN   NH2  36          2HN       NH2  36  -2.189 -18.621  12.391
  263   1H    ACE  37          1HH3      ACE  37 -13.022  -5.832  14.755
  264   2H    ACE  37          2HH3      ACE  37 -14.220  -5.395  13.489
  265   3H    ACE  37          3HH3      ACE  37 -13.724  -7.094  13.707
  266    H    VAL  38           H        VAL  38 -11.964  -3.972  13.285
  267    HA   VAL  38           HA       VAL  38 -10.907  -3.170  11.194
  268    HB   VAL  38           HB       VAL  38  -9.026  -3.660  12.495
  269   1HG1  VAL  38          1HG1      VAL  38  -9.488  -6.701  12.054
  270   2HG1  VAL  38          2HG1      VAL  38  -8.055  -6.013  12.853
  271   3HG1  VAL  38          3HG1      VAL  38  -9.652  -5.816  13.582
  272   1HG2  VAL  38          1HG2      VAL  38  -8.372  -3.607  10.048
  273   2HG2  VAL  38          2HG2      VAL  38  -7.303  -4.694  10.961
  274   3HG2  VAL  38          3HG2      VAL  38  -8.601  -5.367   9.943
  275    H    THR  39           H        THR  39 -12.261  -3.464   9.418
  276    HA   THR  39           HA       THR  39 -12.520  -6.265   8.204
  277    HB   THR  39           HB       THR  39 -14.872  -6.078   7.831
  278    HG1  THR  39           HG1      THR  39 -14.754  -3.472   8.962
  279   1HG2  THR  39          2HG2      THR  39 -14.293  -4.998  10.679
  280   2HG2  THR  39          3HG2      THR  39 -15.806  -5.779  10.161
  281   3HG2  THR  39          1HG2      THR  39 -14.293  -6.709  10.192
  282    H    GLU  40           H        GLU  40 -14.061  -5.535   6.010
  283    HA   GLU  40           HA       GLU  40 -11.852  -4.579   4.271
  284   1HB   GLU  40          1HB       GLU  40 -13.317  -5.239   2.369
  285   2HB   GLU  40          2HB       GLU  40 -12.935  -6.503   3.498
  286   1HG   GLU  40          1HG       GLU  40 -15.186  -7.028   3.379
  287   2HG   GLU  40          2HG       GLU  40 -15.448  -5.696   4.490
  288    H    GLU  41           H        GLU  41 -14.941  -3.106   5.203
  289    HA   GLU  41           HA       GLU  41 -14.759  -0.746   3.576
  290   1HB   GLU  41          1HB       GLU  41 -16.635  -0.110   4.568
  291   2HB   GLU  41          2HB       GLU  41 -16.615  -1.698   5.272
  292   1HG   GLU  41          1HG       GLU  41 -15.283  -0.380   7.302
  293   2HG   GLU  41          2HG       GLU  41 -16.134   0.999   6.630
  294    H    ASP  42           H        ASP  42 -12.959  -1.336   6.580
  295    HA   ASP  42           HA       ASP  42 -11.569   1.213   6.627
  296   1HB   ASP  42          1HB       ASP  42 -10.826  -1.597   7.625
  297   2HB   ASP  42          2HB       ASP  42  -9.741  -0.235   7.865
  298    H    ILE  43           H        ILE  43 -10.728  -1.729   4.826
  299    HA   ILE  43           HA       ILE  43  -8.296  -0.753   3.430
  300    HB   ILE  43           HB       ILE  43 -10.374  -2.844   2.626
  301   1HG1  ILE  43          1HG1      ILE  43  -7.682  -3.935   2.719
  302   2HG1  ILE  43          2HG1      ILE  43  -7.864  -2.976   4.162
  303   1HG2  ILE  43          1HG2      ILE  43  -9.506  -1.853   0.472
  304   2HG2  ILE  43          2HG2      ILE  43  -7.830  -2.088   1.008
  305   3HG2  ILE  43          3HG2      ILE  43  -8.882  -3.485   0.668
  306   1HD1  ILE  43          1HD1      ILE  43  -9.975  -4.212   4.812
  307   2HD1  ILE  43          2HD1      ILE  43  -9.734  -5.311   3.428
  308   3HD1  ILE  43          3HD1      ILE  43  -8.527  -5.241   4.730
  309    H    GLU  44           H        GLU  44 -11.783  -0.454   2.627
  310    HA   GLU  44           HA       GLU  44 -11.270   0.750  -0.068
  311   1HB   GLU  44          1HB       GLU  44 -13.653  -0.181   1.448
  312   2HB   GLU  44          2HB       GLU  44 -13.966   1.202   0.443
  313   1HG   GLU  44          1HG       GLU  44 -12.546  -0.613  -1.298
  314   2HG   GLU  44          2HG       GLU  44 -13.599  -1.648  -0.351
  315    H    ASP  45           H        ASP  45 -12.004   1.989   3.131
  316    HA   ASP  45           HA       ASP  45 -12.217   4.890   2.382
  317   1HB   ASP  45          1HB       ASP  45 -11.842   3.385   5.037
  318   2HB   ASP  45          2HB       ASP  45 -11.772   5.140   4.960
  319    H    LEU  46           H        LEU  46  -9.615   2.695   3.327
  320    HA   LEU  46           HA       LEU  46  -7.425   4.704   3.484
  321   1HB   LEU  46          1HB       LEU  46  -7.404   2.443   4.546
  322   2HB   LEU  46          2HB       LEU  46  -7.318   1.669   2.981
  323    HG   LEU  46           HG       LEU  46  -5.107   1.821   4.322
  324   1HD1  LEU  46          1HD1      LEU  46  -5.478   1.538   1.650
  325   2HD1  LEU  46          2HD1      LEU  46  -4.652   3.122   1.627
  326   3HD1  LEU  46          3HD1      LEU  46  -3.847   1.727   2.359
  327   1HD2  LEU  46          1HD2      LEU  46  -5.547   4.444   4.765
  328   2HD2  LEU  46          2HD2      LEU  46  -3.913   3.802   4.587
  329   3HD2  LEU  46          3HD2      LEU  46  -4.688   4.636   3.208
  330    H    MET  47           H        MET  47  -8.246   2.494   0.810
  331    HA   MET  47           HA       MET  47  -6.199   3.634  -0.988
  332   1HB   MET  47          1HB       MET  47  -7.882   1.291  -0.915
  333   2HB   MET  47          2HB       MET  47  -8.203   2.084  -2.448
  334   1HG   MET  47          1HG       MET  47  -5.264   1.953  -1.891
  335   2HG   MET  47          2HG       MET  47  -6.043   0.362  -1.972
  336   1HE   MET  47          1HE       MET  47  -3.894   0.906  -3.895
  337   2HE   MET  47          2HE       MET  47  -4.962  -0.513  -4.095
  338   3HE   MET  47          3HE       MET  47  -4.589   0.517  -5.507
  339    H    LYS  48           H        LYS  48  -9.640   4.320  -0.577
  340    HA   LYS  48           HA       LYS  48  -9.836   6.143  -2.934
  341   1HB   LYS  48          1HB       LYS  48 -11.582   5.547  -0.502
  342   2HB   LYS  48          2HB       LYS  48 -12.047   6.825  -1.582
  343   1HG   LYS  48          1HG       LYS  48 -12.524   3.937  -1.813
  344   2HG   LYS  48          2HG       LYS  48 -13.173   5.215  -2.791
  345   1HD   LYS  48          1HD       LYS  48 -12.144   3.948  -4.436
  346   2HD   LYS  48          2HD       LYS  48 -10.953   5.187  -4.221
  347   1HE   LYS  48          1HE       LYS  48  -9.808   2.980  -4.382
  348   2HE   LYS  48          2HE       LYS  48  -9.582   3.581  -2.749
  349   1HZ   LYS  48          1HZ       LYS  48 -11.907   2.216  -2.388
  350   2HZ   LYS  48          2HZ       LYS  48 -11.359   1.305  -3.562
  351   3HZ   LYS  48          3HZ       LYS  48 -10.468   1.476  -2.176
  352    H    ASP  49           H        ASP  49  -9.026   6.541   0.466
  353    HA   ASP  49           HA       ASP  49  -9.086   9.563   0.465
  354   1HB   ASP  49          1HB       ASP  49  -9.525   8.082   2.535
  355   2HB   ASP  49          2HB       ASP  49  -7.805   7.721   2.580
  356    H    SER  50           H        SER  50  -6.617   7.046   0.132
  357    HA   SER  50           HA       SER  50  -4.251   8.876  -0.126
  358   1HB   SER  50          1HB       SER  50  -3.893   6.552   0.614
  359   2HB   SER  50          2HB       SER  50  -4.692   5.893  -0.810
  360    HG   SER  50           HG       SER  50  -2.262   6.075  -0.687
  361    H    ASP  51           H        ASP  51  -5.972   6.803  -2.509
  362    HA   ASP  51           HA       ASP  51  -4.765   7.886  -4.915
  363   1HB   ASP  51          1HB       ASP  51  -6.182   5.701  -4.501
  364   2HB   ASP  51          2HB       ASP  51  -7.598   6.690  -4.832
  365    H    LYS  52           H        LYS  52  -5.797   9.132  -6.663
  366    HA   LYS  52           HA       LYS  52  -7.000  11.707  -5.519
  367   1HB   LYS  52          1HB       LYS  52  -5.335  11.317  -8.063
  368   2HB   LYS  52          2HB       LYS  52  -5.933  12.854  -7.521
  369   1HG   LYS  52          1HG       LYS  52  -3.598  11.163  -6.461
  370   2HG   LYS  52          2HG       LYS  52  -3.634  12.854  -6.849
  371   1HD   LYS  52          1HD       LYS  52  -5.454  12.284  -4.573
  372   2HD   LYS  52          2HD       LYS  52  -3.846  11.767  -4.188
  373   1HE   LYS  52          1HE       LYS  52  -3.466  13.990  -3.556
  374   2HE   LYS  52          2HE       LYS  52  -3.358  14.349  -5.278
  375   1HZ   LYS  52          1HZ       LYS  52  -6.136  14.281  -4.072
  376   2HZ   LYS  52          2HZ       LYS  52  -5.194  15.593  -3.837
  377   3HZ   LYS  52          3HZ       LYS  52  -5.584  15.214  -5.325
  378    H    ASN  53           H        ASN  53  -7.333  12.131  -8.695
  379    HA   ASN  53           HA       ASN  53 -10.148  11.515  -8.901
  380   1HB   ASN  53          1HB       ASN  53  -9.913  12.221 -11.306
  381   2HB   ASN  53          2HB       ASN  53  -9.084  13.306 -10.224
  382   1HD2  ASN  53          1HD2      ASN  53  -6.888  11.240 -12.955
  383   2HD2  ASN  53          2HD2      ASN  53  -8.609  10.756 -12.611
  384    H    ASN  54           H        ASN  54  -7.815   9.175  -8.913
  385    HA   ASN  54           HA       ASN  54  -8.135   6.794  -9.014
  386   1HB   ASN  54          1HB       ASN  54 -11.015   7.831  -9.387
  387   2HB   ASN  54          2HB       ASN  54 -10.683   6.123  -9.492
  388   1HD2  ASN  54          1HD2      ASN  54  -9.531   7.166  -5.796
  389   2HD2  ASN  54          2HD2      ASN  54  -8.562   7.625  -7.266
  390    H    ASP  55           H        ASP  55  -6.730   7.091 -11.011
  391    HA   ASP  55           HA       ASP  55  -7.927   6.309 -13.593
  392   1HB   ASP  55          1HB       ASP  55  -4.973   6.032 -12.753
  393   2HB   ASP  55          2HB       ASP  55  -5.602   6.193 -14.387
  394    H    GLY  56           H        GLY  56  -6.381   4.396 -11.033
  395   1HA   GLY  56          1HA       GLY  56  -8.096   2.435 -10.579
  396   2HA   GLY  56          2HA       GLY  56  -7.642   1.860 -12.191
  397    H    ARG  57           H        ARG  57  -4.974   3.105 -10.452
  398    HA   ARG  57           HA       ARG  57  -4.126   0.446  -9.323
  399   1HB   ARG  57          1HB       ARG  57  -1.957   0.414 -10.656
  400   2HB   ARG  57          2HB       ARG  57  -3.413   0.029 -11.571
  401   1HG   ARG  57          1HG       ARG  57  -2.601   2.964 -11.560
  402   2HG   ARG  57          2HG       ARG  57  -1.466   1.876 -12.357
  403   1HD   ARG  57          1HD       ARG  57  -3.926   0.992 -13.437
  404   2HD   ARG  57          2HD       ARG  57  -4.249   2.705 -13.172
  405    HE   ARG  57           HE       ARG  57  -1.645   2.855 -14.271
  406   1HH1  ARG  57          2HH1      ARG  57  -4.607   1.533 -15.484
  407   2HH1  ARG  57          1HH1      ARG  57  -3.980   1.585 -17.214
  408   1HH2  ARG  57          1HH2      ARG  57  -1.070   3.058 -16.164
  409   2HH2  ARG  57          2HH2      ARG  57  -2.110   2.549 -17.584
  410    H    ILE  58           H        ILE  58  -2.319   0.573  -7.826
  411    HA   ILE  58           HA       ILE  58  -0.941   3.276  -7.519
  412    HB   ILE  58           HB       ILE  58  -1.113   0.863  -5.650
  413   1HG1  ILE  58          1HG1      ILE  58  -2.124   3.772  -5.353
  414   2HG1  ILE  58          2HG1      ILE  58  -3.116   2.365  -5.615
  415   1HG2  ILE  58          1HG2      ILE  58   1.221   1.824  -5.439
  416   2HG2  ILE  58          2HG2      ILE  58   0.549   3.443  -5.160
  417   3HG2  ILE  58          3HG2      ILE  58   0.291   2.138  -3.978
  418   1HD1  ILE  58          1HD1      ILE  58  -2.433   1.373  -3.383
  419   2HD1  ILE  58          2HD1      ILE  58  -1.519   2.862  -3.030
  420   3HD1  ILE  58          3HD1      ILE  58  -3.281   2.934  -3.253
  421    H    ASP  59           H        ASP  59   0.991   3.534  -8.577
  422    HA   ASP  59           HA       ASP  59   2.957   1.190  -8.604
  423   1HB   ASP  59          1HB       ASP  59   3.963   2.291 -10.600
  424   2HB   ASP  59          2HB       ASP  59   2.248   1.982 -10.832
  425    H    PHE  60           H        PHE  60   5.357   2.235  -8.910
  426    HA   PHE  60           HA       PHE  60   5.971   2.156  -6.090
  427   1HB   PHE  60          1HB       PHE  60   7.436   1.402  -8.090
  428   2HB   PHE  60          2HB       PHE  60   7.932   3.050  -8.287
  429    HD1  PHE  60           HD1      PHE  60   7.463   2.168  -4.790
  430    HD2  PHE  60           HD2      PHE  60  10.334   2.150  -7.985
  431    HE1  PHE  60           HE1      PHE  60   9.262   1.773  -3.168
  432    HE2  PHE  60           HE2      PHE  60  12.142   1.772  -6.345
  433    HZ   PHE  60           HZ       PHE  60  11.607   1.576  -3.933
  434    H    ASP  61           H        ASP  61   5.868   4.977  -8.207
  435    HA   ASP  61           HA       ASP  61   6.653   7.148  -6.421
  436   1HB   ASP  61          1HB       ASP  61   4.190   7.385  -8.333
  437   2HB   ASP  61          2HB       ASP  61   5.579   8.414  -8.088
  438    H    GLU  62           H        GLU  62   3.302   6.302  -7.084
  439    HA   GLU  62           HA       GLU  62   1.922   7.374  -4.784
  440   1HB   GLU  62          1HB       GLU  62   1.124   4.718  -6.029
  441   2HB   GLU  62          2HB       GLU  62   0.101   5.879  -5.239
  442   1HG   GLU  62          1HG       GLU  62   0.929   7.492  -7.316
  443   2HG   GLU  62          2HG       GLU  62   1.221   5.946  -8.089
  444    H    PHE  63           H        PHE  63   4.081   4.594  -4.739
  445    HA   PHE  63           HA       PHE  63   3.227   3.463  -2.085
  446   1HB   PHE  63          1HB       PHE  63   4.643   2.287  -3.943
  447   2HB   PHE  63          2HB       PHE  63   5.990   3.240  -3.411
  448    HD1  PHE  63           HD1      PHE  63   3.439   0.964  -1.697
  449    HD2  PHE  63           HD2      PHE  63   7.564   2.116  -2.118
  450    HE1  PHE  63           HE1      PHE  63   4.085  -0.650   0.042
  451    HE2  PHE  63           HE2      PHE  63   8.184   0.507  -0.395
  452    HZ   PHE  63           HZ       PHE  63   6.450  -0.851   0.734
  453    H    LEU  64           H        LEU  64   5.970   5.520  -3.104
  454    HA   LEU  64           HA       LEU  64   6.983   6.219  -0.497
  455   1HB   LEU  64          1HB       LEU  64   7.097   7.764  -3.137
  456   2HB   LEU  64          2HB       LEU  64   7.942   8.321  -1.713
  457    HG   LEU  64           HG       LEU  64   8.453   5.488  -2.763
  458   1HD1  LEU  64          1HD1      LEU  64   9.706   8.101  -3.856
  459   2HD1  LEU  64          2HD1      LEU  64  10.342   6.461  -4.158
  460   3HD1  LEU  64          3HD1      LEU  64   8.731   6.893  -4.738
  461   1HD2  LEU  64          1HD2      LEU  64  10.215   7.517  -1.200
  462   2HD2  LEU  64          2HD2      LEU  64   9.519   5.994  -0.573
  463   3HD2  LEU  64          3HD2      LEU  64  10.778   5.942  -1.815
  464    H    LYS  65           H        LYS  65   4.315   7.817  -2.223
  465    HA   LYS  65           HA       LYS  65   3.730   9.725   0.012
  466   1HB   LYS  65          1HB       LYS  65   2.509   8.792  -2.621
  467   2HB   LYS  65          2HB       LYS  65   1.535   9.814  -1.581
  468   1HG   LYS  65          1HG       LYS  65   4.356  10.619  -2.592
  469   2HG   LYS  65          2HG       LYS  65   2.888  10.884  -3.550
  470   1HD   LYS  65          1HD       LYS  65   2.821  11.775  -0.656
  471   2HD   LYS  65          2HD       LYS  65   3.821  12.755  -1.732
  472   1HE   LYS  65          1HE       LYS  65   1.845  13.479  -2.996
  473   2HE   LYS  65          2HE       LYS  65   0.885  12.101  -2.427
  474   1HZ   LYS  65          1HZ       LYS  65   1.935  13.974  -0.298
  475   2HZ   LYS  65          2HZ       LYS  65   0.672  14.481  -1.195
  476   3HZ   LYS  65          3HZ       LYS  65   0.513  13.140  -0.323
  477    H    MET  66           H        MET  66   1.819   6.921  -1.205
  478    HA   MET  66           HA       MET  66  -0.013   6.380   0.725
  479   1HB   MET  66          1HB       MET  66   0.159   4.790  -1.031
  480   2HB   MET  66          2HB       MET  66   1.845   4.443  -0.709
  481   1HG   MET  66          1HG       MET  66   0.295   3.637   1.659
  482   2HG   MET  66          2HG       MET  66  -0.399   2.898   0.203
  483   1HE   MET  66          1HE       MET  66   1.516   2.183  -1.842
  484   2HE   MET  66          2HE       MET  66   2.228   0.645  -1.269
  485   3HE   MET  66          3HE       MET  66   0.486   0.972  -1.016
  486    H    MET  67           H        MET  67   3.368   5.293   1.306
  487    HA   MET  67           HA       MET  67   2.836   4.854   4.242
  488   1HB   MET  67          1HB       MET  67   4.275   3.243   3.002
  489   2HB   MET  67          2HB       MET  67   5.363   4.527   2.513
  490   1HG   MET  67          1HG       MET  67   6.032   4.940   4.924
  491   2HG   MET  67          2HG       MET  67   4.989   3.599   5.436
  492   1HE   MET  67          1HE       MET  67   5.108   1.497   5.120
  493   2HE   MET  67          2HE       MET  67   5.985   0.603   3.842
  494   3HE   MET  67          3HE       MET  67   6.709   0.778   5.473
  495    H    GLU  68           H        GLU  68   4.721   7.218   2.290
  496    HA   GLU  68           HA       GLU  68   5.537   8.666   4.814
  497   1HB   GLU  68          1HB       GLU  68   7.286   6.844   3.883
  498   2HB   GLU  68          2HB       GLU  68   7.788   8.160   2.866
  499   1HG   GLU  68          1HG       GLU  68   9.105   7.841   5.090
  500   2HG   GLU  68          2HG       GLU  68   8.594   9.485   4.750
  501    H    GLY  69           H        GLY  69   3.680   9.345   2.770
  502   1HA   GLY  69          1HA       GLY  69   4.621  11.819   1.310
  503   2HA   GLY  69          2HA       GLY  69   2.938  11.384   1.636
  504    H    VAL  70           H        VAL  70   3.564  13.920   1.865
  505    HA   VAL  70           HA       VAL  70   4.778  14.696   4.485
  506    HB   VAL  70           HB       VAL  70   5.417  15.924   2.480
  507   1HG1  VAL  70          1HG1      VAL  70   2.477  16.901   2.274
  508   2HG1  VAL  70          2HG1      VAL  70   3.838  17.547   1.321
  509   3HG1  VAL  70          3HG1      VAL  70   3.330  15.872   1.097
  510   1HG2  VAL  70          1HG2      VAL  70   5.472  17.226   4.647
  511   2HG2  VAL  70          2HG2      VAL  70   5.157  18.286   3.282
  512   3HG2  VAL  70          3HG2      VAL  70   3.818  17.812   4.368
  513    H    GLN  71           H        GLN  71   3.740  16.350   5.882
  514    HA   GLN  71           HA       GLN  71   0.749  16.421   6.004
  515   1HB   GLN  71          1HB       GLN  71   1.128  14.256   7.048
  516   2HB   GLN  71          2HB       GLN  71   2.329  14.914   8.157
  517   1HG   GLN  71          1HG       GLN  71   0.230  14.618   9.389
  518   2HG   GLN  71          2HG       GLN  71   0.473  16.349   9.246
  519   1HE2  GLN  71          1HE2      GLN  71  -3.083  15.579   8.472
  520   2HE2  GLN  71          2HE2      GLN  71  -1.924  15.255   9.875
  521   1HN   NH2  72          1HN       NH2  72   2.703  16.846   9.002
  522   2HN   NH2  72          2HN       NH2  72   2.657  18.630   9.018
   
  No H/Q in entry =         522
  Start of MODEL   21
    1   1H    ACE   1          1HH3      ACE   1  22.990   9.584  -0.310
    2   2H    ACE   1          2HH3      ACE   1  22.276  11.095   0.359
    3   3H    ACE   1          3HH3      ACE   1  22.379   9.619   1.359
    4    H    LYS   2           H        LYS   2  20.902  10.801  -1.671
    5    HA   LYS   2           HA       LYS   2  18.330   9.463  -1.036
    6   1HB   LYS   2          1HB       LYS   2  18.912  10.804  -3.707
    7   2HB   LYS   2          2HB       LYS   2  17.367  10.689  -2.893
    8   1HG   LYS   2          1HG       LYS   2  17.789  12.888  -2.174
    9   2HG   LYS   2          2HG       LYS   2  18.930  12.199  -1.048
   10   1HD   LYS   2          1HD       LYS   2  20.783  12.441  -2.814
   11   2HD   LYS   2          2HD       LYS   2  19.620  13.187  -3.912
   12   1HE   LYS   2          1HE       LYS   2  19.137  14.737  -1.673
   13   2HE   LYS   2          2HE       LYS   2  20.844  14.367  -1.367
   14   1HZ   LYS   2          1HZ       LYS   2  19.998  15.189  -4.141
   15   2HZ   LYS   2          2HZ       LYS   2  20.109  16.365  -3.114
   16   3HZ   LYS   2          3HZ       LYS   2  21.454  15.466  -3.496
   17    H    SER   3           H        SER   3  18.926   7.239  -1.064
   18    HA   SER   3           HA       SER   3  19.093   5.980  -3.848
   19   1HB   SER   3          1HB       SER   3  20.776   5.743  -1.707
   20   2HB   SER   3          2HB       SER   3  19.738   4.382  -1.356
   21    HG   SER   3           HG       SER   3  20.140   4.198  -3.938
   22    H    GLU   4           H        GLU   4  18.063   3.827  -4.092
   23    HA   GLU   4           HA       GLU   4  15.437   3.484  -2.667
   24   1HB   GLU   4          1HB       GLU   4  15.393   4.063  -5.645
   25   2HB   GLU   4          2HB       GLU   4  14.129   3.244  -4.760
   26   1HG   GLU   4          1HG       GLU   4  13.463   5.602  -5.095
   27   2HG   GLU   4          2HG       GLU   4  13.745   5.380  -3.372
   28    H    GLU   5           H        GLU   5  18.060   2.074  -3.123
   29    HA   GLU   5           HA       GLU   5  17.731  -0.383  -4.469
   30   1HB   GLU   5          1HB       GLU   5  19.862  -0.199  -3.834
   31   2HB   GLU   5          2HB       GLU   5  19.508   0.620  -2.343
   32   1HG   GLU   5          1HG       GLU   5  18.824  -1.819  -1.423
   33   2HG   GLU   5          2HG       GLU   5  19.692  -2.420  -2.824
   34    H    GLU   6           H        GLU   6  16.958  -0.032  -0.998
   35    HA   GLU   6           HA       GLU   6  15.878  -2.813  -0.925
   36   1HB   GLU   6          1HB       GLU   6  16.821  -0.820   1.089
   37   2HB   GLU   6          2HB       GLU   6  15.605  -1.917   1.669
   38   1HG   GLU   6          1HG       GLU   6  17.939  -3.244   0.231
   39   2HG   GLU   6          2HG       GLU   6  18.338  -2.442   1.739
   40    H    LEU   7           H        LEU   7  14.393   0.376  -0.764
   41    HA   LEU   7           HA       LEU   7  11.612  -0.644  -0.381
   42   1HB   LEU   7          1HB       LEU   7  12.689   2.038  -1.407
   43   2HB   LEU   7          2HB       LEU   7  10.985   1.714  -1.207
   44    HG   LEU   7           HG       LEU   7  12.617   1.186   1.266
   45   1HD1  LEU   7          1HD1      LEU   7  13.840   3.161   0.373
   46   2HD1  LEU   7          2HD1      LEU   7  12.318   4.068   0.176
   47   3HD1  LEU   7          3HD1      LEU   7  12.898   3.617   1.800
   48   1HD2  LEU   7          1HD2      LEU   7  10.008   2.791   0.733
   49   2HD2  LEU   7          2HD2      LEU   7  10.129   1.139   1.398
   50   3HD2  LEU   7          3HD2      LEU   7  10.728   2.507   2.339
   51    H    ALA   8           H        ALA   8  13.583  -0.008  -3.290
   52    HA   ALA   8           HA       ALA   8  11.583  -0.920  -5.210
   53   1HB   ALA   8          1HB       ALA   8  14.675  -0.906  -5.332
   54   2HB   ALA   8          2HB       ALA   8  13.599  -1.126  -6.726
   55   3HB   ALA   8          3HB       ALA   8  13.578   0.401  -5.835
   56    H    ASN   9           H        ASN   9  14.363  -2.931  -3.971
   57    HA   ASN   9           HA       ASN   9  13.297  -5.543  -4.381
   58   1HB   ASN   9          1HB       ASN   9  14.657  -4.626  -1.754
   59   2HB   ASN   9          2HB       ASN   9  14.606  -6.250  -2.383
   60   1HD2  ASN   9          1HD2      ASN   9  17.904  -5.226  -3.419
   61   2HD2  ASN   9          2HD2      ASN   9  16.970  -5.947  -2.033
   62    H    ALA  10           H        ALA  10  12.318  -3.326  -1.774
   63    HA   ALA  10           HA       ALA  10  10.413  -5.146  -0.468
   64   1HB   ALA  10          1HB       ALA  10  11.597  -3.240   0.637
   65   2HB   ALA  10          2HB       ALA  10  10.656  -2.063  -0.316
   66   3HB   ALA  10          3HB       ALA  10   9.841  -3.112   0.864
   67    H    PHE  11           H        PHE  11   9.634  -2.241  -2.463
   68    HA   PHE  11           HA       PHE  11   6.830  -2.751  -2.879
   69   1HB   PHE  11          1HB       PHE  11   7.956  -0.604  -3.371
   70   2HB   PHE  11          2HB       PHE  11   8.861  -1.312  -4.666
   71    HD1  PHE  11           HD1      PHE  11   7.747  -1.880  -6.901
   72    HD2  PHE  11           HD2      PHE  11   5.555   0.030  -3.729
   73    HE1  PHE  11           HE1      PHE  11   6.081  -1.068  -8.524
   74    HE2  PHE  11           HE2      PHE  11   3.901   0.829  -5.366
   75    HZ   PHE  11           HZ       PHE  11   4.169   0.305  -7.758
   76    H    ARG  12           H        ARG  12   9.546  -3.966  -4.827
   77    HA   ARG  12           HA       ARG  12   7.960  -5.543  -6.739
   78   1HB   ARG  12          1HB       ARG  12  10.878  -5.659  -5.828
   79   2HB   ARG  12          2HB       ARG  12  10.242  -6.893  -6.909
   80   1HG   ARG  12          1HG       ARG  12  10.004  -3.867  -7.512
   81   2HG   ARG  12          2HG       ARG  12  11.426  -4.803  -7.991
   82   1HD   ARG  12          1HD       ARG  12  10.226  -6.104  -9.601
   83   2HD   ARG  12          2HD       ARG  12   8.651  -5.828  -8.808
   84    HE   ARG  12           HE       ARG  12   9.003  -3.279  -9.504
   85   1HH1  ARG  12          2HH1      ARG  12  10.333  -5.865 -11.388
   86   2HH1  ARG  12          1HH1      ARG  12  10.408  -4.836 -12.898
   87   1HH2  ARG  12          1HH2      ARG  12   9.062  -2.156 -11.208
   88   2HH2  ARG  12          2HH2      ARG  12   9.702  -2.821 -12.781
   89    H    ILE  13           H        ILE  13   9.324  -6.415  -3.545
   90    HA   ILE  13           HA       ILE  13   8.917  -9.356  -3.873
   91    HB   ILE  13           HB       ILE  13   9.795  -7.600  -1.540
   92   1HG1  ILE  13          1HG1      ILE  13  11.439  -8.427  -3.457
   93   2HG1  ILE  13          2HG1      ILE  13  11.953  -8.468  -1.792
   94   1HG2  ILE  13          1HG2      ILE  13   8.395  -9.413  -0.475
   95   2HG2  ILE  13          2HG2      ILE  13   9.308 -10.666  -1.350
   96   3HG2  ILE  13          3HG2      ILE  13  10.088  -9.677  -0.100
   97   1HD1  ILE  13          1HD1      ILE  13  11.447 -10.925  -1.590
   98   2HD1  ILE  13          2HD1      ILE  13  10.974 -10.963  -3.307
   99   3HD1  ILE  13          3HD1      ILE  13  12.643 -10.565  -2.855
  100    H    PHE  14           H        PHE  14   7.097  -6.712  -2.443
  101    HA   PHE  14           HA       PHE  14   4.751  -8.187  -1.357
  102   1HB   PHE  14          1HB       PHE  14   5.218  -5.363  -2.461
  103   2HB   PHE  14          2HB       PHE  14   3.590  -5.915  -2.244
  104    HD1  PHE  14           HD1      PHE  14   4.141  -7.613   0.378
  105    HD2  PHE  14           HD2      PHE  14   5.165  -3.610  -0.794
  106    HE1  PHE  14           HE1      PHE  14   4.149  -6.922   2.742
  107    HE2  PHE  14           HE2      PHE  14   5.193  -2.929   1.573
  108    HZ   PHE  14           HZ       PHE  14   4.654  -4.580   3.346
  109    H    ASP  15           H        ASP  15   5.363  -6.780  -4.640
  110    HA   ASP  15           HA       ASP  15   2.673  -7.234  -5.707
  111   1HB   ASP  15          1HB       ASP  15   4.340  -5.604  -6.617
  112   2HB   ASP  15          2HB       ASP  15   5.381  -6.914  -7.154
  113    H    LYS  16           H        LYS  16   1.929  -8.784  -7.266
  114    HA   LYS  16           HA       LYS  16   3.116 -11.545  -6.852
  115   1HB   LYS  16          1HB       LYS  16   0.204 -10.766  -6.298
  116   2HB   LYS  16          2HB       LYS  16   0.584 -12.396  -6.780
  117   1HG   LYS  16          1HG       LYS  16   2.375 -11.760  -4.570
  118   2HG   LYS  16          2HG       LYS  16   0.827 -11.034  -4.156
  119   1HD   LYS  16          1HD       LYS  16   0.243 -13.083  -3.327
  120   2HD   LYS  16          2HD       LYS  16  -0.041 -13.501  -5.015
  121   1HE   LYS  16          1HE       LYS  16   2.515 -14.169  -3.452
  122   2HE   LYS  16          2HE       LYS  16   1.288 -15.323  -4.012
  123   1HZ   LYS  16          1HZ       LYS  16   2.721 -13.461  -5.949
  124   2HZ   LYS  16          2HZ       LYS  16   3.328 -14.922  -5.566
  125   3HZ   LYS  16          3HZ       LYS  16   1.891 -14.831  -6.358
  126    H    ASN  17           H        ASN  17   3.110  -9.551  -9.076
  127    HA   ASN  17           HA       ASN  17   2.886 -11.719 -11.165
  128   1HB   ASN  17          1HB       ASN  17   0.726 -11.032 -11.535
  129   2HB   ASN  17          2HB       ASN  17   0.982  -9.405 -10.964
  130   1HD2  ASN  17          1HD2      ASN  17   1.288 -10.096 -14.937
  131   2HD2  ASN  17          2HD2      ASN  17   1.754 -11.432 -13.833
  132    H    ALA  18           H        ALA  18   3.932  -8.432 -10.372
  133    HA   ALA  18           HA       ALA  18   6.180  -7.583 -10.602
  134   1HB   ALA  18          1HB       ALA  18   6.768 -10.027 -10.392
  135   2HB   ALA  18          2HB       ALA  18   6.600 -10.214 -12.152
  136   3HB   ALA  18          3HB       ALA  18   7.882  -9.178 -11.499
  137    H    ASP  19           H        ASP  19   4.141  -6.804 -12.537
  138    HA   ASP  19           HA       ASP  19   5.995  -5.714 -14.715
  139   1HB   ASP  19          1HB       ASP  19   3.363  -6.486 -14.951
  140   2HB   ASP  19          2HB       ASP  19   3.110  -4.791 -14.558
  141    H    GLY  20           H        GLY  20   5.850  -5.175 -11.632
  142   1HA   GLY  20          1HA       GLY  20   6.704  -3.343 -10.298
  143   2HA   GLY  20          2HA       GLY  20   6.836  -2.411 -11.794
  144    H    TYR  21           H        TYR  21   3.605  -3.437 -11.225
  145    HA   TYR  21           HA       TYR  21   2.871  -0.853  -9.745
  146   1HB   TYR  21          1HB       TYR  21   1.119  -2.797 -11.381
  147   2HB   TYR  21          2HB       TYR  21   0.481  -1.470 -10.454
  148    HD1  TYR  21           HD1      TYR  21   3.685  -0.712 -12.127
  149    HD2  TYR  21           HD2      TYR  21  -0.581  -0.826 -12.664
  150    HE1  TYR  21           HE1      TYR  21   3.883   0.672 -14.166
  151    HE2  TYR  21           HE2      TYR  21  -0.354   0.561 -14.686
  152    HH   TYR  21           HH       TYR  21   2.676   2.081 -15.522
  153    H    ILE  22           H        ILE  22   1.116  -0.968  -8.156
  154    HA   ILE  22           HA       ILE  22   0.709  -3.657  -6.729
  155    HB   ILE  22           HB       ILE  22   1.242  -0.940  -5.418
  156   1HG1  ILE  22          1HG1      ILE  22   2.841  -3.573  -5.422
  157   2HG1  ILE  22          2HG1      ILE  22   3.377  -1.993  -5.923
  158   1HG2  ILE  22          1HG2      ILE  22  -0.601  -2.120  -4.138
  159   2HG2  ILE  22          2HG2      ILE  22   0.405  -3.574  -3.992
  160   3HG2  ILE  22          3HG2      ILE  22   0.865  -2.059  -3.174
  161   1HD1  ILE  22          1HD1      ILE  22   3.241  -1.127  -3.531
  162   2HD1  ILE  22          2HD1      ILE  22   2.892  -2.791  -2.996
  163   3HD1  ILE  22          3HD1      ILE  22   4.437  -2.422  -3.791
  164    H    ASP  23           H        ASP  23  -1.390  -4.225  -6.450
  165    HA   ASP  23           HA       ASP  23  -3.443  -2.290  -7.641
  166   1HB   ASP  23          1HB       ASP  23  -4.722  -4.582  -8.071
  167   2HB   ASP  23          2HB       ASP  23  -3.408  -4.094  -9.132
  168    H    ILE  24           H        ILE  24  -5.657  -2.494  -6.874
  169    HA   ILE  24           HA       ILE  24  -6.063  -2.266  -3.936
  170    HB   ILE  24           HB       ILE  24  -7.630  -1.440  -5.901
  171   1HG1  ILE  24          1HG1      ILE  24  -8.990  -2.543  -3.352
  172   2HG1  ILE  24          2HG1      ILE  24  -8.016  -1.098  -3.363
  173   1HG2  ILE  24          1HG2      ILE  24  -8.210  -3.715  -6.865
  174   2HG2  ILE  24          2HG2      ILE  24  -8.941  -4.197  -5.322
  175   3HG2  ILE  24          3HG2      ILE  24  -9.661  -2.899  -6.308
  176   1HD1  ILE  24          1HD1      ILE  24  -9.554  -0.012  -5.077
  177   2HD1  ILE  24          2HD1      ILE  24 -10.658  -1.399  -4.902
  178   3HD1  ILE  24          3HD1      ILE  24 -10.319  -0.357  -3.504
  179    H    GLU  25           H        GLU  25  -5.925  -4.973  -6.137
  180    HA   GLU  25           HA       GLU  25  -7.337  -6.909  -4.333
  181   1HB   GLU  25          1HB       GLU  25  -6.268  -6.988  -7.127
  182   2HB   GLU  25          2HB       GLU  25  -6.284  -8.514  -6.296
  183   1HG   GLU  25          1HG       GLU  25  -8.809  -8.279  -5.914
  184   2HG   GLU  25          2HG       GLU  25  -8.791  -6.735  -6.746
  185    H    GLU  26           H        GLU  26  -4.080  -5.905  -4.728
  186    HA   GLU  26           HA       GLU  26  -2.797  -8.121  -3.164
  187   1HB   GLU  26          1HB       GLU  26  -0.804  -7.017  -3.325
  188   2HB   GLU  26          2HB       GLU  26  -1.595  -6.551  -4.800
  189   1HG   GLU  26          1HG       GLU  26  -0.991  -4.384  -4.291
  190   2HG   GLU  26          2HG       GLU  26  -2.250  -4.377  -3.070
  191    H    LEU  27           H        LEU  27  -4.103  -4.924  -2.370
  192    HA   LEU  27           HA       LEU  27  -3.080  -4.391   0.237
  193   1HB   LEU  27          1HB       LEU  27  -4.414  -2.799  -1.052
  194   2HB   LEU  27          2HB       LEU  27  -5.848  -3.785  -0.938
  195    HG   LEU  27           HG       LEU  27  -5.451  -3.399   1.757
  196   1HD1  LEU  27          1HD1      LEU  27  -3.377  -2.048   1.427
  197   2HD1  LEU  27          2HD1      LEU  27  -4.274  -0.841   0.462
  198   3HD1  LEU  27          3HD1      LEU  27  -4.648  -1.097   2.191
  199   1HD2  LEU  27          1HD2      LEU  27  -6.821  -1.319  -0.107
  200   2HD2  LEU  27          2HD2      LEU  27  -7.572  -2.808   0.540
  201   3HD2  LEU  27          3HD2      LEU  27  -7.095  -1.515   1.647
  202    H    GLY  28           H        GLY  28  -6.425  -5.792   0.032
  203   1HA   GLY  28          1HA       GLY  28  -6.769  -5.766   2.938
  204   2HA   GLY  28          2HA       GLY  28  -7.725  -6.750   1.823
  205    H    GLU  29           H        GLU  29  -5.795  -8.489   0.823
  206    HA   GLU  29           HA       GLU  29  -5.515 -10.410   3.045
  207   1HB   GLU  29          1HB       GLU  29  -4.919 -12.050   1.445
  208   2HB   GLU  29          2HB       GLU  29  -6.216 -11.095   0.796
  209   1HG   GLU  29          1HG       GLU  29  -4.826 -10.126  -0.938
  210   2HG   GLU  29          2HG       GLU  29  -3.330 -10.450  -0.081
  211    H    ILE  30           H        ILE  30  -3.136  -8.457   1.334
  212    HA   ILE  30           HA       ILE  30  -0.680  -9.211   2.822
  213    HB   ILE  30           HB       ILE  30  -1.595  -6.622   1.504
  214   1HG1  ILE  30          1HG1      ILE  30  -0.649  -7.843  -0.248
  215   2HG1  ILE  30          2HG1      ILE  30   0.771  -7.010   0.325
  216   1HG2  ILE  30          1HG2      ILE  30  -0.332  -5.883   3.558
  217   2HG2  ILE  30          2HG2      ILE  30   1.041  -6.928   3.112
  218   3HG2  ILE  30          3HG2      ILE  30   0.593  -5.524   2.104
  219   1HD1  ILE  30          1HD1      ILE  30   0.178  -9.949   1.082
  220   2HD1  ILE  30          2HD1      ILE  30   1.340  -9.356  -0.124
  221   3HD1  ILE  30          3HD1      ILE  30   1.586  -8.984   1.594
  222    H    LEU  31           H        LEU  31  -2.810  -6.418   3.506
  223    HA   LEU  31           HA       LEU  31  -1.594  -5.753   6.042
  224   1HB   LEU  31          1HB       LEU  31  -3.668  -4.413   6.544
  225   2HB   LEU  31          2HB       LEU  31  -2.894  -4.045   5.022
  226    HG   LEU  31           HG       LEU  31  -4.686  -5.658   3.921
  227   1HD1  LEU  31          1HD1      LEU  31  -6.026  -5.097   6.653
  228   2HD1  LEU  31          2HD1      LEU  31  -6.853  -5.745   5.210
  229   3HD1  LEU  31          3HD1      LEU  31  -5.561  -6.681   5.970
  230   1HD2  LEU  31          1HD2      LEU  31  -5.497  -2.908   5.111
  231   2HD2  LEU  31          2HD2      LEU  31  -4.766  -3.206   3.509
  232   3HD2  LEU  31          3HD2      LEU  31  -6.404  -3.777   3.845
  233    H    ARG  32           H        ARG  32  -4.273  -7.993   5.480
  234    HA   ARG  32           HA       ARG  32  -4.687  -8.621   8.357
  235   1HB   ARG  32          1HB       ARG  32  -6.424  -8.586   6.582
  236   2HB   ARG  32          2HB       ARG  32  -5.645  -9.913   5.722
  237   1HG   ARG  32          1HG       ARG  32  -7.434 -10.965   6.915
  238   2HG   ARG  32          2HG       ARG  32  -6.023 -11.303   7.936
  239   1HD   ARG  32          1HD       ARG  32  -7.367  -8.678   8.586
  240   2HD   ARG  32          2HD       ARG  32  -8.423 -10.088   8.827
  241    HE   ARG  32           HE       ARG  32  -5.762 -10.692   9.949
  242   1HH1  ARG  32          2HH1      ARG  32  -8.554  -8.766  10.705
  243   2HH1  ARG  32          1HH1      ARG  32  -8.180  -8.793  12.493
  244   1HH2  ARG  32          1HH2      ARG  32  -5.385 -10.717  11.971
  245   2HH2  ARG  32          2HH2      ARG  32  -6.475  -9.859  13.154
  246    H    ALA  33           H        ALA  33  -3.711 -10.904   5.772
  247    HA   ALA  33           HA       ALA  33  -3.399 -13.043   7.660
  248   1HB   ALA  33          1HB       ALA  33  -4.072 -13.309   5.278
  249   2HB   ALA  33          2HB       ALA  33  -2.429 -12.876   4.730
  250   3HB   ALA  33          3HB       ALA  33  -2.704 -14.370   5.654
  251    H    THR  34           H        THR  34  -0.960 -10.787   6.756
  252    HA   THR  34           HA       THR  34   1.463 -12.278   6.907
  253    HB   THR  34           HB       THR  34   1.187  -9.391   7.937
  254    HG1  THR  34           HG1      THR  34   0.308  -9.598   5.861
  255   1HG2  THR  34          2HG2      THR  34   3.459 -10.576   8.246
  256   2HG2  THR  34          3HG2      THR  34   3.531 -10.806   6.480
  257   3HG2  THR  34          1HG2      THR  34   3.546  -9.168   7.156
  258    H    GLY  35           H        GLY  35   2.574 -13.323   8.541
  259   1HA   GLY  35          1HA       GLY  35   2.598 -13.314  11.286
  260   2HA   GLY  35          2HA       GLY  35   0.899 -13.747  11.062
  261   1HN   NH2  36          1HN       NH2  36   3.679 -15.126  12.016
  262   2HN   NH2  36          2HN       NH2  36   3.551 -16.756  11.301
  263   1H    ACE  37          1HH3      ACE  37 -15.584  -4.810  12.297
  264   2H    ACE  37          2HH3      ACE  37 -14.463  -3.981  13.430
  265   3H    ACE  37          3HH3      ACE  37 -16.031  -3.241  13.018
  266    H    VAL  38           H        VAL  38 -13.055  -4.402  11.435
  267    HA   VAL  38           HA       VAL  38 -13.194  -2.226   9.282
  268    HB   VAL  38           HB       VAL  38 -11.052  -4.400   9.572
  269   1HG1  VAL  38          1HG1      VAL  38 -11.106  -1.765   7.927
  270   2HG1  VAL  38          2HG1      VAL  38  -9.664  -2.786   8.131
  271   3HG1  VAL  38          3HG1      VAL  38 -11.078  -3.416   7.281
  272   1HG2  VAL  38          1HG2      VAL  38 -10.954  -2.895  11.607
  273   2HG2  VAL  38          2HG2      VAL  38  -9.555  -2.613  10.548
  274   3HG2  VAL  38          3HG2      VAL  38 -10.916  -1.464  10.553
  275    H    THR  39           H        THR  39 -14.470  -2.641   7.621
  276    HA   THR  39           HA       THR  39 -15.167  -5.529   6.851
  277    HB   THR  39           HB       THR  39 -17.392  -4.924   6.200
  278    HG1  THR  39           HG1      THR  39 -16.745  -2.729   5.498
  279   1HG2  THR  39          2HG2      THR  39 -16.756  -3.493   8.878
  280   2HG2  THR  39          3HG2      THR  39 -18.374  -4.015   8.348
  281   3HG2  THR  39          1HG2      THR  39 -17.116  -5.225   8.679
  282    H    GLU  40           H        GLU  40 -16.243  -5.181   4.430
  283    HA   GLU  40           HA       GLU  40 -14.045  -4.483   2.546
  284   1HB   GLU  40          1HB       GLU  40 -16.790  -5.614   2.327
  285   2HB   GLU  40          2HB       GLU  40 -16.315  -4.655   0.958
  286   1HG   GLU  40          1HG       GLU  40 -15.839  -7.121   0.634
  287   2HG   GLU  40          2HG       GLU  40 -14.380  -6.162   0.469
  288    H    GLU  41           H        GLU  41 -17.014  -2.810   3.540
  289    HA   GLU  41           HA       GLU  41 -16.843  -0.625   1.679
  290   1HB   GLU  41          1HB       GLU  41 -18.346  -0.950   4.293
  291   2HB   GLU  41          2HB       GLU  41 -18.418   0.562   3.440
  292   1HG   GLU  41          1HG       GLU  41 -19.088  -1.298   1.388
  293   2HG   GLU  41          2HG       GLU  41 -19.797  -2.037   2.812
  294    H    ASP  42           H        ASP  42 -15.572  -0.685   4.989
  295    HA   ASP  42           HA       ASP  42 -14.374   2.039   5.040
  296   1HB   ASP  42          1HB       ASP  42 -13.935  -0.543   6.643
  297   2HB   ASP  42          2HB       ASP  42 -12.887   0.848   6.883
  298    H    ILE  43           H        ILE  43 -13.315  -1.064   3.754
  299    HA   ILE  43           HA       ILE  43 -10.458  -0.322   3.190
  300    HB   ILE  43           HB       ILE  43 -12.237  -2.637   2.368
  301   1HG1  ILE  43          1HG1      ILE  43 -10.420  -4.071   3.267
  302   2HG1  ILE  43          2HG1      ILE  43  -9.352  -2.707   3.456
  303   1HG2  ILE  43          1HG2      ILE  43 -11.104  -2.026   0.195
  304   2HG2  ILE  43          2HG2      ILE  43  -9.518  -2.026   0.990
  305   3HG2  ILE  43          3HG2      ILE  43 -10.443  -3.536   0.803
  306   1HD1  ILE  43          1HD1      ILE  43 -10.846  -1.682   5.223
  307   2HD1  ILE  43          2HD1      ILE  43 -11.878  -3.135   5.165
  308   3HD1  ILE  43          3HD1      ILE  43 -10.179  -3.269   5.668
  309    H    GLU  44           H        GLU  44 -13.437  -0.465   1.169
  310    HA   GLU  44           HA       GLU  44 -11.986   0.385  -1.312
  311   1HB   GLU  44          1HB       GLU  44 -14.708  -0.599  -0.654
  312   2HB   GLU  44          2HB       GLU  44 -14.702   0.601  -1.911
  313   1HG   GLU  44          1HG       GLU  44 -12.608  -1.325  -2.604
  314   2HG   GLU  44          2HG       GLU  44 -14.009  -2.253  -2.102
  315    H    ASP  45           H        ASP  45 -13.825   2.006   1.174
  316    HA   ASP  45           HA       ASP  45 -13.961   4.677  -0.196
  317   1HB   ASP  45          1HB       ASP  45 -14.584   3.691   2.648
  318   2HB   ASP  45          2HB       ASP  45 -14.613   5.405   2.256
  319    H    LEU  46           H        LEU  46 -11.739   3.125   2.084
  320    HA   LEU  46           HA       LEU  46  -9.863   5.412   2.354
  321   1HB   LEU  46          1HB       LEU  46 -10.016   3.472   3.913
  322   2HB   LEU  46          2HB       LEU  46  -9.386   2.391   2.693
  323    HG   LEU  46           HG       LEU  46  -7.657   2.993   4.406
  324   1HD1  LEU  46          1HD1      LEU  46  -7.136   2.476   1.884
  325   2HD1  LEU  46          2HD1      LEU  46  -6.702   4.206   1.756
  326   3HD1  LEU  46          3HD1      LEU  46  -5.855   3.136   2.910
  327   1HD2  LEU  46          1HD2      LEU  46  -7.998   5.853   3.312
  328   2HD2  LEU  46          2HD2      LEU  46  -8.176   5.328   5.011
  329   3HD2  LEU  46          3HD2      LEU  46  -6.574   5.333   4.216
  330    H    MET  47           H        MET  47  -9.434   2.510   0.287
  331    HA   MET  47           HA       MET  47  -7.245   3.464  -1.283
  332   1HB   MET  47          1HB       MET  47  -8.099   1.117  -1.314
  333   2HB   MET  47          2HB       MET  47  -9.524   1.621  -2.207
  334   1HG   MET  47          1HG       MET  47  -8.117   0.755  -3.929
  335   2HG   MET  47          2HG       MET  47  -7.892   2.507  -4.076
  336   1HE   MET  47          1HE       MET  47  -5.954   0.841  -5.474
  337   2HE   MET  47          2HE       MET  47  -5.647   2.585  -5.233
  338   3HE   MET  47          3HE       MET  47  -4.339   1.407  -4.921
  339    H    LYS  48           H        LYS  48 -10.715   3.979  -1.928
  340    HA   LYS  48           HA       LYS  48 -10.286   5.403  -4.519
  341   1HB   LYS  48          1HB       LYS  48 -12.560   5.253  -4.803
  342   2HB   LYS  48          2HB       LYS  48 -12.276   3.858  -3.808
  343   1HG   LYS  48          1HG       LYS  48 -14.199   4.749  -2.727
  344   2HG   LYS  48          2HG       LYS  48 -12.964   5.512  -1.777
  345   1HD   LYS  48          1HD       LYS  48 -13.999   7.469  -2.172
  346   2HD   LYS  48          2HD       LYS  48 -13.174   7.507  -3.695
  347   1HE   LYS  48          1HE       LYS  48 -15.437   7.930  -4.365
  348   2HE   LYS  48          2HE       LYS  48 -15.349   6.197  -4.625
  349   1HZ   LYS  48          1HZ       LYS  48 -16.173   6.935  -1.855
  350   2HZ   LYS  48          2HZ       LYS  48 -17.246   7.275  -3.036
  351   3HZ   LYS  48          3HZ       LYS  48 -16.802   5.767  -2.846
  352    H    ASP  49           H        ASP  49 -10.553   6.401  -1.194
  353    HA   ASP  49           HA       ASP  49 -10.681   9.368  -1.753
  354   1HB   ASP  49          1HB       ASP  49 -11.423   8.485   0.456
  355   2HB   ASP  49          2HB       ASP  49  -9.824   7.833   0.785
  356    H    SER  50           H        SER  50  -8.091   6.996  -1.165
  357    HA   SER  50           HA       SER  50  -5.940   8.969  -0.885
  358   1HB   SER  50          1HB       SER  50  -5.651   6.805   0.163
  359   2HB   SER  50          2HB       SER  50  -5.930   5.922  -1.334
  360    HG   SER  50           HG       SER  50  -3.744   5.995  -0.878
  361    H    ASP  51           H        ASP  51  -6.992   7.068  -3.690
  362    HA   ASP  51           HA       ASP  51  -4.675   7.613  -5.374
  363   1HB   ASP  51          1HB       ASP  51  -6.418   5.659  -5.445
  364   2HB   ASP  51          2HB       ASP  51  -7.433   6.720  -6.412
  365    H    LYS  52           H        LYS  52  -4.592   8.671  -7.440
  366    HA   LYS  52           HA       LYS  52  -5.774  11.432  -7.692
  367   1HB   LYS  52          1HB       LYS  52  -4.486   9.845  -9.943
  368   2HB   LYS  52          2HB       LYS  52  -4.502  11.571  -9.752
  369   1HG   LYS  52          1HG       LYS  52  -2.618   9.480  -8.592
  370   2HG   LYS  52          2HG       LYS  52  -2.266  11.074  -9.181
  371   1HD   LYS  52          1HD       LYS  52  -3.871  11.133  -6.654
  372   2HD   LYS  52          2HD       LYS  52  -2.327  10.382  -6.423
  373   1HE   LYS  52          1HE       LYS  52  -1.998  12.755  -5.911
  374   2HE   LYS  52          2HE       LYS  52  -1.232  12.522  -7.481
  375   1HZ   LYS  52          1HZ       LYS  52  -4.151  13.391  -7.409
  376   2HZ   LYS  52          2HZ       LYS  52  -2.929  14.509  -7.378
  377   3HZ   LYS  52          3HZ       LYS  52  -3.143  13.481  -8.628
  378    H    ASN  53           H        ASN  53  -6.221  10.617 -10.690
  379    HA   ASN  53           HA       ASN  53  -9.087  10.911 -10.480
  380   1HB   ASN  53          1HB       ASN  53  -9.006  10.641 -13.071
  381   2HB   ASN  53          2HB       ASN  53  -8.021  11.901 -12.380
  382   1HD2  ASN  53          1HD2      ASN  53  -6.131   8.756 -14.172
  383   2HD2  ASN  53          2HD2      ASN  53  -7.840   8.553 -13.578
  384    H    ASN  54           H        ASN  54  -7.558   8.025  -9.975
  385    HA   ASN  54           HA       ASN  54  -8.581   5.959  -9.291
  386   1HB   ASN  54          1HB       ASN  54 -11.050   7.709  -9.874
  387   2HB   ASN  54          2HB       ASN  54 -11.265   6.017  -9.516
  388   1HD2  ASN  54          1HD2      ASN  54  -9.443   7.541  -6.283
  389   2HD2  ASN  54          2HD2      ASN  54  -8.554   7.298  -7.852
  390    H    ASP  55           H        ASP  55  -7.377   5.688 -11.572
  391    HA   ASP  55           HA       ASP  55  -9.014   4.079 -13.535
  392   1HB   ASP  55          1HB       ASP  55  -6.725   5.257 -13.998
  393   2HB   ASP  55          2HB       ASP  55  -5.967   3.942 -13.111
  394    H    GLY  56           H        GLY  56  -6.781   3.290 -10.852
  395   1HA   GLY  56          1HA       GLY  56  -8.286   1.545  -9.336
  396   2HA   GLY  56          2HA       GLY  56  -7.791   0.434 -10.623
  397    H    ARG  57           H        ARG  57  -5.111   1.960 -10.701
  398    HA   ARG  57           HA       ARG  57  -3.826  -0.018  -8.744
  399   1HB   ARG  57          1HB       ARG  57  -2.243   0.789 -11.144
  400   2HB   ARG  57          2HB       ARG  57  -2.528  -0.808 -10.453
  401   1HG   ARG  57          1HG       ARG  57  -4.623   0.766 -12.119
  402   2HG   ARG  57          2HG       ARG  57  -3.509  -0.407 -12.817
  403   1HD   ARG  57          1HD       ARG  57  -4.531  -2.270 -11.525
  404   2HD   ARG  57          2HD       ARG  57  -5.423  -1.139 -10.507
  405    HE   ARG  57           HE       ARG  57  -6.868  -0.398 -12.404
  406   1HH1  ARG  57          2HH1      ARG  57  -4.925  -3.149 -13.223
  407   2HH1  ARG  57          1HH1      ARG  57  -5.999  -3.537 -14.667
  408   1HH2  ARG  57          1HH2      ARG  57  -8.092  -0.942 -13.875
  409   2HH2  ARG  57          2HH2      ARG  57  -7.714  -2.321 -15.025
  410    H    ILE  58           H        ILE  58  -1.870   0.415  -7.722
  411    HA   ILE  58           HA       ILE  58  -0.975   3.316  -7.550
  412    HB   ILE  58           HB       ILE  58  -0.549   0.944  -5.667
  413   1HG1  ILE  58          1HG1      ILE  58  -2.075   3.610  -5.279
  414   2HG1  ILE  58          2HG1      ILE  58  -2.806   2.047  -5.512
  415   1HG2  ILE  58          1HG2      ILE  58   1.557   2.351  -5.623
  416   2HG2  ILE  58          2HG2      ILE  58   0.598   3.809  -5.300
  417   3HG2  ILE  58          3HG2      ILE  58   0.685   2.498  -4.101
  418   1HD1  ILE  58          1HD1      ILE  58  -1.819   1.172  -3.348
  419   2HD1  ILE  58          2HD1      ILE  58  -1.173   2.800  -3.016
  420   3HD1  ILE  58          3HD1      ILE  58  -2.928   2.549  -3.136
  421    H    ASP  59           H        ASP  59   1.078   3.998  -7.921
  422    HA   ASP  59           HA       ASP  59   3.086   2.048  -9.154
  423   1HB   ASP  59          1HB       ASP  59   3.994   3.996 -10.386
  424   2HB   ASP  59          2HB       ASP  59   2.263   3.853 -10.653
  425    H    PHE  60           H        PHE  60   5.437   3.247  -8.976
  426    HA   PHE  60           HA       PHE  60   6.297   2.454  -6.284
  427   1HB   PHE  60          1HB       PHE  60   7.612   2.210  -8.477
  428   2HB   PHE  60          2HB       PHE  60   7.964   3.905  -8.429
  429    HD1  PHE  60           HD1      PHE  60   8.238   3.574  -5.087
  430    HD2  PHE  60           HD2      PHE  60  10.115   1.853  -8.546
  431    HE1  PHE  60           HE1      PHE  60  10.302   3.191  -3.788
  432    HE2  PHE  60           HE2      PHE  60  12.167   1.483  -7.251
  433    HZ   PHE  60           HZ       PHE  60  12.281   2.173  -4.876
  434    H    ASP  61           H        ASP  61   6.075   5.691  -7.757
  435    HA   ASP  61           HA       ASP  61   6.901   7.439  -5.588
  436   1HB   ASP  61          1HB       ASP  61   4.370   7.998  -7.339
  437   2HB   ASP  61          2HB       ASP  61   5.712   9.017  -6.872
  438    H    GLU  62           H        GLU  62   3.530   6.694  -6.280
  439    HA   GLU  62           HA       GLU  62   2.270   7.417  -3.770
  440   1HB   GLU  62          1HB       GLU  62   1.329   5.103  -5.513
  441   2HB   GLU  62          2HB       GLU  62   0.372   6.040  -4.407
  442   1HG   GLU  62          1HG       GLU  62   1.155   8.101  -6.090
  443   2HG   GLU  62          2HG       GLU  62   1.302   6.770  -7.223
  444    H    PHE  63           H        PHE  63   4.255   4.535  -4.315
  445    HA   PHE  63           HA       PHE  63   3.464   3.000  -1.869
  446   1HB   PHE  63          1HB       PHE  63   4.797   2.113  -3.884
  447   2HB   PHE  63          2HB       PHE  63   6.159   3.041  -3.354
  448    HD1  PHE  63           HD1      PHE  63   4.108   0.037  -2.401
  449    HD2  PHE  63           HD2      PHE  63   7.676   2.325  -1.658
  450    HE1  PHE  63           HE1      PHE  63   5.008  -1.782  -1.011
  451    HE2  PHE  63           HE2      PHE  63   8.531   0.529  -0.251
  452    HZ   PHE  63           HZ       PHE  63   7.180  -1.505   0.145
  453    H    LEU  64           H        LEU  64   6.290   5.109  -2.512
  454    HA   LEU  64           HA       LEU  64   7.250   5.516   0.173
  455   1HB   LEU  64          1HB       LEU  64   7.257   7.411  -2.230
  456   2HB   LEU  64          2HB       LEU  64   8.055   7.828  -0.731
  457    HG   LEU  64           HG       LEU  64   8.772   5.226  -2.188
  458   1HD1  LEU  64          1HD1      LEU  64   9.871   8.057  -2.796
  459   2HD1  LEU  64          2HD1      LEU  64  10.621   6.533  -3.343
  460   3HD1  LEU  64          3HD1      LEU  64   8.997   6.954  -3.894
  461   1HD2  LEU  64          1HD2      LEU  64  10.363   7.072  -0.258
  462   2HD2  LEU  64          2HD2      LEU  64   9.757   5.426   0.088
  463   3HD2  LEU  64          3HD2      LEU  64  11.042   5.660  -1.105
  464    H    LYS  65           H        LYS  65   4.645   7.350  -1.433
  465    HA   LYS  65           HA       LYS  65   3.955   9.030   0.906
  466   1HB   LYS  65          1HB       LYS  65   2.675   8.222  -1.755
  467   2HB   LYS  65          2HB       LYS  65   1.825   9.314  -0.678
  468   1HG   LYS  65          1HG       LYS  65   3.687  11.006  -0.956
  469   2HG   LYS  65          2HG       LYS  65   4.641   9.824  -1.870
  470   1HD   LYS  65          1HD       LYS  65   3.261   9.855  -3.753
  471   2HD   LYS  65          2HD       LYS  65   1.800  10.318  -2.875
  472   1HE   LYS  65          1HE       LYS  65   2.339  12.660  -3.067
  473   2HE   LYS  65          2HE       LYS  65   4.084  12.350  -3.098
  474   1HZ   LYS  65          1HZ       LYS  65   2.352  11.332  -5.363
  475   2HZ   LYS  65          2HZ       LYS  65   2.878  12.850  -5.423
  476   3HZ   LYS  65          3HZ       LYS  65   3.958  11.604  -5.429
  477    H    MET  66           H        MET  66   1.975   6.357  -0.498
  478    HA   MET  66           HA       MET  66   0.289   5.609   1.531
  479   1HB   MET  66          1HB       MET  66   0.248   4.299  -0.456
  480   2HB   MET  66          2HB       MET  66   1.944   3.878  -0.351
  481   1HG   MET  66          1HG       MET  66   1.034   2.633   1.972
  482   2HG   MET  66          2HG       MET  66  -0.387   2.471   0.922
  483   1HE   MET  66          1HE       MET  66   0.805   2.504  -1.982
  484   2HE   MET  66          2HE       MET  66   1.000   0.751  -2.280
  485   3HE   MET  66          3HE       MET  66  -0.444   1.354  -1.410
  486    H    MET  67           H        MET  67   3.770   5.156   1.832
  487    HA   MET  67           HA       MET  67   3.560   3.737   4.492
  488   1HB   MET  67          1HB       MET  67   5.426   3.131   2.986
  489   2HB   MET  67          2HB       MET  67   5.948   4.799   2.869
  490   1HG   MET  67          1HG       MET  67   6.613   4.846   5.288
  491   2HG   MET  67          2HG       MET  67   6.064   3.171   5.493
  492   1HE   MET  67          1HE       MET  67   6.502   1.568   3.491
  493   2HE   MET  67          2HE       MET  67   8.104   1.347   2.723
  494   3HE   MET  67          3HE       MET  67   7.869   0.901   4.440
  495    H    GLU  68           H        GLU  68   5.282   6.763   3.576
  496    HA   GLU  68           HA       GLU  68   5.523   7.494   6.463
  497   1HB   GLU  68          1HB       GLU  68   7.272   8.826   5.921
  498   2HB   GLU  68          2HB       GLU  68   7.346   7.665   4.630
  499   1HG   GLU  68          1HG       GLU  68   6.171   9.408   3.085
  500   2HG   GLU  68          2HG       GLU  68   6.290  10.573   4.392
  501    H    GLY  69           H        GLY  69   3.112   8.236   4.201
  502   1HA   GLY  69          1HA       GLY  69   2.791  11.177   4.341
  503   2HA   GLY  69          2HA       GLY  69   1.530  10.032   3.867
  504    H    VAL  70           H        VAL  70   0.206   9.060   5.554
  505    HA   VAL  70           HA       VAL  70  -0.204  11.001   7.899
  506    HB   VAL  70           HB       VAL  70  -1.831  11.248   5.805
  507   1HG1  VAL  70          1HG1      VAL  70  -3.201   8.927   7.344
  508   2HG1  VAL  70          2HG1      VAL  70  -3.991   9.942   6.110
  509   3HG1  VAL  70          3HG1      VAL  70  -2.652   8.888   5.651
  510   1HG2  VAL  70          1HG2      VAL  70  -2.085  12.543   7.962
  511   2HG2  VAL  70          2HG2      VAL  70  -3.651  12.076   7.318
  512   3HG2  VAL  70          3HG2      VAL  70  -2.957  11.185   8.705
  513    H    GLN  71           H        GLN  71   0.420   9.727   9.586
  514    HA   GLN  71           HA       GLN  71  -0.645   6.960   9.947
  515   1HB   GLN  71          1HB       GLN  71   1.643   8.202  10.727
  516   2HB   GLN  71          2HB       GLN  71   0.720   8.428  12.211
  517   1HG   GLN  71          1HG       GLN  71   0.864   5.649  10.889
  518   2HG   GLN  71          2HG       GLN  71   2.229   6.202  11.840
  519   1HE2  GLN  71          1HE2      GLN  71   0.687   5.074  14.785
  520   2HE2  GLN  71          2HE2      GLN  71   2.208   5.450  13.805
  521   1HN   NH2  72          1HN       NH2  72  -2.921   6.908  10.157
  522   2HN   NH2  72          2HN       NH2  72  -3.786   7.650  11.530
   
  No H/Q in entry =         522
  Start of MODEL   22
    1   1H    ACE   1          1HH3      ACE   1  24.077   6.907   0.435
    2   2H    ACE   1          2HH3      ACE   1  24.520   7.534  -1.193
    3   3H    ACE   1          3HH3      ACE   1  24.295   8.653   0.181
    4    H    LYS   2           H        LYS   2  22.401   6.025  -1.332
    5    HA   LYS   2           HA       LYS   2  20.308   8.033  -2.116
    6   1HB   LYS   2          1HB       LYS   2  20.265   5.110  -2.961
    7   2HB   LYS   2          2HB       LYS   2  19.613   6.479  -3.836
    8   1HG   LYS   2          1HG       LYS   2  22.625   6.622  -3.420
    9   2HG   LYS   2          2HG       LYS   2  22.132   5.155  -4.226
   10   1HD   LYS   2          1HD       LYS   2  22.671   6.854  -5.925
   11   2HD   LYS   2          2HD       LYS   2  20.942   6.516  -6.025
   12   1HE   LYS   2          1HE       LYS   2  20.283   8.581  -5.156
   13   2HE   LYS   2          2HE       LYS   2  21.707   8.786  -4.120
   14   1HZ   LYS   2          1HZ       LYS   2  22.462   8.756  -6.984
   15   2HZ   LYS   2          2HZ       LYS   2  21.511  10.061  -6.587
   16   3HZ   LYS   2          3HZ       LYS   2  22.912   9.734  -5.847
   17    H    SER   3           H        SER   3  18.241   8.105  -1.433
   18    HA   SER   3           HA       SER   3  17.277   6.192   0.712
   19   1HB   SER   3          1HB       SER   3  17.399   8.884   0.627
   20   2HB   SER   3          2HB       SER   3  15.799   8.742  -0.059
   21    HG   SER   3           HG       SER   3  16.594   7.358   2.321
   22    H    GLU   4           H        GLU   4  17.077   4.687  -1.497
   23    HA   GLU   4           HA       GLU   4  14.275   4.680  -2.462
   24   1HB   GLU   4          1HB       GLU   4  14.237   5.629  -4.436
   25   2HB   GLU   4          2HB       GLU   4  15.599   6.508  -3.786
   26   1HG   GLU   4          1HG       GLU   4  17.145   4.812  -5.096
   27   2HG   GLU   4          2HG       GLU   4  15.684   4.244  -5.895
   28    H    GLU   5           H        GLU   5  17.528   3.371  -2.933
   29    HA   GLU   5           HA       GLU   5  16.854   0.883  -4.118
   30   1HB   GLU   5          1HB       GLU   5  19.098   1.486  -4.120
   31   2HB   GLU   5          2HB       GLU   5  19.182   1.760  -2.407
   32   1HG   GLU   5          1HG       GLU   5  19.711  -0.488  -1.926
   33   2HG   GLU   5          2HG       GLU   5  18.667  -1.139  -3.176
   34    H    GLU   6           H        GLU   6  16.251   1.732  -0.826
   35    HA   GLU   6           HA       GLU   6  15.823  -1.071   0.097
   36   1HB   GLU   6          1HB       GLU   6  16.777   1.065   1.364
   37   2HB   GLU   6          2HB       GLU   6  15.115   1.325   1.802
   38   1HG   GLU   6          1HG       GLU   6  16.859  -1.118   2.553
   39   2HG   GLU   6          2HG       GLU   6  16.236   0.108   3.642
   40    H    LEU   7           H        LEU   7  13.569   1.706  -0.237
   41    HA   LEU   7           HA       LEU   7  11.083   0.049  -0.254
   42   1HB   LEU   7          1HB       LEU   7  11.705   2.865  -1.287
   43   2HB   LEU   7          2HB       LEU   7  10.126   2.142  -1.468
   44    HG   LEU   7           HG       LEU   7  10.921   1.937   1.352
   45   1HD1  LEU   7          1HD1      LEU   7  12.417   3.866   0.872
   46   2HD1  LEU   7          2HD1      LEU   7  11.071   4.785   0.149
   47   3HD1  LEU   7          3HD1      LEU   7  11.059   4.379   1.885
   48   1HD2  LEU   7          1HD2      LEU   7   8.679   3.556  -0.072
   49   2HD2  LEU   7          2HD2      LEU   7   8.533   1.924   0.638
   50   3HD2  LEU   7          3HD2      LEU   7   8.810   3.314   1.690
   51    H    ALA   8           H        ALA   8  13.452   0.863  -2.768
   52    HA   ALA   8           HA       ALA   8  12.210  -0.341  -5.038
   53   1HB   ALA   8          1HB       ALA   8  15.183  -0.374  -4.180
   54   2HB   ALA   8          2HB       ALA   8  14.589  -0.710  -5.818
   55   3HB   ALA   8          3HB       ALA   8  14.352   0.894  -5.112
   56    H    ASN   9           H        ASN   9  14.771  -2.330  -3.478
   57    HA   ASN   9           HA       ASN   9  13.914  -4.948  -3.639
   58   1HB   ASN   9          1HB       ASN   9  14.643  -3.730  -0.887
   59   2HB   ASN   9          2HB       ASN   9  14.870  -5.382  -1.391
   60   1HD2  ASN   9          1HD2      ASN   9  17.513  -3.768  -3.743
   61   2HD2  ASN   9          2HD2      ASN   9  15.814  -4.289  -4.140
   62    H    ALA  10           H        ALA  10  12.444  -2.797  -1.176
   63    HA   ALA  10           HA       ALA  10  10.468  -4.713  -0.141
   64   1HB   ALA  10          1HB       ALA  10  11.335  -2.710   1.083
   65   2HB   ALA  10          2HB       ALA  10  10.486  -1.617  -0.040
   66   3HB   ALA  10          3HB       ALA  10   9.562  -2.698   1.026
   67    H    PHE  11           H        PHE  11   9.951  -2.012  -2.471
   68    HA   PHE  11           HA       PHE  11   7.207  -2.643  -3.179
   69   1HB   PHE  11          1HB       PHE  11   8.332  -0.470  -3.617
   70   2HB   PHE  11          2HB       PHE  11   9.386  -1.200  -4.780
   71    HD1  PHE  11           HD1      PHE  11   5.885  -0.005  -4.279
   72    HD2  PHE  11           HD2      PHE  11   8.657  -1.734  -7.078
   73    HE1  PHE  11           HE1      PHE  11   4.411   0.627  -6.148
   74    HE2  PHE  11           HE2      PHE  11   7.144  -1.145  -8.926
   75    HZ   PHE  11           HZ       PHE  11   5.046   0.065  -8.474
   76    H    ARG  12           H        ARG  12  10.195  -3.754  -4.826
   77    HA   ARG  12           HA       ARG  12   8.899  -5.543  -6.688
   78   1HB   ARG  12          1HB       ARG  12  11.165  -5.003  -7.121
   79   2HB   ARG  12          2HB       ARG  12  11.716  -5.455  -5.512
   80   1HG   ARG  12          1HG       ARG  12  11.419  -7.874  -6.014
   81   2HG   ARG  12          2HG       ARG  12  10.612  -7.521  -7.547
   82   1HD   ARG  12          1HD       ARG  12  13.083  -6.123  -7.793
   83   2HD   ARG  12          2HD       ARG  12  13.533  -7.616  -6.924
   84    HE   ARG  12           HE       ARG  12  12.187  -7.522  -9.671
   85   1HH1  ARG  12          2HH1      ARG  12  13.596  -9.464  -7.170
   86   2HH1  ARG  12          1HH1      ARG  12  13.682 -10.938  -8.250
   87   1HH2  ARG  12          1HH2      ARG  12  12.314  -9.171 -10.868
   88   2HH2  ARG  12          2HH2      ARG  12  12.980 -10.757 -10.261
   89    H    ILE  13           H        ILE  13   9.814  -6.164  -3.321
   90    HA   ILE  13           HA       ILE  13   9.541  -9.126  -3.533
   91    HB   ILE  13           HB       ILE  13  10.205  -7.252  -1.216
   92   1HG1  ILE  13          1HG1      ILE  13  12.095  -7.713  -2.809
   93   2HG1  ILE  13          2HG1      ILE  13  12.421  -8.296  -1.199
   94   1HG2  ILE  13          1HG2      ILE  13   8.895  -9.149  -0.183
   95   2HG2  ILE  13          2HG2      ILE  13   9.937 -10.342  -0.994
   96   3HG2  ILE  13          3HG2      ILE  13  10.584  -9.280   0.272
   97   1HD1  ILE  13          1HD1      ILE  13  11.878 -10.669  -1.840
   98   2HD1  ILE  13          2HD1      ILE  13  11.598 -10.145  -3.519
   99   3HD1  ILE  13          3HD1      ILE  13  13.210  -9.979  -2.796
  100    H    PHE  14           H        PHE  14   7.529  -6.510  -2.354
  101    HA   PHE  14           HA       PHE  14   5.269  -8.029  -1.160
  102   1HB   PHE  14          1HB       PHE  14   5.545  -5.278  -2.503
  103   2HB   PHE  14          2HB       PHE  14   3.968  -5.906  -2.157
  104    HD1  PHE  14           HD1      PHE  14   6.019  -7.187   0.427
  105    HD2  PHE  14           HD2      PHE  14   4.169  -3.527  -0.851
  106    HE1  PHE  14           HE1      PHE  14   6.185  -6.298   2.718
  107    HE2  PHE  14           HE2      PHE  14   4.358  -2.635   1.437
  108    HZ   PHE  14           HZ       PHE  14   5.389  -4.001   3.219
  109    H    ASP  15           H        ASP  15   6.110  -7.102  -4.495
  110    HA   ASP  15           HA       ASP  15   3.653  -7.886  -5.771
  111   1HB   ASP  15          1HB       ASP  15   5.312  -6.337  -6.755
  112   2HB   ASP  15          2HB       ASP  15   6.501  -7.619  -6.927
  113    H    LYS  16           H        LYS  16   3.110  -9.579  -7.201
  114    HA   LYS  16           HA       LYS  16   4.611 -12.209  -6.855
  115   1HB   LYS  16          1HB       LYS  16   1.779 -12.152  -8.003
  116   2HB   LYS  16          2HB       LYS  16   2.657 -13.518  -7.375
  117   1HG   LYS  16          1HG       LYS  16   2.447 -12.157  -5.023
  118   2HG   LYS  16          2HG       LYS  16   1.203 -11.257  -5.882
  119   1HD   LYS  16          1HD       LYS  16   0.752 -14.137  -6.309
  120   2HD   LYS  16          2HD       LYS  16   1.003 -13.829  -4.592
  121   1HE   LYS  16          1HE       LYS  16  -1.014 -12.875  -4.243
  122   2HE   LYS  16          2HE       LYS  16  -0.911 -11.831  -5.675
  123   1HZ   LYS  16          1HZ       LYS  16  -1.145 -14.635  -6.514
  124   2HZ   LYS  16          2HZ       LYS  16  -2.399 -14.238  -5.514
  125   3HZ   LYS  16          3HZ       LYS  16  -2.129 -13.365  -6.861
  126    H    ASN  17           H        ASN  17   2.537 -10.591  -9.296
  127    HA   ASN  17           HA       ASN  17   3.625 -12.261 -11.423
  128   1HB   ASN  17          1HB       ASN  17   1.976 -11.189 -12.897
  129   2HB   ASN  17          2HB       ASN  17   1.267 -11.652 -11.373
  130   1HD2  ASN  17          1HD2      ASN  17   0.546  -8.025 -12.639
  131   2HD2  ASN  17          2HD2      ASN  17   1.459  -9.192 -13.650
  132    H    ALA  18           H        ALA  18   3.881  -8.684 -11.045
  133    HA   ALA  18           HA       ALA  18   5.977  -7.471 -11.045
  134   1HB   ALA  18          1HB       ALA  18   6.971  -9.713 -10.452
  135   2HB   ALA  18          2HB       ALA  18   7.094 -10.109 -12.181
  136   3HB   ALA  18          3HB       ALA  18   8.055  -8.776 -11.518
  137    H    ASP  19           H        ASP  19   4.253  -6.882 -13.100
  138    HA   ASP  19           HA       ASP  19   6.255  -5.981 -15.236
  139   1HB   ASP  19          1HB       ASP  19   3.961  -6.881 -15.962
  140   2HB   ASP  19          2HB       ASP  19   3.207  -5.490 -15.195
  141    H    GLY  20           H        GLY  20   6.129  -5.201 -12.329
  142   1HA   GLY  20          1HA       GLY  20   7.237  -3.255 -11.337
  143   2HA   GLY  20          2HA       GLY  20   6.933  -2.360 -12.831
  144    H    TYR  21           H        TYR  21   4.091  -3.735 -11.500
  145    HA   TYR  21           HA       TYR  21   3.214  -1.016 -10.344
  146   1HB   TYR  21          1HB       TYR  21   1.433  -2.939 -11.975
  147   2HB   TYR  21          2HB       TYR  21   0.878  -1.514 -11.147
  148    HD1  TYR  21           HD1      TYR  21   1.309   0.754 -12.027
  149    HD2  TYR  21           HD2      TYR  21   2.700  -2.716 -14.154
  150    HE1  TYR  21           HE1      TYR  21   1.706   2.130 -14.032
  151    HE2  TYR  21           HE2      TYR  21   3.097  -1.309 -16.148
  152    HH   TYR  21           HH       TYR  21   3.511   1.159 -16.646
  153    H    ILE  22           H        ILE  22   1.965  -1.104  -8.436
  154    HA   ILE  22           HA       ILE  22   1.037  -3.825  -7.406
  155    HB   ILE  22           HB       ILE  22   0.853  -1.153  -5.921
  156   1HG1  ILE  22          1HG1      ILE  22   3.293  -2.723  -6.407
  157   2HG1  ILE  22          2HG1      ILE  22   3.108  -1.186  -5.607
  158   1HG2  ILE  22          1HG2      ILE  22  -0.666  -2.965  -5.006
  159   2HG2  ILE  22          2HG2      ILE  22   0.716  -4.066  -4.841
  160   3HG2  ILE  22          3HG2      ILE  22   0.600  -2.590  -3.848
  161   1HD1  ILE  22          1HD1      ILE  22   2.498  -2.337  -3.418
  162   2HD1  ILE  22          2HD1      ILE  22   2.885  -3.899  -4.183
  163   3HD1  ILE  22          3HD1      ILE  22   4.149  -2.665  -4.001
  164    H    ASP  23           H        ASP  23  -1.134  -4.257  -6.913
  165    HA   ASP  23           HA       ASP  23  -3.135  -2.660  -8.589
  166   1HB   ASP  23          1HB       ASP  23  -4.064  -4.903  -9.420
  167   2HB   ASP  23          2HB       ASP  23  -2.479  -4.466 -10.043
  168    H    ILE  24           H        ILE  24  -5.445  -3.612  -8.190
  169    HA   ILE  24           HA       ILE  24  -6.025  -2.875  -5.326
  170    HB   ILE  24           HB       ILE  24  -7.361  -2.161  -7.500
  171   1HG1  ILE  24          1HG1      ILE  24  -9.104  -2.887  -5.062
  172   2HG1  ILE  24          2HG1      ILE  24  -7.907  -1.624  -4.969
  173   1HG2  ILE  24          1HG2      ILE  24  -8.037  -4.484  -8.268
  174   2HG2  ILE  24          2HG2      ILE  24  -8.921  -4.742  -6.750
  175   3HG2  ILE  24          3HG2      ILE  24  -9.460  -3.515  -7.925
  176   1HD1  ILE  24          1HD1      ILE  24  -8.995  -0.379  -6.906
  177   2HD1  ILE  24          2HD1      ILE  24 -10.331  -1.555  -6.856
  178   3HD1  ILE  24          3HD1      ILE  24 -10.011  -0.522  -5.447
  179    H    GLU  25           H        GLU  25  -5.979  -5.781  -7.269
  180    HA   GLU  25           HA       GLU  25  -7.243  -7.581  -5.229
  181   1HB   GLU  25          1HB       GLU  25  -6.265  -7.852  -7.988
  182   2HB   GLU  25          2HB       GLU  25  -5.763  -9.203  -7.018
  183   1HG   GLU  25          1HG       GLU  25  -8.079  -9.308  -8.349
  184   2HG   GLU  25          2HG       GLU  25  -7.989 -10.033  -6.754
  185    H    GLU  26           H        GLU  26  -3.972  -6.570  -5.995
  186    HA   GLU  26           HA       GLU  26  -2.666  -8.299  -3.918
  187   1HB   GLU  26          1HB       GLU  26  -1.596  -6.043  -5.661
  188   2HB   GLU  26          2HB       GLU  26  -0.629  -6.771  -4.415
  189   1HG   GLU  26          1HG       GLU  26  -1.213  -9.093  -5.725
  190   2HG   GLU  26          2HG       GLU  26  -1.569  -8.015  -7.062
  191    H    LEU  27           H        LEU  27  -4.280  -5.277  -3.872
  192    HA   LEU  27           HA       LEU  27  -2.775  -3.855  -1.830
  193   1HB   LEU  27          1HB       LEU  27  -4.280  -2.783  -3.470
  194   2HB   LEU  27          2HB       LEU  27  -5.688  -3.510  -2.740
  195    HG   LEU  27           HG       LEU  27  -4.831  -0.942  -2.220
  196   1HD1  LEU  27          1HD1      LEU  27  -7.077  -1.903  -1.705
  197   2HD1  LEU  27          2HD1      LEU  27  -6.430  -2.732  -0.260
  198   3HD1  LEU  27          3HD1      LEU  27  -6.463  -0.947  -0.358
  199   1HD2  LEU  27          1HD2      LEU  27  -3.822  -2.607   0.206
  200   2HD2  LEU  27          2HD2      LEU  27  -2.802  -1.651  -0.911
  201   3HD2  LEU  27          3HD2      LEU  27  -3.971  -0.829   0.128
  202    H    GLY  28           H        GLY  28  -6.106  -4.983  -1.249
  203   1HA   GLY  28          1HA       GLY  28  -6.210  -5.239   1.647
  204   2HA   GLY  28          2HA       GLY  28  -7.065  -6.305   0.525
  205    H    GLU  29           H        GLU  29  -4.516  -7.270  -0.679
  206    HA   GLU  29           HA       GLU  29  -4.235  -9.613   1.087
  207   1HB   GLU  29          1HB       GLU  29  -3.955  -9.089  -1.670
  208   2HB   GLU  29          2HB       GLU  29  -2.365  -9.604  -1.193
  209   1HG   GLU  29          1HG       GLU  29  -3.714 -11.689  -0.051
  210   2HG   GLU  29          2HG       GLU  29  -4.973 -11.224  -1.179
  211    H    ILE  30           H        ILE  30  -1.844  -7.166   0.114
  212    HA   ILE  30           HA       ILE  30   0.333  -7.913   2.010
  213    HB   ILE  30           HB       ILE  30  -0.414  -5.231   0.738
  214   1HG1  ILE  30          1HG1      ILE  30   0.676  -6.211  -1.052
  215   2HG1  ILE  30          2HG1      ILE  30   2.096  -5.666  -0.203
  216   1HG2  ILE  30          1HG2      ILE  30   0.687  -4.750   2.955
  217   2HG2  ILE  30          2HG2      ILE  30   2.058  -5.805   2.524
  218   3HG2  ILE  30          3HG2      ILE  30   1.750  -4.292   1.628
  219   1HD1  ILE  30          1HD1      ILE  30   1.084  -8.580   0.000
  220   2HD1  ILE  30          2HD1      ILE  30   2.449  -7.974  -0.961
  221   3HD1  ILE  30          3HD1      ILE  30   2.516  -7.894   0.810
  222    H    LEU  31           H        LEU  31  -2.349  -5.549   2.262
  223    HA   LEU  31           HA       LEU  31  -1.791  -5.012   5.166
  224   1HB   LEU  31          1HB       LEU  31  -4.282  -3.946   3.843
  225   2HB   LEU  31          2HB       LEU  31  -3.217  -3.169   4.990
  226    HG   LEU  31           HG       LEU  31  -2.365  -3.658   2.077
  227   1HD1  LEU  31          1HD1      LEU  31  -3.822  -1.201   3.264
  228   2HD1  LEU  31          2HD1      LEU  31  -3.048  -1.266   1.658
  229   3HD1  LEU  31          3HD1      LEU  31  -4.420  -2.322   2.009
  230   1HD2  LEU  31          1HD2      LEU  31  -1.330  -1.706   4.257
  231   2HD2  LEU  31          2HD2      LEU  31  -0.447  -3.091   3.555
  232   3HD2  LEU  31          3HD2      LEU  31  -0.819  -1.688   2.548
  233    H    ARG  32           H        ARG  32  -3.577  -7.473   3.666
  234    HA   ARG  32           HA       ARG  32  -4.327  -8.377   6.497
  235   1HB   ARG  32          1HB       ARG  32  -6.113  -7.072   4.955
  236   2HB   ARG  32          2HB       ARG  32  -6.334  -8.652   4.205
  237   1HG   ARG  32          1HG       ARG  32  -8.011  -8.333   5.989
  238   2HG   ARG  32          2HG       ARG  32  -6.892  -9.614   6.489
  239   1HD   ARG  32          1HD       ARG  32  -5.869  -8.301   8.179
  240   2HD   ARG  32          2HD       ARG  32  -6.152  -6.769   7.323
  241    HE   ARG  32           HE       ARG  32  -8.104  -8.147   9.149
  242   1HH1  ARG  32          2HH1      ARG  32  -7.868  -5.824   6.576
  243   2HH1  ARG  32          1HH1      ARG  32  -9.459  -5.048   7.030
  244   1HH2  ARG  32          1HH2      ARG  32  -9.900  -7.260   9.618
  245   2HH2  ARG  32          2HH2      ARG  32 -10.530  -5.830   8.679
  246    H    ALA  33           H        ALA  33  -2.164  -9.178   4.639
  247    HA   ALA  33           HA       ALA  33  -2.097 -11.583   3.412
  248   1HB   ALA  33          1HB       ALA  33  -0.071 -10.401   4.248
  249   2HB   ALA  33          2HB       ALA  33  -0.381 -10.973   5.910
  250   3HB   ALA  33          3HB       ALA  33   0.025 -12.130   4.624
  251    H    THR  34           H        THR  34  -1.692 -12.080   6.901
  252    HA   THR  34           HA       THR  34  -2.804 -14.860   6.583
  253    HB   THR  34           HB       THR  34  -1.695 -15.287   8.829
  254    HG1  THR  34           HG1      THR  34  -1.679 -12.846   9.226
  255   1HG2  THR  34          2HG2      THR  34  -0.512 -15.627   6.560
  256   2HG2  THR  34          3HG2      THR  34   0.183 -13.993   6.726
  257   3HG2  THR  34          1HG2      THR  34   0.616 -15.256   7.891
  258    H    GLY  35           H        GLY  35  -4.380 -15.813   8.100
  259   1HA   GLY  35          1HA       GLY  35  -4.937 -14.601  10.755
  260   2HA   GLY  35          2HA       GLY  35  -6.268 -14.244   9.648
  261   1HN   NH2  36          1HN       NH2  36  -7.690 -15.957   8.879
  262   2HN   NH2  36          2HN       NH2  36  -7.786 -17.499   9.770
  263   1H    ACE  37          1HH3      ACE  37 -14.420  -1.529  13.784
  264   2H    ACE  37          2HH3      ACE  37 -14.161  -3.028  14.740
  265   3H    ACE  37          3HH3      ACE  37 -12.970  -1.703  14.808
  266    H    VAL  38           H        VAL  38 -14.490  -3.934  12.487
  267    HA   VAL  38           HA       VAL  38 -11.878  -4.247  10.913
  268    HB   VAL  38           HB       VAL  38 -11.980  -6.762  11.404
  269   1HG1  VAL  38          1HG1      VAL  38 -11.235  -4.833  13.722
  270   2HG1  VAL  38          2HG1      VAL  38 -10.733  -6.537  13.641
  271   3HG1  VAL  38          3HG1      VAL  38 -10.164  -5.390  12.423
  272   1HG2  VAL  38          1HG2      VAL  38 -14.249  -6.909  12.520
  273   2HG2  VAL  38          2HG2      VAL  38 -12.971  -7.473  13.618
  274   3HG2  VAL  38          3HG2      VAL  38 -13.679  -5.852  13.831
  275    H    THR  39           H        THR  39 -12.647  -4.004   8.846
  276    HA   THR  39           HA       THR  39 -15.121  -5.383   7.885
  277    HB   THR  39           HB       THR  39 -16.047  -2.976   7.083
  278    HG1  THR  39           HG1      THR  39 -14.562  -2.501   9.419
  279   1HG2  THR  39          2HG2      THR  39 -16.557  -4.204   9.884
  280   2HG2  THR  39          3HG2      THR  39 -17.641  -3.069   9.043
  281   3HG2  THR  39          1HG2      THR  39 -17.358  -4.688   8.371
  282    H    GLU  40           H        GLU  40 -15.436  -5.075   5.589
  283    HA   GLU  40           HA       GLU  40 -12.948  -4.796   3.944
  284   1HB   GLU  40          1HB       GLU  40 -14.199  -6.389   2.967
  285   2HB   GLU  40          2HB       GLU  40 -15.725  -5.737   3.481
  286   1HG   GLU  40          1HG       GLU  40 -16.006  -4.426   1.508
  287   2HG   GLU  40          2HG       GLU  40 -14.285  -4.209   1.249
  288    H    GLU  41           H        GLU  41 -15.837  -2.779   4.440
  289    HA   GLU  41           HA       GLU  41 -15.260  -0.702   2.590
  290   1HB   GLU  41          1HB       GLU  41 -17.141  -1.142   4.720
  291   2HB   GLU  41          2HB       GLU  41 -16.576   0.493   4.885
  292   1HG   GLU  41          1HG       GLU  41 -18.431   0.842   3.473
  293   2HG   GLU  41          2HG       GLU  41 -17.190   0.690   2.242
  294    H    ASP  42           H        ASP  42 -13.562  -1.204   5.555
  295    HA   ASP  42           HA       ASP  42 -12.280   1.440   5.706
  296   1HB   ASP  42          1HB       ASP  42 -11.836  -1.283   7.011
  297   2HB   ASP  42          2HB       ASP  42 -10.591  -0.057   7.201
  298    H    ILE  43           H        ILE  43 -11.016  -1.638   4.390
  299    HA   ILE  43           HA       ILE  43  -8.648  -0.546   3.023
  300    HB   ILE  43           HB       ILE  43 -10.357  -3.003   2.468
  301   1HG1  ILE  43          1HG1      ILE  43  -7.364  -3.262   2.787
  302   2HG1  ILE  43          2HG1      ILE  43  -8.177  -2.640   4.197
  303   1HG2  ILE  43          1HG2      ILE  43  -9.650  -2.226   0.171
  304   2HG2  ILE  43          2HG2      ILE  43  -7.960  -2.111   0.701
  305   3HG2  ILE  43          3HG2      ILE  43  -8.776  -3.690   0.596
  306   1HD1  ILE  43          1HD1      ILE  43  -9.749  -4.623   4.263
  307   2HD1  ILE  43          2HD1      ILE  43  -8.841  -5.361   2.917
  308   3HD1  ILE  43          3HD1      ILE  43  -8.034  -5.047   4.469
  309    H    GLU  44           H        GLU  44 -12.058  -0.634   2.056
  310    HA   GLU  44           HA       GLU  44 -11.553   0.448  -0.697
  311   1HB   GLU  44          1HB       GLU  44 -13.443  -0.569  -1.150
  312   2HB   GLU  44          2HB       GLU  44 -13.651  -1.010   0.517
  313   1HG   GLU  44          1HG       GLU  44 -15.528   0.316   0.689
  314   2HG   GLU  44          2HG       GLU  44 -14.649   1.752   0.195
  315    H    ASP  45           H        ASP  45 -12.484   1.810   2.390
  316    HA   ASP  45           HA       ASP  45 -12.829   4.631   1.408
  317   1HB   ASP  45          1HB       ASP  45 -12.679   3.283   4.152
  318   2HB   ASP  45          2HB       ASP  45 -12.504   5.029   4.041
  319    H    LEU  46           H        LEU  46 -10.144   2.684   2.639
  320    HA   LEU  46           HA       LEU  46  -8.074   4.808   2.531
  321   1HB   LEU  46          1HB       LEU  46  -7.887   2.670   3.797
  322   2HB   LEU  46          2HB       LEU  46  -7.807   1.750   2.313
  323    HG   LEU  46           HG       LEU  46  -5.641   3.502   1.947
  324   1HD1  LEU  46          1HD1      LEU  46  -6.200   4.175   4.464
  325   2HD1  LEU  46          2HD1      LEU  46  -5.361   2.670   4.867
  326   3HD1  LEU  46          3HD1      LEU  46  -4.497   3.953   3.970
  327   1HD2  LEU  46          1HD2      LEU  46  -5.788   0.661   3.105
  328   2HD2  LEU  46          2HD2      LEU  46  -5.330   1.170   1.478
  329   3HD2  LEU  46          3HD2      LEU  46  -4.215   1.471   2.842
  330    H    MET  47           H        MET  47  -8.705   2.279   0.045
  331    HA   MET  47           HA       MET  47  -7.293   3.892  -2.034
  332   1HB   MET  47          1HB       MET  47  -7.479   1.283  -1.825
  333   2HB   MET  47          2HB       MET  47  -9.063   1.450  -2.562
  334   1HG   MET  47          1HG       MET  47  -7.729   1.041  -4.471
  335   2HG   MET  47          2HG       MET  47  -7.824   2.811  -4.490
  336   1HE   MET  47          1HE       MET  47  -5.736   0.918  -5.928
  337   2HE   MET  47          2HE       MET  47  -5.681   2.695  -6.114
  338   3HE   MET  47          3HE       MET  47  -4.190   1.805  -5.692
  339    H    LYS  48           H        LYS  48 -10.428   4.281  -0.775
  340    HA   LYS  48           HA       LYS  48 -11.370   5.814  -3.181
  341   1HB   LYS  48          1HB       LYS  48 -12.297   5.259  -0.370
  342   2HB   LYS  48          2HB       LYS  48 -12.908   6.738  -1.044
  343   1HG   LYS  48          1HG       LYS  48 -14.275   4.413  -1.289
  344   2HG   LYS  48          2HG       LYS  48 -14.331   5.603  -2.551
  345   1HD   LYS  48          1HD       LYS  48 -13.114   4.409  -4.092
  346   2HD   LYS  48          2HD       LYS  48 -12.048   3.653  -2.954
  347   1HE   LYS  48          1HE       LYS  48 -13.311   1.753  -3.610
  348   2HE   LYS  48          2HE       LYS  48 -14.319   2.265  -2.267
  349   1HZ   LYS  48          1HZ       LYS  48 -15.498   3.776  -4.186
  350   2HZ   LYS  48          2HZ       LYS  48 -14.895   2.614  -5.161
  351   3HZ   LYS  48          3HZ       LYS  48 -15.921   2.182  -4.034
  352    H    ASP  49           H        ASP  49  -9.656   6.548  -0.176
  353    HA   ASP  49           HA       ASP  49  -9.590   9.541  -0.592
  354   1HB   ASP  49          1HB       ASP  49  -9.558   8.406   1.713
  355   2HB   ASP  49          2HB       ASP  49  -7.915   7.870   1.388
  356    H    SER  50           H        SER  50  -7.409   6.816  -1.236
  357    HA   SER  50           HA       SER  50  -5.040   8.539  -1.975
  358   1HB   SER  50          1HB       SER  50  -4.917   6.184  -0.867
  359   2HB   SER  50          2HB       SER  50  -5.383   5.500  -2.422
  360    HG   SER  50           HG       SER  50  -2.995   6.556  -1.578
  361    H    ASP  51           H        ASP  51  -7.665   6.852  -3.617
  362    HA   ASP  51           HA       ASP  51  -6.693   6.878  -6.320
  363   1HB   ASP  51          1HB       ASP  51  -8.693   5.605  -5.396
  364   2HB   ASP  51          2HB       ASP  51  -9.639   7.087  -5.415
  365    H    LYS  52           H        LYS  52  -7.700   8.133  -8.187
  366    HA   LYS  52           HA       LYS  52  -7.582  11.133  -7.625
  367   1HB   LYS  52          1HB       LYS  52  -6.306  10.099 -10.156
  368   2HB   LYS  52          2HB       LYS  52  -5.942  11.563  -9.296
  369   1HG   LYS  52          1HG       LYS  52  -5.013   8.668  -8.650
  370   2HG   LYS  52          2HG       LYS  52  -4.028  10.005  -9.155
  371   1HD   LYS  52          1HD       LYS  52  -5.507  10.099  -6.471
  372   2HD   LYS  52          2HD       LYS  52  -3.942   9.362  -6.576
  373   1HE   LYS  52          1HE       LYS  52  -4.699  12.347  -7.024
  374   2HE   LYS  52          2HE       LYS  52  -3.653  11.673  -5.777
  375   1HZ   LYS  52          1HZ       LYS  52  -2.168  10.859  -7.795
  376   2HZ   LYS  52          2HZ       LYS  52  -2.949  11.862  -8.740
  377   3HZ   LYS  52          3HZ       LYS  52  -2.082  12.453  -7.458
  378    H    ASN  53           H        ASN  53  -7.753  11.145 -10.839
  379    HA   ASN  53           HA       ASN  53 -10.604  10.670 -11.281
  380   1HB   ASN  53          1HB       ASN  53  -9.932  10.881 -13.772
  381   2HB   ASN  53          2HB       ASN  53  -9.488  12.217 -12.747
  382   1HD2  ASN  53          1HD2      ASN  53  -6.038  11.840 -13.470
  383   2HD2  ASN  53          2HD2      ASN  53  -7.299  12.701 -12.480
  384    H    ASN  54           H        ASN  54  -8.727   8.316 -10.386
  385    HA   ASN  54           HA       ASN  54  -9.430   6.041 -10.047
  386   1HB   ASN  54          1HB       ASN  54 -11.675   7.080 -11.884
  387   2HB   ASN  54          2HB       ASN  54 -11.551   5.366 -11.602
  388   1HD2  ASN  54          1HD2      ASN  54 -13.274   5.662  -8.556
  389   2HD2  ASN  54          2HD2      ASN  54 -12.680   4.617  -9.926
  390    H    ASP  55           H        ASP  55  -7.390   6.789 -12.014
  391    HA   ASP  55           HA       ASP  55  -7.200   4.210 -13.586
  392   1HB   ASP  55          1HB       ASP  55  -4.729   4.998 -13.833
  393   2HB   ASP  55          2HB       ASP  55  -5.971   5.982 -14.595
  394    H    GLY  56           H        GLY  56  -7.830   2.845 -11.636
  395   1HA   GLY  56          1HA       GLY  56  -6.841   3.281  -8.914
  396   2HA   GLY  56          2HA       GLY  56  -7.547   1.768  -9.498
  397    H    ARG  57           H        ARG  57  -5.476   1.311 -11.526
  398    HA   ARG  57           HA       ARG  57  -3.558  -0.263 -10.013
  399   1HB   ARG  57          1HB       ARG  57  -3.642   0.669 -12.933
  400   2HB   ARG  57          2HB       ARG  57  -2.324  -0.338 -12.334
  401   1HG   ARG  57          1HG       ARG  57  -3.702  -2.099 -12.941
  402   2HG   ARG  57          2HG       ARG  57  -4.490  -1.811 -11.392
  403   1HD   ARG  57          1HD       ARG  57  -6.406  -0.826 -12.388
  404   2HD   ARG  57          2HD       ARG  57  -5.471  -0.091 -13.689
  405    HE   ARG  57           HE       ARG  57  -6.393  -2.992 -13.707
  406   1HH1  ARG  57          2HH1      ARG  57  -4.650  -0.507 -15.379
  407   2HH1  ARG  57          1HH1      ARG  57  -4.805  -1.411 -16.976
  408   1HH2  ARG  57          1HH2      ARG  57  -6.404  -4.006 -15.418
  409   2HH2  ARG  57          2HH2      ARG  57  -5.685  -3.352 -16.971
  410    H    ILE  58           H        ILE  58  -1.722   0.110  -9.043
  411    HA   ILE  58           HA       ILE  58  -0.771   2.990  -8.892
  412    HB   ILE  58           HB       ILE  58  -0.756   0.703  -6.869
  413   1HG1  ILE  58          1HG1      ILE  58  -2.089   3.492  -6.864
  414   2HG1  ILE  58          2HG1      ILE  58  -2.896   1.956  -7.003
  415   1HG2  ILE  58          1HG2      ILE  58   1.456   1.906  -6.591
  416   2HG2  ILE  58          2HG2      ILE  58   0.612   3.461  -6.453
  417   3HG2  ILE  58          3HG2      ILE  58   0.410   2.207  -5.207
  418   1HD1  ILE  58          1HD1      ILE  58  -2.192   1.285  -4.660
  419   2HD1  ILE  58          2HD1      ILE  58  -1.476   2.903  -4.441
  420   3HD1  ILE  58          3HD1      ILE  58  -3.223   2.737  -4.720
  421    H    ASP  59           H        ASP  59   1.324   3.616  -9.137
  422    HA   ASP  59           HA       ASP  59   3.498   1.512  -9.567
  423   1HB   ASP  59          1HB       ASP  59   4.640   3.212 -10.965
  424   2HB   ASP  59          2HB       ASP  59   2.989   2.965 -11.516
  425    H    PHE  60           H        PHE  60   5.769   3.045  -9.249
  426    HA   PHE  60           HA       PHE  60   6.310   2.452  -6.404
  427   1HB   PHE  60          1HB       PHE  60   7.956   2.404  -8.415
  428   2HB   PHE  60          2HB       PHE  60   8.055   4.129  -8.302
  429    HD1  PHE  60           HD1      PHE  60   7.917   1.863  -5.310
  430    HD2  PHE  60           HD2      PHE  60  10.386   4.415  -7.728
  431    HE1  PHE  60           HE1      PHE  60   9.725   1.673  -3.662
  432    HE2  PHE  60           HE2      PHE  60  12.200   4.220  -6.065
  433    HZ   PHE  60           HZ       PHE  60  11.877   2.835  -4.036
  434    H    ASP  61           H        ASP  61   5.428   5.433  -8.041
  435    HA   ASP  61           HA       ASP  61   6.136   7.477  -6.016
  436   1HB   ASP  61          1HB       ASP  61   5.466   8.444  -8.078
  437   2HB   ASP  61          2HB       ASP  61   4.265   7.212  -8.414
  438    H    GLU  62           H        GLU  62   2.879   6.674  -6.853
  439    HA   GLU  62           HA       GLU  62   1.227   6.971  -4.575
  440   1HB   GLU  62          1HB       GLU  62   1.160   4.651  -6.552
  441   2HB   GLU  62          2HB       GLU  62  -0.103   4.967  -5.399
  442   1HG   GLU  62          1HG       GLU  62   0.627   7.267  -7.285
  443   2HG   GLU  62          2HG       GLU  62  -0.185   5.883  -7.993
  444    H    PHE  63           H        PHE  63   3.690   4.444  -4.871
  445    HA   PHE  63           HA       PHE  63   2.837   2.807  -2.490
  446   1HB   PHE  63          1HB       PHE  63   4.334   2.024  -4.432
  447   2HB   PHE  63          2HB       PHE  63   5.609   3.017  -3.811
  448    HD1  PHE  63           HD1      PHE  63   3.698  -0.105  -3.067
  449    HD2  PHE  63           HD2      PHE  63   6.842   2.498  -1.704
  450    HE1  PHE  63           HE1      PHE  63   4.558  -1.886  -1.630
  451    HE2  PHE  63           HE2      PHE  63   7.740   0.663  -0.322
  452    HZ   PHE  63           HZ       PHE  63   6.628  -1.543  -0.319
  453    H    LEU  64           H        LEU  64   5.576   5.059  -2.962
  454    HA   LEU  64           HA       LEU  64   6.405   5.454  -0.264
  455   1HB   LEU  64          1HB       LEU  64   6.424   7.391  -2.629
  456   2HB   LEU  64          2HB       LEU  64   7.116   7.853  -1.094
  457    HG   LEU  64           HG       LEU  64   8.042   5.366  -2.656
  458   1HD1  LEU  64          1HD1      LEU  64   9.164   8.252  -2.715
  459   2HD1  LEU  64          2HD1      LEU  64  10.002   6.819  -3.370
  460   3HD1  LEU  64          3HD1      LEU  64   8.455   7.318  -4.061
  461   1HD2  LEU  64          1HD2      LEU  64   9.342   6.918  -0.298
  462   2HD2  LEU  64          2HD2      LEU  64   8.724   5.241  -0.268
  463   3HD2  LEU  64          3HD2      LEU  64  10.147   5.637  -1.241
  464    H    LYS  65           H        LYS  65   3.721   7.201  -1.832
  465    HA   LYS  65           HA       LYS  65   2.974   8.744   0.614
  466   1HB   LYS  65          1HB       LYS  65   2.110   8.288  -2.237
  467   2HB   LYS  65          2HB       LYS  65   0.845   8.898  -1.188
  468   1HG   LYS  65          1HG       LYS  65   2.638  10.827  -0.620
  469   2HG   LYS  65          2HG       LYS  65   3.505  10.203  -2.035
  470   1HD   LYS  65          1HD       LYS  65   1.825  12.114  -2.483
  471   2HD   LYS  65          2HD       LYS  65   1.750  10.732  -3.582
  472   1HE   LYS  65          1HE       LYS  65  -0.439  10.156  -2.825
  473   2HE   LYS  65          2HE       LYS  65  -0.098  10.662  -1.160
  474   1HZ   LYS  65          1HZ       LYS  65   0.054  13.088  -2.220
  475   2HZ   LYS  65          2HZ       LYS  65  -0.755  12.505  -3.482
  476   3HZ   LYS  65          3HZ       LYS  65  -1.448  12.501  -1.985
  477    H    MET  66           H        MET  66   1.383   5.982  -1.058
  478    HA   MET  66           HA       MET  66  -0.656   5.345   0.762
  479   1HB   MET  66          1HB       MET  66  -0.333   4.240  -1.440
  480   2HB   MET  66          2HB       MET  66   1.082   3.392  -0.856
  481   1HG   MET  66          1HG       MET  66  -1.292   2.798   0.856
  482   2HG   MET  66          2HG       MET  66  -1.525   2.329  -0.839
  483   1HE   MET  66          1HE       MET  66   1.218   1.664  -2.011
  484   2HE   MET  66          2HE       MET  66   1.362  -0.080  -1.638
  485   3HE   MET  66          3HE       MET  66  -0.216   0.599  -2.142
  486    H    MET  67           H        MET  67   2.736   4.523   1.246
  487    HA   MET  67           HA       MET  67   2.216   3.249   3.989
  488   1HB   MET  67          1HB       MET  67   4.128   2.480   2.302
  489   2HB   MET  67          2HB       MET  67   4.965   3.933   2.812
  490   1HG   MET  67          1HG       MET  67   5.440   3.153   4.968
  491   2HG   MET  67          2HG       MET  67   3.989   2.136   5.066
  492   1HE   MET  67          1HE       MET  67   7.073   2.893   2.972
  493   2HE   MET  67          2HE       MET  67   7.958   1.995   4.246
  494   3HE   MET  67          3HE       MET  67   7.816   1.309   2.598
  495    H    GLU  68           H        GLU  68   4.218   6.006   2.722
  496    HA   GLU  68           HA       GLU  68   4.827   6.780   5.556
  497   1HB   GLU  68          1HB       GLU  68   6.218   6.928   3.111
  498   2HB   GLU  68          2HB       GLU  68   5.912   8.594   3.495
  499   1HG   GLU  68          1HG       GLU  68   7.592   6.564   5.085
  500   2HG   GLU  68          2HG       GLU  68   8.088   8.122   4.449
  501    H    GLY  69           H        GLY  69   2.649   7.908   3.120
  502   1HA   GLY  69          1HA       GLY  69   1.821  10.594   3.842
  503   2HA   GLY  69          2HA       GLY  69   0.701   9.309   3.373
  504    H    VAL  70           H        VAL  70   1.649  11.351   5.842
  505    HA   VAL  70           HA       VAL  70   0.978   9.544   8.161
  506    HB   VAL  70           HB       VAL  70   2.992  11.281   7.895
  507   1HG1  VAL  70          1HG1      VAL  70   0.845  13.040   9.285
  508   2HG1  VAL  70          2HG1      VAL  70   2.591  13.397   9.248
  509   3HG1  VAL  70          3HG1      VAL  70   1.664  13.399   7.746
  510   1HG2  VAL  70          1HG2      VAL  70   2.694   9.732   9.871
  511   2HG2  VAL  70          2HG2      VAL  70   3.275  11.308  10.387
  512   3HG2  VAL  70          3HG2      VAL  70   1.557  10.870  10.626
  513    H    GLN  71           H        GLN  71  -0.460  10.193   9.861
  514    HA   GLN  71           HA       GLN  71  -3.101  11.369   9.085
  515   1HB   GLN  71          1HB       GLN  71  -3.282   9.662  10.672
  516   2HB   GLN  71          2HB       GLN  71  -1.887  10.197  11.606
  517   1HG   GLN  71          1HG       GLN  71  -3.617  10.887  13.036
  518   2HG   GLN  71          2HG       GLN  71  -3.451  12.375  12.123
  519   1HE2  GLN  71          1HE2      GLN  71  -7.063  11.410  12.349
  520   2HE2  GLN  71          2HE2      GLN  71  -5.685  11.600  13.567
  521   1HN   NH2  72          1HN       NH2  72  -4.024  13.416   9.763
  522   2HN   NH2  72          2HN       NH2  72  -3.006  14.775  10.309
   
  No H/Q in entry =         522
  Start of MODEL   23
    1   1H    ACE   1          1HH3      ACE   1  24.139   5.930  -1.636
    2   2H    ACE   1          2HH3      ACE   1  24.750   5.683   0.039
    3   3H    ACE   1          3HH3      ACE   1  25.083   4.478  -1.236
    4    H    LYS   2           H        LYS   2  22.099   6.135  -0.126
    5    HA   LYS   2           HA       LYS   2  20.444   3.679  -0.200
    6   1HB   LYS   2          1HB       LYS   2  21.043   2.751   1.733
    7   2HB   LYS   2          2HB       LYS   2  22.013   4.112   2.250
    8   1HG   LYS   2          1HG       LYS   2  18.960   4.403   2.522
    9   2HG   LYS   2          2HG       LYS   2  19.690   3.163   3.509
   10   1HD   LYS   2          1HD       LYS   2  21.391   5.439   3.920
   11   2HD   LYS   2          2HD       LYS   2  19.773   6.137   3.826
   12   1HE   LYS   2          1HE       LYS   2  19.919   5.614   6.121
   13   2HE   LYS   2          2HE       LYS   2  19.015   4.213   5.519
   14   1HZ   LYS   2          1HZ       LYS   2  21.985   3.828   5.422
   15   2HZ   LYS   2          2HZ       LYS   2  21.404   4.082   6.910
   16   3HZ   LYS   2          3HZ       LYS   2  20.846   2.844   6.130
   17    H    SER   3           H        SER   3  18.931   4.904  -1.258
   18    HA   SER   3           HA       SER   3  16.967   6.366   0.536
   19   1HB   SER   3          1HB       SER   3  17.209   8.167  -1.602
   20   2HB   SER   3          2HB       SER   3  17.793   8.420   0.026
   21    HG   SER   3           HG       SER   3  19.160   7.653  -2.308
   22    H    GLU   4           H        GLU   4  17.113   3.904  -1.371
   23    HA   GLU   4           HA       GLU   4  14.621   4.149  -2.844
   24   1HB   GLU   4          1HB       GLU   4  16.126   5.720  -4.219
   25   2HB   GLU   4          2HB       GLU   4  16.901   4.259  -4.782
   26   1HG   GLU   4          1HG       GLU   4  14.678   3.507  -5.831
   27   2HG   GLU   4          2HG       GLU   4  13.926   4.999  -5.278
   28    H    GLU   5           H        GLU   5  17.738   2.464  -2.909
   29    HA   GLU   5           HA       GLU   5  17.162   0.136  -4.245
   30   1HB   GLU   5          1HB       GLU   5  19.323   0.875  -3.043
   31   2HB   GLU   5          2HB       GLU   5  18.773  -0.036  -1.668
   32   1HG   GLU   5          1HG       GLU   5  18.606  -2.057  -3.548
   33   2HG   GLU   5          2HG       GLU   5  19.811  -1.067  -4.351
   34    H    GLU   6           H        GLU   6  16.669   0.102  -0.702
   35    HA   GLU   6           HA       GLU   6  15.436  -2.589  -0.892
   36   1HB   GLU   6          1HB       GLU   6  17.152  -1.561   0.848
   37   2HB   GLU   6          2HB       GLU   6  15.726  -1.110   1.735
   38   1HG   GLU   6          1HG       GLU   6  16.045  -3.181   2.753
   39   2HG   GLU   6          2HG       GLU   6  15.138  -3.802   1.386
   40    H    LEU   7           H        LEU   7  14.043   0.572  -0.559
   41    HA   LEU   7           HA       LEU   7  11.239  -0.412  -0.079
   42   1HB   LEU   7          1HB       LEU   7  12.293   2.230  -1.228
   43   2HB   LEU   7          2HB       LEU   7  10.600   1.904  -0.946
   44    HG   LEU   7           HG       LEU   7  12.257   3.190   0.838
   45   1HD1  LEU   7          1HD1      LEU   7   9.769   3.202   0.857
   46   2HD1  LEU   7          2HD1      LEU   7   9.724   1.551   1.528
   47   3HD1  LEU   7          3HD1      LEU   7  10.394   2.898   2.485
   48   1HD2  LEU   7          1HD2      LEU   7  12.069   0.258   1.856
   49   2HD2  LEU   7          2HD2      LEU   7  13.561   1.173   1.505
   50   3HD2  LEU   7          3HD2      LEU   7  12.531   1.663   2.852
   51    H    ALA   8           H        ALA   8  13.162   0.309  -3.027
   52    HA   ALA   8           HA       ALA   8  11.305  -0.628  -4.995
   53   1HB   ALA   8          1HB       ALA   8  14.390  -0.856  -4.922
   54   2HB   ALA   8          2HB       ALA   8  13.387  -1.028  -6.377
   55   3HB   ALA   8          3HB       ALA   8  13.432   0.519  -5.522
   56    H    ASN   9           H        ASN   9  14.020  -2.837  -4.087
   57    HA   ASN   9           HA       ASN   9  12.987  -5.366  -4.436
   58   1HB   ASN   9          1HB       ASN   9  14.481  -4.357  -1.920
   59   2HB   ASN   9          2HB       ASN   9  14.179  -6.047  -2.210
   60   1HD2  ASN   9          1HD2      ASN   9  16.736  -6.255  -4.723
   61   2HD2  ASN   9          2HD2      ASN   9  15.189  -7.016  -4.137
   62    H    ALA  10           H        ALA  10  11.998  -3.390  -1.642
   63    HA   ALA  10           HA       ALA  10   9.983  -5.250  -0.486
   64   1HB   ALA  10          1HB       ALA  10  11.082  -3.388   0.774
   65   2HB   ALA  10          2HB       ALA  10  10.277  -2.175  -0.255
   66   3HB   ALA  10          3HB       ALA  10   9.316  -3.221   0.813
   67    H    PHE  11           H        PHE  11   9.730  -2.598  -2.868
   68    HA   PHE  11           HA       PHE  11   6.841  -2.622  -3.194
   69   1HB   PHE  11          1HB       PHE  11   8.339  -0.749  -3.856
   70   2HB   PHE  11          2HB       PHE  11   9.046  -1.705  -5.114
   71    HD1  PHE  11           HD1      PHE  11   5.357  -1.442  -4.363
   72    HD2  PHE  11           HD2      PHE  11   8.518  -0.471  -7.117
   73    HE1  PHE  11           HE1      PHE  11   3.708  -0.559  -5.961
   74    HE2  PHE  11           HE2      PHE  11   6.849   0.386  -8.711
   75    HZ   PHE  11           HZ       PHE  11   4.447   0.395  -8.108
   76    H    ARG  12           H        ARG  12   9.279  -4.374  -5.176
   77    HA   ARG  12           HA       ARG  12   7.261  -5.967  -6.594
   78   1HB   ARG  12          1HB       ARG  12  10.276  -6.075  -6.298
   79   2HB   ARG  12          2HB       ARG  12   9.483  -7.529  -6.893
   80   1HG   ARG  12          1HG       ARG  12   8.264  -5.881  -8.615
   81   2HG   ARG  12          2HG       ARG  12   9.511  -4.711  -8.163
   82   1HD   ARG  12          1HD       ARG  12  10.871  -7.240  -8.700
   83   2HD   ARG  12          2HD       ARG  12   9.715  -6.957 -10.030
   84    HE   ARG  12           HE       ARG  12  11.595  -4.698  -9.135
   85   1HH1  ARG  12          2HH1      ARG  12  10.497  -6.795 -11.665
   86   2HH1  ARG  12          1HH1      ARG  12  11.459  -5.899 -12.937
   87   1HH2  ARG  12          1HH2      ARG  12  12.619  -4.211 -12.321
   88   2HH2  ARG  12          2HH2      ARG  12  12.638  -3.692 -10.572
   89    H    ILE  13           H        ILE  13   8.821  -6.444  -3.482
   90    HA   ILE  13           HA       ILE  13   8.354  -9.386  -3.240
   91    HB   ILE  13           HB       ILE  13   9.253  -7.237  -1.269
   92   1HG1  ILE  13          1HG1      ILE  13  10.872  -8.460  -3.030
   93   2HG1  ILE  13          2HG1      ILE  13  11.409  -8.089  -1.414
   94   1HG2  ILE  13          1HG2      ILE  13   7.847  -8.831   0.096
   95   2HG2  ILE  13          2HG2      ILE  13   8.757 -10.220  -0.543
   96   3HG2  ILE  13          3HG2      ILE  13   9.539  -9.029   0.514
   97   1HD1  ILE  13          1HD1      ILE  13  10.953 -10.431  -0.616
   98   2HD1  ILE  13          2HD1      ILE  13  10.457 -10.890  -2.264
   99   3HD1  ILE  13          3HD1      ILE  13  12.125 -10.370  -1.952
  100    H    PHE  14           H        PHE  14   6.617  -6.471  -2.296
  101    HA   PHE  14           HA       PHE  14   4.139  -7.706  -1.157
  102   1HB   PHE  14          1HB       PHE  14   4.801  -5.073  -2.593
  103   2HB   PHE  14          2HB       PHE  14   3.143  -5.538  -2.406
  104    HD1  PHE  14           HD1      PHE  14   6.202  -4.617  -0.480
  105    HD2  PHE  14           HD2      PHE  14   1.980  -5.373  -0.250
  106    HE1  PHE  14           HE1      PHE  14   6.144  -3.630   1.776
  107    HE2  PHE  14           HE2      PHE  14   1.924  -4.365   1.996
  108    HZ   PHE  14           HZ       PHE  14   3.997  -3.485   3.012
  109    H    ASP  15           H        ASP  15   5.112  -6.748  -4.468
  110    HA   ASP  15           HA       ASP  15   2.536  -7.357  -5.639
  111   1HB   ASP  15          1HB       ASP  15   4.103  -5.625  -6.482
  112   2HB   ASP  15          2HB       ASP  15   5.268  -6.843  -6.978
  113    H    LYS  16           H        LYS  16   1.843  -8.896  -7.194
  114    HA   LYS  16           HA       LYS  16   2.454 -11.670  -6.239
  115   1HB   LYS  16          1HB       LYS  16   0.289 -10.386  -7.846
  116   2HB   LYS  16          2HB       LYS  16   0.739 -11.942  -8.486
  117   1HG   LYS  16          1HG       LYS  16  -0.133 -11.406  -5.551
  118   2HG   LYS  16          2HG       LYS  16  -1.235 -11.880  -6.838
  119   1HD   LYS  16          1HD       LYS  16  -0.858 -13.994  -5.963
  120   2HD   LYS  16          2HD       LYS  16   0.439 -13.934  -7.154
  121   1HE   LYS  16          1HE       LYS  16   1.614 -14.787  -5.332
  122   2HE   LYS  16          2HE       LYS  16   2.028 -13.063  -5.231
  123   1HZ   LYS  16          1HZ       LYS  16  -0.404 -14.185  -3.753
  124   2HZ   LYS  16          2HZ       LYS  16   1.083 -14.056  -3.042
  125   3HZ   LYS  16          3HZ       LYS  16   0.310 -12.718  -3.554
  126    H    ASN  17           H        ASN  17   2.560 -10.028  -9.422
  127    HA   ASN  17           HA       ASN  17   4.543 -12.133 -10.411
  128   1HB   ASN  17          1HB       ASN  17   2.351 -10.942 -12.175
  129   2HB   ASN  17          2HB       ASN  17   3.273 -12.399 -12.432
  130   1HD2  ASN  17          1HD2      ASN  17  -0.138 -13.370 -11.443
  131   2HD2  ASN  17          2HD2      ASN  17   0.430 -12.112 -12.589
  132    H    ALA  18           H        ALA  18   4.416  -8.841  -9.973
  133    HA   ALA  18           HA       ALA  18   6.237  -7.304 -10.330
  134   1HB   ALA  18          1HB       ALA  18   7.458  -9.418  -9.690
  135   2HB   ALA  18          2HB       ALA  18   7.544  -9.881 -11.404
  136   3HB   ALA  18          3HB       ALA  18   8.406  -8.438 -10.843
  137    H    ASP  19           H        ASP  19   4.313  -7.233 -12.504
  138    HA   ASP  19           HA       ASP  19   5.939  -6.399 -14.857
  139   1HB   ASP  19          1HB       ASP  19   3.655  -5.361 -15.571
  140   2HB   ASP  19          2HB       ASP  19   3.729  -7.107 -15.373
  141    H    GLY  20           H        GLY  20   5.301  -4.891 -11.850
  142   1HA   GLY  20          1HA       GLY  20   7.126  -2.876 -11.537
  143   2HA   GLY  20          2HA       GLY  20   6.220  -2.182 -12.892
  144    H    TYR  21           H        TYR  21   3.786  -3.632 -11.278
  145    HA   TYR  21           HA       TYR  21   3.012  -0.895 -10.088
  146   1HB   TYR  21          1HB       TYR  21   1.113  -2.775 -11.632
  147   2HB   TYR  21          2HB       TYR  21   0.696  -1.244 -10.914
  148    HD1  TYR  21           HD1      TYR  21   2.464  -2.822 -13.794
  149    HD2  TYR  21           HD2      TYR  21   1.189   0.876 -12.005
  150    HE1  TYR  21           HE1      TYR  21   2.980  -1.608 -15.885
  151    HE2  TYR  21           HE2      TYR  21   1.711   2.059 -14.103
  152    HH   TYR  21           HH       TYR  21   3.390   1.587 -16.124
  153    H    ILE  22           H        ILE  22   1.591  -0.932  -8.277
  154    HA   ILE  22           HA       ILE  22   0.665  -3.659  -7.218
  155    HB   ILE  22           HB       ILE  22   1.163  -1.052  -5.685
  156   1HG1  ILE  22          1HG1      ILE  22   2.554  -3.791  -5.315
  157   2HG1  ILE  22          2HG1      ILE  22   3.237  -2.477  -6.233
  158   1HG2  ILE  22          1HG2      ILE  22  -0.857  -2.229  -4.704
  159   2HG2  ILE  22          2HG2      ILE  22   0.072  -3.732  -4.544
  160   3HG2  ILE  22          3HG2      ILE  22   0.489  -2.292  -3.579
  161   1HD1  ILE  22          1HD1      ILE  22   3.230  -0.967  -4.181
  162   2HD1  ILE  22          2HD1      ILE  22   2.725  -2.370  -3.206
  163   3HD1  ILE  22          3HD1      ILE  22   4.285  -2.397  -4.054
  164    H    ASP  23           H        ASP  23  -1.492  -4.015  -6.766
  165    HA   ASP  23           HA       ASP  23  -3.369  -2.097  -8.248
  166   1HB   ASP  23          1HB       ASP  23  -4.560  -4.241  -9.057
  167   2HB   ASP  23          2HB       ASP  23  -2.973  -3.927  -9.744
  168    H    ILE  24           H        ILE  24  -5.751  -2.787  -7.836
  169    HA   ILE  24           HA       ILE  24  -6.394  -2.521  -4.904
  170    HB   ILE  24           HB       ILE  24  -7.731  -1.617  -7.078
  171   1HG1  ILE  24          1HG1      ILE  24  -9.520  -2.403  -4.718
  172   2HG1  ILE  24          2HG1      ILE  24  -8.177  -1.335  -4.414
  173   1HG2  ILE  24          1HG2      ILE  24  -8.465  -3.899  -7.912
  174   2HG2  ILE  24          2HG2      ILE  24  -9.290  -4.211  -6.372
  175   3HG2  ILE  24          3HG2      ILE  24  -9.861  -2.931  -7.472
  176   1HD1  ILE  24          1HD1      ILE  24  -9.000   0.291  -6.193
  177   2HD1  ILE  24          2HD1      ILE  24 -10.476  -0.694  -6.348
  178   3HD1  ILE  24          3HD1      ILE  24 -10.097   0.092  -4.801
  179    H    GLU  25           H        GLU  25  -6.026  -5.121  -7.185
  180    HA   GLU  25           HA       GLU  25  -7.548  -7.191  -5.638
  181   1HB   GLU  25          1HB       GLU  25  -6.785  -7.009  -8.262
  182   2HB   GLU  25          2HB       GLU  25  -5.542  -8.076  -7.684
  183   1HG   GLU  25          1HG       GLU  25  -7.249  -9.777  -6.962
  184   2HG   GLU  25          2HG       GLU  25  -8.567  -8.678  -7.325
  185    H    GLU  26           H        GLU  26  -4.230  -6.069  -5.716
  186    HA   GLU  26           HA       GLU  26  -3.089  -8.427  -4.245
  187   1HB   GLU  26          1HB       GLU  26  -1.007  -7.649  -4.699
  188   2HB   GLU  26          2HB       GLU  26  -1.892  -7.009  -6.052
  189   1HG   GLU  26          1HG       GLU  26  -0.596  -5.122  -5.512
  190   2HG   GLU  26          2HG       GLU  26  -1.999  -4.741  -4.529
  191    H    LEU  27           H        LEU  27  -3.801  -5.055  -3.411
  192    HA   LEU  27           HA       LEU  27  -2.464  -4.743  -0.889
  193   1HB   LEU  27          1HB       LEU  27  -3.509  -2.904  -2.134
  194   2HB   LEU  27          2HB       LEU  27  -5.112  -3.539  -1.867
  195    HG   LEU  27           HG       LEU  27  -3.457  -2.816   0.598
  196   1HD1  LEU  27          1HD1      LEU  27  -3.129  -0.881  -0.946
  197   2HD1  LEU  27          2HD1      LEU  27  -4.894  -0.709  -1.163
  198   3HD1  LEU  27          3HD1      LEU  27  -4.135  -0.440   0.433
  199   1HD2  LEU  27          1HD2      LEU  27  -6.486  -2.512  -0.043
  200   2HD2  LEU  27          2HD2      LEU  27  -5.744  -3.810   0.939
  201   3HD2  LEU  27          3HD2      LEU  27  -5.688  -2.138   1.510
  202    H    GLY  28           H        GLY  28  -5.818  -5.960  -1.290
  203   1HA   GLY  28          1HA       GLY  28  -6.582  -6.140   1.559
  204   2HA   GLY  28          2HA       GLY  28  -7.317  -7.067   0.246
  205    H    GLU  29           H        GLU  29  -5.095  -8.573  -0.612
  206    HA   GLU  29           HA       GLU  29  -4.876 -10.637   1.488
  207   1HB   GLU  29          1HB       GLU  29  -4.132 -12.091  -0.113
  208   2HB   GLU  29          2HB       GLU  29  -5.131 -11.002  -1.028
  209   1HG   GLU  29          1HG       GLU  29  -3.198  -9.981  -2.151
  210   2HG   GLU  29          2HG       GLU  29  -2.058 -10.636  -0.990
  211    H    ILE  30           H        ILE  30  -2.701  -8.119   0.486
  212    HA   ILE  30           HA       ILE  30  -0.243  -8.919   1.974
  213    HB   ILE  30           HB       ILE  30  -1.338  -6.218   1.076
  214   1HG1  ILE  30          1HG1      ILE  30   0.409  -6.129  -0.525
  215   2HG1  ILE  30          2HG1      ILE  30   1.462  -7.184   0.378
  216   1HG2  ILE  30          1HG2      ILE  30  -0.216  -5.782   3.291
  217   2HG2  ILE  30          2HG2      ILE  30   1.256  -6.618   2.731
  218   3HG2  ILE  30          3HG2      ILE  30   0.727  -5.088   1.976
  219   1HD1  ILE  30          1HD1      ILE  30  -0.979  -8.255  -1.189
  220   2HD1  ILE  30          2HD1      ILE  30   0.731  -8.333  -1.665
  221   3HD1  ILE  30          3HD1      ILE  30   0.175  -9.219  -0.231
  222    H    LEU  31           H        LEU  31  -2.752  -6.549   2.925
  223    HA   LEU  31           HA       LEU  31  -2.217  -6.423   5.749
  224   1HB   LEU  31          1HB       LEU  31  -5.121  -6.310   4.949
  225   2HB   LEU  31          2HB       LEU  31  -4.227  -5.272   6.033
  226    HG   LEU  31           HG       LEU  31  -4.186  -5.168   2.962
  227   1HD1  LEU  31          1HD1      LEU  31  -5.230  -3.202   5.110
  228   2HD1  LEU  31          2HD1      LEU  31  -5.154  -2.872   3.358
  229   3HD1  LEU  31          3HD1      LEU  31  -6.192  -4.169   3.958
  230   1HD2  LEU  31          1HD2      LEU  31  -2.519  -3.482   4.965
  231   2HD2  LEU  31          2HD2      LEU  31  -1.887  -4.575   3.702
  232   3HD2  LEU  31          3HD2      LEU  31  -2.731  -3.094   3.237
  233    H    ARG  32           H        ARG  32  -4.440  -8.702   4.161
  234    HA   ARG  32           HA       ARG  32  -5.206 -10.043   6.697
  235   1HB   ARG  32          1HB       ARG  32  -6.467  -9.481   4.439
  236   2HB   ARG  32          2HB       ARG  32  -5.805 -11.001   3.839
  237   1HG   ARG  32          1HG       ARG  32  -8.175 -11.147   4.794
  238   2HG   ARG  32          2HG       ARG  32  -7.029 -12.279   5.535
  239   1HD   ARG  32          1HD       ARG  32  -6.753 -10.852   7.539
  240   2HD   ARG  32          2HD       ARG  32  -7.633  -9.506   6.781
  241    HE   ARG  32           HE       ARG  32  -9.598 -11.456   6.644
  242   1HH1  ARG  32          2HH1      ARG  32  -7.542 -10.689   9.337
  243   2HH1  ARG  32          1HH1      ARG  32  -8.802 -11.225  10.547
  244   1HH2  ARG  32          1HH2      ARG  32 -10.988 -12.060   8.036
  245   2HH2  ARG  32          2HH2      ARG  32 -10.649 -11.963   9.825
  246    H    ALA  33           H        ALA  33  -3.487 -11.291   3.809
  247    HA   ALA  33           HA       ALA  33  -3.056 -13.922   5.206
  248   1HB   ALA  33          1HB       ALA  33  -4.220 -13.787   3.010
  249   2HB   ALA  33          2HB       ALA  33  -2.771 -13.081   2.246
  250   3HB   ALA  33          3HB       ALA  33  -2.739 -14.747   2.864
  251    H    THR  34           H        THR  34  -1.071 -11.333   5.094
  252    HA   THR  34           HA       THR  34   1.474 -12.965   5.091
  253    HB   THR  34           HB       THR  34   0.912 -11.478   2.793
  254    HG1  THR  34           HG1      THR  34   3.403 -12.130   3.985
  255   1HG2  THR  34          2HG2      THR  34   1.256  -9.311   4.153
  256   2HG2  THR  34          3HG2      THR  34   2.934  -9.825   4.469
  257   3HG2  THR  34          1HG2      THR  34   2.414  -9.486   2.809
  258    H    GLY  35           H        GLY  35   3.001 -12.159   6.608
  259   1HA   GLY  35          1HA       GLY  35   4.279 -10.134   7.538
  260   2HA   GLY  35          2HA       GLY  35   2.751  -9.246   7.548
  261   1HN   NH2  36          1HN       NH2  36   3.163 -12.629   8.831
  262   2HN   NH2  36          2HN       NH2  36   2.865 -12.196  10.535
  263   1H    ACE  37          1HH3      ACE  37 -12.168  -3.622  14.205
  264   2H    ACE  37          2HH3      ACE  37 -10.860  -4.846  14.354
  265   3H    ACE  37          3HH3      ACE  37 -10.559  -3.150  14.815
  266    H    VAL  38           H        VAL  38 -11.694  -5.008  11.986
  267    HA   VAL  38           HA       VAL  38 -10.121  -3.290  10.011
  268    HB   VAL  38           HB       VAL  38  -9.310  -6.187  10.080
  269   1HG1  VAL  38          1HG1      VAL  38  -7.768  -3.542   9.551
  270   2HG1  VAL  38          2HG1      VAL  38  -7.034  -5.160   9.471
  271   3HG1  VAL  38          3HG1      VAL  38  -8.310  -4.713   8.335
  272   1HG2  VAL  38          1HG2      VAL  38  -9.080  -5.599  12.533
  273   2HG2  VAL  38          2HG2      VAL  38  -7.482  -5.771  11.775
  274   3HG2  VAL  38          3HG2      VAL  38  -8.143  -4.151  12.103
  275    H    THR  39           H        THR  39 -11.504  -3.106   8.334
  276    HA   THR  39           HA       THR  39 -13.489  -5.359   7.742
  277    HB   THR  39           HB       THR  39 -15.144  -3.356   7.130
  278    HG1  THR  39           HG1      THR  39 -14.315  -2.213   9.467
  279   1HG2  THR  39          2HG2      THR  39 -14.639  -4.300  10.041
  280   2HG2  THR  39          3HG2      THR  39 -16.148  -3.568   9.441
  281   3HG2  THR  39          1HG2      THR  39 -15.621  -5.148   8.824
  282    H    GLU  40           H        GLU  40 -14.509  -4.992   5.549
  283    HA   GLU  40           HA       GLU  40 -12.587  -4.287   3.362
  284   1HB   GLU  40          1HB       GLU  40 -15.568  -4.752   2.991
  285   2HB   GLU  40          2HB       GLU  40 -14.313  -4.874   1.796
  286   1HG   GLU  40          1HG       GLU  40 -14.171  -6.804   4.179
  287   2HG   GLU  40          2HG       GLU  40 -15.413  -7.081   2.971
  288    H    GLU  41           H        GLU  41 -15.177  -2.574   5.036
  289    HA   GLU  41           HA       GLU  41 -15.311  -0.236   3.391
  290   1HB   GLU  41          1HB       GLU  41 -15.747  -0.383   6.408
  291   2HB   GLU  41          2HB       GLU  41 -16.223   0.956   5.409
  292   1HG   GLU  41          1HG       GLU  41 -17.543  -1.205   4.119
  293   2HG   GLU  41          2HG       GLU  41 -17.589  -1.701   5.801
  294    H    ASP  42           H        ASP  42 -13.023  -0.757   6.065
  295    HA   ASP  42           HA       ASP  42 -11.744   1.837   5.970
  296   1HB   ASP  42          1HB       ASP  42 -10.903  -0.896   7.079
  297   2HB   ASP  42          2HB       ASP  42  -9.801   0.471   7.183
  298    H    ILE  43           H        ILE  43 -10.882  -1.094   4.176
  299    HA   ILE  43           HA       ILE  43  -8.446   0.029   2.811
  300    HB   ILE  43           HB       ILE  43 -10.121  -2.474   2.388
  301   1HG1  ILE  43          1HG1      ILE  43  -7.836  -3.634   2.548
  302   2HG1  ILE  43          2HG1      ILE  43  -7.093  -2.090   2.866
  303   1HG2  ILE  43          1HG2      ILE  43  -9.672  -1.659   0.040
  304   2HG2  ILE  43          2HG2      ILE  43  -7.942  -1.493   0.400
  305   3HG2  ILE  43          3HG2      ILE  43  -8.714  -3.098   0.362
  306   1HD1  ILE  43          1HD1      ILE  43  -8.448  -1.786   4.983
  307   2HD1  ILE  43          2HD1      ILE  43  -9.113  -3.427   4.768
  308   3HD1  ILE  43          3HD1      ILE  43  -7.367  -3.197   5.008
  309    H    GLU  44           H        GLU  44 -11.915  -0.281   2.001
  310    HA   GLU  44           HA       GLU  44 -11.613   0.736  -0.801
  311   1HB   GLU  44          1HB       GLU  44 -13.528  -0.288  -1.111
  312   2HB   GLU  44          2HB       GLU  44 -13.568  -0.757   0.561
  313   1HG   GLU  44          1HG       GLU  44 -15.379   0.621   1.020
  314   2HG   GLU  44          2HG       GLU  44 -14.668   2.011   0.219
  315    H    ASP  45           H        ASP  45 -12.463   2.147   2.301
  316    HA   ASP  45           HA       ASP  45 -13.304   4.844   1.278
  317   1HB   ASP  45          1HB       ASP  45 -12.677   3.700   4.060
  318   2HB   ASP  45          2HB       ASP  45 -12.961   5.420   3.830
  319    H    LEU  46           H        LEU  46 -10.322   3.513   2.698
  320    HA   LEU  46           HA       LEU  46  -8.736   6.012   2.504
  321   1HB   LEU  46          1HB       LEU  46  -8.296   4.142   4.088
  322   2HB   LEU  46          2HB       LEU  46  -7.822   3.086   2.779
  323    HG   LEU  46           HG       LEU  46  -6.099   4.701   4.349
  324   1HD1  LEU  46          1HD1      LEU  46  -5.803   2.494   2.889
  325   2HD1  LEU  46          2HD1      LEU  46  -5.212   3.605   1.645
  326   3HD1  LEU  46          3HD1      LEU  46  -4.380   3.521   3.225
  327   1HD2  LEU  46          1HD2      LEU  46  -6.912   6.540   2.466
  328   2HD2  LEU  46          2HD2      LEU  46  -5.303   6.520   3.193
  329   3HD2  LEU  46          3HD2      LEU  46  -5.551   5.792   1.579
  330    H    MET  47           H        MET  47  -8.406   3.099   0.453
  331    HA   MET  47           HA       MET  47  -6.627   4.208  -1.498
  332   1HB   MET  47          1HB       MET  47  -7.013   1.810  -1.389
  333   2HB   MET  47          2HB       MET  47  -8.717   1.983  -1.775
  334   1HG   MET  47          1HG       MET  47  -7.336   1.167  -3.752
  335   2HG   MET  47          2HG       MET  47  -8.271   2.634  -4.098
  336   1HE   MET  47          1HE       MET  47  -5.335   0.988  -4.952
  337   2HE   MET  47          2HE       MET  47  -6.137   2.087  -6.111
  338   3HE   MET  47          3HE       MET  47  -4.424   2.358  -5.677
  339    H    LYS  48           H        LYS  48 -10.199   4.173  -1.644
  340    HA   LYS  48           HA       LYS  48 -10.293   5.463  -4.341
  341   1HB   LYS  48          1HB       LYS  48 -12.491   4.659  -2.360
  342   2HB   LYS  48          2HB       LYS  48 -12.843   5.214  -3.967
  343   1HG   LYS  48          1HG       LYS  48 -11.642   3.157  -4.930
  344   2HG   LYS  48          2HG       LYS  48 -11.112   2.711  -3.339
  345   1HD   LYS  48          1HD       LYS  48 -12.901   1.394  -3.096
  346   2HD   LYS  48          2HD       LYS  48 -13.906   2.790  -2.890
  347   1HE   LYS  48          1HE       LYS  48 -13.770   2.558  -5.747
  348   2HE   LYS  48          2HE       LYS  48 -13.663   0.885  -5.226
  349   1HZ   LYS  48          1HZ       LYS  48 -15.770   2.552  -3.919
  350   2HZ   LYS  48          2HZ       LYS  48 -16.090   2.103  -5.404
  351   3HZ   LYS  48          3HZ       LYS  48 -15.836   0.953  -4.239
  352    H    ASP  49           H        ASP  49 -10.433   6.629  -1.072
  353    HA   ASP  49           HA       ASP  49 -11.191   9.466  -1.785
  354   1HB   ASP  49          1HB       ASP  49 -11.498   8.784   0.541
  355   2HB   ASP  49          2HB       ASP  49  -9.833   8.242   0.694
  356    H    SER  50           H        SER  50  -8.109   7.721  -1.306
  357    HA   SER  50           HA       SER  50  -6.335  10.040  -1.896
  358   1HB   SER  50          1HB       SER  50  -5.945   7.034  -1.510
  359   2HB   SER  50          2HB       SER  50  -4.639   7.942  -2.264
  360    HG   SER  50           HG       SER  50  -4.747   7.712   0.144
  361    H    ASP  51           H        ASP  51  -8.046   7.774  -3.885
  362    HA   ASP  51           HA       ASP  51  -6.341   7.799  -6.250
  363   1HB   ASP  51          1HB       ASP  51  -8.293   6.169  -5.453
  364   2HB   ASP  51          2HB       ASP  51  -9.352   7.225  -6.376
  365    H    LYS  52           H        LYS  52  -6.416   8.834  -8.194
  366    HA   LYS  52           HA       LYS  52  -7.929  11.417  -8.640
  367   1HB   LYS  52          1HB       LYS  52  -6.389   9.674 -10.634
  368   2HB   LYS  52          2HB       LYS  52  -6.905  11.305 -10.934
  369   1HG   LYS  52          1HG       LYS  52  -4.597  10.271  -9.163
  370   2HG   LYS  52          2HG       LYS  52  -4.535  11.428 -10.454
  371   1HD   LYS  52          1HD       LYS  52  -6.271  12.637  -8.504
  372   2HD   LYS  52          2HD       LYS  52  -4.962  12.003  -7.564
  373   1HE   LYS  52          1HE       LYS  52  -3.993  13.469 -10.039
  374   2HE   LYS  52          2HE       LYS  52  -5.044  14.467  -9.037
  375   1HZ   LYS  52          1HZ       LYS  52  -2.724  12.942  -7.762
  376   2HZ   LYS  52          2HZ       LYS  52  -2.588  14.516  -8.259
  377   3HZ   LYS  52          3HZ       LYS  52  -3.615  14.058  -7.076
  378    H    ASN  53           H        ASN  53  -8.477  10.363 -11.474
  379    HA   ASN  53           HA       ASN  53 -11.335  10.227 -10.963
  380   1HB   ASN  53          1HB       ASN  53 -11.359   9.935 -13.632
  381   2HB   ASN  53          2HB       ASN  53 -10.838  11.430 -12.907
  382   1HD2  ASN  53          1HD2      ASN  53  -7.939  11.190 -14.894
  383   2HD2  ASN  53          2HD2      ASN  53  -9.386  12.155 -14.359
  384    H    ASN  54           H        ASN  54  -9.414   7.645 -10.590
  385    HA   ASN  54           HA       ASN  54 -10.178   5.527  -9.743
  386   1HB   ASN  54          1HB       ASN  54 -12.842   6.886 -10.488
  387   2HB   ASN  54          2HB       ASN  54 -12.843   5.212 -10.007
  388   1HD2  ASN  54          1HD2      ASN  54 -13.176   7.666  -7.070
  389   2HD2  ASN  54          2HD2      ASN  54 -13.871   7.740  -8.751
  390    H    ASP  55           H        ASP  55  -9.321   5.880 -12.566
  391    HA   ASP  55           HA       ASP  55  -9.711   2.901 -12.960
  392   1HB   ASP  55          1HB       ASP  55  -9.442   3.476 -15.601
  393   2HB   ASP  55          2HB       ASP  55 -11.010   3.368 -14.813
  394    H    GLY  56           H        GLY  56  -7.634   3.236 -11.579
  395   1HA   GLY  56          1HA       GLY  56  -5.149   3.815 -13.168
  396   2HA   GLY  56          2HA       GLY  56  -5.508   5.087 -11.993
  397    H    ARG  57           H        ARG  57  -5.308   1.474 -11.962
  398    HA   ARG  57           HA       ARG  57  -4.171   0.834  -9.529
  399   1HB   ARG  57          1HB       ARG  57  -3.339  -0.007 -12.344
  400   2HB   ARG  57          2HB       ARG  57  -2.456  -0.641 -10.956
  401   1HG   ARG  57          1HG       ARG  57  -4.111  -2.304 -11.206
  402   2HG   ARG  57          2HG       ARG  57  -4.901  -1.272 -10.016
  403   1HD   ARG  57          1HD       ARG  57  -6.345  -0.235 -11.737
  404   2HD   ARG  57          2HD       ARG  57  -5.349  -0.875 -13.043
  405    HE   ARG  57           HE       ARG  57  -7.315  -2.537 -11.458
  406   1HH1  ARG  57          2HH1      ARG  57  -4.537  -2.744 -13.518
  407   2HH1  ARG  57          1HH1      ARG  57  -5.022  -4.427 -14.086
  408   1HH2  ARG  57          1HH2      ARG  57  -7.728  -4.410 -11.987
  409   2HH2  ARG  57          2HH2      ARG  57  -6.712  -5.359 -13.180
  410    H    ILE  58           H        ILE  58  -1.985   0.563  -8.669
  411    HA   ILE  58           HA       ILE  58  -0.821   3.366  -8.604
  412    HB   ILE  58           HB       ILE  58  -0.964   1.134  -6.533
  413   1HG1  ILE  58          1HG1      ILE  58  -2.011   4.039  -6.603
  414   2HG1  ILE  58          2HG1      ILE  58  -2.959   2.579  -6.605
  415   1HG2  ILE  58          1HG2      ILE  58   1.372   2.089  -6.329
  416   2HG2  ILE  58          2HG2      ILE  58   0.710   3.731  -6.207
  417   3HG2  ILE  58          3HG2      ILE  58   0.401   2.531  -4.930
  418   1HD1  ILE  58          1HD1      ILE  58  -2.203   1.989  -4.256
  419   2HD1  ILE  58          2HD1      ILE  58  -1.333   3.543  -4.175
  420   3HD1  ILE  58          3HD1      ILE  58  -3.100   3.524  -4.365
  421    H    ASP  59           H        ASP  59   1.266   3.839  -9.000
  422    HA   ASP  59           HA       ASP  59   3.295   1.602  -9.449
  423   1HB   ASP  59          1HB       ASP  59   4.466   3.258 -10.925
  424   2HB   ASP  59          2HB       ASP  59   2.810   2.955 -11.432
  425    H    PHE  60           H        PHE  60   5.668   2.742  -9.271
  426    HA   PHE  60           HA       PHE  60   6.264   2.457  -6.447
  427   1HB   PHE  60          1HB       PHE  60   7.785   2.097  -8.564
  428   2HB   PHE  60          2HB       PHE  60   8.169   3.783  -8.458
  429    HD1  PHE  60           HD1      PHE  60   7.692   1.961  -5.276
  430    HD2  PHE  60           HD2      PHE  60  10.595   3.294  -8.147
  431    HE1  PHE  60           HE1      PHE  60   9.478   1.611  -3.630
  432    HE2  PHE  60           HE2      PHE  60  12.386   2.954  -6.481
  433    HZ   PHE  60           HZ       PHE  60  11.832   2.088  -4.227
  434    H    ASP  61           H        ASP  61   5.747   5.395  -8.289
  435    HA   ASP  61           HA       ASP  61   6.616   7.501  -6.401
  436   1HB   ASP  61          1HB       ASP  61   5.974   8.384  -8.505
  437   2HB   ASP  61          2HB       ASP  61   4.689   7.217  -8.751
  438    H    GLU  62           H        GLU  62   3.298   6.863  -7.142
  439    HA   GLU  62           HA       GLU  62   1.729   7.420  -4.840
  440   1HB   GLU  62          1HB       GLU  62   1.283   4.877  -6.448
  441   2HB   GLU  62          2HB       GLU  62   0.097   5.800  -5.575
  442   1HG   GLU  62          1HG       GLU  62   1.579   6.982  -8.024
  443   2HG   GLU  62          2HG       GLU  62   0.119   6.026  -8.194
  444    H    PHE  63           H        PHE  63   4.010   4.725  -5.035
  445    HA   PHE  63           HA       PHE  63   3.116   3.312  -2.527
  446   1HB   PHE  63          1HB       PHE  63   4.551   2.321  -4.447
  447   2HB   PHE  63          2HB       PHE  63   5.891   3.240  -3.850
  448    HD1  PHE  63           HD1      PHE  63   6.222   3.024  -1.098
  449    HD2  PHE  63           HD2      PHE  63   4.728  -0.031  -3.735
  450    HE1  PHE  63           HE1      PHE  63   7.051   1.305   0.418
  451    HE2  PHE  63           HE2      PHE  63   5.566  -1.751  -2.186
  452    HZ   PHE  63           HZ       PHE  63   6.693  -1.089  -0.084
  453    H    LEU  64           H        LEU  64   5.999   5.329  -3.196
  454    HA   LEU  64           HA       LEU  64   6.852   5.885  -0.533
  455   1HB   LEU  64          1HB       LEU  64   7.026   7.611  -3.050
  456   2HB   LEU  64          2HB       LEU  64   7.753   8.138  -1.552
  457    HG   LEU  64           HG       LEU  64   8.477   5.443  -2.846
  458   1HD1  LEU  64          1HD1      LEU  64   9.775   8.214  -3.319
  459   2HD1  LEU  64          2HD1      LEU  64  10.501   6.654  -3.793
  460   3HD1  LEU  64          3HD1      LEU  64   8.967   7.157  -4.509
  461   1HD2  LEU  64          1HD2      LEU  64   9.945   7.205  -0.749
  462   2HD2  LEU  64          2HD2      LEU  64   9.224   5.592  -0.478
  463   3HD2  LEU  64          3HD2      LEU  64  10.638   5.760  -1.528
  464    H    LYS  65           H        LYS  65   4.412   7.781  -2.317
  465    HA   LYS  65           HA       LYS  65   3.870   9.671  -0.081
  466   1HB   LYS  65          1HB       LYS  65   2.776  10.788  -1.728
  467   2HB   LYS  65          2HB       LYS  65   3.704   9.734  -2.777
  468   1HG   LYS  65          1HG       LYS  65   1.548   8.231  -2.897
  469   2HG   LYS  65          2HG       LYS  65   0.723   9.505  -1.981
  470   1HD   LYS  65          1HD       LYS  65   1.575   9.485  -4.833
  471   2HD   LYS  65          2HD       LYS  65   0.260  10.399  -4.086
  472   1HE   LYS  65          1HE       LYS  65   2.254  11.981  -3.191
  473   2HE   LYS  65          2HE       LYS  65   3.256  11.107  -4.364
  474   1HZ   LYS  65          1HZ       LYS  65   0.606  12.199  -5.304
  475   2HZ   LYS  65          2HZ       LYS  65   1.823  13.243  -5.191
  476   3HZ   LYS  65          3HZ       LYS  65   1.936  11.955  -6.215
  477    H    MET  66           H        MET  66   2.386   6.615  -1.123
  478    HA   MET  66           HA       MET  66   0.095   6.604   0.627
  479   1HB   MET  66          1HB       MET  66   0.375   5.054  -1.278
  480   2HB   MET  66          2HB       MET  66   1.754   4.285  -0.520
  481   1HG   MET  66          1HG       MET  66   0.457   3.106   1.103
  482   2HG   MET  66          2HG       MET  66  -0.946   4.178   0.938
  483   1HE   MET  66          1HE       MET  66   1.120   1.213  -0.450
  484   2HE   MET  66          2HE       MET  66   0.490   0.987  -2.109
  485   3HE   MET  66          3HE       MET  66   1.456   2.440  -1.711
  486    H    MET  67           H        MET  67   3.282   5.093   1.322
  487    HA   MET  67           HA       MET  67   2.509   4.784   4.269
  488   1HB   MET  67          1HB       MET  67   3.724   2.834   4.292
  489   2HB   MET  67          2HB       MET  67   3.444   2.891   2.563
  490   1HG   MET  67          1HG       MET  67   5.720   4.025   2.230
  491   2HG   MET  67          2HG       MET  67   6.048   3.786   3.957
  492   1HE   MET  67          1HE       MET  67   8.006   2.995   2.615
  493   2HE   MET  67          2HE       MET  67   8.252   1.509   3.580
  494   3HE   MET  67          3HE       MET  67   8.174   1.414   1.791
  495    H    GLU  68           H        GLU  68   4.219   7.068   2.475
  496    HA   GLU  68           HA       GLU  68   5.319   8.040   5.144
  497   1HB   GLU  68          1HB       GLU  68   6.672   7.840   2.807
  498   2HB   GLU  68          2HB       GLU  68   6.077   9.458   2.596
  499   1HG   GLU  68          1HG       GLU  68   8.209   9.832   3.590
  500   2HG   GLU  68          2HG       GLU  68   7.164   9.970   4.993
  501    H    GLY  69           H        GLY  69   2.975   8.922   2.644
  502   1HA   GLY  69          1HA       GLY  69   2.777  11.825   3.620
  503   2HA   GLY  69          2HA       GLY  69   2.082  11.215   2.113
  504    H    VAL  70           H        VAL  70   1.538  11.691   5.502
  505    HA   VAL  70           HA       VAL  70  -1.244  10.386   5.355
  506    HB   VAL  70           HB       VAL  70   0.628   9.164   6.800
  507   1HG1  VAL  70          1HG1      VAL  70  -0.372  11.297   8.821
  508   2HG1  VAL  70          2HG1      VAL  70   0.529   9.822   9.255
  509   3HG1  VAL  70          3HG1      VAL  70   1.308  11.068   8.277
  510   1HG2  VAL  70          1HG2      VAL  70  -1.791   8.435   6.700
  511   2HG2  VAL  70          2HG2      VAL  70  -1.144   8.252   8.323
  512   3HG2  VAL  70          3HG2      VAL  70  -2.228   9.623   7.947
  513    H    GLN  71           H        GLN  71  -2.604  11.350   7.278
  514    HA   GLN  71           HA       GLN  71  -3.111  14.084   7.092
  515   1HB   GLN  71          1HB       GLN  71  -4.315  12.123   8.405
  516   2HB   GLN  71          2HB       GLN  71  -3.466  12.756   9.813
  517   1HG   GLN  71          1HG       GLN  71  -4.489  15.120   9.042
  518   2HG   GLN  71          2HG       GLN  71  -5.594  14.174   8.062
  519   1HE2  GLN  71          1HE2      GLN  71  -6.759  12.753  11.439
  520   2HE2  GLN  71          2HE2      GLN  71  -5.632  12.025  10.167
  521   1HN   NH2  72          1HN       NH2  72  -1.640  15.774   7.138
  522   2HN   NH2  72          2HN       NH2  72  -0.553  16.134   8.506
   
  No H/Q in entry =         522
  Start of MODEL   24
    1   1H    ACE   1          1HH3      ACE   1  23.525   8.907  -3.693
    2   2H    ACE   1          2HH3      ACE   1  23.785  10.317  -2.606
    3   3H    ACE   1          3HH3      ACE   1  24.379   8.695  -2.148
    4    H    LYS   2           H        LYS   2  21.278  10.163  -3.159
    5    HA   LYS   2           HA       LYS   2  19.563   8.959  -1.047
    6   1HB   LYS   2          1HB       LYS   2  17.677   9.529  -2.405
    7   2HB   LYS   2          2HB       LYS   2  18.772  10.893  -2.448
    8   1HG   LYS   2          1HG       LYS   2  19.571   9.678  -4.808
    9   2HG   LYS   2          2HG       LYS   2  18.030   8.873  -4.663
   10   1HD   LYS   2          1HD       LYS   2  17.933  10.946  -6.111
   11   2HD   LYS   2          2HD       LYS   2  16.783  11.015  -4.775
   12   1HE   LYS   2          1HE       LYS   2  17.957  12.658  -3.584
   13   2HE   LYS   2          2HE       LYS   2  19.554  12.199  -4.202
   14   1HZ   LYS   2          1HZ       LYS   2  18.175  13.068  -6.529
   15   2HZ   LYS   2          2HZ       LYS   2  17.553  14.018  -5.377
   16   3HZ   LYS   2          3HZ       LYS   2  19.100  14.096  -5.606
   17    H    SER   3           H        SER   3  19.298   6.846  -0.741
   18    HA   SER   3           HA       SER   3  19.995   4.875  -2.989
   19   1HB   SER   3          1HB       SER   3  20.748   4.972  -0.061
   20   2HB   SER   3          2HB       SER   3  20.524   3.386  -0.759
   21    HG   SER   3           HG       SER   3  22.076   5.355  -2.119
   22    H    GLU   4           H        GLU   4  18.339   3.811  -3.739
   23    HA   GLU   4           HA       GLU   4  15.759   3.515  -2.129
   24   1HB   GLU   4          1HB       GLU   4  15.347   2.666  -4.850
   25   2HB   GLU   4          2HB       GLU   4  14.513   3.807  -3.822
   26   1HG   GLU   4          1HG       GLU   4  17.059   4.839  -5.150
   27   2HG   GLU   4          2HG       GLU   4  15.701   4.509  -6.218
   28    H    GLU   5           H        GLU   5  18.316   1.916  -1.927
   29    HA   GLU   5           HA       GLU   5  17.902  -0.770  -2.757
   30   1HB   GLU   5          1HB       GLU   5  20.041  -0.235  -2.066
   31   2HB   GLU   5          2HB       GLU   5  19.547   0.471  -0.558
   32   1HG   GLU   5          1HG       GLU   5  18.899  -2.075   0.121
   33   2HG   GLU   5          2HG       GLU   5  19.949  -2.510  -1.215
   34    H    GLU   6           H        GLU   6  17.181   0.261   0.599
   35    HA   GLU   6           HA       GLU   6  15.845  -2.224   1.407
   36   1HB   GLU   6          1HB       GLU   6  16.600  -1.135   3.232
   37   2HB   GLU   6          2HB       GLU   6  16.302   0.459   2.608
   38   1HG   GLU   6          1HG       GLU   6  13.707  -0.076   3.103
   39   2HG   GLU   6          2HG       GLU   6  14.326  -1.381   4.098
   40    H    LEU   7           H        LEU   7  14.437   0.802   0.153
   41    HA   LEU   7           HA       LEU   7  11.567   0.081   0.652
   42   1HB   LEU   7          1HB       LEU   7  12.850   2.206  -1.152
   43   2HB   LEU   7          2HB       LEU   7  11.125   2.034  -0.939
   44    HG   LEU   7           HG       LEU   7  12.643   3.789   0.488
   45   1HD1  LEU   7          1HD1      LEU   7  10.157   3.737   0.394
   46   2HD1  LEU   7          2HD1      LEU   7  10.100   2.366   1.531
   47   3HD1  LEU   7          3HD1      LEU   7  10.703   3.958   2.062
   48   1HD2  LEU   7          1HD2      LEU   7  12.442   1.298   2.338
   49   2HD2  LEU   7          2HD2      LEU   7  13.938   2.106   1.791
   50   3HD2  LEU   7          3HD2      LEU   7  12.836   2.951   2.881
   51    H    ALA   8           H        ALA   8  13.435   0.333  -2.396
   52    HA   ALA   8           HA       ALA   8  11.465  -0.953  -4.073
   53   1HB   ALA   8          1HB       ALA   8  14.502  -0.536  -4.498
   54   2HB   ALA   8          2HB       ALA   8  13.336  -0.936  -5.776
   55   3HB   ALA   8          3HB       ALA   8  13.197   0.601  -4.912
   56    H    ASN   9           H        ASN   9  14.556  -2.563  -2.965
   57    HA   ASN   9           HA       ASN   9  14.026  -5.275  -3.222
   58   1HB   ASN   9          1HB       ASN   9  14.883  -3.795  -0.643
   59   2HB   ASN   9          2HB       ASN   9  14.891  -5.532  -0.762
   60   1HD2  ASN   9          1HD2      ASN   9  18.296  -4.346  -1.633
   61   2HD2  ASN   9          2HD2      ASN   9  17.196  -4.303  -0.183
   62    H    ALA  10           H        ALA  10  12.433  -3.426  -0.593
   63    HA   ALA  10           HA       ALA  10  10.616  -5.571   0.216
   64   1HB   ALA  10          1HB       ALA  10  11.426  -3.706   1.674
   65   2HB   ALA  10          2HB       ALA  10  10.453  -2.526   0.758
   66   3HB   ALA  10          3HB       ALA  10   9.654  -3.805   1.699
   67    H    PHE  11           H        PHE  11  10.081  -2.888  -2.046
   68    HA   PHE  11           HA       PHE  11   7.200  -3.275  -2.437
   69   1HB   PHE  11          1HB       PHE  11   8.467  -1.167  -2.912
   70   2HB   PHE  11          2HB       PHE  11   9.290  -1.928  -4.231
   71    HD1  PHE  11           HD1      PHE  11   5.920  -0.714  -3.154
   72    HD2  PHE  11           HD2      PHE  11   8.249  -2.147  -6.476
   73    HE1  PHE  11           HE1      PHE  11   4.261   0.200  -4.724
   74    HE2  PHE  11           HE2      PHE  11   6.588  -1.203  -8.032
   75    HZ   PHE  11           HZ       PHE  11   4.591  -0.031  -7.154
   76    H    ARG  12           H        ARG  12   9.933  -4.485  -4.436
   77    HA   ARG  12           HA       ARG  12   8.326  -6.294  -6.067
   78   1HB   ARG  12          1HB       ARG  12  10.945  -5.529  -6.101
   79   2HB   ARG  12          2HB       ARG  12  11.161  -7.106  -5.350
   80   1HG   ARG  12          1HG       ARG  12   9.590  -7.962  -7.383
   81   2HG   ARG  12          2HG       ARG  12  10.057  -6.438  -8.149
   82   1HD   ARG  12          1HD       ARG  12  11.612  -8.223  -8.880
   83   2HD   ARG  12          2HD       ARG  12  12.506  -7.034  -7.893
   84    HE   ARG  12           HE       ARG  12  11.409  -9.641  -6.674
   85   1HH1  ARG  12          2HH1      ARG  12  13.970  -7.321  -6.939
   86   2HH1  ARG  12          1HH1      ARG  12  15.020  -8.221  -5.743
   87   1HH2  ARG  12          1HH2      ARG  12  12.612 -10.652  -5.370
   88   2HH2  ARG  12          2HH2      ARG  12  14.263 -10.036  -4.901
   89    H    ILE  13           H        ILE  13   9.693  -6.747  -2.835
   90    HA   ILE  13           HA       ILE  13   9.287  -9.701  -2.697
   91    HB   ILE  13           HB       ILE  13  10.098  -7.591  -0.651
   92   1HG1  ILE  13          1HG1      ILE  13  11.895  -8.473  -2.222
   93   2HG1  ILE  13          2HG1      ILE  13  12.241  -8.716  -0.531
   94   1HG2  ILE  13          1HG2      ILE  13   8.668  -9.217   0.651
   95   2HG2  ILE  13          2HG2      ILE  13   9.605 -10.589   0.013
   96   3HG2  ILE  13          3HG2      ILE  13  10.350  -9.410   1.111
   97   1HD1  ILE  13          1HD1      ILE  13  11.554 -11.134  -0.632
   98   2HD1  ILE  13          2HD1      ILE  13  11.247 -10.968  -2.379
   99   3HD1  ILE  13          3HD1      ILE  13  12.888 -10.745  -1.742
  100    H    PHE  14           H        PHE  14   7.418  -6.872  -1.796
  101    HA   PHE  14           HA       PHE  14   5.015  -8.303  -0.665
  102   1HB   PHE  14          1HB       PHE  14   5.561  -5.494  -1.776
  103   2HB   PHE  14          2HB       PHE  14   3.921  -6.034  -1.632
  104    HD1  PHE  14           HD1      PHE  14   4.646  -7.760   1.034
  105    HD2  PHE  14           HD2      PHE  14   5.101  -3.653  -0.139
  106    HE1  PHE  14           HE1      PHE  14   4.526  -7.067   3.395
  107    HE2  PHE  14           HE2      PHE  14   5.004  -2.969   2.225
  108    HZ   PHE  14           HZ       PHE  14   4.734  -4.669   3.997
  109    H    ASP  15           H        ASP  15   5.952  -7.013  -3.871
  110    HA   ASP  15           HA       ASP  15   3.387  -7.391  -5.109
  111   1HB   ASP  15          1HB       ASP  15   5.079  -5.756  -5.867
  112   2HB   ASP  15          2HB       ASP  15   6.175  -7.030  -6.378
  113    H    LYS  16           H        LYS  16   2.577  -8.871  -6.758
  114    HA   LYS  16           HA       LYS  16   3.531 -11.679  -6.096
  115   1HB   LYS  16          1HB       LYS  16   0.556 -10.889  -6.026
  116   2HB   LYS  16          2HB       LYS  16   1.194 -12.482  -5.730
  117   1HG   LYS  16          1HG       LYS  16   1.970 -11.870  -3.522
  118   2HG   LYS  16          2HG       LYS  16   2.111 -10.167  -3.938
  119   1HD   LYS  16          1HD       LYS  16   0.206 -10.493  -2.392
  120   2HD   LYS  16          2HD       LYS  16  -0.324  -9.873  -3.954
  121   1HE   LYS  16          1HE       LYS  16  -0.521 -12.873  -3.365
  122   2HE   LYS  16          2HE       LYS  16  -1.820 -11.754  -2.906
  123   1HZ   LYS  16          1HZ       LYS  16  -1.073 -11.055  -5.598
  124   2HZ   LYS  16          2HZ       LYS  16  -1.212 -12.702  -5.571
  125   3HZ   LYS  16          3HZ       LYS  16  -2.465 -11.775  -5.100
  126    H    ASN  17           H        ASN  17   1.560  -9.595  -8.192
  127    HA   ASN  17           HA       ASN  17   1.437 -11.632 -10.366
  128   1HB   ASN  17          1HB       ASN  17   0.307  -8.784 -10.179
  129   2HB   ASN  17          2HB       ASN  17   0.052  -9.819 -11.558
  130   1HD2  ASN  17          1HD2      ASN  17  -2.515 -11.657  -9.883
  131   2HD2  ASN  17          2HD2      ASN  17  -1.483 -11.559 -11.347
  132    H    ALA  18           H        ALA  18   3.115  -8.496 -10.002
  133    HA   ALA  18           HA       ALA  18   5.332  -7.945 -10.841
  134   1HB   ALA  18          1HB       ALA  18   5.767 -10.427 -10.704
  135   2HB   ALA  18          2HB       ALA  18   5.062 -10.635 -12.323
  136   3HB   ALA  18          3HB       ALA  18   6.556  -9.701 -12.132
  137    H    ASP  19           H        ASP  19   2.895  -6.924 -12.197
  138    HA   ASP  19           HA       ASP  19   4.234  -6.129 -14.788
  139   1HB   ASP  19          1HB       ASP  19   1.786  -4.694 -13.658
  140   2HB   ASP  19          2HB       ASP  19   2.202  -5.035 -15.332
  141    H    GLY  20           H        GLY  20   5.152  -5.439 -11.783
  142   1HA   GLY  20          1HA       GLY  20   6.586  -3.580 -11.022
  143   2HA   GLY  20          2HA       GLY  20   5.887  -2.553 -12.281
  144    H    TYR  21           H        TYR  21   3.141  -3.628 -11.004
  145    HA   TYR  21           HA       TYR  21   2.899  -1.078  -9.284
  146   1HB   TYR  21          1HB       TYR  21   0.605  -2.234 -10.970
  147   2HB   TYR  21          2HB       TYR  21   0.682  -0.689 -10.176
  148    HD1  TYR  21           HD1      TYR  21   3.854  -0.567 -11.420
  149    HD2  TYR  21           HD2      TYR  21  -0.148  -0.858 -12.970
  150    HE1  TYR  21           HE1      TYR  21   4.568   0.518 -13.525
  151    HE2  TYR  21           HE2      TYR  21   0.596   0.206 -15.064
  152    HH   TYR  21           HH       TYR  21   2.824   0.368 -16.309
  153    H    ILE  22           H        ILE  22   1.473  -1.100  -7.524
  154    HA   ILE  22           HA       ILE  22   0.340  -3.777  -6.586
  155    HB   ILE  22           HB       ILE  22   0.548  -1.175  -4.980
  156   1HG1  ILE  22          1HG1      ILE  22   2.555  -3.482  -5.224
  157   2HG1  ILE  22          2HG1      ILE  22   2.852  -1.766  -5.268
  158   1HG2  ILE  22          1HG2      ILE  22  -1.208  -2.768  -4.082
  159   2HG2  ILE  22          2HG2      ILE  22  -0.010  -4.074  -4.001
  160   3HG2  ILE  22          3HG2      ILE  22   0.130  -2.639  -2.953
  161   1HD1  ILE  22          1HD1      ILE  22   2.299  -1.551  -2.791
  162   2HD1  ILE  22          2HD1      ILE  22   2.194  -3.328  -2.706
  163   3HD1  ILE  22          3HD1      ILE  22   3.727  -2.551  -3.154
  164    H    ASP  23           H        ASP  23  -1.779  -4.180  -6.380
  165    HA   ASP  23           HA       ASP  23  -3.715  -2.149  -7.613
  166   1HB   ASP  23          1HB       ASP  23  -4.953  -4.146  -8.543
  167   2HB   ASP  23          2HB       ASP  23  -3.311  -4.000  -9.154
  168    H    ILE  24           H        ILE  24  -6.083  -2.788  -7.095
  169    HA   ILE  24           HA       ILE  24  -6.522  -2.237  -4.173
  170    HB   ILE  24           HB       ILE  24  -8.031  -1.632  -6.365
  171   1HG1  ILE  24          1HG1      ILE  24  -8.658  -1.672  -3.405
  172   2HG1  ILE  24          2HG1      ILE  24  -8.627  -0.335  -4.522
  173   1HG2  ILE  24          1HG2      ILE  24  -8.841  -4.005  -6.757
  174   2HG2  ILE  24          2HG2      ILE  24  -9.518  -4.058  -5.117
  175   3HG2  ILE  24          3HG2      ILE  24 -10.189  -2.959  -6.348
  176   1HD1  ILE  24          1HD1      ILE  24 -10.840  -1.071  -5.544
  177   2HD1  ILE  24          2HD1      ILE  24 -10.972  -2.303  -4.266
  178   3HD1  ILE  24          3HD1      ILE  24 -10.937  -0.581  -3.832
  179    H    GLU  25           H        GLU  25  -6.339  -5.070  -6.189
  180    HA   GLU  25           HA       GLU  25  -7.733  -6.932  -4.294
  181   1HB   GLU  25          1HB       GLU  25  -7.187  -6.995  -7.019
  182   2HB   GLU  25          2HB       GLU  25  -6.051  -8.163  -6.418
  183   1HG   GLU  25          1HG       GLU  25  -7.872  -9.589  -6.828
  184   2HG   GLU  25          2HG       GLU  25  -8.245  -9.204  -5.158
  185    H    GLU  26           H        GLU  26  -4.395  -6.057  -4.953
  186    HA   GLU  26           HA       GLU  26  -3.180  -8.071  -3.090
  187   1HB   GLU  26          1HB       GLU  26  -1.996  -5.690  -4.572
  188   2HB   GLU  26          2HB       GLU  26  -1.067  -6.604  -3.423
  189   1HG   GLU  26          1HG       GLU  26  -1.227  -8.673  -4.838
  190   2HG   GLU  26          2HG       GLU  26  -2.357  -7.898  -5.934
  191    H    LEU  27           H        LEU  27  -4.392  -4.819  -2.781
  192    HA   LEU  27           HA       LEU  27  -2.858  -3.942  -0.467
  193   1HB   LEU  27          1HB       LEU  27  -3.995  -2.431  -2.061
  194   2HB   LEU  27          2HB       LEU  27  -5.569  -2.966  -1.529
  195    HG   LEU  27           HG       LEU  27  -4.923  -0.699  -0.632
  196   1HD1  LEU  27          1HD1      LEU  27  -6.649  -2.085   0.522
  197   2HD1  LEU  27          2HD1      LEU  27  -5.403  -2.837   1.559
  198   3HD1  LEU  27          3HD1      LEU  27  -5.755  -1.088   1.668
  199   1HD2  LEU  27          1HD2      LEU  27  -2.857  -2.244   1.107
  200   2HD2  LEU  27          2HD2      LEU  27  -2.474  -1.068  -0.186
  201   3HD2  LEU  27          3HD2      LEU  27  -3.309  -0.525   1.274
  202    H    GLY  28           H        GLY  28  -6.364  -4.647  -0.333
  203   1HA   GLY  28          1HA       GLY  28  -7.078  -5.337   2.287
  204   2HA   GLY  28          2HA       GLY  28  -7.431  -6.432   0.946
  205    H    GLU  29           H        GLU  29  -5.613  -8.034   0.387
  206    HA   GLU  29           HA       GLU  29  -5.537  -9.696   2.857
  207   1HB   GLU  29          1HB       GLU  29  -4.854 -11.524   1.493
  208   2HB   GLU  29          2HB       GLU  29  -6.159 -10.683   0.715
  209   1HG   GLU  29          1HG       GLU  29  -4.752  -9.893  -1.102
  210   2HG   GLU  29          2HG       GLU  29  -3.266 -10.108  -0.194
  211    H    ILE  30           H        ILE  30  -3.265  -7.598   1.374
  212    HA   ILE  30           HA       ILE  30  -0.766  -8.464   2.781
  213    HB   ILE  30           HB       ILE  30  -1.660  -5.843   1.515
  214   1HG1  ILE  30          1HG1      ILE  30   0.593  -7.853   0.903
  215   2HG1  ILE  30          2HG1      ILE  30  -0.721  -7.361  -0.132
  216   1HG2  ILE  30          1HG2      ILE  30  -0.424  -5.147   3.598
  217   2HG2  ILE  30          2HG2      ILE  30   0.955  -6.184   3.151
  218   3HG2  ILE  30          3HG2      ILE  30   0.522  -4.759   2.165
  219   1HD1  ILE  30          1HD1      ILE  30   1.611  -5.457   0.573
  220   2HD1  ILE  30          2HD1      ILE  30   1.363  -6.349  -0.943
  221   3HD1  ILE  30          3HD1      ILE  30   0.213  -5.083  -0.468
  222    H    LEU  31           H        LEU  31  -3.174  -5.918   3.510
  223    HA   LEU  31           HA       LEU  31  -2.457  -5.509   6.390
  224   1HB   LEU  31          1HB       LEU  31  -5.280  -5.077   5.421
  225   2HB   LEU  31          2HB       LEU  31  -4.350  -4.133   6.561
  226    HG   LEU  31           HG       LEU  31  -3.407  -4.042   3.677
  227   1HD1  LEU  31          1HD1      LEU  31  -6.001  -2.674   4.661
  228   2HD1  LEU  31          2HD1      LEU  31  -5.139  -2.288   3.147
  229   3HD1  LEU  31          3HD1      LEU  31  -5.835  -3.896   3.370
  230   1HD2  LEU  31          1HD2      LEU  31  -3.699  -1.917   5.919
  231   2HD2  LEU  31          2HD2      LEU  31  -2.182  -2.658   5.340
  232   3HD2  LEU  31          3HD2      LEU  31  -3.096  -1.586   4.274
  233    H    ARG  32           H        ARG  32  -5.357  -7.124   5.058
  234    HA   ARG  32           HA       ARG  32  -6.372  -8.151   7.470
  235   1HB   ARG  32          1HB       ARG  32  -6.684  -8.586   4.556
  236   2HB   ARG  32          2HB       ARG  32  -7.128 -10.038   5.450
  237   1HG   ARG  32          1HG       ARG  32  -8.251  -7.497   6.626
  238   2HG   ARG  32          2HG       ARG  32  -8.721  -7.756   4.936
  239   1HD   ARG  32          1HD       ARG  32  -8.923 -10.172   6.799
  240   2HD   ARG  32          2HD       ARG  32 -10.109  -8.871   7.050
  241    HE   ARG  32           HE       ARG  32 -10.170  -9.199   4.237
  242   1HH1  ARG  32          2HH1      ARG  32 -10.496 -11.519   6.803
  243   2HH1  ARG  32          1HH1      ARG  32 -11.531 -12.620   5.776
  244   1HH2  ARG  32          1HH2      ARG  32 -11.311 -10.479   3.101
  245   2HH2  ARG  32          2HH2      ARG  32 -11.936 -12.053   3.777
  246    H    ALA  33           H        ALA  33  -4.198  -9.991   5.303
  247    HA   ALA  33           HA       ALA  33  -4.611 -12.556   6.431
  248   1HB   ALA  33          1HB       ALA  33  -3.617 -12.101   4.194
  249   2HB   ALA  33          2HB       ALA  33  -2.104 -11.526   4.945
  250   3HB   ALA  33          3HB       ALA  33  -2.596 -13.226   5.105
  251    H    THR  34           H        THR  34  -2.253 -10.211   7.750
  252    HA   THR  34           HA       THR  34  -2.221 -12.047  10.197
  253    HB   THR  34           HB       THR  34  -0.054 -11.354  10.774
  254    HG1  THR  34           HG1      THR  34  -0.135  -9.302   8.817
  255   1HG2  THR  34          2HG2      THR  34  -0.102 -12.698   8.573
  256   2HG2  THR  34          3HG2      THR  34   0.015 -11.159   7.680
  257   3HG2  THR  34          1HG2      THR  34   1.345 -11.668   8.734
  258    H    GLY  35           H        GLY  35  -3.457 -11.349  11.837
  259   1HA   GLY  35          1HA       GLY  35  -3.921  -8.544  12.611
  260   2HA   GLY  35          2HA       GLY  35  -5.315  -9.093  11.675
  261   1HN   NH2  36          1HN       NH2  36  -6.591 -11.020  12.486
  262   2HN   NH2  36          2HN       NH2  36  -6.710 -11.235  14.253
  263   1H    ACE  37          1HH3      ACE  37 -11.010  -8.855  13.303
  264   2H    ACE  37          2HH3      ACE  37  -9.318  -8.538  12.786
  265   3H    ACE  37          3HH3      ACE  37 -10.008  -7.666  14.179
  266    H    VAL  38           H        VAL  38 -10.979  -8.258  10.761
  267    HA   VAL  38           HA       VAL  38 -11.562  -5.330  10.261
  268    HB   VAL  38           HB       VAL  38  -9.675  -4.624   9.249
  269   1HG1  VAL  38          1HG1      VAL  38  -8.448  -6.976  10.867
  270   2HG1  VAL  38          2HG1      VAL  38  -7.507  -5.617  10.210
  271   3HG1  VAL  38          3HG1      VAL  38  -8.731  -5.325  11.449
  272   1HG2  VAL  38          1HG2      VAL  38  -9.727  -6.250   7.307
  273   2HG2  VAL  38          2HG2      VAL  38  -8.062  -6.011   7.882
  274   3HG2  VAL  38          3HG2      VAL  38  -8.952  -7.490   8.317
  275    H    THR  39           H        THR  39 -12.309  -5.007   8.008
  276    HA   THR  39           HA       THR  39 -13.446  -7.477   6.704
  277    HB   THR  39           HB       THR  39 -15.124  -5.695   8.472
  278    HG1  THR  39           HG1      THR  39 -14.663  -8.070   8.610
  279   1HG2  THR  39          2HG2      THR  39 -16.183  -6.832   5.790
  280   2HG2  THR  39          3HG2      THR  39 -17.192  -6.138   7.082
  281   3HG2  THR  39          1HG2      THR  39 -16.038  -5.109   6.208
  282    H    GLU  40           H        GLU  40 -14.821  -6.720   4.683
  283    HA   GLU  40           HA       GLU  40 -12.523  -5.586   3.171
  284   1HB   GLU  40          1HB       GLU  40 -15.197  -6.698   2.219
  285   2HB   GLU  40          2HB       GLU  40 -13.981  -6.103   1.129
  286   1HG   GLU  40          1HG       GLU  40 -12.371  -7.929   2.296
  287   2HG   GLU  40          2HG       GLU  40 -13.866  -8.635   2.884
  288    H    GLU  41           H        GLU  41 -15.714  -4.331   4.002
  289    HA   GLU  41           HA       GLU  41 -15.670  -1.966   2.365
  290   1HB   GLU  41          1HB       GLU  41 -17.097  -2.218   5.049
  291   2HB   GLU  41          2HB       GLU  41 -17.468  -1.076   3.793
  292   1HG   GLU  41          1HG       GLU  41 -19.040  -2.567   3.015
  293   2HG   GLU  41          2HG       GLU  41 -17.743  -3.612   2.465
  294    H    ASP  42           H        ASP  42 -14.495  -2.203   5.731
  295    HA   ASP  42           HA       ASP  42 -13.537   0.539   5.927
  296   1HB   ASP  42          1HB       ASP  42 -12.919  -2.030   7.496
  297   2HB   ASP  42          2HB       ASP  42 -12.137  -0.512   7.913
  298    H    ILE  43           H        ILE  43 -11.679  -2.379   4.969
  299    HA   ILE  43           HA       ILE  43  -9.261  -1.057   4.067
  300    HB   ILE  43           HB       ILE  43 -10.680  -3.531   2.998
  301   1HG1  ILE  43          1HG1      ILE  43  -7.928  -4.083   3.712
  302   2HG1  ILE  43          2HG1      ILE  43  -8.541  -3.055   4.980
  303   1HG2  ILE  43          1HG2      ILE  43  -9.574  -2.524   0.963
  304   2HG2  ILE  43          2HG2      ILE  43  -8.035  -2.385   1.835
  305   3HG2  ILE  43          3HG2      ILE  43  -8.718  -3.982   1.442
  306   1HD1  ILE  43          1HD1      ILE  43 -10.506  -4.597   5.388
  307   2HD1  ILE  43          2HD1      ILE  43  -9.825  -5.745   4.205
  308   3HD1  ILE  43          3HD1      ILE  43  -8.921  -5.347   5.682
  309    H    GLU  44           H        GLU  44 -12.378  -1.329   2.354
  310    HA   GLU  44           HA       GLU  44 -11.406  -0.001  -0.153
  311   1HB   GLU  44          1HB       GLU  44 -13.908  -1.325   0.735
  312   2HB   GLU  44          2HB       GLU  44 -14.195   0.045  -0.294
  313   1HG   GLU  44          1HG       GLU  44 -12.088  -1.671  -1.506
  314   2HG   GLU  44          2HG       GLU  44 -13.494  -2.639  -1.105
  315    H    ASP  45           H        ASP  45 -13.028   1.054   2.767
  316    HA   ASP  45           HA       ASP  45 -13.632   3.862   1.891
  317   1HB   ASP  45          1HB       ASP  45 -13.666   2.362   4.563
  318   2HB   ASP  45          2HB       ASP  45 -13.786   4.116   4.546
  319    H    LEU  46           H        LEU  46 -10.983   2.283   3.653
  320    HA   LEU  46           HA       LEU  46  -9.179   4.604   4.022
  321   1HB   LEU  46          1HB       LEU  46  -8.901   2.379   5.099
  322   2HB   LEU  46          2HB       LEU  46  -8.532   1.630   3.564
  323    HG   LEU  46           HG       LEU  46  -6.448   3.219   3.416
  324   1HD1  LEU  46          1HD1      LEU  46  -7.494   3.899   6.176
  325   2HD1  LEU  46          2HD1      LEU  46  -5.721   3.792   5.965
  326   3HD1  LEU  46          3HD1      LEU  46  -6.691   4.918   4.971
  327   1HD2  LEU  46          1HD2      LEU  46  -6.575   0.669   4.263
  328   2HD2  LEU  46          2HD2      LEU  46  -5.062   1.598   4.475
  329   3HD2  LEU  46          3HD2      LEU  46  -6.198   1.371   5.838
  330    H    MET  47           H        MET  47  -9.110   2.242   1.349
  331    HA   MET  47           HA       MET  47  -6.980   3.718  -0.053
  332   1HB   MET  47          1HB       MET  47  -6.999   1.303  -0.171
  333   2HB   MET  47          2HB       MET  47  -8.640   1.254  -0.792
  334   1HG   MET  47          1HG       MET  47  -7.075   0.786  -2.652
  335   2HG   MET  47          2HG       MET  47  -7.911   2.318  -2.962
  336   1HE   MET  47          1HE       MET  47  -5.156   1.022  -4.107
  337   2HE   MET  47          2HE       MET  47  -5.843   2.526  -4.787
  338   3HE   MET  47          3HE       MET  47  -4.126   2.484  -4.292
  339    H    LYS  48           H        LYS  48 -10.473   3.935  -0.350
  340    HA   LYS  48           HA       LYS  48 -10.352   5.717  -2.750
  341   1HB   LYS  48          1HB       LYS  48 -12.404   4.757  -0.767
  342   2HB   LYS  48          2HB       LYS  48 -12.804   6.266  -1.529
  343   1HG   LYS  48          1HG       LYS  48 -12.983   5.211  -3.744
  344   2HG   LYS  48          2HG       LYS  48 -11.934   3.903  -3.299
  345   1HD   LYS  48          1HD       LYS  48 -13.563   2.563  -2.479
  346   2HD   LYS  48          2HD       LYS  48 -14.365   3.798  -1.567
  347   1HE   LYS  48          1HE       LYS  48 -15.945   2.946  -3.280
  348   2HE   LYS  48          2HE       LYS  48 -15.527   4.587  -3.739
  349   1HZ   LYS  48          1HZ       LYS  48 -13.567   3.313  -5.131
  350   2HZ   LYS  48          2HZ       LYS  48 -14.709   2.114  -5.171
  351   3HZ   LYS  48          3HZ       LYS  48 -14.994   3.614  -5.749
  352    H    ASP  49           H        ASP  49 -10.244   6.200   0.750
  353    HA   ASP  49           HA       ASP  49 -10.650   9.193   0.643
  354   1HB   ASP  49          1HB       ASP  49 -11.383   7.648   2.594
  355   2HB   ASP  49          2HB       ASP  49  -9.693   7.546   3.065
  356    H    SER  50           H        SER  50  -7.891   6.986   0.799
  357    HA   SER  50           HA       SER  50  -5.858   9.166   0.797
  358   1HB   SER  50          1HB       SER  50  -5.656   6.660   1.645
  359   2HB   SER  50          2HB       SER  50  -5.316   6.250  -0.034
  360    HG   SER  50           HG       SER  50  -3.556   6.908   1.588
  361    H    ASP  51           H        ASP  51  -7.157   6.999  -1.716
  362    HA   ASP  51           HA       ASP  51  -5.282   7.825  -3.804
  363   1HB   ASP  51          1HB       ASP  51  -6.477   5.562  -3.527
  364   2HB   ASP  51          2HB       ASP  51  -7.936   6.295  -4.180
  365    H    LYS  52           H        LYS  52  -5.501  10.185  -3.863
  366    HA   LYS  52           HA       LYS  52  -8.233  11.453  -4.148
  367   1HB   LYS  52          1HB       LYS  52  -7.011  12.707  -2.695
  368   2HB   LYS  52          2HB       LYS  52  -5.457  12.327  -3.372
  369   1HG   LYS  52          1HG       LYS  52  -7.370  14.196  -4.939
  370   2HG   LYS  52          2HG       LYS  52  -6.613  14.805  -3.501
  371   1HD   LYS  52          1HD       LYS  52  -4.308  14.167  -4.424
  372   2HD   LYS  52          2HD       LYS  52  -5.018  13.765  -5.953
  373   1HE   LYS  52          1HE       LYS  52  -5.683  16.151  -6.356
  374   2HE   LYS  52          2HE       LYS  52  -5.413  16.568  -4.665
  375   1HZ   LYS  52          1HZ       LYS  52  -2.934  16.091  -4.978
  376   2HZ   LYS  52          2HZ       LYS  52  -3.175  15.771  -6.586
  377   3HZ   LYS  52          3HZ       LYS  52  -3.436  17.247  -5.939
  378    H    ASN  53           H        ASN  53  -5.295  10.980  -6.093
  379    HA   ASN  53           HA       ASN  53  -6.008  12.478  -8.429
  380   1HB   ASN  53          1HB       ASN  53  -4.204  11.219  -9.584
  381   2HB   ASN  53          2HB       ASN  53  -3.718  11.593  -7.955
  382   1HD2  ASN  53          1HD2      ASN  53  -3.517   7.811  -9.093
  383   2HD2  ASN  53          2HD2      ASN  53  -3.724   9.222 -10.225
  384    H    ASN  54           H        ASN  54  -7.482   9.554  -7.438
  385    HA   ASN  54           HA       ASN  54  -8.841   7.864  -8.516
  386   1HB   ASN  54          1HB       ASN  54  -9.606  10.561  -9.806
  387   2HB   ASN  54          2HB       ASN  54 -10.443   9.102 -10.258
  388   1HD2  ASN  54          1HD2      ASN  54 -11.941  10.935  -7.205
  389   2HD2  ASN  54          2HD2      ASN  54 -11.112  11.630  -8.668
  390    H    ASP  55           H        ASP  55  -6.783   6.899  -9.458
  391    HA   ASP  55           HA       ASP  55  -7.516   6.316 -12.377
  392   1HB   ASP  55          1HB       ASP  55  -4.916   7.118 -11.184
  393   2HB   ASP  55          2HB       ASP  55  -4.766   5.613 -12.080
  394    H    GLY  56           H        GLY  56  -7.049   5.021  -9.235
  395   1HA   GLY  56          1HA       GLY  56  -7.948   2.911  -8.427
  396   2HA   GLY  56          2HA       GLY  56  -8.218   2.434 -10.108
  397    H    ARG  57           H        ARG  57  -4.944   3.216  -9.768
  398    HA   ARG  57           HA       ARG  57  -4.048   0.747  -8.239
  399   1HB   ARG  57          1HB       ARG  57  -2.632   0.029 -10.258
  400   2HB   ARG  57          2HB       ARG  57  -4.367  -0.269 -10.354
  401   1HG   ARG  57          1HG       ARG  57  -4.235   2.260 -11.544
  402   2HG   ARG  57          2HG       ARG  57  -2.631   1.654 -11.951
  403   1HD   ARG  57          1HD       ARG  57  -5.328   0.269 -12.623
  404   2HD   ARG  57          2HD       ARG  57  -4.280   1.128 -13.751
  405    HE   ARG  57           HE       ARG  57  -2.740  -0.987 -12.274
  406   1HH1  ARG  57          2HH1      ARG  57  -4.657  -0.465 -15.114
  407   2HH1  ARG  57          1HH1      ARG  57  -3.742  -1.773 -16.031
  408   1HH2  ARG  57          1HH2      ARG  57  -1.924  -2.531 -13.228
  409   2HH2  ARG  57          2HH2      ARG  57  -2.334  -2.966 -14.960
  410    H    ILE  58           H        ILE  58  -1.894   0.667  -7.662
  411    HA   ILE  58           HA       ILE  58  -0.729   3.447  -7.253
  412    HB   ILE  58           HB       ILE  58  -0.703   0.945  -5.495
  413   1HG1  ILE  58          1HG1      ILE  58  -1.936   3.751  -5.064
  414   2HG1  ILE  58          2HG1      ILE  58  -2.818   2.288  -5.403
  415   1HG2  ILE  58          1HG2      ILE  58   1.548   2.075  -5.228
  416   2HG2  ILE  58          2HG2      ILE  58   0.750   3.621  -4.877
  417   3HG2  ILE  58          3HG2      ILE  58   0.593   2.246  -3.759
  418   1HD1  ILE  58          1HD1      ILE  58  -2.068   1.235  -3.222
  419   2HD1  ILE  58          2HD1      ILE  58  -1.271   2.768  -2.786
  420   3HD1  ILE  58          3HD1      ILE  58  -3.032   2.719  -3.018
  421    H    ASP  59           H        ASP  59   1.226   3.984  -7.964
  422    HA   ASP  59           HA       ASP  59   3.376   1.835  -8.349
  423   1HB   ASP  59          1HB       ASP  59   4.330   3.257 -10.127
  424   2HB   ASP  59          2HB       ASP  59   2.628   2.959 -10.449
  425    H    PHE  60           H        PHE  60   5.715   3.183  -8.353
  426    HA   PHE  60           HA       PHE  60   6.159   2.643  -5.504
  427   1HB   PHE  60          1HB       PHE  60   7.770   2.372  -7.584
  428   2HB   PHE  60          2HB       PHE  60   8.206   4.028  -7.324
  429    HD1  PHE  60           HD1      PHE  60   8.144   3.959  -4.160
  430    HD2  PHE  60           HD2      PHE  60   9.934   1.403  -7.112
  431    HE1  PHE  60           HE1      PHE  60   9.929   3.353  -2.565
  432    HE2  PHE  60           HE2      PHE  60  11.656   0.739  -5.492
  433    HZ   PHE  60           HZ       PHE  60  11.654   1.695  -3.210
  434    H    ASP  61           H        ASP  61   5.926   5.730  -7.230
  435    HA   ASP  61           HA       ASP  61   6.440   7.696  -5.152
  436   1HB   ASP  61          1HB       ASP  61   3.983   7.879  -7.078
  437   2HB   ASP  61          2HB       ASP  61   5.194   9.055  -6.622
  438    H    GLU  62           H        GLU  62   3.210   6.570  -5.975
  439    HA   GLU  62           HA       GLU  62   1.770   7.237  -3.530
  440   1HB   GLU  62          1HB       GLU  62   1.078   4.830  -5.255
  441   2HB   GLU  62          2HB       GLU  62   0.008   5.761  -4.251
  442   1HG   GLU  62          1HG       GLU  62   0.798   7.779  -5.997
  443   2HG   GLU  62          2HG       GLU  62   1.049   6.397  -7.047
  444    H    PHE  63           H        PHE  63   3.993   4.495  -3.952
  445    HA   PHE  63           HA       PHE  63   3.220   2.948  -1.507
  446   1HB   PHE  63          1HB       PHE  63   4.676   2.121  -3.451
  447   2HB   PHE  63          2HB       PHE  63   5.945   3.174  -2.922
  448    HD1  PHE  63           HD1      PHE  63   3.937   1.216  -0.379
  449    HD2  PHE  63           HD2      PHE  63   7.536   1.340  -2.735
  450    HE1  PHE  63           HE1      PHE  63   5.036  -0.345   1.185
  451    HE2  PHE  63           HE2      PHE  63   8.595  -0.237  -1.191
  452    HZ   PHE  63           HZ       PHE  63   7.403  -0.978   0.842
  453    H    LEU  64           H        LEU  64   5.781   5.362  -2.130
  454    HA   LEU  64           HA       LEU  64   6.863   5.631   0.538
  455   1HB   LEU  64          1HB       LEU  64   6.676   7.669  -1.739
  456   2HB   LEU  64          2HB       LEU  64   7.522   8.029  -0.255
  457    HG   LEU  64           HG       LEU  64   8.268   5.599  -1.985
  458   1HD1  LEU  64          1HD1      LEU  64   9.330   8.500  -2.196
  459   2HD1  LEU  64          2HD1      LEU  64  10.096   7.076  -2.952
  460   3HD1  LEU  64          3HD1      LEU  64   8.465   7.550  -3.435
  461   1HD2  LEU  64          1HD2      LEU  64   9.843   7.177   0.179
  462   2HD2  LEU  64          2HD2      LEU  64   9.258   5.492   0.294
  463   3HD2  LEU  64          3HD2      LEU  64  10.535   5.905  -0.858
  464    H    LYS  65           H        LYS  65   3.978   7.230  -0.777
  465    HA   LYS  65           HA       LYS  65   3.314   8.603   1.813
  466   1HB   LYS  65          1HB       LYS  65   2.323   8.309  -1.020
  467   2HB   LYS  65          2HB       LYS  65   1.088   8.768   0.137
  468   1HG   LYS  65          1HG       LYS  65   3.710  10.374   0.043
  469   2HG   LYS  65          2HG       LYS  65   2.571  10.534  -1.307
  470   1HD   LYS  65          1HD       LYS  65   1.422  10.647   1.495
  471   2HD   LYS  65          2HD       LYS  65   2.348  12.063   0.987
  472   1HE   LYS  65          1HE       LYS  65  -0.243  12.153   0.679
  473   2HE   LYS  65          2HE       LYS  65   0.714  12.581  -0.751
  474   1HZ   LYS  65          1HZ       LYS  65   0.496  10.046  -1.419
  475   2HZ   LYS  65          2HZ       LYS  65  -0.613   9.901  -0.233
  476   3HZ   LYS  65          3HZ       LYS  65  -0.927  10.877  -1.472
  477    H    MET  66           H        MET  66   1.749   5.866   0.020
  478    HA   MET  66           HA       MET  66   0.018   4.729   1.802
  479   1HB   MET  66          1HB       MET  66   0.372   3.473  -0.156
  480   2HB   MET  66          2HB       MET  66   2.112   3.442   0.030
  481   1HG   MET  66          1HG       MET  66   2.078   1.390   1.001
  482   2HG   MET  66          2HG       MET  66   0.983   1.937   2.286
  483   1HE   MET  66          1HE       MET  66   1.013  -0.981   1.138
  484   2HE   MET  66          2HE       MET  66  -0.020  -1.315  -0.284
  485   3HE   MET  66          3HE       MET  66   1.517  -0.421  -0.486
  486    H    MET  67           H        MET  67   3.467   3.773   2.126
  487    HA   MET  67           HA       MET  67   3.356   2.885   4.970
  488   1HB   MET  67          1HB       MET  67   5.240   2.125   3.627
  489   2HB   MET  67          2HB       MET  67   5.633   3.751   3.106
  490   1HG   MET  67          1HG       MET  67   6.069   4.224   5.726
  491   2HG   MET  67          2HG       MET  67   6.266   2.462   5.799
  492   1HE   MET  67          1HE       MET  67   7.181   1.365   3.559
  493   2HE   MET  67          2HE       MET  67   7.600   2.487   2.230
  494   3HE   MET  67          3HE       MET  67   8.899   1.662   3.150
  495    H    GLU  68           H        GLU  68   5.154   5.795   3.806
  496    HA   GLU  68           HA       GLU  68   5.216   6.713   6.669
  497   1HB   GLU  68          1HB       GLU  68   6.904   7.109   4.271
  498   2HB   GLU  68          2HB       GLU  68   6.737   8.561   5.210
  499   1HG   GLU  68          1HG       GLU  68   7.624   7.312   7.278
  500   2HG   GLU  68          2HG       GLU  68   7.817   5.864   6.307
  501    H    GLY  69           H        GLY  69   2.978   7.220   4.390
  502   1HA   GLY  69          1HA       GLY  69   1.316   9.212   4.235
  503   2HA   GLY  69          2HA       GLY  69   1.008   8.202   5.657
  504    H    VAL  70           H        VAL  70   1.715  11.322   4.555
  505    HA   VAL  70           HA       VAL  70   1.972  12.397   7.425
  506    HB   VAL  70           HB       VAL  70   3.948  12.686   5.767
  507   1HG1  VAL  70          1HG1      VAL  70   2.105  14.914   4.638
  508   2HG1  VAL  70          2HG1      VAL  70   3.852  14.771   4.313
  509   3HG1  VAL  70          3HG1      VAL  70   2.747  13.521   3.734
  510   1HG2  VAL  70          1HG2      VAL  70   3.801  13.964   7.943
  511   2HG2  VAL  70          2HG2      VAL  70   4.539  14.943   6.686
  512   3HG2  VAL  70          3HG2      VAL  70   2.840  15.238   7.161
  513    H    GLN  71           H        GLN  71  -0.549  11.735   6.298
  514    HA   GLN  71           HA       GLN  71  -1.851  14.018   4.856
  515   1HB   GLN  71          1HB       GLN  71  -2.393  11.542   4.556
  516   2HB   GLN  71          2HB       GLN  71  -3.170  11.562   6.138
  517   1HG   GLN  71          1HG       GLN  71  -4.777  13.356   5.307
  518   2HG   GLN  71          2HG       GLN  71  -4.003  13.365   3.734
  519   1HE2  GLN  71          1HE2      GLN  71  -6.706  10.457   4.616
  520   2HE2  GLN  71          2HE2      GLN  71  -5.984  11.527   5.941
  521   1HN   NH2  72          1HN       NH2  72  -3.205  12.511   7.897
  522   2HN   NH2  72          2HN       NH2  72  -3.377  14.043   8.795
   
  No H/Q in entry =         522
  Start of MODEL   25
    1   1H    ACE   1          1HH3      ACE   1  21.742  10.578   1.374
    2   2H    ACE   1          2HH3      ACE   1  21.461  11.313  -0.244
    3   3H    ACE   1          3HH3      ACE   1  21.420  12.321   1.230
    4    H    LYS   2           H        LYS   2  19.639   9.655  -0.400
    5    HA   LYS   2           HA       LYS   2  17.719   9.321   1.876
    6   1HB   LYS   2          1HB       LYS   2  16.519  11.147   1.232
    7   2HB   LYS   2          2HB       LYS   2  17.040  11.132  -0.439
    8   1HG   LYS   2          1HG       LYS   2  15.323   9.327  -0.960
    9   2HG   LYS   2          2HG       LYS   2  15.008   9.087   0.740
   10   1HD   LYS   2          1HD       LYS   2  13.148  10.393  -0.009
   11   2HD   LYS   2          2HD       LYS   2  14.157  11.582   0.818
   12   1HE   LYS   2          1HE       LYS   2  13.303  12.384  -1.437
   13   2HE   LYS   2          2HE       LYS   2  15.068  12.477  -1.304
   14   1HZ   LYS   2          1HZ       LYS   2  13.994   9.893  -2.444
   15   2HZ   LYS   2          2HZ       LYS   2  13.795  11.218  -3.350
   16   3HZ   LYS   2          3HZ       LYS   2  15.264  10.814  -2.992
   17    H    SER   3           H        SER   3  17.025   7.263   1.881
   18    HA   SER   3           HA       SER   3  18.326   5.449  -0.174
   19   1HB   SER   3          1HB       SER   3  18.295   5.466   2.562
   20   2HB   SER   3          2HB       SER   3  16.987   4.336   2.305
   21    HG   SER   3           HG       SER   3  18.359   3.067   0.995
   22    H    GLU   4           H        GLU   4  17.281   3.973  -1.479
   23    HA   GLU   4           HA       GLU   4  14.281   4.126  -1.691
   24   1HB   GLU   4          1HB       GLU   4  14.195   4.760  -4.066
   25   2HB   GLU   4          2HB       GLU   4  14.608   6.000  -2.906
   26   1HG   GLU   4          1HG       GLU   4  16.742   6.401  -3.881
   27   2HG   GLU   4          2HG       GLU   4  16.949   4.739  -4.421
   28    H    GLU   5           H        GLU   5  17.243   2.715  -3.039
   29    HA   GLU   5           HA       GLU   5  16.119   0.413  -4.268
   30   1HB   GLU   5          1HB       GLU   5  18.711  -0.197  -3.164
   31   2HB   GLU   5          2HB       GLU   5  18.221   0.208  -4.873
   32   1HG   GLU   5          1HG       GLU   5  18.754   2.608  -4.425
   33   2HG   GLU   5          2HG       GLU   5  19.189   2.242  -2.767
   34    H    GLU   6           H        GLU   6  16.395   0.889  -0.870
   35    HA   GLU   6           HA       GLU   6  16.057  -1.981  -0.052
   36   1HB   GLU   6          1HB       GLU   6  17.080   0.066   1.295
   37   2HB   GLU   6          2HB       GLU   6  15.436   0.338   1.791
   38   1HG   GLU   6          1HG       GLU   6  15.390  -2.102   2.722
   39   2HG   GLU   6          2HG       GLU   6  17.101  -2.218   2.353
   40    H    LEU   7           H        LEU   7  13.845   0.821   0.151
   41    HA   LEU   7           HA       LEU   7  11.283  -0.706   0.351
   42   1HB   LEU   7          1HB       LEU   7  11.871   2.138  -0.639
   43   2HB   LEU   7          2HB       LEU   7  10.260   1.486  -0.461
   44    HG   LEU   7           HG       LEU   7  11.043   1.049   2.096
   45   1HD1  LEU   7          1HD1      LEU   7  13.394   1.786   1.751
   46   2HD1  LEU   7          2HD1      LEU   7  12.855   3.398   1.213
   47   3HD1  LEU   7          3HD1      LEU   7  12.574   2.864   2.891
   48   1HD2  LEU   7          1HD2      LEU   7  10.201   3.832   0.992
   49   2HD2  LEU   7          2HD2      LEU   7   9.114   2.519   1.522
   50   3HD2  LEU   7          3HD2      LEU   7  10.131   3.343   2.706
   51    H    ALA   8           H        ALA   8  13.292   0.330  -2.426
   52    HA   ALA   8           HA       ALA   8  11.827  -0.736  -4.589
   53   1HB   ALA   8          1HB       ALA   8  14.860  -0.984  -4.024
   54   2HB   ALA   8          2HB       ALA   8  14.097  -1.193  -5.613
   55   3HB   ALA   8          3HB       ALA   8  14.025   0.379  -4.806
   56    H    ASN   9           H        ASN   9  14.399  -2.933  -3.403
   57    HA   ASN   9           HA       ASN   9  13.292  -5.440  -3.910
   58   1HB   ASN   9          1HB       ASN   9  14.895  -4.635  -1.384
   59   2HB   ASN   9          2HB       ASN   9  14.605  -6.288  -1.851
   60   1HD2  ASN   9          1HD2      ASN   9  16.739  -5.183  -4.934
   61   2HD2  ASN   9          2HD2      ASN   9  14.925  -5.087  -4.810
   62    H    ALA  10           H        ALA  10  12.470  -3.573  -0.986
   63    HA   ALA  10           HA       ALA  10  10.619  -5.483   0.276
   64   1HB   ALA  10          1HB       ALA  10  11.722  -3.550   1.421
   65   2HB   ALA  10          2HB       ALA  10  10.747  -2.394   0.478
   66   3HB   ALA  10          3HB       ALA  10   9.962  -3.491   1.635
   67    H    PHE  11           H        PHE  11   9.845  -2.674  -1.834
   68    HA   PHE  11           HA       PHE  11   7.003  -3.168  -2.134
   69   1HB   PHE  11          1HB       PHE  11   8.145  -1.031  -2.679
   70   2HB   PHE  11          2HB       PHE  11   8.976  -1.762  -4.009
   71    HD1  PHE  11           HD1      PHE  11   5.391  -1.061  -2.927
   72    HD2  PHE  11           HD2      PHE  11   8.140  -1.557  -6.200
   73    HE1  PHE  11           HE1      PHE  11   3.621  -0.439  -4.525
   74    HE2  PHE  11           HE2      PHE  11   6.368  -0.900  -7.775
   75    HZ   PHE  11           HZ       PHE  11   4.118  -0.332  -6.948
   76    H    ARG  12           H        ARG  12   9.657  -4.428  -4.188
   77    HA   ARG  12           HA       ARG  12   8.051  -6.277  -5.732
   78   1HB   ARG  12          1HB       ARG  12  10.970  -6.351  -4.823
   79   2HB   ARG  12          2HB       ARG  12  10.294  -7.700  -5.728
   80   1HG   ARG  12          1HG       ARG  12   9.515  -5.877  -7.496
   81   2HG   ARG  12          2HG       ARG  12  10.591  -4.759  -6.648
   82   1HD   ARG  12          1HD       ARG  12  12.096  -5.556  -8.257
   83   2HD   ARG  12          2HD       ARG  12  12.411  -6.748  -6.967
   84    HE   ARG  12           HE       ARG  12  10.592  -7.253  -9.388
   85   1HH1  ARG  12          2HH1      ARG  12  12.421  -8.537  -6.739
   86   2HH1  ARG  12          1HH1      ARG  12  12.198 -10.259  -7.314
   87   1HH2  ARG  12          1HH2      ARG  12  10.355  -9.182 -10.014
   88   2HH2  ARG  12          2HH2      ARG  12  11.074 -10.589  -9.102
   89    H    ILE  13           H        ILE  13   9.198  -6.613  -2.399
   90    HA   ILE  13           HA       ILE  13   8.653  -9.538  -2.133
   91    HB   ILE  13           HB       ILE  13   9.393  -7.346  -0.149
   92   1HG1  ILE  13          1HG1      ILE  13  11.437  -8.084  -1.055
   93   2HG1  ILE  13          2HG1      ILE  13  11.305  -9.094   0.359
   94   1HG2  ILE  13          1HG2      ILE  13   7.782  -8.822   1.118
   95   2HG2  ILE  13          2HG2      ILE  13   8.699 -10.271   0.644
   96   3HG2  ILE  13          3HG2      ILE  13   9.408  -9.061   1.730
   97   1HD1  ILE  13          1HD1      ILE  13  10.458 -11.043  -0.988
   98   2HD1  ILE  13          2HD1      ILE  13  10.636 -10.084  -2.477
   99   3HD1  ILE  13          3HD1      ILE  13  12.065 -10.488  -1.507
  100    H    PHE  14           H        PHE  14   6.848  -6.585  -1.535
  101    HA   PHE  14           HA       PHE  14   4.519  -7.706  -0.010
  102   1HB   PHE  14          1HB       PHE  14   4.996  -5.153  -1.662
  103   2HB   PHE  14          2HB       PHE  14   3.392  -5.572  -1.156
  104    HD1  PHE  14           HD1      PHE  14   6.800  -5.350   0.501
  105    HD2  PHE  14           HD2      PHE  14   2.593  -4.534   0.795
  106    HE1  PHE  14           HE1      PHE  14   7.161  -4.243   2.671
  107    HE2  PHE  14           HE2      PHE  14   2.964  -3.409   2.953
  108    HZ   PHE  14           HZ       PHE  14   5.247  -3.227   3.880
  109    H    ASP  15           H        ASP  15   4.987  -6.816  -3.455
  110    HA   ASP  15           HA       ASP  15   2.419  -7.942  -4.303
  111   1HB   ASP  15          1HB       ASP  15   3.525  -5.931  -5.302
  112   2HB   ASP  15          2HB       ASP  15   4.814  -6.924  -5.964
  113    H    LYS  16           H        LYS  16   2.013  -9.598  -5.941
  114    HA   LYS  16           HA       LYS  16   3.124 -12.155  -4.836
  115   1HB   LYS  16          1HB       LYS  16   1.102 -11.873  -7.136
  116   2HB   LYS  16          2HB       LYS  16   1.447 -13.326  -6.241
  117   1HG   LYS  16          1HG       LYS  16   0.369 -10.866  -4.736
  118   2HG   LYS  16          2HG       LYS  16  -0.722 -11.735  -5.807
  119   1HD   LYS  16          1HD       LYS  16  -1.167 -13.189  -4.115
  120   2HD   LYS  16          2HD       LYS  16   0.464 -13.817  -4.345
  121   1HE   LYS  16          1HE       LYS  16   0.148 -11.420  -2.495
  122   2HE   LYS  16          2HE       LYS  16  -0.283 -13.031  -1.886
  123   1HZ   LYS  16          1HZ       LYS  16   2.083 -13.615  -3.140
  124   2HZ   LYS  16          2HZ       LYS  16   2.373 -12.039  -2.851
  125   3HZ   LYS  16          3HZ       LYS  16   2.115 -13.056  -1.586
  126    H    ASN  17           H        ASN  17   3.372 -10.234  -7.773
  127    HA   ASN  17           HA       ASN  17   5.212 -12.295  -9.082
  128   1HB   ASN  17          1HB       ASN  17   2.594 -11.109 -10.109
  129   2HB   ASN  17          2HB       ASN  17   3.782 -11.692 -11.244
  130   1HD2  ASN  17          1HD2      ASN  17   1.450 -14.370  -9.353
  131   2HD2  ASN  17          2HD2      ASN  17   1.717 -12.790  -8.546
  132    H    ALA  18           H        ALA  18   4.129  -8.884  -9.259
  133    HA   ALA  18           HA       ALA  18   5.637  -7.005  -8.995
  134   1HB   ALA  18          1HB       ALA  18   7.174  -8.708  -7.945
  135   2HB   ALA  18          2HB       ALA  18   7.808  -9.121  -9.554
  136   3HB   ALA  18          3HB       ALA  18   8.085  -7.500  -8.892
  137    H    ASP  19           H        ASP  19   4.338  -7.370 -11.453
  138    HA   ASP  19           HA       ASP  19   6.092  -6.208 -13.605
  139   1HB   ASP  19          1HB       ASP  19   3.846  -7.386 -14.005
  140   2HB   ASP  19          2HB       ASP  19   3.029  -6.007 -13.282
  141    H    GLY  20           H        GLY  20   4.508  -5.027 -10.736
  142   1HA   GLY  20          1HA       GLY  20   6.203  -3.405  -9.659
  143   2HA   GLY  20          2HA       GLY  20   6.048  -2.412 -11.115
  144    H    TYR  21           H        TYR  21   3.019  -3.597 -10.092
  145    HA   TYR  21           HA       TYR  21   2.394  -1.077  -8.439
  146   1HB   TYR  21          1HB       TYR  21   0.310  -2.736  -9.969
  147   2HB   TYR  21          2HB       TYR  21   0.124  -1.151  -9.278
  148    HD1  TYR  21           HD1      TYR  21   3.140  -2.017 -11.368
  149    HD2  TYR  21           HD2      TYR  21  -0.758  -0.197 -11.321
  150    HE1  TYR  21           HE1      TYR  21   3.587  -0.951 -13.555
  151    HE2  TYR  21           HE2      TYR  21  -0.288   0.843 -13.505
  152    HH   TYR  21           HH       TYR  21   1.188   0.370 -15.464
  153    H    ILE  22           H        ILE  22   0.754  -1.283  -6.743
  154    HA   ILE  22           HA       ILE  22   0.165  -4.121  -5.744
  155    HB   ILE  22           HB       ILE  22  -0.114  -1.464  -4.237
  156   1HG1  ILE  22          1HG1      ILE  22   2.058  -3.641  -4.091
  157   2HG1  ILE  22          2HG1      ILE  22   2.264  -1.929  -4.345
  158   1HG2  ILE  22          1HG2      ILE  22  -1.816  -3.158  -3.423
  159   2HG2  ILE  22          2HG2      ILE  22  -0.531  -4.352  -3.161
  160   3HG2  ILE  22          3HG2      ILE  22  -0.609  -2.865  -2.182
  161   1HD1  ILE  22          1HD1      ILE  22   1.482  -1.426  -1.973
  162   2HD1  ILE  22          2HD1      ILE  22   1.469  -3.180  -1.654
  163   3HD1  ILE  22          3HD1      ILE  22   2.990  -2.369  -2.080
  164    H    ASP  23           H        ASP  23  -2.014  -4.762  -5.291
  165    HA   ASP  23           HA       ASP  23  -4.238  -2.797  -6.034
  166   1HB   ASP  23          1HB       ASP  23  -5.613  -5.023  -6.248
  167   2HB   ASP  23          2HB       ASP  23  -4.427  -4.649  -7.491
  168    H    ILE  24           H        ILE  24  -6.254  -2.951  -4.842
  169    HA   ILE  24           HA       ILE  24  -5.901  -2.618  -1.877
  170    HB   ILE  24           HB       ILE  24  -7.702  -1.495  -3.486
  171   1HG1  ILE  24          1HG1      ILE  24  -9.157  -0.912  -1.570
  172   2HG1  ILE  24          2HG1      ILE  24  -8.650  -2.315  -0.669
  173   1HG2  ILE  24          1HG2      ILE  24  -8.900  -3.624  -4.176
  174   2HG2  ILE  24          2HG2      ILE  24  -9.312  -3.956  -2.482
  175   3HG2  ILE  24          3HG2      ILE  24 -10.001  -2.549  -3.331
  176   1HD1  ILE  24          1HD1      ILE  24  -6.269  -1.424  -0.523
  177   2HD1  ILE  24          2HD1      ILE  24  -6.839   0.097  -1.252
  178   3HD1  ILE  24          3HD1      ILE  24  -7.490  -0.429   0.314
  179    H    GLU  25           H        GLU  25  -6.685  -5.251  -4.019
  180    HA   GLU  25           HA       GLU  25  -7.891  -7.084  -1.976
  181   1HB   GLU  25          1HB       GLU  25  -8.264  -7.078  -4.554
  182   2HB   GLU  25          2HB       GLU  25  -6.770  -7.958  -4.671
  183   1HG   GLU  25          1HG       GLU  25  -9.149  -9.242  -4.563
  184   2HG   GLU  25          2HG       GLU  25  -7.719  -9.971  -3.854
  185    H    GLU  26           H        GLU  26  -4.655  -6.433  -3.151
  186    HA   GLU  26           HA       GLU  26  -3.329  -8.475  -1.396
  187   1HB   GLU  26          1HB       GLU  26  -2.243  -6.188  -3.078
  188   2HB   GLU  26          2HB       GLU  26  -1.214  -7.049  -1.975
  189   1HG   GLU  26          1HG       GLU  26  -1.838  -9.251  -3.266
  190   2HG   GLU  26          2HG       GLU  26  -2.646  -8.242  -4.451
  191    H    LEU  27           H        LEU  27  -4.567  -5.303  -0.922
  192    HA   LEU  27           HA       LEU  27  -2.564  -4.204   0.870
  193   1HB   LEU  27          1HB       LEU  27  -4.127  -2.855  -0.482
  194   2HB   LEU  27          2HB       LEU  27  -5.497  -3.397   0.452
  195    HG   LEU  27           HG       LEU  27  -3.267  -1.944   1.949
  196   1HD1  LEU  27          1HD1      LEU  27  -3.616  -0.566  -0.103
  197   2HD1  LEU  27          2HD1      LEU  27  -5.373  -0.483   0.208
  198   3HD1  LEU  27          3HD1      LEU  27  -4.204   0.264   1.335
  199   1HD2  LEU  27          1HD2      LEU  27  -6.363  -1.874   2.238
  200   2HD2  LEU  27          2HD2      LEU  27  -5.232  -2.806   3.263
  201   3HD2  LEU  27          3HD2      LEU  27  -5.181  -1.040   3.285
  202    H    GLY  28           H        GLY  28  -5.717  -5.626   1.767
  203   1HA   GLY  28          1HA       GLY  28  -5.447  -5.292   4.738
  204   2HA   GLY  28          2HA       GLY  28  -6.621  -6.326   3.914
  205    H    GLU  29           H        GLU  29  -4.710  -7.924   2.449
  206    HA   GLU  29           HA       GLU  29  -3.902  -9.882   4.496
  207   1HB   GLU  29          1HB       GLU  29  -4.658 -10.862   2.561
  208   2HB   GLU  29          2HB       GLU  29  -3.816  -9.782   1.491
  209   1HG   GLU  29          1HG       GLU  29  -1.916 -11.154   1.372
  210   2HG   GLU  29          2HG       GLU  29  -1.960 -11.584   3.072
  211    H    ILE  30           H        ILE  30  -2.033  -7.511   2.695
  212    HA   ILE  30           HA       ILE  30   0.679  -8.129   3.782
  213    HB   ILE  30           HB       ILE  30  -0.553  -5.539   2.721
  214   1HG1  ILE  30          1HG1      ILE  30   0.523  -5.893   0.687
  215   2HG1  ILE  30          2HG1      ILE  30   1.918  -6.644   1.411
  216   1HG2  ILE  30          1HG2      ILE  30   1.153  -4.896   4.462
  217   2HG2  ILE  30          2HG2      ILE  30   2.377  -5.921   3.669
  218   3HG2  ILE  30          3HG2      ILE  30   1.727  -4.472   2.853
  219   1HD1  ILE  30          1HD1      ILE  30  -0.721  -8.189   0.948
  220   2HD1  ILE  30          2HD1      ILE  30   0.770  -8.282  -0.013
  221   3HD1  ILE  30          3HD1      ILE  30   0.774  -8.834   1.674
  222    H    LEU  31           H        LEU  31  -1.842  -5.788   4.850
  223    HA   LEU  31           HA       LEU  31  -0.155  -4.775   7.097
  224   1HB   LEU  31          1HB       LEU  31  -1.917  -3.269   7.608
  225   2HB   LEU  31          2HB       LEU  31  -1.827  -3.353   5.866
  226    HG   LEU  31           HG       LEU  31  -3.808  -5.165   6.121
  227   1HD1  LEU  31          1HD1      LEU  31  -4.037  -3.538   8.742
  228   2HD1  LEU  31          2HD1      LEU  31  -5.319  -4.569   8.051
  229   3HD1  LEU  31          3HD1      LEU  31  -3.796  -5.298   8.569
  230   1HD2  LEU  31          1HD2      LEU  31  -4.229  -2.105   6.426
  231   2HD2  LEU  31          2HD2      LEU  31  -4.147  -3.026   4.898
  232   3HD2  LEU  31          3HD2      LEU  31  -5.508  -3.272   5.997
  233    H    ARG  32           H        ARG  32  -2.542  -7.295   6.845
  234    HA   ARG  32           HA       ARG  32  -2.794  -7.537   9.881
  235   1HB   ARG  32          1HB       ARG  32  -4.687  -7.006   8.196
  236   2HB   ARG  32          2HB       ARG  32  -4.584  -8.676   7.643
  237   1HG   ARG  32          1HG       ARG  32  -4.783  -8.643  10.588
  238   2HG   ARG  32          2HG       ARG  32  -5.996  -7.534   9.922
  239   1HD   ARG  32          1HD       ARG  32  -7.324  -9.386   9.554
  240   2HD   ARG  32          2HD       ARG  32  -6.248  -9.758   8.189
  241    HE   ARG  32           HE       ARG  32  -5.313 -10.726  10.915
  242   1HH1  ARG  32          2HH1      ARG  32  -6.786 -11.617   7.897
  243   2HH1  ARG  32          1HH1      ARG  32  -6.461 -13.393   8.178
  244   1HH2  ARG  32          1HH2      ARG  32  -4.974 -12.735  11.201
  245   2HH2  ARG  32          2HH2      ARG  32  -5.489 -13.973   9.966
  246    H    ALA  33           H        ALA  33  -1.654  -9.354   7.083
  247    HA   ALA  33           HA       ALA  33  -1.278 -11.964   7.786
  248   1HB   ALA  33          1HB       ALA  33  -0.223 -10.871   5.813
  249   2HB   ALA  33          2HB       ALA  33   1.011 -10.108   6.853
  250   3HB   ALA  33          3HB       ALA  33   0.961 -11.875   6.668
  251    H    THR  34           H        THR  34  -0.768 -13.118   9.476
  252    HA   THR  34           HA       THR  34   0.508 -11.889  11.887
  253    HB   THR  34           HB       THR  34  -0.330 -14.789  11.971
  254    HG1  THR  34           HG1      THR  34  -1.892 -13.035  10.809
  255   1HG2  THR  34          2HG2      THR  34   0.335 -13.380  14.029
  256   2HG2  THR  34          3HG2      THR  34  -1.086 -12.347  13.729
  257   3HG2  THR  34          1HG2      THR  34  -1.310 -14.055  14.144
  258    H    GLY  35           H        GLY  35   1.606 -14.151  13.126
  259   1HA   GLY  35          1HA       GLY  35   3.203 -15.849  11.305
  260   2HA   GLY  35          2HA       GLY  35   4.299 -14.824  12.239
  261   1HN   NH2  36          1HN       NH2  36   2.447 -14.922  14.720
  262   2HN   NH2  36          2HN       NH2  36   2.795 -16.518  15.437
  263   1H    ACE  37          1HH3      ACE  37 -16.813  -3.692  13.238
  264   2H    ACE  37          2HH3      ACE  37 -15.451  -4.240  14.275
  265   3H    ACE  37          3HH3      ACE  37 -16.289  -2.707  14.630
  266    H    VAL  38           H        VAL  38 -14.357  -4.317  12.120
  267    HA   VAL  38           HA       VAL  38 -13.877  -1.661  10.716
  268    HB   VAL  38           HB       VAL  38 -11.576  -3.565  11.415
  269   1HG1  VAL  38          1HG1      VAL  38 -11.557  -1.086   9.543
  270   2HG1  VAL  38          2HG1      VAL  38 -10.092  -1.893  10.146
  271   3HG1  VAL  38          3HG1      VAL  38 -11.205  -2.761   9.084
  272   1HG2  VAL  38          1HG2      VAL  38 -12.097  -1.916  13.266
  273   2HG2  VAL  38          2HG2      VAL  38 -10.539  -1.532  12.503
  274   3HG2  VAL  38          3HG2      VAL  38 -11.986  -0.572  12.108
  275    H    THR  39           H        THR  39 -15.050  -2.094   8.920
  276    HA   THR  39           HA       THR  39 -15.320  -4.964   7.888
  277    HB   THR  39           HB       THR  39 -17.049  -2.739   6.771
  278    HG1  THR  39           HG1      THR  39 -18.278  -3.968   8.798
  279   1HG2  THR  39          2HG2      THR  39 -17.568  -5.691   7.561
  280   2HG2  THR  39          3HG2      THR  39 -18.747  -4.614   6.775
  281   3HG2  THR  39          1HG2      THR  39 -17.268  -5.089   5.914
  282    H    GLU  40           H        GLU  40 -15.804  -4.737   5.321
  283    HA   GLU  40           HA       GLU  40 -13.202  -3.921   4.071
  284   1HB   GLU  40          1HB       GLU  40 -15.613  -5.137   2.657
  285   2HB   GLU  40          2HB       GLU  40 -13.998  -5.010   2.029
  286   1HG   GLU  40          1HG       GLU  40 -13.153  -6.719   3.659
  287   2HG   GLU  40          2HG       GLU  40 -14.682  -6.736   4.518
  288    H    GLU  41           H        GLU  41 -16.588  -2.810   3.656
  289    HA   GLU  41           HA       GLU  41 -16.106  -0.613   1.922
  290   1HB   GLU  41          1HB       GLU  41 -18.323  -1.268   2.293
  291   2HB   GLU  41          2HB       GLU  41 -18.236  -1.103   4.020
  292   1HG   GLU  41          1HG       GLU  41 -18.617   1.269   3.964
  293   2HG   GLU  41          2HG       GLU  41 -17.973   1.461   2.344
  294    H    ASP  42           H        ASP  42 -15.551  -0.605   5.405
  295    HA   ASP  42           HA       ASP  42 -14.946   2.338   5.626
  296   1HB   ASP  42          1HB       ASP  42 -14.602  -0.029   7.573
  297   2HB   ASP  42          2HB       ASP  42 -14.135   1.617   7.977
  298    H    ILE  43           H        ILE  43 -13.072  -0.647   5.233
  299    HA   ILE  43           HA       ILE  43 -10.397   0.691   5.044
  300    HB   ILE  43           HB       ILE  43 -11.383  -2.100   4.339
  301   1HG1  ILE  43          1HG1      ILE  43  -8.927  -1.461   6.067
  302   2HG1  ILE  43          2HG1      ILE  43 -10.518  -1.270   6.752
  303   1HG2  ILE  43          1HG2      ILE  43  -9.786  -1.540   2.465
  304   2HG2  ILE  43          2HG2      ILE  43  -8.553  -1.025   3.634
  305   3HG2  ILE  43          3HG2      ILE  43  -9.055  -2.731   3.530
  306   1HD1  ILE  43          1HD1      ILE  43 -11.105  -3.682   6.255
  307   2HD1  ILE  43          2HD1      ILE  43  -9.436  -3.951   5.689
  308   3HD1  ILE  43          3HD1      ILE  43  -9.739  -3.483   7.376
  309    H    GLU  44           H        GLU  44 -13.013  -0.006   2.805
  310    HA   GLU  44           HA       GLU  44 -11.516   0.713   0.309
  311   1HB   GLU  44          1HB       GLU  44 -14.237  -0.287   0.961
  312   2HB   GLU  44          2HB       GLU  44 -14.210   0.810  -0.386
  313   1HG   GLU  44          1HG       GLU  44 -12.066  -1.055  -0.939
  314   2HG   GLU  44          2HG       GLU  44 -13.361  -2.038  -0.281
  315    H    ASP  45           H        ASP  45 -13.563   2.426   2.578
  316    HA   ASP  45           HA       ASP  45 -13.606   5.056   1.125
  317   1HB   ASP  45          1HB       ASP  45 -14.345   4.123   3.951
  318   2HB   ASP  45          2HB       ASP  45 -14.225   5.841   3.599
  319    H    LEU  46           H        LEU  46 -11.587   3.594   3.656
  320    HA   LEU  46           HA       LEU  46  -9.533   5.705   3.989
  321   1HB   LEU  46          1HB       LEU  46  -9.758   3.674   5.412
  322   2HB   LEU  46          2HB       LEU  46  -9.275   2.639   4.089
  323    HG   LEU  46           HG       LEU  46  -6.964   3.613   4.083
  324   1HD1  LEU  46          1HD1      LEU  46  -7.782   5.951   4.958
  325   2HD1  LEU  46          2HD1      LEU  46  -7.689   5.216   6.584
  326   3HD1  LEU  46          3HD1      LEU  46  -6.230   5.326   5.589
  327   1HD2  LEU  46          1HD2      LEU  46  -7.861   1.770   5.937
  328   2HD2  LEU  46          2HD2      LEU  46  -6.177   2.373   5.894
  329   3HD2  LEU  46          3HD2      LEU  46  -7.327   3.079   7.032
  330    H    MET  47           H        MET  47  -9.538   3.011   1.651
  331    HA   MET  47           HA       MET  47  -7.119   3.777   0.269
  332   1HB   MET  47          1HB       MET  47  -7.823   1.539  -0.037
  333   2HB   MET  47          2HB       MET  47  -9.464   1.986  -0.469
  334   1HG   MET  47          1HG       MET  47  -8.272   1.177  -2.495
  335   2HG   MET  47          2HG       MET  47  -8.715   2.882  -2.693
  336   1HE   MET  47          1HE       MET  47  -6.352   0.593  -3.710
  337   2HE   MET  47          2HE       MET  47  -6.715   2.041  -4.694
  338   3HE   MET  47          3HE       MET  47  -5.031   1.713  -4.192
  339    H    LYS  48           H        LYS  48 -10.497   4.518  -0.629
  340    HA   LYS  48           HA       LYS  48  -9.732   6.018  -3.103
  341   1HB   LYS  48          1HB       LYS  48 -12.466   5.729  -1.746
  342   2HB   LYS  48          2HB       LYS  48 -12.232   6.259  -3.383
  343   1HG   LYS  48          1HG       LYS  48 -11.488   3.422  -2.305
  344   2HG   LYS  48          2HG       LYS  48 -13.010   3.811  -3.042
  345   1HD   LYS  48          1HD       LYS  48 -10.348   4.132  -4.541
  346   2HD   LYS  48          2HD       LYS  48 -11.284   2.678  -4.646
  347   1HE   LYS  48          1HE       LYS  48 -13.128   3.866  -5.852
  348   2HE   LYS  48          2HE       LYS  48 -12.493   5.437  -5.395
  349   1HZ   LYS  48          1HZ       LYS  48 -11.005   3.557  -7.265
  350   2HZ   LYS  48          2HZ       LYS  48 -11.790   4.924  -7.690
  351   3HZ   LYS  48          3HZ       LYS  48 -10.473   5.062  -6.820
  352    H    ASP  49           H        ASP  49 -10.323   6.902   0.205
  353    HA   ASP  49           HA       ASP  49 -10.209   9.883  -0.264
  354   1HB   ASP  49          1HB       ASP  49 -11.112   8.835   1.881
  355   2HB   ASP  49          2HB       ASP  49  -9.484   8.318   2.295
  356    H    SER  50           H        SER  50  -7.757   7.577   0.963
  357    HA   SER  50           HA       SER  50  -5.476   9.215   0.868
  358   1HB   SER  50          1HB       SER  50  -5.753   6.184   0.452
  359   2HB   SER  50          2HB       SER  50  -4.159   6.933   0.411
  360    HG   SER  50           HG       SER  50  -4.461   6.426   2.485
  361    H    ASP  51           H        ASP  51  -6.862   7.525  -1.901
  362    HA   ASP  51           HA       ASP  51  -4.520   7.752  -3.657
  363   1HB   ASP  51          1HB       ASP  51  -6.337   5.940  -3.680
  364   2HB   ASP  51          2HB       ASP  51  -7.424   7.081  -4.461
  365    H    LYS  52           H        LYS  52  -3.746   9.530  -4.524
  366    HA   LYS  52           HA       LYS  52  -5.150  12.167  -4.619
  367   1HB   LYS  52          1HB       LYS  52  -2.499  11.088  -5.696
  368   2HB   LYS  52          2HB       LYS  52  -2.972  12.723  -6.043
  369   1HG   LYS  52          1HG       LYS  52  -1.786  11.542  -3.556
  370   2HG   LYS  52          2HG       LYS  52  -1.746  13.183  -4.119
  371   1HD   LYS  52          1HD       LYS  52  -4.128  13.564  -3.292
  372   2HD   LYS  52          2HD       LYS  52  -4.153  11.995  -2.557
  373   1HE   LYS  52          1HE       LYS  52  -2.570  14.516  -1.742
  374   2HE   LYS  52          2HE       LYS  52  -3.589  13.479  -0.747
  375   1HZ   LYS  52          1HZ       LYS  52  -1.705  11.625  -1.266
  376   2HZ   LYS  52          2HZ       LYS  52  -0.731  12.940  -1.523
  377   3HZ   LYS  52          3HZ       LYS  52  -1.492  12.679  -0.103
  378    H    ASN  53           H        ASN  53  -3.557  10.867  -7.479
  379    HA   ASN  53           HA       ASN  53  -5.330  12.209  -9.290
  380   1HB   ASN  53          1HB       ASN  53  -4.071  10.982 -11.115
  381   2HB   ASN  53          2HB       ASN  53  -3.019  11.675  -9.912
  382   1HD2  ASN  53          1HD2      ASN  53  -2.962   7.669 -10.469
  383   2HD2  ASN  53          2HD2      ASN  53  -4.203   8.711 -11.298
  384    H    ASN  54           H        ASN  54  -6.054   9.283  -7.739
  385    HA   ASN  54           HA       ASN  54  -8.096   8.016  -7.742
  386   1HB   ASN  54          1HB       ASN  54  -8.918  10.534  -9.322
  387   2HB   ASN  54          2HB       ASN  54 -10.048   9.225  -9.115
  388   1HD2  ASN  54          1HD2      ASN  54  -9.797  11.855  -6.192
  389   2HD2  ASN  54          2HD2      ASN  54  -9.227  12.112  -7.902
  390    H    ASP  55           H        ASP  55  -6.767   6.430  -8.983
  391    HA   ASP  55           HA       ASP  55  -8.434   5.599 -11.418
  392   1HB   ASP  55          1HB       ASP  55  -6.571   5.365 -12.742
  393   2HB   ASP  55          2HB       ASP  55  -5.862   6.522 -11.624
  394    H    GLY  56           H        GLY  56  -7.195   4.673  -8.363
  395   1HA   GLY  56          1HA       GLY  56  -8.313   2.952  -7.026
  396   2HA   GLY  56          2HA       GLY  56  -8.875   2.189  -8.518
  397    H    ARG  57           H        ARG  57  -5.561   2.614  -8.780
  398    HA   ARG  57           HA       ARG  57  -4.695   0.331  -6.998
  399   1HB   ARG  57          1HB       ARG  57  -3.459  -0.789  -8.972
  400   2HB   ARG  57          2HB       ARG  57  -5.201  -1.031  -8.852
  401   1HG   ARG  57          1HG       ARG  57  -5.590   0.737 -10.619
  402   2HG   ARG  57          2HG       ARG  57  -3.866   1.097 -10.676
  403   1HD   ARG  57          1HD       ARG  57  -4.859  -0.510 -12.530
  404   2HD   ARG  57          2HD       ARG  57  -3.324  -0.947 -11.783
  405    HE   ARG  57           HE       ARG  57  -4.288  -2.783 -10.569
  406   1HH1  ARG  57          2HH1      ARG  57  -6.907  -0.877 -11.803
  407   2HH1  ARG  57          1HH1      ARG  57  -8.127  -2.186 -11.372
  408   1HH2  ARG  57          1HH2      ARG  57  -5.644  -4.146 -10.059
  409   2HH2  ARG  57          2HH2      ARG  57  -7.435  -3.950 -10.396
  410    H    ILE  58           H        ILE  58  -2.427   0.150  -6.673
  411    HA   ILE  58           HA       ILE  58  -1.351   2.985  -6.486
  412    HB   ILE  58           HB       ILE  58  -1.089   0.574  -4.627
  413   1HG1  ILE  58          1HG1      ILE  58  -2.388   3.353  -4.227
  414   2HG1  ILE  58          2HG1      ILE  58  -3.235   1.844  -4.415
  415   1HG2  ILE  58          1HG2      ILE  58   1.135   1.787  -4.594
  416   2HG2  ILE  58          2HG2      ILE  58   0.313   3.321  -4.248
  417   3HG2  ILE  58          3HG2      ILE  58   0.295   1.996  -3.061
  418   1HD1  ILE  58          1HD1      ILE  58  -2.263   0.938  -2.256
  419   2HD1  ILE  58          2HD1      ILE  58  -1.495   2.521  -1.969
  420   3HD1  ILE  58          3HD1      ILE  58  -3.266   2.396  -2.046
  421    H    ASP  59           H        ASP  59   0.763   3.537  -6.879
  422    HA   ASP  59           HA       ASP  59   2.693   1.408  -7.916
  423   1HB   ASP  59          1HB       ASP  59   3.712   3.242  -9.249
  424   2HB   ASP  59          2HB       ASP  59   1.985   3.124  -9.555
  425    H    PHE  60           H        PHE  60   5.065   2.771  -7.817
  426    HA   PHE  60           HA       PHE  60   6.060   2.066  -5.133
  427   1HB   PHE  60          1HB       PHE  60   7.324   2.052  -7.407
  428   2HB   PHE  60          2HB       PHE  60   7.525   3.763  -7.238
  429    HD1  PHE  60           HD1      PHE  60   7.753   2.176  -3.968
  430    HD2  PHE  60           HD2      PHE  60   9.998   3.034  -7.528
  431    HE1  PHE  60           HE1      PHE  60   9.862   1.874  -2.722
  432    HE2  PHE  60           HE2      PHE  60  12.089   2.727  -6.285
  433    HZ   PHE  60           HZ       PHE  60  12.034   2.104  -3.892
  434    H    ASP  61           H        ASP  61   5.147   5.171  -6.523
  435    HA   ASP  61           HA       ASP  61   6.191   7.072  -4.505
  436   1HB   ASP  61          1HB       ASP  61   5.326   8.173  -6.422
  437   2HB   ASP  61          2HB       ASP  61   4.035   7.013  -6.665
  438    H    GLU  62           H        GLU  62   2.820   6.456  -4.972
  439    HA   GLU  62           HA       GLU  62   1.524   6.736  -2.450
  440   1HB   GLU  62          1HB       GLU  62   0.971   4.638  -4.592
  441   2HB   GLU  62          2HB       GLU  62  -0.069   4.883  -3.221
  442   1HG   GLU  62          1HG       GLU  62  -0.237   7.430  -4.089
  443   2HG   GLU  62          2HG       GLU  62   0.409   6.798  -5.592
  444    H    PHE  63           H        PHE  63   3.746   4.095  -3.228
  445    HA   PHE  63           HA       PHE  63   3.078   2.323  -0.887
  446   1HB   PHE  63          1HB       PHE  63   4.334   1.638  -3.033
  447   2HB   PHE  63          2HB       PHE  63   5.711   2.521  -2.467
  448    HD1  PHE  63           HD1      PHE  63   3.532  -0.365  -1.321
  449    HD2  PHE  63           HD2      PHE  63   7.335   1.614  -0.940
  450    HE1  PHE  63           HE1      PHE  63   4.421  -2.291  -0.107
  451    HE2  PHE  63           HE2      PHE  63   8.225  -0.358   0.242
  452    HZ   PHE  63           HZ       PHE  63   6.796  -2.344   0.594
  453    H    LEU  64           H        LEU  64   5.882   4.460  -1.488
  454    HA   LEU  64           HA       LEU  64   6.970   4.760   1.131
  455   1HB   LEU  64          1HB       LEU  64   6.749   6.789  -1.145
  456   2HB   LEU  64          2HB       LEU  64   7.605   7.183   0.325
  457    HG   LEU  64           HG       LEU  64   8.363   4.686  -1.291
  458   1HD1  LEU  64          1HD1      LEU  64   9.310   7.592  -1.793
  459   2HD1  LEU  64          2HD1      LEU  64  10.097   6.135  -2.457
  460   3HD1  LEU  64          3HD1      LEU  64   8.431   6.511  -2.908
  461   1HD2  LEU  64          1HD2      LEU  64   9.966   6.497   0.662
  462   2HD2  LEU  64          2HD2      LEU  64   9.448   4.810   0.944
  463   3HD2  LEU  64          3HD2      LEU  64  10.662   5.164  -0.292
  464    H    LYS  65           H        LYS  65   4.192   6.588  -0.140
  465    HA   LYS  65           HA       LYS  65   4.055   8.302   2.351
  466   1HB   LYS  65          1HB       LYS  65   4.006   9.616   0.501
  467   2HB   LYS  65          2HB       LYS  65   3.394   8.368  -0.568
  468   1HG   LYS  65          1HG       LYS  65   1.491   9.683  -0.642
  469   2HG   LYS  65          2HG       LYS  65   1.113   9.035   0.966
  470   1HD   LYS  65          1HD       LYS  65   2.721  10.870   1.915
  471   2HD   LYS  65          2HD       LYS  65   2.624  11.662   0.339
  472   1HE   LYS  65          1HE       LYS  65  -0.021  11.658   0.791
  473   2HE   LYS  65          2HE       LYS  65   0.408  11.188   2.446
  474   1HZ   LYS  65          1HZ       LYS  65   2.121  13.237   2.229
  475   2HZ   LYS  65          2HZ       LYS  65   1.147  13.782   1.072
  476   3HZ   LYS  65          3HZ       LYS  65   0.574  13.587   2.606
  477    H    MET  66           H        MET  66   2.261   5.570   1.002
  478    HA   MET  66           HA       MET  66   0.164   5.696   3.104
  479   1HB   MET  66          1HB       MET  66  -0.418   4.613   1.043
  480   2HB   MET  66          2HB       MET  66   1.032   3.633   1.026
  481   1HG   MET  66          1HG       MET  66  -0.679   3.042   3.416
  482   2HG   MET  66          2HG       MET  66  -1.465   2.694   1.864
  483   1HE   MET  66          1HE       MET  66   0.763   2.006  -0.139
  484   2HE   MET  66          2HE       MET  66   0.896   0.235   0.068
  485   3HE   MET  66          3HE       MET  66  -0.712   1.020   0.106
  486    H    MET  67           H        MET  67   3.145   3.764   2.777
  487    HA   MET  67           HA       MET  67   3.252   2.347   5.355
  488   1HB   MET  67          1HB       MET  67   5.046   1.890   3.820
  489   2HB   MET  67          2HB       MET  67   5.358   3.588   3.519
  490   1HG   MET  67          1HG       MET  67   6.959   3.683   5.128
  491   2HG   MET  67          2HG       MET  67   5.831   3.122   6.377
  492   1HE   MET  67          1HE       MET  67   7.946   2.178   3.309
  493   2HE   MET  67          2HE       MET  67   9.160   2.206   4.629
  494   3HE   MET  67          3HE       MET  67   8.768   0.667   3.802
  495    H    GLU  68           H        GLU  68   4.666   5.606   4.640
  496    HA   GLU  68           HA       GLU  68   4.592   6.763   7.254
  497   1HB   GLU  68          1HB       GLU  68   5.256   7.678   4.804
  498   2HB   GLU  68          2HB       GLU  68   3.737   8.508   4.945
  499   1HG   GLU  68          1HG       GLU  68   4.555  10.041   6.530
  500   2HG   GLU  68          2HG       GLU  68   5.541   8.854   7.364
  501    H    GLY  69           H        GLY  69   1.828   6.567   5.030
  502   1HA   GLY  69          1HA       GLY  69  -0.595   6.745   5.465
  503   2HA   GLY  69          2HA       GLY  69  -0.100   5.661   6.771
  504    H    VAL  70           H        VAL  70  -0.181   6.390   8.919
  505    HA   VAL  70           HA       VAL  70  -2.178   8.721   9.152
  506    HB   VAL  70           HB       VAL  70  -2.062   6.286  11.007
  507   1HG1  VAL  70          1HG1      VAL  70  -4.232   8.473  10.626
  508   2HG1  VAL  70          2HG1      VAL  70  -4.403   7.033  11.662
  509   3HG1  VAL  70          3HG1      VAL  70  -3.195   8.257  12.057
  510   1HG2  VAL  70          1HG2      VAL  70  -2.748   5.505   8.703
  511   2HG2  VAL  70          2HG2      VAL  70  -4.090   5.396   9.831
  512   3HG2  VAL  70          3HG2      VAL  70  -4.034   6.730   8.642
  513    H    GLN  71           H        GLN  71  -2.045   9.984  11.088
  514    HA   GLN  71           HA       GLN  71   0.792  10.853  11.251
  515   1HB   GLN  71          1HB       GLN  71  -0.896  12.448  10.607
  516   2HB   GLN  71          2HB       GLN  71  -1.862  12.153  12.050
  517   1HG   GLN  71          1HG       GLN  71  -0.010  13.153  13.479
  518   2HG   GLN  71          2HG       GLN  71   0.986  13.423  12.062
  519   1HE2  GLN  71          1HE2      GLN  71  -1.108  16.246  11.040
  520   2HE2  GLN  71          2HE2      GLN  71  -0.208  14.792  10.337
  521   1HN   NH2  72          1HN       NH2  72  -1.601   9.619  13.690
  522   2HN   NH2  72          2HN       NH2  72  -0.472   9.615  15.071
   
  No H/Q in entry =         522
  Start of MODEL   26
    1   1H    ACE   1          1HH3      ACE   1  17.658  11.478   5.864
    2   2H    ACE   1          2HH3      ACE   1  18.840  10.148   6.133
    3   3H    ACE   1          3HH3      ACE   1  19.012  11.248   4.736
    4    H    LYS   2           H        LYS   2  16.624   8.989   6.131
    5    HA   LYS   2           HA       LYS   2  14.818   7.755   5.165
    6   1HB   LYS   2          1HB       LYS   2  13.923   9.928   4.840
    7   2HB   LYS   2          2HB       LYS   2  14.963  10.327   3.491
    8   1HG   LYS   2          1HG       LYS   2  13.544   8.163   2.388
    9   2HG   LYS   2          2HG       LYS   2  12.392   8.650   3.605
   10   1HD   LYS   2          1HD       LYS   2  13.479  10.920   1.909
   11   2HD   LYS   2          2HD       LYS   2  12.536   9.719   1.024
   12   1HE   LYS   2          1HE       LYS   2  10.775  11.072   1.693
   13   2HE   LYS   2          2HE       LYS   2  10.774   9.992   3.098
   14   1HZ   LYS   2          1HZ       LYS   2  12.527  12.478   3.221
   15   2HZ   LYS   2          2HZ       LYS   2  10.929  12.623   3.421
   16   3HZ   LYS   2          3HZ       LYS   2  11.699  11.739   4.458
   17    H    SER   3           H        SER   3  16.041   5.949   4.586
   18    HA   SER   3           HA       SER   3  17.526   5.732   2.037
   19   1HB   SER   3          1HB       SER   3  18.369   4.728   4.062
   20   2HB   SER   3          2HB       SER   3  16.929   3.775   4.332
   21    HG   SER   3           HG       SER   3  17.426   2.442   2.675
   22    H    GLU   4           H        GLU   4  17.225   4.058   0.363
   23    HA   GLU   4           HA       GLU   4  14.267   4.012  -0.399
   24   1HB   GLU   4          1HB       GLU   4  14.799   5.721  -1.755
   25   2HB   GLU   4          2HB       GLU   4  16.473   5.237  -1.886
   26   1HG   GLU   4          1HG       GLU   4  15.069   3.256  -3.432
   27   2HG   GLU   4          2HG       GLU   4  14.223   4.758  -3.785
   28    H    GLU   5           H        GLU   5  17.268   2.293  -0.365
   29    HA   GLU   5           HA       GLU   5  16.520   0.067  -2.044
   30   1HB   GLU   5          1HB       GLU   5  18.767   0.213  -1.791
   31   2HB   GLU   5          2HB       GLU   5  18.719   0.629  -0.105
   32   1HG   GLU   5          1HG       GLU   5  17.945  -2.038   0.100
   33   2HG   GLU   5          2HG       GLU   5  18.865  -2.130  -1.390
   34    H    GLU   6           H        GLU   6  15.663   0.604   1.279
   35    HA   GLU   6           HA       GLU   6  14.726  -2.232   1.647
   36   1HB   GLU   6          1HB       GLU   6  15.415   0.029   3.510
   37   2HB   GLU   6          2HB       GLU   6  14.331  -1.190   4.109
   38   1HG   GLU   6          1HG       GLU   6  17.177  -1.786   3.025
   39   2HG   GLU   6          2HG       GLU   6  16.782  -1.596   4.724
   40    H    LEU   7           H        LEU   7  13.223   0.950   1.454
   41    HA   LEU   7           HA       LEU   7  10.388  -0.091   1.599
   42   1HB   LEU   7          1HB       LEU   7  11.534   2.542   0.519
   43   2HB   LEU   7          2HB       LEU   7   9.827   2.173   0.566
   44    HG   LEU   7           HG       LEU   7  10.323   1.790   3.218
   45   1HD1  LEU   7          1HD1      LEU   7  12.771   2.194   3.039
   46   2HD1  LEU   7          2HD1      LEU   7  12.497   3.818   2.359
   47   3HD1  LEU   7          3HD1      LEU   7  12.014   3.446   4.034
   48   1HD2  LEU   7          1HD2      LEU   7   9.951   4.571   1.877
   49   2HD2  LEU   7          2HD2      LEU   7   8.659   3.450   2.387
   50   3HD2  LEU   7          3HD2      LEU   7   9.680   4.220   3.604
   51    H    ALA   8           H        ALA   8  12.752   0.523  -1.031
   52    HA   ALA   8           HA       ALA   8  11.223  -0.543  -3.215
   53   1HB   ALA   8          1HB       ALA   8  14.264  -0.694  -2.658
   54   2HB   ALA   8          2HB       ALA   8  13.499  -0.966  -4.237
   55   3HB   ALA   8          3HB       ALA   8  13.389   0.624  -3.472
   56    H    ASN   9           H        ASN   9  13.643  -2.535  -1.432
   57    HA   ASN   9           HA       ASN   9  12.683  -5.153  -2.185
   58   1HB   ASN   9          1HB       ASN   9  14.029  -4.297   0.473
   59   2HB   ASN   9          2HB       ASN   9  13.843  -5.950  -0.044
   60   1HD2  ASN   9          1HD2      ASN   9  17.240  -4.736  -1.027
   61   2HD2  ASN   9          2HD2      ASN   9  16.302  -4.845   0.530
   62    H    ALA  10           H        ALA  10  11.510  -3.169   0.558
   63    HA   ALA  10           HA       ALA  10   9.325  -4.868   1.432
   64   1HB   ALA  10          1HB       ALA  10  10.184  -2.840   2.616
   65   2HB   ALA  10          2HB       ALA  10   9.486  -1.776   1.367
   66   3HB   ALA  10          3HB       ALA  10   8.424  -2.752   2.406
   67    H    PHE  11           H        PHE  11   9.282  -2.443  -1.195
   68    HA   PHE  11           HA       PHE  11   6.474  -2.847  -1.967
   69   1HB   PHE  11          1HB       PHE  11   7.827  -0.769  -2.369
   70   2HB   PHE  11          2HB       PHE  11   8.807  -1.609  -3.522
   71    HD1  PHE  11           HD1      PHE  11   5.467  -0.102  -2.978
   72    HD2  PHE  11           HD2      PHE  11   7.964  -2.103  -5.855
   73    HE1  PHE  11           HE1      PHE  11   3.964   0.609  -4.792
   74    HE2  PHE  11           HE2      PHE  11   6.432  -1.402  -7.653
   75    HZ   PHE  11           HZ       PHE  11   4.402  -0.091  -7.112
   76    H    ARG  12           H        ARG  12   9.457  -4.263  -3.320
   77    HA   ARG  12           HA       ARG  12   8.225  -6.125  -5.181
   78   1HB   ARG  12          1HB       ARG  12  10.780  -5.558  -4.604
   79   2HB   ARG  12          2HB       ARG  12  10.660  -6.951  -3.535
   80   1HG   ARG  12          1HG       ARG  12  11.551  -7.327  -5.974
   81   2HG   ARG  12          2HG       ARG  12  10.382  -8.498  -5.349
   82   1HD   ARG  12          1HD       ARG  12   8.657  -7.801  -6.791
   83   2HD   ARG  12          2HD       ARG  12   9.217  -6.106  -6.829
   84    HE   ARG  12           HE       ARG  12  10.991  -8.221  -8.147
   85   1HH1  ARG  12          2HH1      ARG  12   8.965  -5.437  -8.540
   86   2HH1  ARG  12          1HH1      ARG  12   9.441  -5.237 -10.295
   87   1HH2  ARG  12          1HH2      ARG  12  11.503  -7.987 -10.110
   88   2HH2  ARG  12          2HH2      ARG  12  10.824  -6.637 -11.132
   89    H    ILE  13           H        ILE  13   8.873  -6.632  -1.670
   90    HA   ILE  13           HA       ILE  13   8.131  -9.528  -1.726
   91    HB   ILE  13           HB       ILE  13   8.804  -7.578   0.524
   92   1HG1  ILE  13          1HG1      ILE  13  10.850  -8.365  -0.480
   93   2HG1  ILE  13          2HG1      ILE  13  10.672  -9.261   1.004
   94   1HG2  ILE  13          1HG2      ILE  13   7.039  -9.108   1.485
   95   2HG2  ILE  13          2HG2      ILE  13   7.942 -10.538   0.931
   96   3HG2  ILE  13          3HG2      ILE  13   8.597  -9.482   2.198
   97   1HD1  ILE  13          1HD1      ILE  13   9.818 -11.294  -0.208
   98   2HD1  ILE  13          2HD1      ILE  13  10.043 -10.455  -1.762
   99   3HD1  ILE  13          3HD1      ILE  13  11.445 -10.806  -0.733
  100    H    PHE  14           H        PHE  14   6.464  -6.510  -1.003
  101    HA   PHE  14           HA       PHE  14   3.876  -7.670  -0.120
  102   1HB   PHE  14          1HB       PHE  14   4.700  -4.931  -1.263
  103   2HB   PHE  14          2HB       PHE  14   3.029  -5.305  -0.999
  104    HD1  PHE  14           HD1      PHE  14   5.182  -6.878   1.507
  105    HD2  PHE  14           HD2      PHE  14   3.144  -3.233   0.502
  106    HE1  PHE  14           HE1      PHE  14   5.350  -6.136   3.849
  107    HE2  PHE  14           HE2      PHE  14   3.335  -2.487   2.841
  108    HZ   PHE  14           HZ       PHE  14   4.404  -3.957   4.530
  109    H    ASP  15           H        ASP  15   5.044  -6.547  -3.318
  110    HA   ASP  15           HA       ASP  15   2.692  -7.290  -4.837
  111   1HB   ASP  15          1HB       ASP  15   4.403  -5.651  -5.580
  112   2HB   ASP  15          2HB       ASP  15   5.618  -6.910  -5.740
  113    H    LYS  16           H        LYS  16   1.992  -9.159  -5.898
  114    HA   LYS  16           HA       LYS  16   3.163 -11.620  -4.542
  115   1HB   LYS  16          1HB       LYS  16   0.906 -12.688  -4.785
  116   2HB   LYS  16          2HB       LYS  16   0.911 -11.296  -3.739
  117   1HG   LYS  16          1HG       LYS  16  -1.115 -11.074  -4.989
  118   2HG   LYS  16          2HG       LYS  16  -0.032  -9.958  -5.810
  119   1HD   LYS  16          1HD       LYS  16  -0.541 -11.004  -7.767
  120   2HD   LYS  16          2HD       LYS  16   0.466 -12.331  -7.192
  121   1HE   LYS  16          1HE       LYS  16  -1.241 -13.778  -7.217
  122   2HE   LYS  16          2HE       LYS  16  -2.108 -12.838  -5.985
  123   1HZ   LYS  16          1HZ       LYS  16  -2.109 -11.986  -8.908
  124   2HZ   LYS  16          2HZ       LYS  16  -3.208 -13.044  -8.337
  125   3HZ   LYS  16          3HZ       LYS  16  -3.192 -11.507  -7.755
  126    H    ASN  17           H        ASN  17   3.822 -10.269  -7.254
  127    HA   ASN  17           HA       ASN  17   3.549 -12.516  -9.228
  128   1HB   ASN  17          1HB       ASN  17   1.635 -11.902 -10.337
  129   2HB   ASN  17          2HB       ASN  17   1.196 -11.447  -8.713
  130   1HD2  ASN  17          1HD2      ASN  17   0.876  -7.998  -9.628
  131   2HD2  ASN  17          2HD2      ASN  17   0.952  -9.149  -8.254
  132    H    ALA  18           H        ALA  18   4.198  -9.000  -8.813
  133    HA   ALA  18           HA       ALA  18   6.255  -7.867  -9.379
  134   1HB   ALA  18          1HB       ALA  18   7.277 -10.038  -8.602
  135   2HB   ALA  18          2HB       ALA  18   7.122 -10.694 -10.247
  136   3HB   ALA  18          3HB       ALA  18   8.205  -9.323  -9.950
  137    H    ASP  19           H        ASP  19   4.227  -7.554 -11.235
  138    HA   ASP  19           HA       ASP  19   5.838  -7.080 -13.789
  139   1HB   ASP  19          1HB       ASP  19   3.318  -7.783 -13.793
  140   2HB   ASP  19          2HB       ASP  19   2.950  -6.150 -13.255
  141    H    GLY  20           H        GLY  20   5.104  -5.584 -10.791
  142   1HA   GLY  20          1HA       GLY  20   6.845  -3.784 -10.182
  143   2HA   GLY  20          2HA       GLY  20   6.428  -2.983 -11.703
  144    H    TYR  21           H        TYR  21   3.574  -4.056 -10.337
  145    HA   TYR  21           HA       TYR  21   2.969  -1.304  -9.082
  146   1HB   TYR  21          1HB       TYR  21   1.082  -3.028 -10.813
  147   2HB   TYR  21          2HB       TYR  21   0.592  -1.613  -9.929
  148    HD1  TYR  21           HD1      TYR  21   3.908  -1.070 -11.223
  149    HD2  TYR  21           HD2      TYR  21  -0.247  -0.953 -12.330
  150    HE1  TYR  21           HE1      TYR  21   4.470   0.244 -13.231
  151    HE2  TYR  21           HE2      TYR  21   0.348   0.355 -14.344
  152    HH   TYR  21           HH       TYR  21   2.764   0.575 -15.798
  153    H    ILE  22           H        ILE  22   1.131  -1.298  -7.588
  154    HA   ILE  22           HA       ILE  22   0.495  -3.967  -6.201
  155    HB   ILE  22           HB       ILE  22   0.861  -1.212  -4.904
  156   1HG1  ILE  22          1HG1      ILE  22   2.567  -3.778  -4.660
  157   2HG1  ILE  22          2HG1      ILE  22   3.064  -2.263  -5.362
  158   1HG2  ILE  22          1HG2      ILE  22  -0.989  -2.490  -3.733
  159   2HG2  ILE  22          2HG2      ILE  22   0.085  -3.886  -3.520
  160   3HG2  ILE  22          3HG2      ILE  22   0.410  -2.347  -2.683
  161   1HD1  ILE  22          1HD1      ILE  22   2.840  -1.085  -3.115
  162   2HD1  ILE  22          2HD1      ILE  22   2.531  -2.671  -2.364
  163   3HD1  ILE  22          3HD1      ILE  22   4.083  -2.360  -3.170
  164    H    ASP  23           H        ASP  23  -1.544  -4.556  -6.206
  165    HA   ASP  23           HA       ASP  23  -3.665  -2.588  -7.193
  166   1HB   ASP  23          1HB       ASP  23  -4.933  -4.729  -7.848
  167   2HB   ASP  23          2HB       ASP  23  -3.432  -4.424  -8.714
  168    H    ILE  24           H        ILE  24  -5.912  -2.975  -6.456
  169    HA   ILE  24           HA       ILE  24  -6.118  -2.658  -3.464
  170    HB   ILE  24           HB       ILE  24  -7.581  -1.527  -5.431
  171   1HG1  ILE  24          1HG1      ILE  24  -7.674  -1.278  -2.718
  172   2HG1  ILE  24          2HG1      ILE  24  -8.814  -0.498  -3.780
  173   1HG2  ILE  24          1HG2      ILE  24  -8.708  -3.665  -6.207
  174   2HG2  ILE  24          2HG2      ILE  24  -9.379  -3.915  -4.583
  175   3HG2  ILE  24          3HG2      ILE  24  -9.900  -2.537  -5.585
  176   1HD1  ILE  24          1HD1      ILE  24 -10.475  -2.404  -3.482
  177   2HD1  ILE  24          2HD1      ILE  24  -9.401  -3.089  -2.237
  178   3HD1  ILE  24          3HD1      ILE  24 -10.123  -1.484  -1.995
  179    H    GLU  25           H        GLU  25  -6.070  -5.328  -5.622
  180    HA   GLU  25           HA       GLU  25  -7.520  -7.203  -3.784
  181   1HB   GLU  25          1HB       GLU  25  -7.767  -7.854  -5.976
  182   2HB   GLU  25          2HB       GLU  25  -6.137  -7.474  -6.443
  183   1HG   GLU  25          1HG       GLU  25  -5.277  -9.599  -5.733
  184   2HG   GLU  25          2HG       GLU  25  -6.527  -9.844  -4.526
  185    H    GLU  26           H        GLU  26  -4.168  -6.278  -4.288
  186    HA   GLU  26           HA       GLU  26  -2.967  -8.440  -2.580
  187   1HB   GLU  26          1HB       GLU  26  -0.895  -7.645  -3.075
  188   2HB   GLU  26          2HB       GLU  26  -1.776  -7.211  -4.508
  189   1HG   GLU  26          1HG       GLU  26  -0.599  -5.204  -4.205
  190   2HG   GLU  26          2HG       GLU  26  -1.989  -4.780  -3.223
  191    H    LEU  27           H        LEU  27  -3.786  -5.026  -2.090
  192    HA   LEU  27           HA       LEU  27  -2.450  -4.396   0.382
  193   1HB   LEU  27          1HB       LEU  27  -3.590  -2.746  -1.040
  194   2HB   LEU  27          2HB       LEU  27  -5.158  -3.426  -0.690
  195    HG   LEU  27           HG       LEU  27  -4.807  -1.304   0.551
  196   1HD1  LEU  27          1HD1      LEU  27  -6.319  -3.035   1.526
  197   2HD1  LEU  27          2HD1      LEU  27  -4.969  -3.739   2.461
  198   3HD1  LEU  27          3HD1      LEU  27  -5.543  -2.078   2.786
  199   1HD2  LEU  27          1HD2      LEU  27  -2.530  -2.767   2.084
  200   2HD2  LEU  27          2HD2      LEU  27  -2.324  -1.402   0.946
  201   3HD2  LEU  27          3HD2      LEU  27  -3.198  -1.155   2.462
  202    H    GLY  28           H        GLY  28  -5.917  -5.355   0.306
  203   1HA   GLY  28          1HA       GLY  28  -6.345  -5.489   3.216
  204   2HA   GLY  28          2HA       GLY  28  -7.331  -6.320   2.007
  205    H    GLU  29           H        GLU  29  -5.320  -8.012   0.910
  206    HA   GLU  29           HA       GLU  29  -5.437 -10.264   2.875
  207   1HB   GLU  29          1HB       GLU  29  -4.846  -9.974  -0.020
  208   2HB   GLU  29          2HB       GLU  29  -3.894 -11.205   0.750
  209   1HG   GLU  29          1HG       GLU  29  -5.696 -12.572   0.205
  210   2HG   GLU  29          2HG       GLU  29  -6.401 -11.972   1.695
  211    H    ILE  30           H        ILE  30  -2.877  -8.150   1.695
  212    HA   ILE  30           HA       ILE  30  -0.632  -9.253   3.345
  213    HB   ILE  30           HB       ILE  30  -1.115  -6.525   2.062
  214   1HG1  ILE  30          1HG1      ILE  30   0.704  -7.012   0.566
  215   2HG1  ILE  30          2HG1      ILE  30   1.352  -8.273   1.579
  216   1HG2  ILE  30          1HG2      ILE  30   0.086  -6.065   4.231
  217   2HG2  ILE  30          2HG2      ILE  30   1.334  -7.269   3.817
  218   3HG2  ILE  30          3HG2      ILE  30   1.153  -5.771   2.863
  219   1HD1  ILE  30          1HD1      ILE  30  -1.257  -8.647  -0.038
  220   2HD1  ILE  30          2HD1      ILE  30   0.356  -9.282  -0.426
  221   3HD1  ILE  30          3HD1      ILE  30  -0.488  -9.850   1.029
  222    H    LEU  31           H        LEU  31  -2.715  -6.376   3.846
  223    HA   LEU  31           HA       LEU  31  -2.138  -6.265   6.788
  224   1HB   LEU  31          1HB       LEU  31  -4.387  -4.644   5.605
  225   2HB   LEU  31          2HB       LEU  31  -3.210  -4.192   6.814
  226    HG   LEU  31           HG       LEU  31  -2.584  -4.440   3.809
  227   1HD1  LEU  31          1HD1      LEU  31  -3.164  -1.943   5.542
  228   2HD1  LEU  31          2HD1      LEU  31  -2.545  -1.918   3.869
  229   3HD1  LEU  31          3HD1      LEU  31  -4.145  -2.589   4.197
  230   1HD2  LEU  31          1HD2      LEU  31  -0.880  -3.312   6.146
  231   2HD2  LEU  31          2HD2      LEU  31  -0.497  -4.730   5.130
  232   3HD2  LEU  31          3HD2      LEU  31  -0.494  -3.115   4.416
  233    H    ARG  32           H        ARG  32  -3.924  -8.544   5.371
  234    HA   ARG  32           HA       ARG  32  -5.046  -9.113   8.164
  235   1HB   ARG  32          1HB       ARG  32  -6.651  -7.935   6.462
  236   2HB   ARG  32          2HB       ARG  32  -6.702  -9.467   5.592
  237   1HG   ARG  32          1HG       ARG  32  -8.646  -9.178   7.163
  238   2HG   ARG  32          2HG       ARG  32  -7.671 -10.597   7.589
  239   1HD   ARG  32          1HD       ARG  32  -6.505  -9.340   9.413
  240   2HD   ARG  32          2HD       ARG  32  -7.309  -7.826   8.941
  241    HE   ARG  32           HE       ARG  32  -9.405  -8.628   9.918
  242   1HH1  ARG  32          2HH1      ARG  32  -7.075 -11.205   9.941
  243   2HH1  ARG  32          1HH1      ARG  32  -8.126 -12.246  11.013
  244   1HH2  ARG  32          1HH2      ARG  32 -10.557  -9.824  11.132
  245   2HH2  ARG  32          2HH2      ARG  32 -10.001 -11.486  11.635
  246    H    ALA  33           H        ALA  33  -4.956 -10.614   4.908
  247    HA   ALA  33           HA       ALA  33  -5.259 -13.296   6.000
  248   1HB   ALA  33          1HB       ALA  33  -6.233 -12.518   3.844
  249   2HB   ALA  33          2HB       ALA  33  -4.607 -12.373   3.123
  250   3HB   ALA  33          3HB       ALA  33  -5.243 -13.966   3.588
  251    H    THR  34           H        THR  34  -3.772 -14.510   6.953
  252    HA   THR  34           HA       THR  34  -0.874 -14.467   6.249
  253    HB   THR  34           HB       THR  34  -2.223 -14.984   8.586
  254    HG1  THR  34           HG1      THR  34   0.201 -14.837   7.918
  255   1HG2  THR  34          2HG2      THR  34  -2.951 -17.297   7.707
  256   2HG2  THR  34          3HG2      THR  34  -1.231 -17.759   7.619
  257   3HG2  THR  34          1HG2      THR  34  -1.965 -17.390   9.189
  258    H    GLY  35           H        GLY  35   0.177 -15.726   4.873
  259   1HA   GLY  35          1HA       GLY  35  -0.645 -18.563   4.119
  260   2HA   GLY  35          2HA       GLY  35  -0.815 -17.347   2.847
  261   1HN   NH2  36          1HN       NH2  36   1.944 -16.689   4.914
  262   2HN   NH2  36          2HN       NH2  36   3.198 -17.393   3.858
  263   1H    ACE  37          1HH3      ACE  37  -4.138  -4.839  13.784
  264   2H    ACE  37          2HH3      ACE  37  -3.108  -3.525  13.117
  265   3H    ACE  37          3HH3      ACE  37  -3.979  -3.290  14.655
  266    H    VAL  38           H        VAL  38  -4.776  -4.207  11.259
  267    HA   VAL  38           HA       VAL  38  -6.558  -1.720  11.093
  268    HB   VAL  38           HB       VAL  38  -6.213  -1.595   8.807
  269   1HG1  VAL  38          1HG1      VAL  38  -3.574  -2.850   9.862
  270   2HG1  VAL  38          2HG1      VAL  38  -3.713  -1.958   8.330
  271   3HG1  VAL  38          3HG1      VAL  38  -4.002  -1.129   9.863
  272   1HG2  VAL  38          1HG2      VAL  38  -6.831  -3.956   8.128
  273   2HG2  VAL  38          2HG2      VAL  38  -5.343  -3.436   7.308
  274   3HG2  VAL  38          3HG2      VAL  38  -5.253  -4.540   8.702
  275    H    THR  39           H        THR  39  -8.686  -1.868  10.572
  276    HA   THR  39           HA       THR  39  -9.917  -4.597   9.896
  277    HB   THR  39           HB       THR  39 -12.141  -3.776  10.538
  278    HG1  THR  39           HG1      THR  39 -12.302  -1.849  11.730
  279   1HG2  THR  39          2HG2      THR  39 -10.048  -3.274  12.770
  280   2HG2  THR  39          3HG2      THR  39 -11.782  -3.578  13.034
  281   3HG2  THR  39          1HG2      THR  39 -10.755  -4.848  12.337
  282    H    GLU  40           H        GLU  40 -11.873  -4.182   8.309
  283    HA   GLU  40           HA       GLU  40 -10.516  -3.364   5.780
  284   1HB   GLU  40          1HB       GLU  40 -13.113  -4.738   6.452
  285   2HB   GLU  40          2HB       GLU  40 -12.979  -4.002   4.884
  286   1HG   GLU  40          1HG       GLU  40 -11.445  -5.623   4.086
  287   2HG   GLU  40          2HG       GLU  40 -10.677  -5.859   5.645
  288    H    GLU  41           H        GLU  41 -13.284  -2.042   7.597
  289    HA   GLU  41           HA       GLU  41 -14.019   0.067   5.856
  290   1HB   GLU  41          1HB       GLU  41 -15.025  -0.831   8.135
  291   2HB   GLU  41          2HB       GLU  41 -14.189   0.512   8.853
  292   1HG   GLU  41          1HG       GLU  41 -15.556   2.161   7.611
  293   2HG   GLU  41          2HG       GLU  41 -16.198   0.937   6.531
  294    H    ASP  42           H        ASP  42 -11.271   0.117   8.014
  295    HA   ASP  42           HA       ASP  42 -10.471   2.976   7.666
  296   1HB   ASP  42          1HB       ASP  42  -8.961   0.441   8.550
  297   2HB   ASP  42          2HB       ASP  42  -8.167   2.004   8.415
  298    H    ILE  43           H        ILE  43  -9.827  -0.018   5.855
  299    HA   ILE  43           HA       ILE  43  -7.659   1.127   4.129
  300    HB   ILE  43           HB       ILE  43  -9.215  -1.489   4.044
  301   1HG1  ILE  43          1HG1      ILE  43  -6.159  -1.284   3.985
  302   2HG1  ILE  43          2HG1      ILE  43  -6.977  -0.964   5.491
  303   1HG2  ILE  43          1HG2      ILE  43  -8.950  -0.846   1.617
  304   2HG2  ILE  43          2HG2      ILE  43  -7.214  -0.561   1.854
  305   3HG2  ILE  43          3HG2      ILE  43  -7.895  -2.202   1.988
  306   1HD1  ILE  43          1HD1      ILE  43  -8.108  -3.228   5.448
  307   2HD1  ILE  43          2HD1      ILE  43  -7.170  -3.646   3.989
  308   3HD1  ILE  43          3HD1      ILE  43  -6.333  -3.304   5.519
  309    H    GLU  44           H        GLU  44 -11.146   0.499   3.670
  310    HA   GLU  44           HA       GLU  44 -11.217   1.485   0.841
  311   1HB   GLU  44          1HB       GLU  44 -13.861   1.451   1.674
  312   2HB   GLU  44          2HB       GLU  44 -13.022   0.217   0.785
  313   1HG   GLU  44          1HG       GLU  44 -12.657  -1.148   2.809
  314   2HG   GLU  44          2HG       GLU  44 -13.084   0.172   3.882
  315    H    ASP  45           H        ASP  45 -11.785   2.898   3.996
  316    HA   ASP  45           HA       ASP  45 -12.663   5.614   3.098
  317   1HB   ASP  45          1HB       ASP  45 -11.519   4.464   5.705
  318   2HB   ASP  45          2HB       ASP  45 -11.728   6.199   5.508
  319    H    LEU  46           H        LEU  46  -9.498   4.202   3.935
  320    HA   LEU  46           HA       LEU  46  -7.921   6.644   3.318
  321   1HB   LEU  46          1HB       LEU  46  -7.247   4.847   4.912
  322   2HB   LEU  46          2HB       LEU  46  -7.030   3.712   3.601
  323    HG   LEU  46           HG       LEU  46  -5.215   5.440   2.671
  324   1HD1  LEU  46          1HD1      LEU  46  -5.794   6.490   5.455
  325   2HD1  LEU  46          2HD1      LEU  46  -4.110   6.479   4.913
  326   3HD1  LEU  46          3HD1      LEU  46  -5.334   7.390   3.981
  327   1HD2  LEU  46          1HD2      LEU  46  -4.928   3.474   4.982
  328   2HD2  LEU  46          2HD2      LEU  46  -4.211   3.395   3.346
  329   3HD2  LEU  46          3HD2      LEU  46  -3.543   4.495   4.588
  330    H    MET  47           H        MET  47  -8.129   3.629   1.382
  331    HA   MET  47           HA       MET  47  -6.940   4.940  -1.001
  332   1HB   MET  47          1HB       MET  47  -7.046   2.354  -0.171
  333   2HB   MET  47          2HB       MET  47  -8.436   2.315  -1.242
  334   1HG   MET  47          1HG       MET  47  -7.134   2.856  -3.221
  335   2HG   MET  47          2HG       MET  47  -5.745   3.398  -2.261
  336   1HE   MET  47          1HE       MET  47  -5.977   1.306  -4.702
  337   2HE   MET  47          2HE       MET  47  -4.398   1.779  -4.012
  338   3HE   MET  47          3HE       MET  47  -4.790   0.047  -4.215
  339    H    LYS  48           H        LYS  48 -10.134   5.193   0.177
  340    HA   LYS  48           HA       LYS  48 -11.062   6.277  -2.490
  341   1HB   LYS  48          1HB       LYS  48 -12.659   5.185  -1.026
  342   2HB   LYS  48          2HB       LYS  48 -12.299   6.199   0.337
  343   1HG   LYS  48          1HG       LYS  48 -13.473   7.365  -2.303
  344   2HG   LYS  48          2HG       LYS  48 -14.499   6.589  -1.138
  345   1HD   LYS  48          1HD       LYS  48 -13.847   8.180   0.671
  346   2HD   LYS  48          2HD       LYS  48 -12.759   9.041  -0.365
  347   1HE   LYS  48          1HE       LYS  48 -15.355   9.031  -1.744
  348   2HE   LYS  48          2HE       LYS  48 -15.699   9.309  -0.045
  349   1HZ   LYS  48          1HZ       LYS  48 -13.789  11.074  -0.134
  350   2HZ   LYS  48          2HZ       LYS  48 -13.827  11.022  -1.717
  351   3HZ   LYS  48          3HZ       LYS  48 -15.169  11.520  -0.883
  352    H    ASP  49           H        ASP  49  -9.529   7.416   0.440
  353    HA   ASP  49           HA       ASP  49  -9.864  10.371  -0.102
  354   1HB   ASP  49          1HB       ASP  49  -9.688   9.669   2.238
  355   2HB   ASP  49          2HB       ASP  49  -8.173   8.823   1.957
  356    H    SER  50           H        SER  50  -7.015   8.198  -0.135
  357    HA   SER  50           HA       SER  50  -5.302  10.162  -1.579
  358   1HB   SER  50          1HB       SER  50  -4.517   7.222  -1.348
  359   2HB   SER  50          2HB       SER  50  -3.511   8.657  -1.179
  360    HG   SER  50           HG       SER  50  -4.283   7.331   0.758
  361    H    ASP  51           H        ASP  51  -7.226   7.358  -2.669
  362    HA   ASP  51           HA       ASP  51  -6.506   7.377  -5.442
  363   1HB   ASP  51          1HB       ASP  51  -8.009   5.706  -4.376
  364   2HB   ASP  51          2HB       ASP  51  -9.275   6.907  -4.159
  365    H    LYS  52           H        LYS  52  -7.068   8.499  -7.271
  366    HA   LYS  52           HA       LYS  52  -8.045  11.366  -6.804
  367   1HB   LYS  52          1HB       LYS  52  -6.654  11.843  -8.941
  368   2HB   LYS  52          2HB       LYS  52  -5.814  11.721  -7.426
  369   1HG   LYS  52          1HG       LYS  52  -6.020   9.127  -9.054
  370   2HG   LYS  52          2HG       LYS  52  -5.146  10.414  -9.824
  371   1HD   LYS  52          1HD       LYS  52  -3.285   9.860  -8.721
  372   2HD   LYS  52          2HD       LYS  52  -3.949  10.477  -7.245
  373   1HE   LYS  52          1HE       LYS  52  -2.994   8.038  -7.174
  374   2HE   LYS  52          2HE       LYS  52  -4.595   8.249  -6.467
  375   1HZ   LYS  52          1HZ       LYS  52  -4.364   7.408  -9.386
  376   2HZ   LYS  52          2HZ       LYS  52  -4.370   6.321  -8.169
  377   3HZ   LYS  52          3HZ       LYS  52  -5.665   7.208  -8.380
  378    H    ASN  53           H        ASN  53  -7.564  10.246 -10.036
  379    HA   ASN  53           HA       ASN  53 -10.338  10.857 -10.739
  380   1HB   ASN  53          1HB       ASN  53  -9.567  10.852 -13.002
  381   2HB   ASN  53          2HB       ASN  53  -8.146  11.281 -12.092
  382   1HD2  ASN  53          1HD2      ASN  53  -7.985   8.067 -14.457
  383   2HD2  ASN  53          2HD2      ASN  53  -9.431   9.170 -14.386
  384    H    ASN  54           H        ASN  54  -9.643   8.202  -9.251
  385    HA   ASN  54           HA       ASN  54 -10.331   5.912  -9.130
  386   1HB   ASN  54          1HB       ASN  54 -12.495   7.078 -10.989
  387   2HB   ASN  54          2HB       ASN  54 -12.380   5.348 -10.822
  388   1HD2  ASN  54          1HD2      ASN  54 -13.060   6.682  -7.104
  389   2HD2  ASN  54          2HD2      ASN  54 -11.463   6.979  -7.933
  390    H    ASP  55           H        ASP  55  -8.134   6.614 -10.750
  391    HA   ASP  55           HA       ASP  55  -8.060   3.984 -12.328
  392   1HB   ASP  55          1HB       ASP  55  -7.244   5.958 -13.623
  393   2HB   ASP  55          2HB       ASP  55  -6.061   6.338 -12.380
  394    H    GLY  56           H        GLY  56  -8.281   3.019 -10.021
  395   1HA   GLY  56          1HA       GLY  56  -6.340   3.953  -7.899
  396   2HA   GLY  56          2HA       GLY  56  -7.683   2.829  -7.648
  397    H    ARG  57           H        ARG  57  -5.665   1.806 -10.284
  398    HA   ARG  57           HA       ARG  57  -4.019  -0.034  -8.620
  399   1HB   ARG  57          1HB       ARG  57  -4.932  -0.312 -11.067
  400   2HB   ARG  57          2HB       ARG  57  -3.540   0.645 -11.573
  401   1HG   ARG  57          1HG       ARG  57  -2.441  -1.385 -11.693
  402   2HG   ARG  57          2HG       ARG  57  -2.273  -1.247  -9.945
  403   1HD   ARG  57          1HD       ARG  57  -4.095  -2.783  -9.515
  404   2HD   ARG  57          2HD       ARG  57  -4.838  -2.479 -11.084
  405    HE   ARG  57           HE       ARG  57  -2.060  -3.598 -11.386
  406   1HH1  ARG  57          2HH1      ARG  57  -5.378  -4.545 -11.068
  407   2HH1  ARG  57          1HH1      ARG  57  -4.994  -6.253 -11.638
  408   1HH2  ARG  57          1HH2      ARG  57  -1.701  -5.426 -12.079
  409   2HH2  ARG  57          2HH2      ARG  57  -2.996  -6.714 -12.217
  410    H    ILE  58           H        ILE  58  -2.092   0.234  -7.718
  411    HA   ILE  58           HA       ILE  58  -1.076   3.095  -7.710
  412    HB   ILE  58           HB       ILE  58  -1.091   0.908  -5.580
  413   1HG1  ILE  58          1HG1      ILE  58  -2.363   3.722  -5.703
  414   2HG1  ILE  58          2HG1      ILE  58  -3.204   2.198  -5.749
  415   1HG2  ILE  58          1HG2      ILE  58   1.150   2.071  -5.382
  416   2HG2  ILE  58          2HG2      ILE  58   0.344   3.651  -5.312
  417   3HG2  ILE  58          3HG2      ILE  58   0.126   2.464  -4.005
  418   1HD1  ILE  58          1HD1      ILE  58  -2.483   1.637  -3.383
  419   2HD1  ILE  58          2HD1      ILE  58  -1.730   3.248  -3.259
  420   3HD1  ILE  58          3HD1      ILE  58  -3.484   3.105  -3.508
  421    H    ASP  59           H        ASP  59   1.036   3.663  -7.970
  422    HA   ASP  59           HA       ASP  59   3.160   1.488  -8.310
  423   1HB   ASP  59          1HB       ASP  59   4.329   3.111  -9.804
  424   2HB   ASP  59          2HB       ASP  59   2.689   2.790 -10.352
  425    H    PHE  60           H        PHE  60   5.472   2.932  -8.103
  426    HA   PHE  60           HA       PHE  60   5.939   2.413  -5.239
  427   1HB   PHE  60          1HB       PHE  60   7.583   2.149  -7.245
  428   2HB   PHE  60          2HB       PHE  60   7.872   3.853  -7.150
  429    HD1  PHE  60           HD1      PHE  60   8.105   0.764  -5.012
  430    HD2  PHE  60           HD2      PHE  60   9.521   4.770  -5.645
  431    HE1  PHE  60           HE1      PHE  60   9.839   0.418  -3.308
  432    HE2  PHE  60           HE2      PHE  60  11.245   4.424  -3.911
  433    HZ   PHE  60           HZ       PHE  60  11.394   2.256  -2.724
  434    H    ASP  61           H        ASP  61   5.255   5.376  -6.943
  435    HA   ASP  61           HA       ASP  61   6.188   7.457  -5.053
  436   1HB   ASP  61          1HB       ASP  61   5.457   8.372  -7.120
  437   2HB   ASP  61          2HB       ASP  61   4.175   7.196  -7.333
  438    H    GLU  62           H        GLU  62   2.846   6.813  -5.679
  439    HA   GLU  62           HA       GLU  62   1.359   7.298  -3.313
  440   1HB   GLU  62          1HB       GLU  62   0.996   4.836  -5.080
  441   2HB   GLU  62          2HB       GLU  62  -0.185   5.457  -3.966
  442   1HG   GLU  62          1HG       GLU  62  -0.493   7.533  -5.354
  443   2HG   GLU  62          2HG       GLU  62   0.833   7.082  -6.409
  444    H    PHE  63           H        PHE  63   3.622   4.605  -3.682
  445    HA   PHE  63           HA       PHE  63   2.768   3.039  -1.253
  446   1HB   PHE  63          1HB       PHE  63   4.095   2.151  -3.280
  447   2HB   PHE  63          2HB       PHE  63   5.477   3.023  -2.710
  448    HD1  PHE  63           HD1      PHE  63   3.114   0.336  -1.445
  449    HD2  PHE  63           HD2      PHE  63   7.038   2.081  -1.178
  450    HE1  PHE  63           HE1      PHE  63   3.812  -1.447   0.068
  451    HE2  PHE  63           HE2      PHE  63   7.744   0.233   0.285
  452    HZ   PHE  63           HZ       PHE  63   6.156  -1.573   0.861
  453    H    LEU  64           H        LEU  64   5.559   5.174  -1.899
  454    HA   LEU  64           HA       LEU  64   6.461   5.668   0.815
  455   1HB   LEU  64          1HB       LEU  64   6.565   7.460  -1.666
  456   2HB   LEU  64          2HB       LEU  64   7.351   7.904  -0.171
  457    HG   LEU  64           HG       LEU  64   8.012   5.247  -1.563
  458   1HD1  LEU  64          1HD1      LEU  64   9.243   8.029  -2.139
  459   2HD1  LEU  64          2HD1      LEU  64   9.949   6.474  -2.658
  460   3HD1  LEU  64          3HD1      LEU  64   8.362   6.959  -3.264
  461   1HD2  LEU  64          1HD2      LEU  64   9.609   7.033   0.416
  462   2HD2  LEU  64          2HD2      LEU  64   8.926   5.414   0.744
  463   3HD2  LEU  64          3HD2      LEU  64  10.258   5.592  -0.405
  464    H    LYS  65           H        LYS  65   3.705   7.068  -0.842
  465    HA   LYS  65           HA       LYS  65   3.500   9.464   0.956
  466   1HB   LYS  65          1HB       LYS  65   3.017  10.032  -1.179
  467   2HB   LYS  65          2HB       LYS  65   2.548   8.417  -1.671
  468   1HG   LYS  65          1HG       LYS  65   0.363   9.151  -1.755
  469   2HG   LYS  65          2HG       LYS  65   0.397   9.470  -0.011
  470   1HD   LYS  65          1HD       LYS  65   1.365  11.694  -0.316
  471   2HD   LYS  65          2HD       LYS  65   1.609  11.462  -2.050
  472   1HE   LYS  65          1HE       LYS  65  -1.210  11.469  -0.740
  473   2HE   LYS  65          2HE       LYS  65  -0.376  12.978  -1.154
  474   1HZ   LYS  65          1HZ       LYS  65  -0.765  10.783  -3.245
  475   2HZ   LYS  65          2HZ       LYS  65  -1.820  12.011  -3.051
  476   3HZ   LYS  65          3HZ       LYS  65  -0.319  12.347  -3.521
  477    H    MET  66           H        MET  66   1.108   6.781   0.298
  478    HA   MET  66           HA       MET  66  -0.167   7.025   2.920
  479   1HB   MET  66          1HB       MET  66  -0.528   4.403   1.718
  480   2HB   MET  66          2HB       MET  66  -1.655   5.844   1.758
  481   1HG   MET  66          1HG       MET  66  -1.299   6.402  -0.433
  482   2HG   MET  66          2HG       MET  66   0.342   5.731  -0.492
  483   1HE   MET  66          1HE       MET  66   0.014   2.921   0.894
  484   2HE   MET  66          2HE       MET  66  -0.246   1.874  -0.533
  485   3HE   MET  66          3HE       MET  66   0.950   3.204  -0.607
  486    H    MET  67           H        MET  67   2.884   5.580   2.268
  487    HA   MET  67           HA       MET  67   3.058   4.068   4.845
  488   1HB   MET  67          1HB       MET  67   5.011   5.149   2.809
  489   2HB   MET  67          2HB       MET  67   5.611   5.115   4.455
  490   1HG   MET  67          1HG       MET  67   4.282   2.553   3.520
  491   2HG   MET  67          2HG       MET  67   5.852   2.955   2.796
  492   1HE   MET  67          1HE       MET  67   5.986   0.642   3.740
  493   2HE   MET  67          2HE       MET  67   7.610   0.919   4.449
  494   3HE   MET  67          3HE       MET  67   6.302   0.213   5.448
  495    H    GLU  68           H        GLU  68   4.342   7.341   4.032
  496    HA   GLU  68           HA       GLU  68   3.944   8.239   6.882
  497   1HB   GLU  68          1HB       GLU  68   6.220   6.890   6.446
  498   2HB   GLU  68          2HB       GLU  68   6.802   8.439   5.916
  499   1HG   GLU  68          1HG       GLU  68   6.622   9.420   8.133
  500   2HG   GLU  68          2HG       GLU  68   5.478   8.215   8.696
  501    H    GLY  69           H        GLY  69   2.945   9.139   4.309
  502   1HA   GLY  69          1HA       GLY  69   3.622  12.095   4.183
  503   2HA   GLY  69          2HA       GLY  69   2.176  11.334   3.507
  504    H    VAL  70           H        VAL  70   0.824  10.248   5.470
  505    HA   VAL  70           HA       VAL  70   0.456  12.315   7.719
  506    HB   VAL  70           HB       VAL  70  -1.113  12.242   5.432
  507   1HG1  VAL  70          1HG1      VAL  70  -2.697  10.716   7.622
  508   2HG1  VAL  70          2HG1      VAL  70  -3.414  11.434   6.157
  509   3HG1  VAL  70          3HG1      VAL  70  -2.271  10.098   6.008
  510   1HG2  VAL  70          1HG2      VAL  70  -1.039  14.135   7.107
  511   2HG2  VAL  70          2HG2      VAL  70  -2.695  13.749   6.664
  512   3HG2  VAL  70          3HG2      VAL  70  -2.045  13.206   8.240
  513    H    GLN  71           H        GLN  71  -0.019  11.423   9.716
  514    HA   GLN  71           HA       GLN  71  -0.866   8.522   9.886
  515   1HB   GLN  71          1HB       GLN  71   0.524  10.479  11.715
  516   2HB   GLN  71          2HB       GLN  71  -0.428   9.215  12.489
  517   1HG   GLN  71          1HG       GLN  71   1.983   8.908  10.590
  518   2HG   GLN  71          2HG       GLN  71   1.881   8.361  12.253
  519   1HE2  GLN  71          1HE2      GLN  71  -0.318   5.558  10.980
  520   2HE2  GLN  71          2HE2      GLN  71  -0.651   7.044  12.029
  521   1HN   NH2  72          1HN       NH2  72  -2.833   7.754  10.771
  522   2HN   NH2  72          2HN       NH2  72  -4.172   8.819  11.278
   
  No H/Q in entry =         522
  Start of MODEL   27
    1   1H    ACE   1          1HH3      ACE   1  20.069  10.320   0.752
    2   2H    ACE   1          2HH3      ACE   1  19.642  11.964   1.348
    3   3H    ACE   1          3HH3      ACE   1  20.236  10.713   2.477
    4    H    LYS   2           H        LYS   2  17.619  11.067   0.060
    5    HA   LYS   2           HA       LYS   2  15.505   9.751   1.735
    6   1HB   LYS   2          1HB       LYS   2  15.700  10.923  -0.968
    7   2HB   LYS   2          2HB       LYS   2  14.803   9.421  -1.031
    8   1HG   LYS   2          1HG       LYS   2  14.145  12.057   0.466
    9   2HG   LYS   2          2HG       LYS   2  13.169  11.212  -0.708
   10   1HD   LYS   2          1HD       LYS   2  13.226   9.268   1.272
   11   2HD   LYS   2          2HD       LYS   2  13.467  10.694   2.283
   12   1HE   LYS   2          1HE       LYS   2  11.446  11.683   0.701
   13   2HE   LYS   2          2HE       LYS   2  11.012   9.967   0.594
   14   1HZ   LYS   2          1HZ       LYS   2  11.756  11.003   3.302
   15   2HZ   LYS   2          2HZ       LYS   2  10.381  11.564   2.807
   16   3HZ   LYS   2          3HZ       LYS   2  10.589   9.926   2.999
   17    H    SER   3           H        SER   3  15.120   7.618   1.939
   18    HA   SER   3           HA       SER   3  16.948   5.582   0.719
   19   1HB   SER   3          1HB       SER   3  14.603   5.092   2.622
   20   2HB   SER   3          2HB       SER   3  16.016   4.086   2.415
   21    HG   SER   3           HG       SER   3  17.194   5.388   3.605
   22    H    GLU   4           H        GLU   4  16.616   4.966  -1.288
   23    HA   GLU   4           HA       GLU   4  13.811   4.254  -2.272
   24   1HB   GLU   4          1HB       GLU   4  14.185   4.782  -4.401
   25   2HB   GLU   4          2HB       GLU   4  15.184   5.952  -3.573
   26   1HG   GLU   4          1HG       GLU   4  16.789   5.393  -5.154
   27   2HG   GLU   4          2HG       GLU   4  17.102   3.970  -4.168
   28    H    GLU   5           H        GLU   5  17.110   2.994  -2.764
   29    HA   GLU   5           HA       GLU   5  16.423   0.599  -3.970
   30   1HB   GLU   5          1HB       GLU   5  18.640   1.000  -4.128
   31   2HB   GLU   5          2HB       GLU   5  18.837   1.496  -2.475
   32   1HG   GLU   5          1HG       GLU   5  18.944  -0.909  -1.712
   33   2HG   GLU   5          2HG       GLU   5  18.580  -1.479  -3.330
   34    H    GLU   6           H        GLU   6  16.282   1.020  -0.483
   35    HA   GLU   6           HA       GLU   6  15.742  -1.797   0.134
   36   1HB   GLU   6          1HB       GLU   6  16.551   0.381   1.580
   37   2HB   GLU   6          2HB       GLU   6  14.910   0.272   2.141
   38   1HG   GLU   6          1HG       GLU   6  15.270  -1.871   3.216
   39   2HG   GLU   6          2HG       GLU   6  16.669  -2.261   2.232
   40    H    LEU   7           H        LEU   7  13.459   0.953   0.209
   41    HA   LEU   7           HA       LEU   7  10.924  -0.634   0.235
   42   1HB   LEU   7          1HB       LEU   7  11.530   2.208  -0.750
   43   2HB   LEU   7          2HB       LEU   7   9.925   1.519  -0.721
   44    HG   LEU   7           HG       LEU   7  11.508   2.709   1.495
   45   1HD1  LEU   7          1HD1      LEU   7   9.359   3.646   0.664
   46   2HD1  LEU   7          2HD1      LEU   7   8.489   2.154   1.104
   47   3HD1  LEU   7          3HD1      LEU   7   9.210   3.186   2.366
   48   1HD2  LEU   7          1HD2      LEU   7   9.932   0.092   2.077
   49   2HD2  LEU   7          2HD2      LEU   7  11.672   0.375   2.354
   50   3HD2  LEU   7          3HD2      LEU   7  10.481   1.257   3.312
   51    H    ALA   8           H        ALA   8  13.226   0.207  -2.327
   52    HA   ALA   8           HA       ALA   8  11.779  -0.905  -4.562
   53   1HB   ALA   8          1HB       ALA   8  14.815  -0.865  -3.960
   54   2HB   ALA   8          2HB       ALA   8  14.093  -1.169  -5.553
   55   3HB   ALA   8          3HB       ALA   8  13.868   0.402  -4.775
   56    H    ASN   9           H        ASN   9  14.509  -2.853  -3.242
   57    HA   ASN   9           HA       ASN   9  13.732  -5.477  -3.526
   58   1HB   ASN   9          1HB       ASN   9  14.818  -4.177  -0.937
   59   2HB   ASN   9          2HB       ASN   9  14.668  -5.903  -1.112
   60   1HD2  ASN   9          1HD2      ASN   9  17.999  -5.759  -2.302
   61   2HD2  ASN   9          2HD2      ASN   9  16.860  -6.287  -0.984
   62    H    ALA  10           H        ALA  10  12.201  -3.429  -1.025
   63    HA   ALA  10           HA       ALA  10  10.587  -5.632   0.213
   64   1HB   ALA  10          1HB       ALA  10  11.455  -3.666   1.495
   65   2HB   ALA  10          2HB       ALA  10  10.435  -2.556   0.543
   66   3HB   ALA  10          3HB       ALA  10   9.687  -3.765   1.609
   67    H    PHE  11           H        PHE  11   9.668  -2.794  -1.805
   68    HA   PHE  11           HA       PHE  11   6.898  -3.513  -2.253
   69   1HB   PHE  11          1HB       PHE  11   7.866  -1.258  -2.639
   70   2HB   PHE  11          2HB       PHE  11   8.808  -1.841  -3.969
   71    HD1  PHE  11           HD1      PHE  11   6.781  -3.501  -5.513
   72    HD2  PHE  11           HD2      PHE  11   6.384   0.365  -3.667
   73    HE1  PHE  11           HE1      PHE  11   4.973  -2.928  -7.080
   74    HE2  PHE  11           HE2      PHE  11   4.587   0.926  -5.256
   75    HZ   PHE  11           HZ       PHE  11   3.916  -0.704  -6.996
   76    H    ARG  12           H        ARG  12   9.598  -4.107  -4.591
   77    HA   ARG  12           HA       ARG  12   8.401  -5.956  -6.325
   78   1HB   ARG  12          1HB       ARG  12  10.912  -5.099  -6.082
   79   2HB   ARG  12          2HB       ARG  12  11.179  -6.615  -5.229
   80   1HG   ARG  12          1HG       ARG  12  10.560  -7.952  -7.192
   81   2HG   ARG  12          2HG       ARG  12   9.853  -6.563  -8.027
   82   1HD   ARG  12          1HD       ARG  12  12.110  -5.491  -8.271
   83   2HD   ARG  12          2HD       ARG  12  12.861  -6.810  -7.331
   84    HE   ARG  12           HE       ARG  12  11.925  -8.426  -9.201
   85   1HH1  ARG  12          2HH1      ARG  12  12.562  -5.104  -9.956
   86   2HH1  ARG  12          1HH1      ARG  12  12.726  -5.457 -11.744
   87   1HH2  ARG  12          1HH2      ARG  12  12.126  -8.802 -11.198
   88   2HH2  ARG  12          2HH2      ARG  12  12.491  -7.479 -12.399
   89    H    ILE  13           H        ILE  13   9.448  -6.726  -3.020
   90    HA   ILE  13           HA       ILE  13   9.100  -9.678  -3.279
   91    HB   ILE  13           HB       ILE  13   9.733  -7.853  -0.914
   92   1HG1  ILE  13          1HG1      ILE  13  11.509  -8.785  -2.789
   93   2HG1  ILE  13          2HG1      ILE  13  11.943  -8.433  -1.138
   94   1HG2  ILE  13          1HG2      ILE  13   8.353  -9.739   0.043
   95   2HG2  ILE  13          2HG2      ILE  13   9.395 -10.940  -0.755
   96   3HG2  ILE  13          3HG2      ILE  13  10.023  -9.914   0.549
   97   1HD1  ILE  13          1HD1      ILE  13  11.686 -10.840  -0.450
   98   2HD1  ILE  13          2HD1      ILE  13  11.303 -11.274  -2.135
   99   3HD1  ILE  13          3HD1      ILE  13  12.898 -10.610  -1.731
  100    H    PHE  14           H        PHE  14   7.123  -7.019  -2.138
  101    HA   PHE  14           HA       PHE  14   4.834  -8.485  -0.922
  102   1HB   PHE  14          1HB       PHE  14   5.123  -5.752  -2.314
  103   2HB   PHE  14          2HB       PHE  14   3.560  -6.352  -1.867
  104    HD1  PHE  14           HD1      PHE  14   5.682  -7.620   0.667
  105    HD2  PHE  14           HD2      PHE  14   3.928  -3.934  -0.669
  106    HE1  PHE  14           HE1      PHE  14   5.882  -6.698   2.942
  107    HE2  PHE  14           HE2      PHE  14   4.151  -3.009   1.603
  108    HZ   PHE  14           HZ       PHE  14   5.093  -4.406   3.424
  109    H    ASP  15           H        ASP  15   5.724  -7.627  -4.253
  110    HA   ASP  15           HA       ASP  15   3.049  -7.949  -5.345
  111   1HB   ASP  15          1HB       ASP  15   4.767  -6.368  -6.210
  112   2HB   ASP  15          2HB       ASP  15   5.775  -7.695  -6.768
  113    H    LYS  16           H        LYS  16   2.494  -9.263  -7.284
  114    HA   LYS  16           HA       LYS  16   3.643 -12.085  -7.236
  115   1HB   LYS  16          1HB       LYS  16   1.523 -12.848  -7.231
  116   2HB   LYS  16          2HB       LYS  16   0.852 -11.253  -7.426
  117   1HG   LYS  16          1HG       LYS  16   0.183 -11.793  -9.568
  118   2HG   LYS  16          2HG       LYS  16   1.843 -12.136 -10.039
  119   1HD   LYS  16          1HD       LYS  16   0.343 -14.110 -10.424
  120   2HD   LYS  16          2HD       LYS  16   1.698 -14.451  -9.351
  121   1HE   LYS  16          1HE       LYS  16  -0.807 -13.668  -7.886
  122   2HE   LYS  16          2HE       LYS  16  -0.898 -15.220  -8.743
  123   1HZ   LYS  16          1HZ       LYS  16   1.588 -15.498  -7.639
  124   2HZ   LYS  16          2HZ       LYS  16   0.966 -14.447  -6.526
  125   3HZ   LYS  16          3HZ       LYS  16   0.228 -15.873  -6.794
  126    H    ASN  17           H        ASN  17   1.970 -10.220  -9.777
  127    HA   ASN  17           HA       ASN  17   3.742 -11.433 -11.795
  128   1HB   ASN  17          1HB       ASN  17   1.379 -11.400 -12.207
  129   2HB   ASN  17          2HB       ASN  17   1.243  -9.678 -11.976
  130   1HD2  ASN  17          1HD2      ASN  17   1.485  -9.112 -15.416
  131   2HD2  ASN  17          2HD2      ASN  17   0.766  -8.660 -13.836
  132    H    ALA  18           H        ALA  18   3.163  -7.989 -10.940
  133    HA   ALA  18           HA       ALA  18   4.940  -6.411 -10.469
  134   1HB   ALA  18          1HB       ALA  18   6.303  -8.490 -10.040
  135   2HB   ALA  18          2HB       ALA  18   6.712  -8.572 -11.768
  136   3HB   ALA  18          3HB       ALA  18   7.287  -7.206 -10.796
  137    H    ASP  19           H        ASP  19   3.406  -5.750 -12.588
  138    HA   ASP  19           HA       ASP  19   5.287  -4.445 -14.595
  139   1HB   ASP  19          1HB       ASP  19   2.289  -3.841 -14.323
  140   2HB   ASP  19          2HB       ASP  19   3.317  -3.664 -15.739
  141    H    GLY  20           H        GLY  20   5.352  -3.996 -11.601
  142   1HA   GLY  20          1HA       GLY  20   6.412  -2.065 -10.506
  143   2HA   GLY  20          2HA       GLY  20   5.697  -1.006 -11.728
  144    H    TYR  21           H        TYR  21   3.218  -2.899 -10.488
  145    HA   TYR  21           HA       TYR  21   2.208  -0.489  -8.849
  146   1HB   TYR  21          1HB       TYR  21   0.529  -2.379 -10.619
  147   2HB   TYR  21          2HB       TYR  21  -0.104  -1.102  -9.623
  148    HD1  TYR  21           HD1      TYR  21   0.073   1.272 -10.280
  149    HD2  TYR  21           HD2      TYR  21   1.697  -1.814 -12.798
  150    HE1  TYR  21           HE1      TYR  21   0.218   2.864 -12.154
  151    HE2  TYR  21           HE2      TYR  21   1.850  -0.189 -14.655
  152    HH   TYR  21           HH       TYR  21   1.474   3.182 -14.184
  153    H    ILE  22           H        ILE  22   0.804  -0.932  -7.056
  154    HA   ILE  22           HA       ILE  22   0.252  -3.870  -6.350
  155    HB   ILE  22           HB       ILE  22   0.610  -1.454  -4.509
  156   1HG1  ILE  22          1HG1      ILE  22   2.142  -4.118  -4.765
  157   2HG1  ILE  22          2HG1      ILE  22   2.766  -2.505  -4.980
  158   1HG2  ILE  22          1HG2      ILE  22  -1.387  -2.765  -3.660
  159   2HG2  ILE  22          2HG2      ILE  22  -0.430  -4.259  -3.659
  160   3HG2  ILE  22          3HG2      ILE  22  -0.039  -2.922  -2.547
  161   1HD1  ILE  22          1HD1      ILE  22   2.406  -1.977  -2.514
  162   2HD1  ILE  22          2HD1      ILE  22   1.962  -3.685  -2.260
  163   3HD1  ILE  22          3HD1      ILE  22   3.589  -3.269  -2.838
  164    H    ASP  23           H        ASP  23  -1.868  -4.446  -5.661
  165    HA   ASP  23           HA       ASP  23  -4.012  -2.639  -6.889
  166   1HB   ASP  23          1HB       ASP  23  -4.878  -4.449  -8.248
  167   2HB   ASP  23          2HB       ASP  23  -3.144  -4.381  -8.531
  168    H    ILE  24           H        ILE  24  -6.288  -3.743  -6.478
  169    HA   ILE  24           HA       ILE  24  -6.690  -3.221  -3.547
  170    HB   ILE  24           HB       ILE  24  -8.301  -2.595  -5.532
  171   1HG1  ILE  24          1HG1      ILE  24 -10.402  -3.105  -3.843
  172   2HG1  ILE  24          2HG1      ILE  24  -9.116  -3.438  -2.716
  173   1HG2  ILE  24          1HG2      ILE  24  -8.712  -4.935  -6.423
  174   2HG2  ILE  24          2HG2      ILE  24  -9.426  -5.415  -4.871
  175   3HG2  ILE  24          3HG2      ILE  24 -10.222  -4.204  -5.908
  176   1HD1  ILE  24          1HD1      ILE  24  -8.092  -1.143  -3.126
  177   2HD1  ILE  24          2HD1      ILE  24  -9.519  -0.729  -4.108
  178   3HD1  ILE  24          3HD1      ILE  24  -9.714  -1.113  -2.385
  179    H    GLU  25           H        GLU  25  -6.629  -6.063  -5.633
  180    HA   GLU  25           HA       GLU  25  -7.557  -7.970  -3.510
  181   1HB   GLU  25          1HB       GLU  25  -7.132  -8.072  -6.406
  182   2HB   GLU  25          2HB       GLU  25  -6.446  -9.479  -5.651
  183   1HG   GLU  25          1HG       GLU  25  -8.546 -10.399  -5.116
  184   2HG   GLU  25          2HG       GLU  25  -9.277  -8.850  -4.739
  185    H    GLU  26           H        GLU  26  -4.469  -6.798  -4.599
  186    HA   GLU  26           HA       GLU  26  -2.866  -8.607  -2.820
  187   1HB   GLU  26          1HB       GLU  26  -2.139  -6.093  -4.373
  188   2HB   GLU  26          2HB       GLU  26  -1.020  -6.827  -3.265
  189   1HG   GLU  26          1HG       GLU  26  -1.395  -9.062  -4.737
  190   2HG   GLU  26          2HG       GLU  26  -2.050  -7.963  -5.938
  191    H    LEU  27           H        LEU  27  -4.711  -5.750  -2.337
  192    HA   LEU  27           HA       LEU  27  -3.059  -4.433  -0.307
  193   1HB   LEU  27          1HB       LEU  27  -4.648  -3.277  -1.826
  194   2HB   LEU  27          2HB       LEU  27  -6.015  -4.020  -1.036
  195    HG   LEU  27           HG       LEU  27  -4.345  -2.537   0.934
  196   1HD1  LEU  27          1HD1      LEU  27  -3.784  -1.139  -1.057
  197   2HD1  LEU  27          2HD1      LEU  27  -5.517  -0.892  -1.416
  198   3HD1  LEU  27          3HD1      LEU  27  -4.791  -0.253   0.087
  199   1HD2  LEU  27          1HD2      LEU  27  -7.308  -2.179   0.058
  200   2HD2  LEU  27          2HD2      LEU  27  -6.725  -3.210   1.399
  201   3HD2  LEU  27          3HD2      LEU  27  -6.532  -1.455   1.494
  202    H    GLY  28           H        GLY  28  -6.332  -5.765   0.310
  203   1HA   GLY  28          1HA       GLY  28  -6.174  -5.639   3.286
  204   2HA   GLY  28          2HA       GLY  28  -7.377  -6.540   2.354
  205    H    GLU  29           H        GLU  29  -5.311  -8.103   0.922
  206    HA   GLU  29           HA       GLU  29  -4.695 -10.375   2.708
  207   1HB   GLU  29          1HB       GLU  29  -4.790 -10.923   0.457
  208   2HB   GLU  29          2HB       GLU  29  -3.846  -9.565  -0.074
  209   1HG   GLU  29          1HG       GLU  29  -1.801 -10.829   1.190
  210   2HG   GLU  29          2HG       GLU  29  -2.842 -12.236   1.076
  211    H    ILE  30           H        ILE  30  -2.536  -7.790   1.515
  212    HA   ILE  30           HA       ILE  30  -0.178  -8.346   3.215
  213    HB   ILE  30           HB       ILE  30  -1.178  -5.858   1.788
  214   1HG1  ILE  30          1HG1      ILE  30   1.341  -7.611   1.519
  215   2HG1  ILE  30          2HG1      ILE  30   0.092  -7.340   0.334
  216   1HG2  ILE  30          1HG2      ILE  30  -0.264  -4.965   3.962
  217   2HG2  ILE  30          2HG2      ILE  30   1.257  -5.861   3.711
  218   3HG2  ILE  30          3HG2      ILE  30   0.791  -4.523   2.623
  219   1HD1  ILE  30          1HD1      ILE  30   2.086  -5.121   1.151
  220   2HD1  ILE  30          2HD1      ILE  30   2.110  -6.107  -0.327
  221   3HD1  ILE  30          3HD1      ILE  30   0.769  -4.979  -0.043
  222    H    LEU  31           H        LEU  31  -2.733  -5.866   3.745
  223    HA   LEU  31           HA       LEU  31  -1.675  -5.247   6.486
  224   1HB   LEU  31          1HB       LEU  31  -4.332  -4.149   5.579
  225   2HB   LEU  31          2HB       LEU  31  -3.057  -3.366   6.480
  226    HG   LEU  31           HG       LEU  31  -2.011  -3.908   3.814
  227   1HD1  LEU  31          1HD1      LEU  31  -4.795  -2.557   3.829
  228   2HD1  LEU  31          2HD1      LEU  31  -3.647  -2.542   2.463
  229   3HD1  LEU  31          3HD1      LEU  31  -4.324  -4.076   3.016
  230   1HD2  LEU  31          1HD2      LEU  31  -2.833  -1.267   5.222
  231   2HD2  LEU  31          2HD2      LEU  31  -1.205  -2.000   5.190
  232   3HD2  LEU  31          3HD2      LEU  31  -1.908  -1.364   3.700
  233    H    ARG  32           H        ARG  32  -3.645  -7.791   5.511
  234    HA   ARG  32           HA       ARG  32  -4.545  -8.163   8.399
  235   1HB   ARG  32          1HB       ARG  32  -6.147  -8.540   6.617
  236   2HB   ARG  32          2HB       ARG  32  -5.053  -9.587   5.716
  237   1HG   ARG  32          1HG       ARG  32  -6.569 -11.118   6.741
  238   2HG   ARG  32          2HG       ARG  32  -5.177 -11.172   7.838
  239   1HD   ARG  32          1HD       ARG  32  -6.250  -9.786   9.513
  240   2HD   ARG  32          2HD       ARG  32  -7.446  -9.149   8.362
  241    HE   ARG  32           HE       ARG  32  -7.631 -12.125   8.623
  242   1HH1  ARG  32          2HH1      ARG  32  -8.735  -9.158  10.053
  243   2HH1  ARG  32          1HH1      ARG  32 -10.177  -9.977  10.819
  244   1HH2  ARG  32          1HH2      ARG  32  -9.262 -13.014   9.508
  245   2HH2  ARG  32          2HH2      ARG  32 -10.431 -12.057  10.529
  246    H    ALA  33           H        ALA  33  -2.454  -9.802   6.000
  247    HA   ALA  33           HA       ALA  33  -1.377 -11.699   8.070
  248   1HB   ALA  33          1HB       ALA  33  -2.193 -12.499   5.858
  249   2HB   ALA  33          2HB       ALA  33  -0.962 -11.523   5.012
  250   3HB   ALA  33          3HB       ALA  33  -0.474 -12.877   6.053
  251    H    THR  34           H        THR  34   0.897 -12.315   8.117
  252    HA   THR  34           HA       THR  34   2.280  -9.946   9.181
  253    HB   THR  34           HB       THR  34   4.073 -11.753   9.877
  254    HG1  THR  34           HG1      THR  34   3.659 -13.582   8.982
  255   1HG2  THR  34          2HG2      THR  34   2.239 -10.728  11.375
  256   2HG2  THR  34          3HG2      THR  34   1.159 -12.063  10.893
  257   3HG2  THR  34          1HG2      THR  34   2.638 -12.411  11.807
  258    H    GLY  35           H        GLY  35   4.878  -9.859   8.892
  259   1HA   GLY  35          1HA       GLY  35   5.496  -9.603   5.952
  260   2HA   GLY  35          2HA       GLY  35   5.136  -8.052   6.719
  261   1HN   NH2  36          1HN       NH2  36   7.630  -8.555   5.451
  262   2HN   NH2  36          2HN       NH2  36   8.913  -8.547   6.691
  263   1H    ACE  37          1HH3      ACE  37 -16.749  -1.352  13.386
  264   2H    ACE  37          2HH3      ACE  37 -15.991  -2.377  14.653
  265   3H    ACE  37          3HH3      ACE  37 -15.827  -0.603  14.717
  266    H    VAL  38           H        VAL  38 -14.852  -3.464  12.788
  267    HA   VAL  38           HA       VAL  38 -13.083  -1.674  11.020
  268    HB   VAL  38           HB       VAL  38 -11.436  -3.702  11.047
  269   1HG1  VAL  38          1HG1      VAL  38 -11.686  -1.824  13.509
  270   2HG1  VAL  38          2HG1      VAL  38 -10.235  -2.779  13.124
  271   3HG1  VAL  38          3HG1      VAL  38 -10.771  -1.506  12.024
  272   1HG2  VAL  38          1HG2      VAL  38 -12.827  -5.332  12.398
  273   2HG2  VAL  38          2HG2      VAL  38 -11.309  -4.952  13.241
  274   3HG2  VAL  38          3HG2      VAL  38 -12.835  -4.199  13.767
  275    H    THR  39           H        THR  39 -14.978  -1.838   9.601
  276    HA   THR  39           HA       THR  39 -15.725  -4.546   8.406
  277    HB   THR  39           HB       THR  39 -17.693  -3.281   8.788
  278    HG1  THR  39           HG1      THR  39 -17.070  -2.494   6.140
  279   1HG2  THR  39          2HG2      THR  39 -16.306  -0.839   7.473
  280   2HG2  THR  39          3HG2      THR  39 -17.992  -0.879   8.048
  281   3HG2  THR  39          1HG2      THR  39 -16.654  -1.032   9.207
  282    H    GLU  40           H        GLU  40 -15.801  -4.599   5.964
  283    HA   GLU  40           HA       GLU  40 -13.270  -3.679   4.711
  284   1HB   GLU  40          1HB       GLU  40 -15.536  -4.993   3.175
  285   2HB   GLU  40          2HB       GLU  40 -13.838  -5.001   2.805
  286   1HG   GLU  40          1HG       GLU  40 -13.988  -7.169   3.665
  287   2HG   GLU  40          2HG       GLU  40 -13.684  -6.370   5.197
  288    H    GLU  41           H        GLU  41 -16.591  -2.409   4.501
  289    HA   GLU  41           HA       GLU  41 -16.082  -0.265   2.692
  290   1HB   GLU  41          1HB       GLU  41 -18.087  -0.927   4.652
  291   2HB   GLU  41          2HB       GLU  41 -17.725   0.761   4.849
  292   1HG   GLU  41          1HG       GLU  41 -19.293   1.121   3.190
  293   2HG   GLU  41          2HG       GLU  41 -18.067   0.618   2.040
  294    H    ASP  42           H        ASP  42 -14.558  -0.683   5.711
  295    HA   ASP  42           HA       ASP  42 -13.531   2.178   5.917
  296   1HB   ASP  42          1HB       ASP  42 -13.176  -0.322   7.673
  297   2HB   ASP  42          2HB       ASP  42 -12.177   1.106   7.903
  298    H    ILE  43           H        ILE  43 -12.235  -1.086   5.194
  299    HA   ILE  43           HA       ILE  43  -9.708  -0.312   3.966
  300    HB   ILE  43           HB       ILE  43 -11.611  -2.606   3.405
  301   1HG1  ILE  43          1HG1      ILE  43 -10.166  -3.133   5.250
  302   2HG1  ILE  43          2HG1      ILE  43  -9.508  -4.004   3.891
  303   1HG2  ILE  43          1HG2      ILE  43 -10.784  -2.012   1.094
  304   2HG2  ILE  43          2HG2      ILE  43  -9.103  -2.030   1.661
  305   3HG2  ILE  43          3HG2      ILE  43 -10.063  -3.530   1.609
  306   1HD1  ILE  43          1HD1      ILE  43  -7.717  -2.251   3.534
  307   2HD1  ILE  43          2HD1      ILE  43  -8.269  -1.416   5.010
  308   3HD1  ILE  43          3HD1      ILE  43  -7.628  -3.071   5.109
  309    H    GLU  44           H        GLU  44 -12.993  -0.018   2.716
  310    HA   GLU  44           HA       GLU  44 -12.231   1.094   0.039
  311   1HB   GLU  44          1HB       GLU  44 -14.750   0.409   1.430
  312   2HB   GLU  44          2HB       GLU  44 -14.889   1.867   0.497
  313   1HG   GLU  44          1HG       GLU  44 -13.594  -0.332  -1.090
  314   2HG   GLU  44          2HG       GLU  44 -15.173  -0.796  -0.483
  315    H    ASP  45           H        ASP  45 -12.842   2.430   3.209
  316    HA   ASP  45           HA       ASP  45 -12.928   5.329   2.442
  317   1HB   ASP  45          1HB       ASP  45 -12.641   3.783   5.073
  318   2HB   ASP  45          2HB       ASP  45 -12.335   5.514   5.039
  319    H    LEU  46           H        LEU  46 -10.378   3.115   3.571
  320    HA   LEU  46           HA       LEU  46  -8.076   4.969   3.376
  321   1HB   LEU  46          1HB       LEU  46  -8.069   2.789   4.571
  322   2HB   LEU  46          2HB       LEU  46  -8.202   1.910   3.066
  323    HG   LEU  46           HG       LEU  46  -5.823   2.284   4.350
  324   1HD1  LEU  46          1HD1      LEU  46  -6.547   1.021   2.050
  325   2HD1  LEU  46          2HD1      LEU  46  -5.635   2.381   1.334
  326   3HD1  LEU  46          3HD1      LEU  46  -4.835   1.300   2.485
  327   1HD2  LEU  46          1HD2      LEU  46  -6.085   4.882   3.793
  328   2HD2  LEU  46          2HD2      LEU  46  -4.489   4.109   3.564
  329   3HD2  LEU  46          3HD2      LEU  46  -5.565   4.421   2.170
  330    H    MET  47           H        MET  47  -9.152   2.592   0.946
  331    HA   MET  47           HA       MET  47  -7.005   3.270  -0.916
  332   1HB   MET  47          1HB       MET  47  -8.047   1.016  -0.787
  333   2HB   MET  47          2HB       MET  47  -9.568   1.646  -1.398
  334   1HG   MET  47          1HG       MET  47  -8.828   0.998  -3.477
  335   2HG   MET  47          2HG       MET  47  -7.846   2.474  -3.445
  336   1HE   MET  47          1HE       MET  47  -7.353  -0.154  -5.107
  337   2HE   MET  47          2HE       MET  47  -6.254   1.251  -5.218
  338   3HE   MET  47          3HE       MET  47  -5.576  -0.382  -4.954
  339    H    LYS  48           H        LYS  48 -10.393   4.307  -0.822
  340    HA   LYS  48           HA       LYS  48 -10.183   5.839  -3.406
  341   1HB   LYS  48          1HB       LYS  48 -12.273   4.732  -1.628
  342   2HB   LYS  48          2HB       LYS  48 -12.744   6.307  -2.186
  343   1HG   LYS  48          1HG       LYS  48 -13.678   4.884  -3.877
  344   2HG   LYS  48          2HG       LYS  48 -12.197   5.381  -4.631
  345   1HD   LYS  48          1HD       LYS  48 -11.556   3.006  -3.078
  346   2HD   LYS  48          2HD       LYS  48 -12.984   2.615  -3.976
  347   1HE   LYS  48          1HE       LYS  48 -10.234   3.548  -5.099
  348   2HE   LYS  48          2HE       LYS  48 -10.977   1.969  -5.283
  349   1HZ   LYS  48          1HZ       LYS  48 -12.892   3.174  -6.573
  350   2HZ   LYS  48          2HZ       LYS  48 -11.952   4.509  -6.572
  351   3HZ   LYS  48          3HZ       LYS  48 -11.433   3.233  -7.355
  352    H    ASP  49           H        ASP  49  -9.972   6.545  -0.006
  353    HA   ASP  49           HA       ASP  49  -9.797   9.544  -0.335
  354   1HB   ASP  49          1HB       ASP  49 -10.282   8.382   1.896
  355   2HB   ASP  49          2HB       ASP  49  -8.621   7.807   1.929
  356    H    SER  50           H        SER  50  -7.486   6.821  -0.502
  357    HA   SER  50           HA       SER  50  -5.071   8.649  -0.474
  358   1HB   SER  50          1HB       SER  50  -4.585   6.683   0.728
  359   2HB   SER  50          2HB       SER  50  -5.539   5.640  -0.322
  360    HG   SER  50           HG       SER  50  -3.175   5.510  -0.467
  361    H    ASP  51           H        ASP  51  -6.849   6.631  -2.785
  362    HA   ASP  51           HA       ASP  51  -4.922   6.810  -4.968
  363   1HB   ASP  51          1HB       ASP  51  -6.613   4.968  -4.622
  364   2HB   ASP  51          2HB       ASP  51  -7.916   6.058  -5.076
  365    H    LYS  52           H        LYS  52  -4.322   8.636  -5.926
  366    HA   LYS  52           HA       LYS  52  -6.033  11.129  -5.937
  367   1HB   LYS  52          1HB       LYS  52  -3.263  10.705  -7.165
  368   2HB   LYS  52          2HB       LYS  52  -3.979  12.243  -6.795
  369   1HG   LYS  52          1HG       LYS  52  -3.560  11.970  -4.390
  370   2HG   LYS  52          2HG       LYS  52  -3.544  10.239  -4.502
  371   1HD   LYS  52          1HD       LYS  52  -1.308  10.259  -4.462
  372   2HD   LYS  52          2HD       LYS  52  -1.293  10.802  -6.108
  373   1HE   LYS  52          1HE       LYS  52   0.184  12.304  -4.810
  374   2HE   LYS  52          2HE       LYS  52  -1.235  13.251  -5.253
  375   1HZ   LYS  52          1HZ       LYS  52  -1.269  11.782  -2.620
  376   2HZ   LYS  52          2HZ       LYS  52  -0.473  13.151  -2.659
  377   3HZ   LYS  52          3HZ       LYS  52  -2.097  13.140  -2.987
  378    H    ASN  53           H        ASN  53  -4.112   9.717  -8.592
  379    HA   ASN  53           HA       ASN  53  -5.559  11.145 -10.620
  380   1HB   ASN  53          1HB       ASN  53  -4.065  10.085 -12.215
  381   2HB   ASN  53          2HB       ASN  53  -3.161  10.242 -10.735
  382   1HD2  ASN  53          1HD2      ASN  53  -2.667   6.805 -12.134
  383   2HD2  ASN  53          2HD2      ASN  53  -2.514   8.486 -12.814
  384    H    ASN  54           H        ASN  54  -6.492   8.166  -9.211
  385    HA   ASN  54           HA       ASN  54  -8.577   6.979  -9.380
  386   1HB   ASN  54          1HB       ASN  54  -9.173   9.722 -10.660
  387   2HB   ASN  54          2HB       ASN  54 -10.425   8.516 -10.552
  388   1HD2  ASN  54          1HD2      ASN  54 -10.491   8.814  -6.889
  389   2HD2  ASN  54          2HD2      ASN  54 -10.442   7.495  -8.143
  390    H    ASP  55           H        ASP  55  -7.011   5.742 -11.081
  391    HA   ASP  55           HA       ASP  55  -8.982   4.972 -13.298
  392   1HB   ASP  55          1HB       ASP  55  -7.196   4.084 -14.547
  393   2HB   ASP  55          2HB       ASP  55  -6.436   5.471 -13.778
  394    H    GLY  56           H        GLY  56  -7.083   3.523 -10.644
  395   1HA   GLY  56          1HA       GLY  56  -9.151   1.920  -9.522
  396   2HA   GLY  56          2HA       GLY  56  -8.409   0.826 -10.696
  397    H    ARG  57           H        ARG  57  -5.708   2.332  -9.950
  398    HA   ARG  57           HA       ARG  57  -5.054   0.011  -8.045
  399   1HB   ARG  57          1HB       ARG  57  -3.923   0.792 -10.755
  400   2HB   ARG  57          2HB       ARG  57  -2.818   0.070  -9.586
  401   1HG   ARG  57          1HG       ARG  57  -3.914  -2.036  -9.632
  402   2HG   ARG  57          2HG       ARG  57  -5.498  -1.342  -9.971
  403   1HD   ARG  57          1HD       ARG  57  -4.289  -0.669 -12.350
  404   2HD   ARG  57          2HD       ARG  57  -3.217  -1.992 -11.896
  405    HE   ARG  57           HE       ARG  57  -5.706  -3.177 -11.309
  406   1HH1  ARG  57          2HH1      ARG  57  -4.390  -1.854 -14.229
  407   2HH1  ARG  57          1HH1      ARG  57  -5.218  -3.149 -15.242
  408   1HH2  ARG  57          1HH2      ARG  57  -6.694  -4.471 -12.450
  409   2HH2  ARG  57          2HH2      ARG  57  -6.523  -4.528 -14.273
  410    H    ILE  58           H        ILE  58  -2.999   0.141  -6.869
  411    HA   ILE  58           HA       ILE  58  -1.870   2.923  -6.412
  412    HB   ILE  58           HB       ILE  58  -1.579   0.298  -4.881
  413   1HG1  ILE  58          1HG1      ILE  58  -2.700   3.068  -4.098
  414   2HG1  ILE  58          2HG1      ILE  58  -3.611   1.601  -4.319
  415   1HG2  ILE  58          1HG2      ILE  58   0.718   1.367  -4.879
  416   2HG2  ILE  58          2HG2      ILE  58   0.026   2.891  -4.287
  417   3HG2  ILE  58          3HG2      ILE  58   0.005   1.430  -3.271
  418   1HD1  ILE  58          1HD1      ILE  58  -2.469   0.501  -2.338
  419   2HD1  ILE  58          2HD1      ILE  58  -1.625   2.036  -2.007
  420   3HD1  ILE  58          3HD1      ILE  58  -3.399   1.962  -1.920
  421    H    ASP  59           H        ASP  59   0.235   3.508  -6.868
  422    HA   ASP  59           HA       ASP  59   2.216   1.324  -7.708
  423   1HB   ASP  59          1HB       ASP  59   3.305   2.891  -9.255
  424   2HB   ASP  59          2HB       ASP  59   1.591   2.800  -9.633
  425    H    PHE  60           H        PHE  60   4.402   3.357  -7.666
  426    HA   PHE  60           HA       PHE  60   5.324   2.404  -4.988
  427   1HB   PHE  60          1HB       PHE  60   6.612   2.479  -7.297
  428   2HB   PHE  60          2HB       PHE  60   6.948   4.138  -6.935
  429    HD1  PHE  60           HD1      PHE  60   6.977   2.575  -3.746
  430    HD2  PHE  60           HD2      PHE  60   9.312   2.851  -7.341
  431    HE1  PHE  60           HE1      PHE  60   9.028   2.089  -2.461
  432    HE2  PHE  60           HE2      PHE  60  11.338   2.311  -6.067
  433    HZ   PHE  60           HZ       PHE  60  11.209   1.925  -3.626
  434    H    ASP  61           H        ASP  61   4.747   5.607  -6.386
  435    HA   ASP  61           HA       ASP  61   5.440   7.416  -4.210
  436   1HB   ASP  61          1HB       ASP  61   2.848   7.752  -5.921
  437   2HB   ASP  61          2HB       ASP  61   4.107   8.883  -5.485
  438    H    GLU  62           H        GLU  62   2.151   6.359  -4.870
  439    HA   GLU  62           HA       GLU  62   0.816   6.615  -2.332
  440   1HB   GLU  62          1HB       GLU  62   0.317   4.116  -3.943
  441   2HB   GLU  62          2HB       GLU  62  -0.809   5.104  -3.062
  442   1HG   GLU  62          1HG       GLU  62  -0.285   6.962  -4.958
  443   2HG   GLU  62          2HG       GLU  62   0.357   5.609  -5.870
  444    H    PHE  63           H        PHE  63   3.081   3.992  -3.226
  445    HA   PHE  63           HA       PHE  63   2.535   2.171  -0.931
  446   1HB   PHE  63          1HB       PHE  63   3.716   1.553  -3.101
  447   2HB   PHE  63          2HB       PHE  63   5.082   2.507  -2.631
  448    HD1  PHE  63           HD1      PHE  63   6.271   1.948  -0.327
  449    HD2  PHE  63           HD2      PHE  63   3.856  -0.843  -2.540
  450    HE1  PHE  63           HE1      PHE  63   7.381   0.089   0.798
  451    HE2  PHE  63           HE2      PHE  63   5.010  -2.705  -1.415
  452    HZ   PHE  63           HZ       PHE  63   6.677  -2.242   0.355
  453    H    LEU  64           H        LEU  64   4.800   4.854  -1.425
  454    HA   LEU  64           HA       LEU  64   6.169   4.727   1.164
  455   1HB   LEU  64          1HB       LEU  64   5.789   7.064  -0.781
  456   2HB   LEU  64          2HB       LEU  64   6.808   7.175   0.632
  457    HG   LEU  64           HG       LEU  64   7.300   4.995  -1.471
  458   1HD1  LEU  64          1HD1      LEU  64   8.305   7.924  -1.540
  459   2HD1  LEU  64          2HD1      LEU  64   8.963   6.597  -2.535
  460   3HD1  LEU  64          3HD1      LEU  64   7.277   7.084  -2.733
  461   1HD2  LEU  64          1HD2      LEU  64   9.160   6.385   0.594
  462   2HD2  LEU  64          2HD2      LEU  64   8.607   4.686   0.621
  463   3HD2  LEU  64          3HD2      LEU  64   9.704   5.235  -0.653
  464    H    LYS  65           H        LYS  65   3.277   6.581   0.232
  465    HA   LYS  65           HA       LYS  65   2.843   7.777   2.930
  466   1HB   LYS  65          1HB       LYS  65   1.325   9.017   1.773
  467   2HB   LYS  65          2HB       LYS  65   2.238   8.447   0.389
  468   1HG   LYS  65          1HG       LYS  65   0.149   7.923  -0.464
  469   2HG   LYS  65          2HG       LYS  65   0.210   6.502   0.594
  470   1HD   LYS  65          1HD       LYS  65  -1.826   7.498   1.231
  471   2HD   LYS  65          2HD       LYS  65  -0.733   8.008   2.521
  472   1HE   LYS  65          1HE       LYS  65  -0.800  10.314   1.758
  473   2HE   LYS  65          2HE       LYS  65  -1.200   9.842   0.096
  474   1HZ   LYS  65          1HZ       LYS  65  -3.436   8.872   1.240
  475   2HZ   LYS  65          2HZ       LYS  65  -3.059   9.871   2.472
  476   3HZ   LYS  65          3HZ       LYS  65  -3.342  10.504   1.021
  477    H    MET  66           H        MET  66   1.191   5.071   1.187
  478    HA   MET  66           HA       MET  66  -0.443   4.006   3.198
  479   1HB   MET  66          1HB       MET  66  -0.593   2.869   1.165
  480   2HB   MET  66          2HB       MET  66   1.141   2.787   0.939
  481   1HG   MET  66          1HG       MET  66   1.427   0.820   2.232
  482   2HG   MET  66          2HG       MET  66  -0.060   1.064   3.168
  483   1HE   MET  66          1HE       MET  66   1.470   0.277  -0.375
  484   2HE   MET  66          2HE       MET  66   0.002   0.005  -1.360
  485   3HE   MET  66          3HE       MET  66   0.351   1.635  -0.707
  486    H    MET  67           H        MET  67   2.822   2.531   2.793
  487    HA   MET  67           HA       MET  67   3.314   1.358   5.325
  488   1HB   MET  67          1HB       MET  67   4.948   1.683   3.251
  489   2HB   MET  67          2HB       MET  67   5.446   3.160   4.052
  490   1HG   MET  67          1HG       MET  67   6.659   2.088   5.708
  491   2HG   MET  67          2HG       MET  67   5.511   0.743   5.863
  492   1HE   MET  67          1HE       MET  67   5.799  -1.326   5.216
  493   2HE   MET  67          2HE       MET  67   7.048  -2.054   4.162
  494   3HE   MET  67          3HE       MET  67   7.511  -1.338   5.739
  495    H    GLU  68           H        GLU  68   4.268   4.754   4.663
  496    HA   GLU  68           HA       GLU  68   5.130   5.081   7.431
  497   1HB   GLU  68          1HB       GLU  68   6.120   6.033   5.229
  498   2HB   GLU  68          2HB       GLU  68   5.009   7.357   5.407
  499   1HG   GLU  68          1HG       GLU  68   6.176   8.282   7.289
  500   2HG   GLU  68          2HG       GLU  68   6.847   6.742   7.791
  501    H    GLY  69           H        GLY  69   2.282   6.609   5.821
  502   1HA   GLY  69          1HA       GLY  69   0.553   8.009   6.815
  503   2HA   GLY  69          2HA       GLY  69   1.308   7.758   8.394
  504    H    VAL  70           H        VAL  70   1.894   9.649   5.377
  505    HA   VAL  70           HA       VAL  70   4.104  11.261   6.632
  506    HB   VAL  70           HB       VAL  70   4.041  10.654   4.171
  507   1HG1  VAL  70          1HG1      VAL  70   1.874  12.870   3.992
  508   2HG1  VAL  70          2HG1      VAL  70   2.735  12.168   2.599
  509   3HG1  VAL  70          3HG1      VAL  70   1.663  11.154   3.567
  510   1HG2  VAL  70          1HG2      VAL  70   5.555  12.501   5.000
  511   2HG2  VAL  70          2HG2      VAL  70   4.993  12.831   3.369
  512   3HG2  VAL  70          3HG2      VAL  70   4.270  13.703   4.753
  513    H    GLN  71           H        GLN  71   3.903  13.669   6.793
  514    HA   GLN  71           HA       GLN  71   2.015  14.893   8.319
  515   1HB   GLN  71          1HB       GLN  71   2.541  17.079   7.264
  516   2HB   GLN  71          2HB       GLN  71   3.968  16.083   7.539
  517   1HG   GLN  71          1HG       GLN  71   3.612  15.327   4.984
  518   2HG   GLN  71          2HG       GLN  71   2.580  16.738   4.847
  519   1HE2  GLN  71          1HE2      GLN  71   5.729  18.092   3.758
  520   2HE2  GLN  71          2HE2      GLN  71   4.174  17.251   3.218
  521   1HN   NH2  72          1HN       NH2  72  -0.129  15.650   8.350
  522   2HN   NH2  72          2HN       NH2  72  -1.259  15.497   6.979
   
  No H/Q in entry =         522
  Start of MODEL   28
    1   1H    ACE   1          1HH3      ACE   1  22.834   8.879  -3.839
    2   2H    ACE   1          2HH3      ACE   1  22.793   7.463  -2.729
    3   3H    ACE   1          3HH3      ACE   1  22.728   7.232  -4.499
    4    H    LYS   2           H        LYS   2  20.928   8.909  -1.913
    5    HA   LYS   2           HA       LYS   2  18.817  10.023  -2.019
    6   1HB   LYS   2          1HB       LYS   2  19.553   9.937  -4.614
    7   2HB   LYS   2          2HB       LYS   2  18.176   8.869  -4.779
    8   1HG   LYS   2          1HG       LYS   2  17.178  11.007  -5.233
    9   2HG   LYS   2          2HG       LYS   2  16.845  10.873  -3.525
   10   1HD   LYS   2          1HD       LYS   2  19.361  12.105  -3.438
   11   2HD   LYS   2          2HD       LYS   2  18.761  12.729  -4.977
   12   1HE   LYS   2          1HE       LYS   2  16.884  13.821  -4.024
   13   2HE   LYS   2          2HE       LYS   2  16.833  12.805  -2.572
   14   1HZ   LYS   2          1HZ       LYS   2  19.333  14.474  -2.929
   15   2HZ   LYS   2          2HZ       LYS   2  17.962  15.262  -2.592
   16   3HZ   LYS   2          3HZ       LYS   2  18.455  14.212  -1.542
   17    H    SER   3           H        SER   3  16.554   9.530  -1.799
   18    HA   SER   3           HA       SER   3  16.562   7.110  -0.086
   19   1HB   SER   3          1HB       SER   3  14.354   9.218  -0.292
   20   2HB   SER   3          2HB       SER   3  14.749   8.243   1.103
   21    HG   SER   3           HG       SER   3  15.805  10.598   0.250
   22    H    GLU   4           H        GLU   4  16.039   5.157  -0.985
   23    HA   GLU   4           HA       GLU   4  13.555   4.573  -2.366
   24   1HB   GLU   4          1HB       GLU   4  15.479   4.316  -4.582
   25   2HB   GLU   4          2HB       GLU   4  13.768   4.662  -4.520
   26   1HG   GLU   4          1HG       GLU   4  14.420   7.132  -3.864
   27   2HG   GLU   4          2HG       GLU   4  16.083   6.701  -4.249
   28    H    GLU   5           H        GLU   5  16.858   3.630  -1.759
   29    HA   GLU   5           HA       GLU   5  16.849   1.102  -3.048
   30   1HB   GLU   5          1HB       GLU   5  18.955   1.811  -2.689
   31   2HB   GLU   5          2HB       GLU   5  18.641   2.466  -1.111
   32   1HG   GLU   5          1HG       GLU   5  19.745   0.681  -0.169
   33   2HG   GLU   5          2HG       GLU   5  18.517  -0.421  -0.763
   34    H    GLU   6           H        GLU   6  16.422   1.464   0.488
   35    HA   GLU   6           HA       GLU   6  15.898  -1.365   1.034
   36   1HB   GLU   6          1HB       GLU   6  15.481   1.166   2.637
   37   2HB   GLU   6          2HB       GLU   6  14.849  -0.336   3.241
   38   1HG   GLU   6          1HG       GLU   6  17.389  -1.233   2.922
   39   2HG   GLU   6          2HG       GLU   6  17.798   0.472   2.886
   40    H    LEU   7           H        LEU   7  13.515   1.293   0.886
   41    HA   LEU   7           HA       LEU   7  11.037  -0.362   0.850
   42   1HB   LEU   7          1HB       LEU   7  11.620   2.461  -0.197
   43   2HB   LEU   7          2HB       LEU   7  10.033   1.735  -0.250
   44    HG   LEU   7           HG       LEU   7  10.853   3.377   1.757
   45   1HD1  LEU   7          1HD1      LEU   7   8.523   2.604   1.355
   46   2HD1  LEU   7          2HD1      LEU   7   8.879   1.016   2.082
   47   3HD1  LEU   7          3HD1      LEU   7   8.917   2.495   3.077
   48   1HD2  LEU   7          1HD2      LEU   7  11.415   0.524   2.860
   49   2HD2  LEU   7          2HD2      LEU   7  12.584   1.866   2.725
   50   3HD2  LEU   7          3HD2      LEU   7  11.235   1.992   3.856
   51    H    ALA   8           H        ALA   8  13.304   0.631  -1.720
   52    HA   ALA   8           HA       ALA   8  12.052  -0.516  -3.997
   53   1HB   ALA   8          1HB       ALA   8  15.050  -0.510  -3.225
   54   2HB   ALA   8          2HB       ALA   8  14.416  -0.778  -4.862
   55   3HB   ALA   8          3HB       ALA   8  14.158   0.780  -4.066
   56    H    ASN   9           H        ASN   9  14.691  -2.490  -2.554
   57    HA   ASN   9           HA       ASN   9  13.963  -5.137  -2.868
   58   1HB   ASN   9          1HB       ASN   9  14.698  -3.851  -0.146
   59   2HB   ASN   9          2HB       ASN   9  14.730  -5.565  -0.452
   60   1HD2  ASN   9          1HD2      ASN   9  17.981  -3.494  -1.331
   61   2HD2  ASN   9          2HD2      ASN   9  16.628  -2.922  -0.256
   62    H    ALA  10           H        ALA  10  12.271  -3.141  -0.401
   63    HA   ALA  10           HA       ALA  10  10.566  -5.373   0.614
   64   1HB   ALA  10          1HB       ALA  10  11.347  -3.454   2.018
   65   2HB   ALA  10          2HB       ALA  10  10.382  -2.311   1.048
   66   3HB   ALA  10          3HB       ALA  10   9.576  -3.561   2.021
   67    H    PHE  11           H        PHE  11   9.939  -2.633  -1.601
   68    HA   PHE  11           HA       PHE  11   7.105  -3.228  -2.081
   69   1HB   PHE  11          1HB       PHE  11   8.208  -0.998  -2.395
   70   2HB   PHE  11          2HB       PHE  11   9.106  -1.607  -3.744
   71    HD1  PHE  11           HD1      PHE  11   5.695  -0.511  -2.690
   72    HD2  PHE  11           HD2      PHE  11   8.097  -1.907  -5.975
   73    HE1  PHE  11           HE1      PHE  11   3.965   0.222  -4.283
   74    HE2  PHE  11           HE2      PHE  11   6.339  -1.205  -7.547
   75    HZ   PHE  11           HZ       PHE  11   4.282  -0.134  -6.712
   76    H    ARG  12           H        ARG  12   9.975  -4.123  -4.065
   77    HA   ARG  12           HA       ARG  12   8.654  -5.990  -5.838
   78   1HB   ARG  12          1HB       ARG  12  11.155  -5.206  -5.744
   79   2HB   ARG  12          2HB       ARG  12  11.418  -6.535  -4.620
   80   1HG   ARG  12          1HG       ARG  12  11.963  -7.067  -7.066
   81   2HG   ARG  12          2HG       ARG  12  10.859  -8.223  -6.309
   82   1HD   ARG  12          1HD       ARG  12   9.479  -7.895  -8.116
   83   2HD   ARG  12          2HD       ARG  12   9.056  -6.326  -7.376
   84    HE   ARG  12           HE       ARG  12  10.791  -5.201  -8.798
   85   1HH1  ARG  12          2HH1      ARG  12  10.299  -8.530  -9.623
   86   2HH1  ARG  12          1HH1      ARG  12  11.091  -8.326 -11.260
   87   1HH2  ARG  12          1HH2      ARG  12  11.689  -4.997 -10.620
   88   2HH2  ARG  12          2HH2      ARG  12  11.841  -6.394 -11.784
   89    H    ILE  13           H        ILE  13   9.856  -6.652  -2.500
   90    HA   ILE  13           HA       ILE  13   9.561  -9.611  -2.767
   91    HB   ILE  13           HB       ILE  13  10.185  -7.819  -0.365
   92   1HG1  ILE  13          1HG1      ILE  13  12.091  -8.030  -1.980
   93   2HG1  ILE  13          2HG1      ILE  13  12.461  -8.741  -0.432
   94   1HG2  ILE  13          1HG2      ILE  13   9.003  -9.866   0.526
   95   2HG2  ILE  13          2HG2      ILE  13  10.109 -10.928  -0.377
   96   3HG2  ILE  13          3HG2      ILE  13  10.700  -9.927   0.964
   97   1HD1  ILE  13          1HD1      ILE  13  12.050 -11.071  -1.290
   98   2HD1  ILE  13          2HD1      ILE  13  11.729 -10.410  -2.912
   99   3HD1  ILE  13          3HD1      ILE  13  13.333 -10.220  -2.179
  100    H    PHE  14           H        PHE  14   7.579  -6.999  -1.522
  101    HA   PHE  14           HA       PHE  14   5.285  -8.532  -0.376
  102   1HB   PHE  14          1HB       PHE  14   5.611  -5.751  -1.648
  103   2HB   PHE  14          2HB       PHE  14   4.024  -6.379  -1.350
  104    HD1  PHE  14           HD1      PHE  14   4.889  -7.885   1.365
  105    HD2  PHE  14           HD2      PHE  14   5.352  -3.876  -0.104
  106    HE1  PHE  14           HE1      PHE  14   5.017  -7.051   3.678
  107    HE2  PHE  14           HE2      PHE  14   5.502  -3.050   2.212
  108    HZ   PHE  14           HZ       PHE  14   5.322  -4.637   4.110
  109    H    ASP  15           H        ASP  15   5.682  -7.037  -3.636
  110    HA   ASP  15           HA       ASP  15   3.110  -7.895  -4.620
  111   1HB   ASP  15          1HB       ASP  15   4.394  -5.977  -5.521
  112   2HB   ASP  15          2HB       ASP  15   5.645  -7.036  -6.153
  113    H    LYS  16           H        LYS  16   2.293  -9.614  -5.582
  114    HA   LYS  16           HA       LYS  16   3.757 -12.235  -5.594
  115   1HB   LYS  16          1HB       LYS  16   1.112 -12.083  -7.018
  116   2HB   LYS  16          2HB       LYS  16   1.722 -13.305  -5.938
  117   1HG   LYS  16          1HG       LYS  16   0.762 -12.260  -4.042
  118   2HG   LYS  16          2HG       LYS  16   1.080 -10.638  -4.645
  119   1HD   LYS  16          1HD       LYS  16  -1.121 -10.449  -5.187
  120   2HD   LYS  16          2HD       LYS  16  -0.807 -11.598  -6.487
  121   1HE   LYS  16          1HE       LYS  16  -2.784 -12.345  -5.226
  122   2HE   LYS  16          2HE       LYS  16  -1.491 -13.556  -5.113
  123   1HZ   LYS  16          1HZ       LYS  16  -1.667 -11.374  -2.994
  124   2HZ   LYS  16          2HZ       LYS  16  -2.557 -12.758  -2.847
  125   3HZ   LYS  16          3HZ       LYS  16  -0.932 -12.841  -2.904
  126    H    ASN  17           H        ASN  17   1.980 -10.486  -8.171
  127    HA   ASN  17           HA       ASN  17   3.217 -12.197 -10.216
  128   1HB   ASN  17          1HB       ASN  17   0.789 -11.441 -10.111
  129   2HB   ASN  17          2HB       ASN  17   1.273  -9.854 -10.647
  130   1HD2  ASN  17          1HD2      ASN  17   0.010 -11.890 -13.514
  131   2HD2  ASN  17          2HD2      ASN  17  -0.549 -11.926 -11.809
  132    H    ALA  18           H        ALA  18   3.510  -8.640  -9.675
  133    HA   ALA  18           HA       ALA  18   5.671  -7.501  -9.628
  134   1HB   ALA  18          1HB       ALA  18   6.671  -9.789  -9.265
  135   2HB   ALA  18          2HB       ALA  18   6.670 -10.063 -11.022
  136   3HB   ALA  18          3HB       ALA  18   7.693  -8.790 -10.335
  137    H    ASP  19           H        ASP  19   3.676  -7.157 -11.842
  138    HA   ASP  19           HA       ASP  19   5.285  -6.027 -14.036
  139   1HB   ASP  19          1HB       ASP  19   2.634  -6.468 -13.696
  140   2HB   ASP  19          2HB       ASP  19   2.627  -4.782 -13.198
  141    H    GLY  20           H        GLY  20   5.522  -5.195 -10.834
  142   1HA   GLY  20          1HA       GLY  20   6.631  -3.257  -9.824
  143   2HA   GLY  20          2HA       GLY  20   6.419  -2.373 -11.339
  144    H    TYR  21           H        TYR  21   3.391  -3.506 -10.594
  145    HA   TYR  21           HA       TYR  21   2.617  -1.039  -8.943
  146   1HB   TYR  21          1HB       TYR  21   0.941  -2.808 -10.837
  147   2HB   TYR  21          2HB       TYR  21   0.249  -1.592  -9.804
  148    HD1  TYR  21           HD1      TYR  21   3.457  -0.386 -10.979
  149    HD2  TYR  21           HD2      TYR  21  -0.622  -0.958 -12.217
  150    HE1  TYR  21           HE1      TYR  21   3.712   1.367 -12.704
  151    HE2  TYR  21           HE2      TYR  21  -0.332   0.776 -13.942
  152    HH   TYR  21           HH       TYR  21   2.207   1.636 -15.201
  153    H    ILE  22           H        ILE  22   1.092  -1.196  -7.259
  154    HA   ILE  22           HA       ILE  22   0.454  -3.983  -6.135
  155    HB   ILE  22           HB       ILE  22   0.806  -1.335  -4.635
  156   1HG1  ILE  22          1HG1      ILE  22   2.402  -3.974  -4.368
  157   2HG1  ILE  22          2HG1      ILE  22   2.970  -2.545  -5.188
  158   1HG2  ILE  22          1HG2      ILE  22  -1.105  -2.630  -3.586
  159   2HG2  ILE  22          2HG2      ILE  22  -0.075  -4.067  -3.437
  160   3HG2  ILE  22          3HG2      ILE  22   0.273  -2.592  -2.499
  161   1HD1  ILE  22          1HD1      ILE  22   2.845  -1.193  -3.032
  162   2HD1  ILE  22          2HD1      ILE  22   2.462  -2.700  -2.162
  163   3HD1  ILE  22          3HD1      ILE  22   4.015  -2.536  -3.006
  164    H    ASP  23           H        ASP  23  -1.654  -4.215  -5.047
  165    HA   ASP  23           HA       ASP  23  -3.808  -2.801  -6.702
  166   1HB   ASP  23          1HB       ASP  23  -4.713  -5.054  -7.380
  167   2HB   ASP  23          2HB       ASP  23  -3.093  -4.754  -7.996
  168    H    ILE  24           H        ILE  24  -6.056  -3.832  -6.085
  169    HA   ILE  24           HA       ILE  24  -6.579  -2.940  -3.257
  170    HB   ILE  24           HB       ILE  24  -8.124  -2.614  -5.381
  171   1HG1  ILE  24          1HG1      ILE  24  -8.613  -2.291  -2.632
  172   2HG1  ILE  24          2HG1      ILE  24  -9.614  -1.695  -3.928
  173   1HG2  ILE  24          1HG2      ILE  24  -8.486  -5.065  -5.929
  174   2HG2  ILE  24          2HG2      ILE  24  -9.240  -5.322  -4.343
  175   3HG2  ILE  24          3HG2      ILE  24 -10.017  -4.287  -5.568
  176   1HD1  ILE  24          1HD1      ILE  24 -11.016  -3.820  -3.892
  177   2HD1  ILE  24          2HD1      ILE  24 -10.130  -4.329  -2.433
  178   3HD1  ILE  24          3HD1      ILE  24 -11.104  -2.844  -2.402
  179    H    GLU  25           H        GLU  25  -6.391  -6.008  -4.993
  180    HA   GLU  25           HA       GLU  25  -7.499  -7.657  -2.744
  181   1HB   GLU  25          1HB       GLU  25  -6.093  -8.962  -5.061
  182   2HB   GLU  25          2HB       GLU  25  -7.469  -9.504  -4.150
  183   1HG   GLU  25          1HG       GLU  25  -8.857  -7.600  -5.337
  184   2HG   GLU  25          2HG       GLU  25  -7.468  -7.353  -6.380
  185    H    GLU  26           H        GLU  26  -4.314  -6.698  -3.781
  186    HA   GLU  26           HA       GLU  26  -2.847  -8.449  -1.835
  187   1HB   GLU  26          1HB       GLU  26  -1.949  -6.176  -3.642
  188   2HB   GLU  26          2HB       GLU  26  -0.878  -6.841  -2.446
  189   1HG   GLU  26          1HG       GLU  26  -1.145  -9.166  -3.586
  190   2HG   GLU  26          2HG       GLU  26  -2.097  -8.395  -4.841
  191    H    LEU  27           H        LEU  27  -4.150  -5.192  -1.766
  192    HA   LEU  27           HA       LEU  27  -2.742  -4.171   0.564
  193   1HB   LEU  27          1HB       LEU  27  -3.905  -2.767  -1.102
  194   2HB   LEU  27          2HB       LEU  27  -5.465  -3.371  -0.609
  195    HG   LEU  27           HG       LEU  27  -5.632  -1.988   1.242
  196   1HD1  LEU  27          1HD1      LEU  27  -3.748  -3.062   2.479
  197   2HD1  LEU  27          2HD1      LEU  27  -2.556  -2.046   1.619
  198   3HD1  LEU  27          3HD1      LEU  27  -3.761  -1.316   2.719
  199   1HD2  LEU  27          1HD2      LEU  27  -3.422  -0.442  -0.309
  200   2HD2  LEU  27          2HD2      LEU  27  -5.178  -0.390  -0.648
  201   3HD2  LEU  27          3HD2      LEU  27  -4.562   0.246   0.882
  202    H    GLY  28           H        GLY  28  -6.256  -4.799   0.746
  203   1HA   GLY  28          1HA       GLY  28  -6.761  -5.065   3.430
  204   2HA   GLY  28          2HA       GLY  28  -7.532  -6.206   2.322
  205    H    GLU  29           H        GLU  29  -5.330  -7.800   1.623
  206    HA   GLU  29           HA       GLU  29  -5.164  -9.565   3.983
  207   1HB   GLU  29          1HB       GLU  29  -5.366 -10.081   1.386
  208   2HB   GLU  29          2HB       GLU  29  -3.631 -10.144   1.432
  209   1HG   GLU  29          1HG       GLU  29  -4.135 -11.900   3.515
  210   2HG   GLU  29          2HG       GLU  29  -5.644 -12.093   2.643
  211    H    ILE  30           H        ILE  30  -2.796  -7.464   2.468
  212    HA   ILE  30           HA       ILE  30  -0.404  -8.179   4.108
  213    HB   ILE  30           HB       ILE  30  -1.169  -5.578   2.685
  214   1HG1  ILE  30          1HG1      ILE  30   1.194  -7.411   1.944
  215   2HG1  ILE  30          2HG1      ILE  30  -0.402  -7.729   1.320
  216   1HG2  ILE  30          1HG2      ILE  30   0.316  -5.004   4.640
  217   2HG2  ILE  30          2HG2      ILE  30   1.517  -6.208   4.106
  218   3HG2  ILE  30          3HG2      ILE  30   1.174  -4.756   3.124
  219   1HD1  ILE  30          1HD1      ILE  30   1.081  -5.075   0.754
  220   2HD1  ILE  30          2HD1      ILE  30   0.875  -6.454  -0.345
  221   3HD1  ILE  30          3HD1      ILE  30  -0.544  -5.527   0.179
  222    H    LEU  31           H        LEU  31  -2.925  -5.663   4.464
  223    HA   LEU  31           HA       LEU  31  -2.093  -4.783   7.210
  224   1HB   LEU  31          1HB       LEU  31  -4.177  -3.489   7.239
  225   2HB   LEU  31          2HB       LEU  31  -3.253  -3.184   5.788
  226    HG   LEU  31           HG       LEU  31  -4.881  -5.013   4.674
  227   1HD1  LEU  31          1HD1      LEU  31  -6.530  -4.054   7.110
  228   2HD1  LEU  31          2HD1      LEU  31  -7.189  -4.905   5.687
  229   3HD1  LEU  31          3HD1      LEU  31  -6.018  -5.721   6.728
  230   1HD2  LEU  31          1HD2      LEU  31  -5.775  -2.116   5.342
  231   2HD2  LEU  31          2HD2      LEU  31  -4.861  -2.648   3.902
  232   3HD2  LEU  31          3HD2      LEU  31  -6.539  -3.160   4.114
  233    H    ARG  32           H        ARG  32  -4.145  -7.351   5.996
  234    HA   ARG  32           HA       ARG  32  -5.082  -8.107   8.759
  235   1HB   ARG  32          1HB       ARG  32  -6.618  -8.201   6.913
  236   2HB   ARG  32          2HB       ARG  32  -5.507  -9.101   5.882
  237   1HG   ARG  32          1HG       ARG  32  -6.149 -11.152   6.821
  238   2HG   ARG  32          2HG       ARG  32  -6.206 -10.488   8.464
  239   1HD   ARG  32          1HD       ARG  32  -8.394  -9.219   7.745
  240   2HD   ARG  32          2HD       ARG  32  -8.382 -10.215   6.273
  241    HE   ARG  32           HE       ARG  32  -8.052 -11.897   8.716
  242   1HH1  ARG  32          2HH1      ARG  32 -10.492 -10.342   6.792
  243   2HH1  ARG  32          1HH1      ARG  32 -11.790 -11.484   7.381
  244   1HH2  ARG  32          1HH2      ARG  32  -9.544 -13.155   9.368
  245   2HH2  ARG  32          2HH2      ARG  32 -11.258 -12.992   8.768
  246    H    ALA  33           H        ALA  33  -2.481  -9.000   6.611
  247    HA   ALA  33           HA       ALA  33  -1.729 -11.579   7.035
  248   1HB   ALA  33          1HB       ALA  33  -0.391  -9.916   5.752
  249   2HB   ALA  33          2HB       ALA  33   0.224  -9.193   7.263
  250   3HB   ALA  33          3HB       ALA  33   0.660 -10.859   6.821
  251    H    THR  34           H        THR  34  -1.658  -9.287   9.672
  252    HA   THR  34           HA       THR  34   0.534 -10.166  11.211
  253    HB   THR  34           HB       THR  34  -0.641  -9.176  13.268
  254    HG1  THR  34           HG1      THR  34  -2.771  -9.426  11.686
  255   1HG2  THR  34          2HG2      THR  34   0.765  -7.815  11.584
  256   2HG2  THR  34          3HG2      THR  34  -0.740  -7.417  10.715
  257   3HG2  THR  34          1HG2      THR  34  -0.508  -6.850  12.377
  258    H    GLY  35           H        GLY  35  -2.672 -11.607  11.147
  259   1HA   GLY  35          1HA       GLY  35  -1.962 -13.917  13.021
  260   2HA   GLY  35          2HA       GLY  35  -3.077 -12.695  13.643
  261   1HN   NH2  36          1HN       NH2  36  -5.267 -12.505  12.769
  262   2HN   NH2  36          2HN       NH2  36  -5.986 -13.834  11.820
  263   1H    ACE  37          1HH3      ACE  37 -13.748  -1.113  13.547
  264   2H    ACE  37          2HH3      ACE  37 -14.094  -0.556  11.874
  265   3H    ACE  37          3HH3      ACE  37 -15.377  -1.319  12.848
  266    H    VAL  38           H        VAL  38 -12.119  -2.014  11.580
  267    HA   VAL  38           HA       VAL  38 -11.284  -3.883  10.310
  268    HB   VAL  38           HB       VAL  38 -10.949  -4.800  12.576
  269   1HG1  VAL  38          1HG1      VAL  38 -13.770  -6.069  12.281
  270   2HG1  VAL  38          2HG1      VAL  38 -12.590  -6.536  13.527
  271   3HG1  VAL  38          3HG1      VAL  38 -13.258  -4.901  13.513
  272   1HG2  VAL  38          1HG2      VAL  38 -10.299  -6.274  10.621
  273   2HG2  VAL  38          2HG2      VAL  38 -10.855  -7.258  11.992
  274   3HG2  VAL  38          3HG2      VAL  38 -11.932  -6.978  10.602
  275    H    THR  39           H        THR  39 -12.485  -3.524   8.447
  276    HA   THR  39           HA       THR  39 -14.717  -5.344   7.766
  277    HB   THR  39           HB       THR  39 -16.277  -3.303   7.051
  278    HG1  THR  39           HG1      THR  39 -14.794  -1.750   7.990
  279   1HG2  THR  39          2HG2      THR  39 -16.092  -4.339   9.968
  280   2HG2  THR  39          3HG2      THR  39 -17.523  -3.571   9.237
  281   3HG2  THR  39          1HG2      THR  39 -16.949  -5.139   8.628
  282    H    GLU  40           H        GLU  40 -15.538  -4.775   5.479
  283    HA   GLU  40           HA       GLU  40 -13.164  -4.499   3.667
  284   1HB   GLU  40          1HB       GLU  40 -15.059  -6.198   3.422
  285   2HB   GLU  40          2HB       GLU  40 -16.071  -4.917   2.827
  286   1HG   GLU  40          1HG       GLU  40 -14.885  -6.471   1.065
  287   2HG   GLU  40          2HG       GLU  40 -14.876  -4.749   0.732
  288    H    GLU  41           H        GLU  41 -16.133  -2.545   4.149
  289    HA   GLU  41           HA       GLU  41 -15.449  -0.361   2.447
  290   1HB   GLU  41          1HB       GLU  41 -17.189   0.840   3.363
  291   2HB   GLU  41          2HB       GLU  41 -17.660  -0.816   3.591
  292   1HG   GLU  41          1HG       GLU  41 -16.577  -0.366   6.105
  293   2HG   GLU  41          2HG       GLU  41 -16.994   1.288   5.699
  294    H    ASP  42           H        ASP  42 -14.063  -1.029   5.560
  295    HA   ASP  42           HA       ASP  42 -12.639   1.575   5.985
  296   1HB   ASP  42          1HB       ASP  42 -12.261  -1.255   7.144
  297   2HB   ASP  42          2HB       ASP  42 -11.224   0.093   7.588
  298    H    ILE  43           H        ILE  43 -11.945  -1.419   4.250
  299    HA   ILE  43           HA       ILE  43  -9.154  -0.688   3.388
  300    HB   ILE  43           HB       ILE  43 -11.082  -2.906   2.651
  301   1HG1  ILE  43          1HG1      ILE  43  -9.091  -4.403   3.082
  302   2HG1  ILE  43          2HG1      ILE  43  -8.082  -3.014   3.379
  303   1HG2  ILE  43          1HG2      ILE  43 -10.272  -2.140   0.386
  304   2HG2  ILE  43          2HG2      ILE  43  -8.585  -2.220   0.932
  305   3HG2  ILE  43          3HG2      ILE  43  -9.562  -3.701   0.772
  306   1HD1  ILE  43          1HD1      ILE  43  -9.461  -2.342   5.392
  307   2HD1  ILE  43          2HD1      ILE  43 -10.418  -3.836   5.209
  308   3HD1  ILE  43          3HD1      ILE  43  -8.676  -3.930   5.546
  309    H    GLU  44           H        GLU  44 -12.434  -0.239   2.127
  310    HA   GLU  44           HA       GLU  44 -11.571   0.729  -0.578
  311   1HB   GLU  44          1HB       GLU  44 -14.123   0.031   0.719
  312   2HB   GLU  44          2HB       GLU  44 -14.273   1.475  -0.235
  313   1HG   GLU  44          1HG       GLU  44 -12.856  -0.583  -1.837
  314   2HG   GLU  44          2HG       GLU  44 -14.324  -1.271  -1.166
  315    H    ASP  45           H        ASP  45 -12.594   2.248   2.436
  316    HA   ASP  45           HA       ASP  45 -12.615   5.053   1.340
  317   1HB   ASP  45          1HB       ASP  45 -13.113   3.810   4.100
  318   2HB   ASP  45          2HB       ASP  45 -12.924   5.550   3.935
  319    H    LEU  46           H        LEU  46 -10.411   3.090   3.302
  320    HA   LEU  46           HA       LEU  46  -8.082   4.954   3.386
  321   1HB   LEU  46          1HB       LEU  46  -8.293   2.816   4.671
  322   2HB   LEU  46          2HB       LEU  46  -8.179   1.883   3.198
  323    HG   LEU  46           HG       LEU  46  -5.828   2.441   2.857
  324   1HD1  LEU  46          1HD1      LEU  46  -6.333   4.638   4.920
  325   2HD1  LEU  46          2HD1      LEU  46  -4.675   4.039   4.620
  326   3HD1  LEU  46          3HD1      LEU  46  -5.638   4.756   3.297
  327   1HD2  LEU  46          1HD2      LEU  46  -6.637   1.553   5.635
  328   2HD2  LEU  46          2HD2      LEU  46  -5.602   0.718   4.441
  329   3HD2  LEU  46          3HD2      LEU  46  -4.955   2.050   5.443
  330    H    MET  47           H        MET  47  -8.962   2.539   0.915
  331    HA   MET  47           HA       MET  47  -6.771   3.283  -0.893
  332   1HB   MET  47          1HB       MET  47  -7.876   1.007  -0.769
  333   2HB   MET  47          2HB       MET  47  -9.302   1.671  -1.548
  334   1HG   MET  47          1HG       MET  47  -8.380   1.611  -3.667
  335   2HG   MET  47          2HG       MET  47  -6.814   2.234  -3.119
  336   1HE   MET  47          1HE       MET  47  -6.524   0.398  -5.260
  337   2HE   MET  47          2HE       MET  47  -5.117   0.788  -4.228
  338   3HE   MET  47          3HE       MET  47  -5.436  -0.911  -4.683
  339    H    LYS  48           H        LYS  48  -9.727   4.975  -0.409
  340    HA   LYS  48           HA       LYS  48  -9.056   6.638  -2.872
  341   1HB   LYS  48          1HB       LYS  48 -11.324   7.390  -1.052
  342   2HB   LYS  48          2HB       LYS  48 -11.262   7.472  -2.785
  343   1HG   LYS  48          1HG       LYS  48 -11.204   4.621  -2.133
  344   2HG   LYS  48          2HG       LYS  48 -12.281   5.326  -0.968
  345   1HD   LYS  48          1HD       LYS  48 -13.800   6.234  -2.615
  346   2HD   LYS  48          2HD       LYS  48 -12.740   5.964  -3.959
  347   1HE   LYS  48          1HE       LYS  48 -13.868   3.948  -4.307
  348   2HE   LYS  48          2HE       LYS  48 -13.111   3.330  -2.849
  349   1HZ   LYS  48          1HZ       LYS  48 -15.122   4.717  -1.651
  350   2HZ   LYS  48          2HZ       LYS  48 -15.894   4.351  -3.070
  351   3HZ   LYS  48          3HZ       LYS  48 -15.274   3.203  -2.090
  352    H    ASP  49           H        ASP  49  -8.910   6.687   0.623
  353    HA   ASP  49           HA       ASP  49  -8.130   9.593   0.911
  354   1HB   ASP  49          1HB       ASP  49  -9.311   8.189   2.734
  355   2HB   ASP  49          2HB       ASP  49  -7.787   7.356   3.005
  356    H    SER  50           H        SER  50  -6.491   6.540   0.425
  357    HA   SER  50           HA       SER  50  -3.713   7.805   0.539
  358   1HB   SER  50          1HB       SER  50  -3.870   5.582   1.590
  359   2HB   SER  50          2HB       SER  50  -4.640   4.879   0.171
  360    HG   SER  50           HG       SER  50  -2.013   5.293   0.720
  361    H    ASP  51           H        ASP  51  -5.830   6.062  -1.784
  362    HA   ASP  51           HA       ASP  51  -4.225   6.633  -4.147
  363   1HB   ASP  51          1HB       ASP  51  -6.091   4.818  -3.678
  364   2HB   ASP  51          2HB       ASP  51  -7.236   6.028  -4.240
  365    H    LYS  52           H        LYS  52  -3.968   8.355  -5.388
  366    HA   LYS  52           HA       LYS  52  -5.652  10.861  -4.875
  367   1HB   LYS  52          1HB       LYS  52  -3.708  11.885  -4.607
  368   2HB   LYS  52          2HB       LYS  52  -2.792  10.446  -4.936
  369   1HG   LYS  52          1HG       LYS  52  -3.795  11.898  -7.428
  370   2HG   LYS  52          2HG       LYS  52  -2.789  12.875  -6.406
  371   1HD   LYS  52          1HD       LYS  52  -1.258  10.543  -6.464
  372   2HD   LYS  52          2HD       LYS  52  -1.929  10.476  -8.059
  373   1HE   LYS  52          1HE       LYS  52  -0.885  13.242  -7.387
  374   2HE   LYS  52          2HE       LYS  52   0.340  11.996  -7.152
  375   1HZ   LYS  52          1HZ       LYS  52  -0.284  11.130  -9.499
  376   2HZ   LYS  52          2HZ       LYS  52  -1.207  12.390  -9.763
  377   3HZ   LYS  52          3HZ       LYS  52   0.422  12.601  -9.545
  378    H    ASN  53           H        ASN  53  -3.776   9.583  -7.660
  379    HA   ASN  53           HA       ASN  53  -5.412  10.626  -9.744
  380   1HB   ASN  53          1HB       ASN  53  -4.327   8.703 -11.181
  381   2HB   ASN  53          2HB       ASN  53  -3.269   9.848 -10.404
  382   1HD2  ASN  53          1HD2      ASN  53  -3.043   5.947  -9.325
  383   2HD2  ASN  53          2HD2      ASN  53  -4.403   6.539 -10.380
  384    H    ASN  54           H        ASN  54  -6.003   7.674  -7.955
  385    HA   ASN  54           HA       ASN  54  -7.937   6.226  -7.833
  386   1HB   ASN  54          1HB       ASN  54  -9.027   9.034  -8.519
  387   2HB   ASN  54          2HB       ASN  54 -10.110   7.708  -8.198
  388   1HD2  ASN  54          1HD2      ASN  54  -9.388   9.587  -5.020
  389   2HD2  ASN  54          2HD2      ASN  54  -9.893  10.103  -6.691
  390    H    ASP  55           H        ASP  55  -6.648   5.833 -10.275
  391    HA   ASP  55           HA       ASP  55  -8.884   5.064 -12.195
  392   1HB   ASP  55          1HB       ASP  55  -7.233   4.515 -13.744
  393   2HB   ASP  55          2HB       ASP  55  -6.371   5.741 -12.826
  394    H    GLY  56           H        GLY  56  -6.909   3.669  -9.636
  395   1HA   GLY  56          1HA       GLY  56  -8.876   2.224  -8.374
  396   2HA   GLY  56          2HA       GLY  56  -8.446   1.045  -9.623
  397    H    ARG  57           H        ARG  57  -5.553   2.513  -8.871
  398    HA   ARG  57           HA       ARG  57  -4.680   0.300  -7.007
  399   1HB   ARG  57          1HB       ARG  57  -3.182  -0.571  -9.082
  400   2HB   ARG  57          2HB       ARG  57  -4.773  -1.229  -8.701
  401   1HG   ARG  57          1HG       ARG  57  -5.850   0.072 -10.484
  402   2HG   ARG  57          2HG       ARG  57  -4.457   1.136 -10.668
  403   1HD   ARG  57          1HD       ARG  57  -3.138  -0.588 -11.791
  404   2HD   ARG  57          2HD       ARG  57  -4.159  -1.883 -11.168
  405    HE   ARG  57           HE       ARG  57  -6.169  -0.844 -12.526
  406   1HH1  ARG  57          2HH1      ARG  57  -2.917  -0.691 -13.711
  407   2HH1  ARG  57          1HH1      ARG  57  -3.506  -0.389 -15.429
  408   1HH2  ARG  57          1HH2      ARG  57  -6.763  -0.724 -14.420
  409   2HH2  ARG  57          2HH2      ARG  57  -5.599  -0.554 -15.824
  410    H    ILE  58           H        ILE  58  -2.333   0.117  -6.794
  411    HA   ILE  58           HA       ILE  58  -1.303   2.958  -6.441
  412    HB   ILE  58           HB       ILE  58  -0.937   0.438  -4.747
  413   1HG1  ILE  58          1HG1      ILE  58  -2.320   3.137  -4.128
  414   2HG1  ILE  58          2HG1      ILE  58  -3.130   1.627  -4.436
  415   1HG2  ILE  58          1HG2      ILE  58   1.238   1.734  -4.672
  416   2HG2  ILE  58          2HG2      ILE  58   0.363   3.209  -4.215
  417   3HG2  ILE  58          3HG2      ILE  58   0.419   1.811  -3.115
  418   1HD1  ILE  58          1HD1      ILE  58  -2.115   0.569  -2.367
  419   2HD1  ILE  58          2HD1      ILE  58  -1.385   2.142  -1.954
  420   3HD1  ILE  58          3HD1      ILE  58  -3.153   1.977  -2.029
  421    H    ASP  59           H        ASP  59   0.771   3.583  -6.916
  422    HA   ASP  59           HA       ASP  59   2.816   1.463  -7.765
  423   1HB   ASP  59          1HB       ASP  59   3.837   3.231  -9.213
  424   2HB   ASP  59          2HB       ASP  59   2.161   2.913  -9.637
  425    H    PHE  60           H        PHE  60   5.094   3.015  -7.714
  426    HA   PHE  60           HA       PHE  60   5.936   2.283  -5.019
  427   1HB   PHE  60          1HB       PHE  60   7.323   2.216  -7.184
  428   2HB   PHE  60          2HB       PHE  60   7.542   3.930  -7.066
  429    HD1  PHE  60           HD1      PHE  60   8.606   0.696  -5.579
  430    HD2  PHE  60           HD2      PHE  60   9.058   4.965  -5.430
  431    HE1  PHE  60           HE1      PHE  60  10.557   0.447  -4.087
  432    HE2  PHE  60           HE2      PHE  60  10.997   4.710  -3.950
  433    HZ   PHE  60           HZ       PHE  60  11.762   2.455  -3.277
  434    H    ASP  61           H        ASP  61   5.504   5.523  -6.427
  435    HA   ASP  61           HA       ASP  61   6.139   7.273  -4.189
  436   1HB   ASP  61          1HB       ASP  61   3.672   7.739  -6.053
  437   2HB   ASP  61          2HB       ASP  61   4.940   8.812  -5.510
  438    H    GLU  62           H        GLU  62   2.848   6.374  -5.060
  439    HA   GLU  62           HA       GLU  62   1.400   6.886  -2.619
  440   1HB   GLU  62          1HB       GLU  62   0.750   4.460  -4.322
  441   2HB   GLU  62          2HB       GLU  62  -0.334   5.442  -3.385
  442   1HG   GLU  62          1HG       GLU  62   1.091   6.911  -5.641
  443   2HG   GLU  62          2HG       GLU  62  -0.024   5.656  -6.147
  444    H    PHE  63           H        PHE  63   3.632   4.185  -3.150
  445    HA   PHE  63           HA       PHE  63   2.834   2.510  -0.792
  446   1HB   PHE  63          1HB       PHE  63   4.232   1.765  -2.833
  447   2HB   PHE  63          2HB       PHE  63   5.560   2.684  -2.208
  448    HD1  PHE  63           HD1      PHE  63   3.260   0.405  -0.175
  449    HD2  PHE  63           HD2      PHE  63   7.177   0.988  -1.859
  450    HE1  PHE  63           HE1      PHE  63   4.184  -1.318   1.332
  451    HE2  PHE  63           HE2      PHE  63   8.058  -0.770  -0.404
  452    HZ   PHE  63           HZ       PHE  63   6.598  -1.851   1.270
  453    H    LEU  64           H        LEU  64   5.536   4.802  -1.308
  454    HA   LEU  64           HA       LEU  64   6.411   5.020   1.435
  455   1HB   LEU  64          1HB       LEU  64   6.612   7.024  -0.871
  456   2HB   LEU  64          2HB       LEU  64   7.361   7.332   0.677
  457    HG   LEU  64           HG       LEU  64   8.014   4.801  -0.941
  458   1HD1  LEU  64          1HD1      LEU  64   9.348   7.588  -1.140
  459   2HD1  LEU  64          2HD1      LEU  64  10.038   6.079  -1.796
  460   3HD1  LEU  64          3HD1      LEU  64   8.499   6.679  -2.420
  461   1HD2  LEU  64          1HD2      LEU  64   9.555   6.304   1.301
  462   2HD2  LEU  64          2HD2      LEU  64   8.813   4.681   1.412
  463   3HD2  LEU  64          3HD2      LEU  64  10.207   4.942   0.355
  464    H    LYS  65           H        LYS  65   3.890   7.055  -0.136
  465    HA   LYS  65           HA       LYS  65   2.992   8.441   2.273
  466   1HB   LYS  65          1HB       LYS  65   2.145   7.790  -0.495
  467   2HB   LYS  65          2HB       LYS  65   0.750   7.962   0.552
  468   1HG   LYS  65          1HG       LYS  65   2.786  10.201   0.764
  469   2HG   LYS  65          2HG       LYS  65   2.098   9.985  -0.856
  470   1HD   LYS  65          1HD       LYS  65   0.791  11.562   0.698
  471   2HD   LYS  65          2HD       LYS  65  -0.173  10.343  -0.141
  472   1HE   LYS  65          1HE       LYS  65  -1.034  10.412   2.129
  473   2HE   LYS  65          2HE       LYS  65  -0.016   8.961   2.096
  474   1HZ   LYS  65          1HZ       LYS  65   1.915  10.587   2.890
  475   2HZ   LYS  65          2HZ       LYS  65   0.719  11.625   3.349
  476   3HZ   LYS  65          3HZ       LYS  65   0.835  10.131   3.990
  477    H    MET  66           H        MET  66   1.629   5.435   0.873
  478    HA   MET  66           HA       MET  66  -0.251   4.824   2.899
  479   1HB   MET  66          1HB       MET  66  -0.099   3.755   0.623
  480   2HB   MET  66          2HB       MET  66   1.290   2.823   1.141
  481   1HG   MET  66          1HG       MET  66  -1.024   2.381   2.975
  482   2HG   MET  66          2HG       MET  66  -1.375   1.925   1.297
  483   1HE   MET  66          1HE       MET  66   1.622   1.359   0.241
  484   2HE   MET  66          2HE       MET  66   1.670  -0.420   0.417
  485   3HE   MET  66          3HE       MET  66   0.187   0.378  -0.190
  486    H    MET  67           H        MET  67   3.100   3.396   2.877
  487    HA   MET  67           HA       MET  67   3.173   2.479   5.614
  488   1HB   MET  67          1HB       MET  67   5.098   2.929   3.551
  489   2HB   MET  67          2HB       MET  67   5.633   3.969   4.857
  490   1HG   MET  67          1HG       MET  67   6.181   2.216   6.306
  491   2HG   MET  67          2HG       MET  67   4.936   1.123   5.673
  492   1HE   MET  67          1HE       MET  67   6.923  -0.449   6.136
  493   2HE   MET  67          2HE       MET  67   6.155  -1.154   4.682
  494   3HE   MET  67          3HE       MET  67   7.941  -1.020   4.778
  495    H    GLU  68           H        GLU  68   4.601   5.627   4.698
  496    HA   GLU  68           HA       GLU  68   5.234   6.438   7.265
  497   1HB   GLU  68          1HB       GLU  68   6.234   7.611   5.537
  498   2HB   GLU  68          2HB       GLU  68   4.742   8.057   4.766
  499   1HG   GLU  68          1HG       GLU  68   4.317   9.718   6.750
  500   2HG   GLU  68          2HG       GLU  68   5.935   9.351   7.319
  501    H    GLY  69           H        GLY  69   2.050   7.053   5.871
  502   1HA   GLY  69          1HA       GLY  69  -0.065   6.855   7.035
  503   2HA   GLY  69          2HA       GLY  69   0.885   6.389   8.451
  504    H    VAL  70           H        VAL  70  -1.513   7.822   8.513
  505    HA   VAL  70           HA       VAL  70  -1.231  10.713   8.743
  506    HB   VAL  70           HB       VAL  70  -3.376   8.745   9.554
  507   1HG1  VAL  70          1HG1      VAL  70  -3.408  11.707  10.482
  508   2HG1  VAL  70          2HG1      VAL  70  -4.814  10.612  10.511
  509   3HG1  VAL  70          3HG1      VAL  70  -3.418  10.273  11.537
  510   1HG2  VAL  70          1HG2      VAL  70  -3.354   9.702   7.214
  511   2HG2  VAL  70          2HG2      VAL  70  -4.812  10.173   8.074
  512   3HG2  VAL  70          3HG2      VAL  70  -3.484  11.352   7.859
  513    H    GLN  71           H        GLN  71  -1.584  11.964  10.866
  514    HA   GLN  71           HA       GLN  71   1.011  11.567  12.280
  515   1HB   GLN  71          1HB       GLN  71   0.359  13.705  13.465
  516   2HB   GLN  71          2HB       GLN  71   0.435  13.802  11.708
  517   1HG   GLN  71          1HG       GLN  71  -2.288  13.121  12.198
  518   2HG   GLN  71          2HG       GLN  71  -1.928  14.169  13.558
  519   1HE2  GLN  71          1HE2      GLN  71  -3.193  16.267  10.764
  520   2HE2  GLN  71          2HE2      GLN  71  -3.796  14.803  11.721
  521   1HN   NH2  72          1HN       NH2  72  -2.463  10.953  13.111
  522   2HN   NH2  72          2HN       NH2  72  -2.149  10.247  14.719
   
  No H/Q in entry =         522
  Start of MODEL   29
    1   1H    ACE   1          1HH3      ACE   1  20.266  11.311   0.585
    2   2H    ACE   1          2HH3      ACE   1  21.549  11.806  -0.576
    3   3H    ACE   1          3HH3      ACE   1  20.216  12.922  -0.163
    4    H    LYS   2           H        LYS   2  20.490   9.544  -1.301
    5    HA   LYS   2           HA       LYS   2  17.801   9.754  -2.579
    6   1HB   LYS   2          1HB       LYS   2  20.288   9.490  -4.261
    7   2HB   LYS   2          2HB       LYS   2  18.963   8.451  -4.736
    8   1HG   LYS   2          1HG       LYS   2  17.533  10.428  -5.260
    9   2HG   LYS   2          2HG       LYS   2  18.537  11.494  -4.310
   10   1HD   LYS   2          1HD       LYS   2  19.560  10.110  -6.882
   11   2HD   LYS   2          2HD       LYS   2  18.746  11.675  -6.909
   12   1HE   LYS   2          1HE       LYS   2  20.446  12.667  -5.363
   13   2HE   LYS   2          2HE       LYS   2  21.311  11.125  -5.226
   14   1HZ   LYS   2          1HZ       LYS   2  20.947  12.607  -7.889
   15   2HZ   LYS   2          2HZ       LYS   2  22.285  12.613  -6.981
   16   3HZ   LYS   2          3HZ       LYS   2  21.886  11.256  -7.652
   17    H    SER   3           H        SER   3  17.015   8.241  -1.233
   18    HA   SER   3           HA       SER   3  18.204   5.440  -1.037
   19   1HB   SER   3          1HB       SER   3  19.630   6.696   0.432
   20   2HB   SER   3          2HB       SER   3  18.309   7.550   1.194
   21    HG   SER   3           HG       SER   3  19.082   4.822   1.429
   22    H    GLU   4           H        GLU   4  15.924   5.511  -2.117
   23    HA   GLU   4           HA       GLU   4  13.840   4.728  -0.026
   24   1HB   GLU   4          1HB       GLU   4  13.427   4.937  -3.026
   25   2HB   GLU   4          2HB       GLU   4  12.311   4.234  -1.881
   26   1HG   GLU   4          1HG       GLU   4  12.205   6.876  -2.769
   27   2HG   GLU   4          2HG       GLU   4  11.437   6.319  -1.287
   28    H    GLU   5           H        GLU   5  16.162   3.382   0.098
   29    HA   GLU   5           HA       GLU   5  16.255   0.935  -1.452
   30   1HB   GLU   5          1HB       GLU   5  18.068   2.268  -0.027
   31   2HB   GLU   5          2HB       GLU   5  17.676   1.113   1.212
   32   1HG   GLU   5          1HG       GLU   5  19.628   0.230   0.067
   33   2HG   GLU   5          2HG       GLU   5  18.304  -0.792  -0.462
   34    H    GLU   6           H        GLU   6  15.685   0.905   2.103
   35    HA   GLU   6           HA       GLU   6  14.384  -1.623   2.234
   36   1HB   GLU   6          1HB       GLU   6  13.386  -0.818   4.425
   37   2HB   GLU   6          2HB       GLU   6  15.116  -0.825   4.266
   38   1HG   GLU   6          1HG       GLU   6  15.219   1.645   4.141
   39   2HG   GLU   6          2HG       GLU   6  13.489   1.787   3.893
   40    H    LEU   7           H        LEU   7  12.875   1.355   1.163
   41    HA   LEU   7           HA       LEU   7  10.153   0.150   0.836
   42   1HB   LEU   7          1HB       LEU   7  11.422   2.650  -0.411
   43   2HB   LEU   7          2HB       LEU   7   9.748   2.199  -0.628
   44    HG   LEU   7           HG       LEU   7  10.666   3.943   1.304
   45   1HD1  LEU   7          1HD1      LEU   7   8.322   3.725   0.500
   46   2HD1  LEU   7          2HD1      LEU   7   8.097   2.222   1.431
   47   3HD1  LEU   7          3HD1      LEU   7   8.363   3.773   2.269
   48   1HD2  LEU   7          1HD2      LEU   7  10.225   1.232   2.762
   49   2HD2  LEU   7          2HD2      LEU   7  11.721   2.206   2.748
   50   3HD2  LEU   7          3HD2      LEU   7  10.281   2.828   3.556
   51    H    ALA   8           H        ALA   8  12.946   0.545  -1.378
   52    HA   ALA   8           HA       ALA   8  11.939  -0.845  -3.658
   53   1HB   ALA   8          1HB       ALA   8  14.794  -0.841  -2.464
   54   2HB   ALA   8          2HB       ALA   8  14.381  -1.317  -4.123
   55   3HB   ALA   8          3HB       ALA   8  14.105   0.347  -3.596
   56    H    ASN   9           H        ASN   9  14.244  -2.700  -1.614
   57    HA   ASN   9           HA       ASN   9  13.465  -5.324  -1.660
   58   1HB   ASN   9          1HB       ASN   9  13.759  -3.696   0.961
   59   2HB   ASN   9          2HB       ASN   9  13.776  -5.436   0.891
   60   1HD2  ASN   9          1HD2      ASN   9  17.304  -4.321   0.854
   61   2HD2  ASN   9          2HD2      ASN   9  15.882  -4.210   1.985
   62    H    ALA  10           H        ALA  10  11.461  -2.990   0.181
   63    HA   ALA  10           HA       ALA  10   9.479  -5.034   1.069
   64   1HB   ALA  10          1HB       ALA  10  10.164  -3.050   2.431
   65   2HB   ALA  10          2HB       ALA  10   9.421  -1.942   1.247
   66   3HB   ALA  10          3HB       ALA  10   8.408  -3.068   2.177
   67    H    PHE  11           H        PHE  11   9.375  -2.499  -1.457
   68    HA   PHE  11           HA       PHE  11   6.651  -3.047  -2.393
   69   1HB   PHE  11          1HB       PHE  11   7.930  -0.932  -2.787
   70   2HB   PHE  11          2HB       PHE  11   9.031  -1.761  -3.835
   71    HD1  PHE  11           HD1      PHE  11   8.306  -2.524  -6.173
   72    HD2  PHE  11           HD2      PHE  11   5.682  -0.254  -3.628
   73    HE1  PHE  11           HE1      PHE  11   6.947  -1.880  -8.126
   74    HE2  PHE  11           HE2      PHE  11   4.319   0.347  -5.586
   75    HZ   PHE  11           HZ       PHE  11   4.948  -0.447  -7.832
   76    H    ARG  12           H        ARG  12   9.768  -4.365  -3.600
   77    HA   ARG  12           HA       ARG  12   8.529  -6.327  -5.377
   78   1HB   ARG  12          1HB       ARG  12  10.663  -7.193  -5.746
   79   2HB   ARG  12          2HB       ARG  12  11.007  -5.529  -5.289
   80   1HG   ARG  12          1HG       ARG  12  12.125  -6.144  -3.344
   81   2HG   ARG  12          2HG       ARG  12  10.969  -7.417  -2.934
   82   1HD   ARG  12          1HD       ARG  12  12.973  -8.635  -3.401
   83   2HD   ARG  12          2HD       ARG  12  12.030  -8.810  -4.907
   84    HE   ARG  12           HE       ARG  12  14.058  -6.519  -4.658
   85   1HH1  ARG  12          2HH1      ARG  12  13.042  -9.389  -6.313
   86   2HH1  ARG  12          1HH1      ARG  12  14.235  -9.126  -7.673
   87   1HH2  ARG  12          1HH2      ARG  12  15.370  -6.231  -6.196
   88   2HH2  ARG  12          2HH2      ARG  12  15.496  -7.400  -7.590
   89    H    ILE  13           H        ILE  13   9.037  -6.401  -1.913
   90    HA   ILE  13           HA       ILE  13   8.470  -9.302  -1.498
   91    HB   ILE  13           HB       ILE  13   8.659  -6.908   0.382
   92   1HG1  ILE  13          1HG1      ILE  13  10.816  -8.078  -0.423
   93   2HG1  ILE  13          2HG1      ILE  13  10.628  -7.909   1.301
   94   1HG2  ILE  13          1HG2      ILE  13   6.818  -8.339   1.354
   95   2HG2  ILE  13          2HG2      ILE  13   7.855  -9.782   1.259
   96   3HG2  ILE  13          3HG2      ILE  13   8.247  -8.450   2.364
   97   1HD1  ILE  13          1HD1      ILE  13   9.888 -10.301   1.557
   98   2HD1  ILE  13          2HD1      ILE  13  10.128 -10.555  -0.190
   99   3HD1  ILE  13          3HD1      ILE  13  11.511 -10.148   0.845
  100    H    PHE  14           H        PHE  14   6.544  -6.376  -1.680
  101    HA   PHE  14           HA       PHE  14   3.931  -7.547  -0.748
  102   1HB   PHE  14          1HB       PHE  14   4.716  -4.947  -2.203
  103   2HB   PHE  14          2HB       PHE  14   3.051  -5.395  -2.028
  104    HD1  PHE  14           HD1      PHE  14   5.220  -6.344   0.790
  105    HD2  PHE  14           HD2      PHE  14   2.706  -3.234  -0.776
  106    HE1  PHE  14           HE1      PHE  14   5.042  -5.351   3.037
  107    HE2  PHE  14           HE2      PHE  14   2.549  -2.233   1.469
  108    HZ   PHE  14           HZ       PHE  14   3.718  -3.281   3.378
  109    H    ASP  15           H        ASP  15   5.624  -7.178  -3.815
  110    HA   ASP  15           HA       ASP  15   3.244  -7.384  -5.513
  111   1HB   ASP  15          1HB       ASP  15   5.276  -6.010  -6.018
  112   2HB   ASP  15          2HB       ASP  15   6.243  -7.460  -6.239
  113    H    LYS  16           H        LYS  16   2.143  -9.168  -6.214
  114    HA   LYS  16           HA       LYS  16   3.207 -11.785  -5.105
  115   1HB   LYS  16          1HB       LYS  16   1.157 -11.882  -4.168
  116   2HB   LYS  16          2HB       LYS  16   0.546 -10.556  -5.117
  117   1HG   LYS  16          1HG       LYS  16  -0.622 -11.999  -6.547
  118   2HG   LYS  16          2HG       LYS  16   0.723 -13.126  -6.666
  119   1HD   LYS  16          1HD       LYS  16  -1.678 -13.247  -4.922
  120   2HD   LYS  16          2HD       LYS  16  -0.603 -14.525  -5.483
  121   1HE   LYS  16          1HE       LYS  16   0.081 -14.807  -3.356
  122   2HE   LYS  16          2HE       LYS  16   1.066 -13.346  -3.570
  123   1HZ   LYS  16          1HZ       LYS  16  -1.487 -12.289  -3.043
  124   2HZ   LYS  16          2HZ       LYS  16  -1.456 -13.620  -2.065
  125   3HZ   LYS  16          3HZ       LYS  16  -0.299 -12.485  -1.924
  126    H    ASN  17           H        ASN  17   1.398 -10.618  -7.985
  127    HA   ASN  17           HA       ASN  17   2.380 -12.949  -9.598
  128   1HB   ASN  17          1HB       ASN  17   0.252 -10.806 -10.089
  129   2HB   ASN  17          2HB       ASN  17   0.722 -11.908 -11.355
  130   1HD2  ASN  17          1HD2      ASN  17  -0.833 -14.535  -9.029
  131   2HD2  ASN  17          2HD2      ASN  17   0.850 -14.301  -9.606
  132    H    ALA  18           H        ALA  18   2.722  -9.399  -9.789
  133    HA   ALA  18           HA       ALA  18   4.872  -8.332 -10.075
  134   1HB   ALA  18          1HB       ALA  18   5.800 -10.582  -9.406
  135   2HB   ALA  18          2HB       ALA  18   5.731 -11.108 -11.102
  136   3HB   ALA  18          3HB       ALA  18   6.821  -9.791 -10.638
  137    H    ASP  19           H        ASP  19   2.828  -8.184 -12.175
  138    HA   ASP  19           HA       ASP  19   4.285  -7.476 -14.680
  139   1HB   ASP  19          1HB       ASP  19   1.669  -6.475 -13.400
  140   2HB   ASP  19          2HB       ASP  19   2.276  -5.820 -14.914
  141    H    GLY  20           H        GLY  20   4.187  -6.102 -11.489
  142   1HA   GLY  20          1HA       GLY  20   6.600  -4.765 -11.180
  143   2HA   GLY  20          2HA       GLY  20   5.810  -3.686 -12.341
  144    H    TYR  21           H        TYR  21   3.176  -3.800 -11.322
  145    HA   TYR  21           HA       TYR  21   3.520  -1.942  -8.885
  146   1HB   TYR  21          1HB       TYR  21   2.016  -0.334  -9.951
  147   2HB   TYR  21          2HB       TYR  21   3.371  -0.657 -10.991
  148    HD1  TYR  21           HD1      TYR  21  -0.260  -1.690 -10.557
  149    HD2  TYR  21           HD2      TYR  21   3.026  -1.074 -13.264
  150    HE1  TYR  21           HE1      TYR  21  -1.739  -2.138 -12.488
  151    HE2  TYR  21           HE2      TYR  21   1.522  -1.495 -15.170
  152    HH   TYR  21           HH       TYR  21  -1.874  -1.662 -14.823
  153    H    ILE  22           H        ILE  22   1.268  -1.231  -8.031
  154    HA   ILE  22           HA       ILE  22   0.132  -3.902  -7.034
  155    HB   ILE  22           HB       ILE  22   0.221  -1.281  -5.452
  156   1HG1  ILE  22          1HG1      ILE  22   2.281  -3.572  -5.472
  157   2HG1  ILE  22          2HG1      ILE  22   2.569  -1.870  -5.710
  158   1HG2  ILE  22          1HG2      ILE  22  -1.524  -2.929  -4.636
  159   2HG2  ILE  22          2HG2      ILE  22  -0.288  -4.192  -4.484
  160   3HG2  ILE  22          3HG2      ILE  22  -0.252  -2.749  -3.440
  161   1HD1  ILE  22          1HD1      ILE  22   1.929  -1.369  -3.296
  162   2HD1  ILE  22          2HD1      ILE  22   1.833  -3.124  -3.004
  163   3HD1  ILE  22          3HD1      ILE  22   3.376  -2.390  -3.490
  164    H    ASP  23           H        ASP  23  -2.058  -4.135  -6.637
  165    HA   ASP  23           HA       ASP  23  -3.950  -1.953  -7.660
  166   1HB   ASP  23          1HB       ASP  23  -5.296  -3.772  -8.718
  167   2HB   ASP  23          2HB       ASP  23  -3.646  -3.750  -9.325
  168    H    ILE  24           H        ILE  24  -6.326  -2.567  -7.078
  169    HA   ILE  24           HA       ILE  24  -6.503  -2.282  -4.084
  170    HB   ILE  24           HB       ILE  24  -7.943  -1.102  -6.069
  171   1HG1  ILE  24          1HG1      ILE  24  -9.416  -1.560  -3.413
  172   2HG1  ILE  24          2HG1      ILE  24  -7.897  -0.705  -3.406
  173   1HG2  ILE  24          1HG2      ILE  24  -9.223  -3.193  -6.726
  174   2HG2  ILE  24          2HG2      ILE  24  -9.844  -3.348  -5.071
  175   3HG2  ILE  24          3HG2      ILE  24 -10.321  -1.975  -6.101
  176   1HD1  ILE  24          1HD1      ILE  24  -8.786   0.993  -5.083
  177   2HD1  ILE  24          2HD1      ILE  24 -10.394   0.245  -4.923
  178   3HD1  ILE  24          3HD1      ILE  24  -9.623   0.992  -3.508
  179    H    GLU  25           H        GLU  25  -7.015  -4.804  -6.428
  180    HA   GLU  25           HA       GLU  25  -8.456  -6.724  -4.634
  181   1HB   GLU  25          1HB       GLU  25  -8.922  -7.198  -6.824
  182   2HB   GLU  25          2HB       GLU  25  -7.329  -6.831  -7.414
  183   1HG   GLU  25          1HG       GLU  25  -6.511  -9.081  -6.347
  184   2HG   GLU  25          2HG       GLU  25  -8.189  -9.449  -5.991
  185    H    GLU  26           H        GLU  26  -5.097  -5.985  -5.331
  186    HA   GLU  26           HA       GLU  26  -3.977  -8.361  -3.880
  187   1HB   GLU  26          1HB       GLU  26  -2.677  -5.969  -5.230
  188   2HB   GLU  26          2HB       GLU  26  -1.738  -7.055  -4.251
  189   1HG   GLU  26          1HG       GLU  26  -2.447  -9.002  -5.817
  190   2HG   GLU  26          2HG       GLU  26  -3.276  -7.836  -6.832
  191    H    LEU  27           H        LEU  27  -4.627  -5.007  -3.026
  192    HA   LEU  27           HA       LEU  27  -2.782  -4.539  -0.802
  193   1HB   LEU  27          1HB       LEU  27  -4.166  -2.794  -1.897
  194   2HB   LEU  27          2HB       LEU  27  -5.634  -3.496  -1.269
  195    HG   LEU  27           HG       LEU  27  -4.740  -1.385  -0.067
  196   1HD1  LEU  27          1HD1      LEU  27  -6.551  -2.829   0.867
  197   2HD1  LEU  27          2HD1      LEU  27  -5.349  -3.877   1.672
  198   3HD1  LEU  27          3HD1      LEU  27  -5.537  -2.164   2.146
  199   1HD2  LEU  27          1HD2      LEU  27  -2.774  -3.419   1.228
  200   2HD2  LEU  27          2HD2      LEU  27  -2.323  -2.041   0.180
  201   3HD2  LEU  27          3HD2      LEU  27  -3.062  -1.738   1.757
  202    H    GLY  28           H        GLY  28  -6.211  -5.599  -0.453
  203   1HA   GLY  28          1HA       GLY  28  -6.307  -5.812   2.459
  204   2HA   GLY  28          2HA       GLY  28  -7.328  -6.740   1.354
  205    H    GLU  29           H        GLU  29  -5.521  -8.386   0.086
  206    HA   GLU  29           HA       GLU  29  -5.195 -10.544   2.132
  207   1HB   GLU  29          1HB       GLU  29  -4.498 -11.986   0.307
  208   2HB   GLU  29          2HB       GLU  29  -6.012 -11.199  -0.019
  209   1HG   GLU  29          1HG       GLU  29  -4.640  -9.511  -1.541
  210   2HG   GLU  29          2HG       GLU  29  -3.291 -10.618  -1.373
  211    H    ILE  30           H        ILE  30  -3.040  -8.265   0.577
  212    HA   ILE  30           HA       ILE  30  -0.405  -9.389   1.392
  213    HB   ILE  30           HB       ILE  30  -1.334  -6.585   0.648
  214   1HG1  ILE  30          1HG1      ILE  30  -0.873  -7.710  -1.384
  215   2HG1  ILE  30          2HG1      ILE  30   0.618  -6.861  -1.078
  216   1HG2  ILE  30          1HG2      ILE  30   0.358  -6.233   2.484
  217   2HG2  ILE  30          2HG2      ILE  30   1.527  -7.276   1.633
  218   3HG2  ILE  30          3HG2      ILE  30   1.014  -5.714   0.935
  219   1HD1  ILE  30          1HD1      ILE  30   0.299  -9.879  -0.486
  220   2HD1  ILE  30          2HD1      ILE  30   1.130  -9.130  -1.865
  221   3HD1  ILE  30          3HD1      ILE  30   1.761  -8.894  -0.224
  222    H    LEU  31           H        LEU  31  -2.327  -6.755   2.910
  223    HA   LEU  31           HA       LEU  31  -1.174  -6.757   5.544
  224   1HB   LEU  31          1HB       LEU  31  -4.175  -6.495   5.419
  225   2HB   LEU  31          2HB       LEU  31  -3.013  -5.536   6.301
  226    HG   LEU  31           HG       LEU  31  -3.574  -5.334   3.282
  227   1HD1  LEU  31          1HD1      LEU  31  -4.254  -3.449   5.639
  228   2HD1  LEU  31          2HD1      LEU  31  -4.477  -3.064   3.911
  229   3HD1  LEU  31          3HD1      LEU  31  -5.390  -4.392   4.634
  230   1HD2  LEU  31          1HD2      LEU  31  -1.604  -3.690   5.030
  231   2HD2  LEU  31          2HD2      LEU  31  -1.187  -4.736   3.644
  232   3HD2  LEU  31          3HD2      LEU  31  -2.107  -3.252   3.376
  233    H    ARG  32           H        ARG  32  -3.787  -8.896   4.424
  234    HA   ARG  32           HA       ARG  32  -3.887 -10.190   7.202
  235   1HB   ARG  32          1HB       ARG  32  -5.914  -9.320   5.083
  236   2HB   ARG  32          2HB       ARG  32  -6.400 -10.484   6.314
  237   1HG   ARG  32          1HG       ARG  32  -6.503  -8.830   7.960
  238   2HG   ARG  32          2HG       ARG  32  -4.980  -8.090   7.434
  239   1HD   ARG  32          1HD       ARG  32  -7.213  -6.688   7.119
  240   2HD   ARG  32          2HD       ARG  32  -6.031  -6.697   5.791
  241    HE   ARG  32           HE       ARG  32  -7.481  -8.235   4.504
  242   1HH1  ARG  32          2HH1      ARG  32  -8.891  -7.538   7.602
  243   2HH1  ARG  32          1HH1      ARG  32 -10.505  -8.237   7.108
  244   1HH2  ARG  32          1HH2      ARG  32  -9.320  -8.992   3.976
  245   2HH2  ARG  32          2HH2      ARG  32 -10.719  -8.998   5.144
  246    H    ALA  33           H        ALA  33  -2.318 -11.179   4.686
  247    HA   ALA  33           HA       ALA  33  -3.177 -14.082   5.116
  248   1HB   ALA  33          1HB       ALA  33  -3.162 -13.254   2.768
  249   2HB   ALA  33          2HB       ALA  33  -1.444 -12.791   2.906
  250   3HB   ALA  33          3HB       ALA  33  -1.922 -14.501   2.988
  251    H    THR  34           H        THR  34  -1.042 -15.528   4.556
  252    HA   THR  34           HA       THR  34   1.280 -14.732   6.316
  253    HB   THR  34           HB       THR  34   0.173 -17.540   6.773
  254    HG1  THR  34           HG1      THR  34  -1.166 -16.893   8.218
  255   1HG2  THR  34          2HG2      THR  34   2.525 -16.838   7.568
  256   2HG2  THR  34          3HG2      THR  34   1.760 -15.610   8.610
  257   3HG2  THR  34          1HG2      THR  34   1.451 -17.331   8.902
  258    H    GLY  35           H        GLY  35   2.777 -14.756   4.611
  259   1HA   GLY  35          1HA       GLY  35   3.292 -15.042   2.205
  260   2HA   GLY  35          2HA       GLY  35   3.709 -16.638   2.841
  261   1HN   NH2  36          1HN       NH2  36   2.429 -18.491   2.352
  262   2HN   NH2  36          2HN       NH2  36   1.102 -18.435   1.161
  263   1H    ACE  37          1HH3      ACE  37 -14.621  -7.020  13.565
  264   2H    ACE  37          2HH3      ACE  37 -12.963  -7.392  14.150
  265   3H    ACE  37          3HH3      ACE  37 -13.823  -5.950  14.749
  266    H    VAL  38           H        VAL  38 -12.864  -7.383  11.621
  267    HA   VAL  38           HA       VAL  38 -12.554  -4.597  10.423
  268    HB   VAL  38           HB       VAL  38 -10.443  -6.759   9.907
  269   1HG1  VAL  38          1HG1      VAL  38 -10.596  -3.786   9.018
  270   2HG1  VAL  38          2HG1      VAL  38  -9.162  -4.817   8.812
  271   3HG1  VAL  38          3HG1      VAL  38 -10.661  -5.210   7.964
  272   1HG2  VAL  38          1HG2      VAL  38 -10.127  -5.837  12.245
  273   2HG2  VAL  38          2HG2      VAL  38  -8.826  -5.281  11.169
  274   3HG2  VAL  38          3HG2      VAL  38 -10.158  -4.181  11.602
  275    H    THR  39           H        THR  39 -12.893  -4.602   8.130
  276    HA   THR  39           HA       THR  39 -14.097  -7.069   6.864
  277    HB   THR  39           HB       THR  39 -16.151  -5.943   6.055
  278    HG1  THR  39           HG1      THR  39 -16.728  -4.006   6.652
  279   1HG2  THR  39          2HG2      THR  39 -15.845  -5.842   9.138
  280   2HG2  THR  39          3HG2      THR  39 -17.392  -5.891   8.259
  281   3HG2  THR  39          1HG2      THR  39 -16.283  -7.275   8.180
  282    H    GLU  40           H        GLU  40 -15.030  -5.810   4.527
  283    HA   GLU  40           HA       GLU  40 -12.559  -4.967   3.115
  284   1HB   GLU  40          1HB       GLU  40 -13.668  -5.252   1.129
  285   2HB   GLU  40          2HB       GLU  40 -14.422  -6.422   2.168
  286   1HG   GLU  40          1HG       GLU  40 -16.243  -4.300   2.436
  287   2HG   GLU  40          2HG       GLU  40 -15.649  -4.001   0.813
  288    H    GLU  41           H        GLU  41 -15.471  -3.174   4.077
  289    HA   GLU  41           HA       GLU  41 -14.789  -0.684   2.804
  290   1HB   GLU  41          1HB       GLU  41 -16.562  -0.794   5.266
  291   2HB   GLU  41          2HB       GLU  41 -16.637   0.323   3.938
  292   1HG   GLU  41          1HG       GLU  41 -17.099  -2.246   2.706
  293   2HG   GLU  41          2HG       GLU  41 -17.962  -2.330   4.230
  294    H    ASP  42           H        ASP  42 -13.797  -1.699   6.084
  295    HA   ASP  42           HA       ASP  42 -12.175   0.550   6.777
  296   1HB   ASP  42          1HB       ASP  42 -11.928  -2.458   7.225
  297   2HB   ASP  42          2HB       ASP  42 -10.581  -1.436   7.708
  298    H    ILE  43           H        ILE  43 -11.174  -2.092   4.589
  299    HA   ILE  43           HA       ILE  43  -8.474  -0.949   3.930
  300    HB   ILE  43           HB       ILE  43 -10.122  -3.236   2.799
  301   1HG1  ILE  43          1HG1      ILE  43  -8.175  -4.650   3.312
  302   2HG1  ILE  43          2HG1      ILE  43  -7.153  -3.272   3.617
  303   1HG2  ILE  43          1HG2      ILE  43  -9.224  -2.107   0.725
  304   2HG2  ILE  43          2HG2      ILE  43  -7.584  -2.106   1.404
  305   3HG2  ILE  43          3HG2      ILE  43  -8.392  -3.635   0.976
  306   1HD1  ILE  43          1HD1      ILE  43  -8.487  -2.637   5.672
  307   2HD1  ILE  43          2HD1      ILE  43  -9.455  -4.122   5.477
  308   3HD1  ILE  43          3HD1      ILE  43  -7.707  -4.231   5.776
  309    H    GLU  44           H        GLU  44 -11.732  -0.746   2.560
  310    HA   GLU  44           HA       GLU  44 -10.922   0.759   0.096
  311   1HB   GLU  44          1HB       GLU  44 -12.837   0.016  -0.674
  312   2HB   GLU  44          2HB       GLU  44 -13.191  -0.733   0.853
  313   1HG   GLU  44          1HG       GLU  44 -15.110   0.552   0.860
  314   2HG   GLU  44          2HG       GLU  44 -14.104   1.911   1.326
  315    H    ASP  45           H        ASP  45 -11.991   1.628   3.308
  316    HA   ASP  45           HA       ASP  45 -12.447   4.553   2.806
  317   1HB   ASP  45          1HB       ASP  45 -12.282   2.753   5.271
  318   2HB   ASP  45          2HB       ASP  45 -12.144   4.493   5.484
  319    H    LEU  46           H        LEU  46  -9.752   2.638   4.138
  320    HA   LEU  46           HA       LEU  46  -7.908   4.921   4.580
  321   1HB   LEU  46          1HB       LEU  46  -7.797   2.725   5.752
  322   2HB   LEU  46          2HB       LEU  46  -7.324   1.914   4.278
  323    HG   LEU  46           HG       LEU  46  -5.112   2.934   4.252
  324   1HD1  LEU  46          1HD1      LEU  46  -6.312   4.921   6.230
  325   2HD1  LEU  46          2HD1      LEU  46  -4.544   4.653   6.204
  326   3HD1  LEU  46          3HD1      LEU  46  -5.403   5.215   4.741
  327   1HD2  LEU  46          1HD2      LEU  46  -5.836   1.213   6.275
  328   2HD2  LEU  46          2HD2      LEU  46  -4.166   1.823   6.090
  329   3HD2  LEU  46          3HD2      LEU  46  -5.294   2.577   7.256
  330    H    MET  47           H        MET  47  -7.803   2.510   1.943
  331    HA   MET  47           HA       MET  47  -5.735   3.858   0.408
  332   1HB   MET  47          1HB       MET  47  -6.181   1.491   0.065
  333   2HB   MET  47          2HB       MET  47  -7.840   1.792  -0.423
  334   1HG   MET  47          1HG       MET  47  -7.190   1.864  -2.610
  335   2HG   MET  47          2HG       MET  47  -6.264   3.338  -2.274
  336   1HE   MET  47          1HE       MET  47  -5.856   0.854  -4.351
  337   2HE   MET  47          2HE       MET  47  -4.839   2.321  -4.428
  338   3HE   MET  47          3HE       MET  47  -4.064   0.711  -4.381
  339    H    LYS  48           H        LYS  48  -9.284   4.092   0.117
  340    HA   LYS  48           HA       LYS  48  -9.219   6.122  -2.080
  341   1HB   LYS  48          1HB       LYS  48 -10.986   4.268  -1.392
  342   2HB   LYS  48          2HB       LYS  48 -11.662   5.459  -0.324
  343   1HG   LYS  48          1HG       LYS  48 -12.704   5.192  -2.748
  344   2HG   LYS  48          2HG       LYS  48 -12.475   6.801  -2.139
  345   1HD   LYS  48          1HD       LYS  48 -10.375   7.139  -3.395
  346   2HD   LYS  48          2HD       LYS  48 -10.357   5.519  -4.008
  347   1HE   LYS  48          1HE       LYS  48 -11.215   6.862  -5.846
  348   2HE   LYS  48          2HE       LYS  48 -12.654   6.098  -5.195
  349   1HZ   LYS  48          1HZ       LYS  48 -11.868   8.855  -4.207
  350   2HZ   LYS  48          2HZ       LYS  48 -12.840   8.625  -5.497
  351   3HZ   LYS  48          3HZ       LYS  48 -13.351   8.128  -4.083
  352    H    ASP  49           H        ASP  49  -8.877   6.324   1.344
  353    HA   ASP  49           HA       ASP  49  -9.260   9.314   1.521
  354   1HB   ASP  49          1HB       ASP  49  -9.326   7.850   3.572
  355   2HB   ASP  49          2HB       ASP  49  -7.634   7.427   3.346
  356    H    SER  50           H        SER  50  -6.402   7.186   1.126
  357    HA   SER  50           HA       SER  50  -4.527   9.482   0.541
  358   1HB   SER  50          1HB       SER  50  -4.289   6.554   1.105
  359   2HB   SER  50          2HB       SER  50  -3.212   7.069  -0.190
  360    HG   SER  50           HG       SER  50  -3.304   8.822   1.949
  361    H    ASP  51           H        ASP  51  -6.844   7.828  -1.273
  362    HA   ASP  51           HA       ASP  51  -5.605   7.668  -3.883
  363   1HB   ASP  51          1HB       ASP  51  -7.725   6.517  -3.204
  364   2HB   ASP  51          2HB       ASP  51  -8.584   8.050  -3.164
  365    H    LYS  52           H        LYS  52  -4.813   9.119  -5.172
  366    HA   LYS  52           HA       LYS  52  -5.633  12.010  -5.414
  367   1HB   LYS  52          1HB       LYS  52  -4.131  10.218  -7.394
  368   2HB   LYS  52          2HB       LYS  52  -4.198  11.951  -7.482
  369   1HG   LYS  52          1HG       LYS  52  -2.441  10.142  -5.806
  370   2HG   LYS  52          2HG       LYS  52  -2.085  11.695  -6.492
  371   1HD   LYS  52          1HD       LYS  52  -3.787  11.354  -3.956
  372   2HD   LYS  52          2HD       LYS  52  -2.088  11.683  -3.897
  373   1HE   LYS  52          1HE       LYS  52  -4.233  13.565  -5.181
  374   2HE   LYS  52          2HE       LYS  52  -3.604  13.728  -3.543
  375   1HZ   LYS  52          1HZ       LYS  52  -1.594  13.714  -5.817
  376   2HZ   LYS  52          2HZ       LYS  52  -2.411  15.079  -5.453
  377   3HZ   LYS  52          3HZ       LYS  52  -1.465  14.460  -4.344
  378    H    ASN  53           H        ASN  53  -5.960  11.890  -8.367
  379    HA   ASN  53           HA       ASN  53  -8.723  11.108  -8.785
  380   1HB   ASN  53          1HB       ASN  53  -8.263  11.576 -11.208
  381   2HB   ASN  53          2HB       ASN  53  -7.594  12.812 -10.180
  382   1HD2  ASN  53          1HD2      ASN  53  -5.143  11.459 -12.829
  383   2HD2  ASN  53          2HD2      ASN  53  -6.950  11.655 -12.935
  384    H    ASN  54           H        ASN  54  -5.845   9.427 -10.085
  385    HA   ASN  54           HA       ASN  54  -5.412   7.094 -10.539
  386   1HB   ASN  54          1HB       ASN  54  -7.256   7.079  -8.052
  387   2HB   ASN  54          2HB       ASN  54  -6.448   5.643  -8.619
  388   1HD2  ASN  54          1HD2      ASN  54  -3.477   8.158  -7.668
  389   2HD2  ASN  54          2HD2      ASN  54  -4.445   8.334  -9.199
  390    H    ASP  55           H        ASP  55  -6.360   6.788 -12.604
  391    HA   ASP  55           HA       ASP  55  -8.739   5.651 -13.461
  392   1HB   ASP  55          1HB       ASP  55  -5.865   4.657 -13.892
  393   2HB   ASP  55          2HB       ASP  55  -7.214   3.869 -14.698
  394    H    GLY  56           H        GLY  56  -6.627   4.009 -11.119
  395   1HA   GLY  56          1HA       GLY  56  -8.684   2.337  -9.954
  396   2HA   GLY  56          2HA       GLY  56  -7.883   1.313 -11.152
  397    H    ARG  57           H        ARG  57  -5.217   2.403 -10.740
  398    HA   ARG  57           HA       ARG  57  -4.603   0.578  -8.351
  399   1HB   ARG  57          1HB       ARG  57  -3.198   0.542 -11.082
  400   2HB   ARG  57          2HB       ARG  57  -3.070  -0.655  -9.794
  401   1HG   ARG  57          1HG       ARG  57  -4.654  -1.795 -11.054
  402   2HG   ARG  57          2HG       ARG  57  -5.807  -0.767 -10.206
  403   1HD   ARG  57          1HD       ARG  57  -6.240   0.567 -12.118
  404   2HD   ARG  57          2HD       ARG  57  -4.579   0.447 -12.698
  405    HE   ARG  57           HE       ARG  57  -4.938  -1.743 -13.711
  406   1HH1  ARG  57          2HH1      ARG  57  -7.821  -0.806 -12.033
  407   2HH1  ARG  57          1HH1      ARG  57  -8.786  -2.148 -12.842
  408   1HH2  ARG  57          1HH2      ARG  57  -6.046  -3.093 -14.668
  409   2HH2  ARG  57          2HH2      ARG  57  -7.826  -3.351 -14.320
  410    H    ILE  58           H        ILE  58  -2.344   0.486  -7.639
  411    HA   ILE  58           HA       ILE  58  -1.005   3.222  -7.611
  412    HB   ILE  58           HB       ILE  58  -0.954   0.918  -5.602
  413   1HG1  ILE  58          1HG1      ILE  58  -2.036   3.810  -5.373
  414   2HG1  ILE  58          2HG1      ILE  58  -3.004   2.368  -5.506
  415   1HG2  ILE  58          1HG2      ILE  58   1.351   1.968  -5.629
  416   2HG2  ILE  58          2HG2      ILE  58   0.641   3.576  -5.389
  417   3HG2  ILE  58          3HG2      ILE  58   0.524   2.336  -4.119
  418   1HD1  ILE  58          1HD1      ILE  58  -2.141   1.490  -3.289
  419   2HD1  ILE  58          2HD1      ILE  58  -1.247   3.015  -3.063
  420   3HD1  ILE  58          3HD1      ILE  58  -3.021   3.034  -3.165
  421    H    ASP  59           H        ASP  59   0.958   3.527  -8.564
  422    HA   ASP  59           HA       ASP  59   2.930   1.181  -8.642
  423   1HB   ASP  59          1HB       ASP  59   3.923   2.261 -10.663
  424   2HB   ASP  59          2HB       ASP  59   2.219   1.893 -10.889
  425    H    PHE  60           H        PHE  60   5.322   2.300  -8.988
  426    HA   PHE  60           HA       PHE  60   5.966   2.096  -6.184
  427   1HB   PHE  60          1HB       PHE  60   7.434   1.595  -8.283
  428   2HB   PHE  60          2HB       PHE  60   7.854   3.275  -8.306
  429    HD1  PHE  60           HD1      PHE  60   7.572   2.441  -4.840
  430    HD2  PHE  60           HD2      PHE  60  10.159   1.882  -8.223
  431    HE1  PHE  60           HE1      PHE  60   9.480   2.034  -3.326
  432    HE2  PHE  60           HE2      PHE  60  12.049   1.477  -6.714
  433    HZ   PHE  60           HZ       PHE  60  11.725   1.558  -4.262
  434    H    ASP  61           H        ASP  61   5.791   5.056  -8.137
  435    HA   ASP  61           HA       ASP  61   6.633   7.102  -6.234
  436   1HB   ASP  61          1HB       ASP  61   4.239   7.502  -8.209
  437   2HB   ASP  61          2HB       ASP  61   5.625   8.501  -7.839
  438    H    GLU  62           H        GLU  62   3.260   6.443  -7.004
  439    HA   GLU  62           HA       GLU  62   1.819   7.439  -4.738
  440   1HB   GLU  62          1HB       GLU  62   1.037   4.757  -5.896
  441   2HB   GLU  62          2HB       GLU  62   0.016   6.021  -5.280
  442   1HG   GLU  62          1HG       GLU  62   1.517   7.011  -7.659
  443   2HG   GLU  62          2HG       GLU  62   0.688   5.512  -8.038
  444    H    PHE  63           H        PHE  63   3.781   4.481  -4.764
  445    HA   PHE  63           HA       PHE  63   2.820   3.321  -2.171
  446   1HB   PHE  63          1HB       PHE  63   4.082   2.089  -4.058
  447   2HB   PHE  63          2HB       PHE  63   5.526   2.915  -3.577
  448    HD1  PHE  63           HD1      PHE  63   2.909   0.665  -1.927
  449    HD2  PHE  63           HD2      PHE  63   7.064   1.717  -2.310
  450    HE1  PHE  63           HE1      PHE  63   3.500  -0.960  -0.167
  451    HE2  PHE  63           HE2      PHE  63   7.632   0.081  -0.581
  452    HZ   PHE  63           HZ       PHE  63   5.851  -1.192   0.569
  453    H    LEU  64           H        LEU  64   5.699   5.254  -3.041
  454    HA   LEU  64           HA       LEU  64   6.755   5.685  -0.360
  455   1HB   LEU  64          1HB       LEU  64   6.995   7.398  -2.888
  456   2HB   LEU  64          2HB       LEU  64   7.867   7.775  -1.422
  457    HG   LEU  64           HG       LEU  64   8.181   5.037  -2.775
  458   1HD1  LEU  64          1HD1      LEU  64   9.707   7.649  -3.436
  459   2HD1  LEU  64          2HD1      LEU  64  10.217   6.015  -3.940
  460   3HD1  LEU  64          3HD1      LEU  64   8.682   6.668  -4.518
  461   1HD2  LEU  64          1HD2      LEU  64  10.022   6.663  -0.870
  462   2HD2  LEU  64          2HD2      LEU  64   9.168   5.138  -0.494
  463   3HD2  LEU  64          3HD2      LEU  64  10.482   5.142  -1.678
  464    H    LYS  65           H        LYS  65   4.168   7.450  -2.009
  465    HA   LYS  65           HA       LYS  65   3.685   9.349   0.258
  466   1HB   LYS  65          1HB       LYS  65   1.902   8.513  -2.098
  467   2HB   LYS  65          2HB       LYS  65   1.797  10.026  -1.219
  468   1HG   LYS  65          1HG       LYS  65   4.409  10.177  -2.242
  469   2HG   LYS  65          2HG       LYS  65   3.643   9.128  -3.449
  470   1HD   LYS  65          1HD       LYS  65   2.085  10.708  -4.142
  471   2HD   LYS  65          2HD       LYS  65   2.004  11.548  -2.590
  472   1HE   LYS  65          1HE       LYS  65   3.786  11.991  -5.019
  473   2HE   LYS  65          2HE       LYS  65   3.074  13.174  -3.907
  474   1HZ   LYS  65          1HZ       LYS  65   4.787  12.167  -2.136
  475   2HZ   LYS  65          2HZ       LYS  65   5.548  11.502  -3.415
  476   3HZ   LYS  65          3HZ       LYS  65   5.449  13.104  -3.321
  477    H    MET  66           H        MET  66   1.676   6.614  -0.972
  478    HA   MET  66           HA       MET  66  -0.102   6.172   1.104
  479   1HB   MET  66          1HB       MET  66   0.098   4.814  -1.022
  480   2HB   MET  66          2HB       MET  66   1.444   3.933  -0.331
  481   1HG   MET  66          1HG       MET  66  -0.712   3.676   1.596
  482   2HG   MET  66          2HG       MET  66  -1.391   3.335  -0.008
  483   1HE   MET  66          1HE       MET  66   1.197   2.401  -1.620
  484   2HE   MET  66          2HE       MET  66   1.051   0.627  -1.444
  485   3HE   MET  66          3HE       MET  66  -0.410   1.619  -1.733
  486    H    MET  67           H        MET  67   3.351   5.487   1.469
  487    HA   MET  67           HA       MET  67   2.992   4.850   4.424
  488   1HB   MET  67          1HB       MET  67   5.590   5.685   2.984
  489   2HB   MET  67          2HB       MET  67   5.439   4.956   4.571
  490   1HG   MET  67          1HG       MET  67   4.236   3.265   2.389
  491   2HG   MET  67          2HG       MET  67   5.991   3.501   2.266
  492   1HE   MET  67          1HE       MET  67   4.313   1.119   2.504
  493   2HE   MET  67          2HE       MET  67   5.361   0.069   3.511
  494   3HE   MET  67          3HE       MET  67   3.754   0.577   4.116
  495    H    GLU  68           H        GLU  68   4.665   7.511   2.688
  496    HA   GLU  68           HA       GLU  68   4.843   8.929   5.301
  497   1HB   GLU  68          1HB       GLU  68   6.823   8.407   3.921
  498   2HB   GLU  68          2HB       GLU  68   6.286   9.476   2.662
  499   1HG   GLU  68          1HG       GLU  68   6.411  11.126   5.054
  500   2HG   GLU  68          2HG       GLU  68   7.845  10.117   5.097
  501    H    GLY  69           H        GLY  69   3.124   9.700   2.288
  502   1HA   GLY  69          1HA       GLY  69   3.498  12.624   2.212
  503   2HA   GLY  69          2HA       GLY  69   2.182  11.747   1.423
  504    H    VAL  70           H        VAL  70   0.325  11.102   2.861
  505    HA   VAL  70           HA       VAL  70  -0.403  13.495   4.655
  506    HB   VAL  70           HB       VAL  70  -2.464  11.858   3.096
  507   1HG1  VAL  70          1HG1      VAL  70  -2.620  14.652   4.439
  508   2HG1  VAL  70          2HG1      VAL  70  -3.923  13.905   3.479
  509   3HG1  VAL  70          3HG1      VAL  70  -3.424  13.167   5.003
  510   1HG2  VAL  70          1HG2      VAL  70  -0.981  12.996   1.394
  511   2HG2  VAL  70          2HG2      VAL  70  -2.589  13.703   1.403
  512   3HG2  VAL  70          3HG2      VAL  70  -1.232  14.567   2.186
  513    H    GLN  71           H        GLN  71  -1.017  13.035   6.657
  514    HA   GLN  71           HA       GLN  71  -0.426  10.255   7.617
  515   1HB   GLN  71          1HB       GLN  71  -0.202  11.484   9.878
  516   2HB   GLN  71          2HB       GLN  71   0.951  11.864   8.601
  517   1HG   GLN  71          1HG       GLN  71  -0.194  13.999   8.101
  518   2HG   GLN  71          2HG       GLN  71  -1.589  13.595   9.084
  519   1HE2  GLN  71          1HE2      GLN  71   1.771  14.550  11.237
  520   2HE2  GLN  71          2HE2      GLN  71   1.867  13.319   9.861
  521   1HN   NH2  72          1HN       NH2  72  -2.114  11.721  10.188
  522   2HN   NH2  72          2HN       NH2  72  -3.666  10.856  10.023
   
  No H/Q in entry =         522
  Start of MODEL   30
    1   1H    ACE   1          1HH3      ACE   1  19.684  11.840   2.997
    2   2H    ACE   1          2HH3      ACE   1  20.885  10.504   2.884
    3   3H    ACE   1          3HH3      ACE   1  20.948  11.881   1.747
    4    H    LYS   2           H        LYS   2  18.704   9.233   2.728
    5    HA   LYS   2           HA       LYS   2  16.582   8.603   1.704
    6   1HB   LYS   2          1HB       LYS   2  16.655  11.070   0.755
    7   2HB   LYS   2          2HB       LYS   2  17.195  10.355  -0.748
    8   1HG   LYS   2          1HG       LYS   2  14.949   8.804  -0.424
    9   2HG   LYS   2          2HG       LYS   2  14.496  10.028   0.734
   10   1HD   LYS   2          1HD       LYS   2  13.459  10.878  -1.197
   11   2HD   LYS   2          2HD       LYS   2  14.981  11.768  -1.277
   12   1HE   LYS   2          1HE       LYS   2  15.890   9.669  -2.658
   13   2HE   LYS   2          2HE       LYS   2  14.183   9.276  -2.934
   14   1HZ   LYS   2          1HZ       LYS   2  15.122  12.122  -3.498
   15   2HZ   LYS   2          2HZ       LYS   2  15.429  10.943  -4.561
   16   3HZ   LYS   2          3HZ       LYS   2  13.925  11.263  -4.268
   17    H    SER   3           H        SER   3  16.880   6.564   1.255
   18    HA   SER   3           HA       SER   3  18.226   5.752  -1.370
   19   1HB   SER   3          1HB       SER   3  19.286   3.880  -0.457
   20   2HB   SER   3          2HB       SER   3  19.555   5.086   0.779
   21    HG   SER   3           HG       SER   3  17.836   4.230   1.989
   22    H    GLU   4           H        GLU   4  17.292   3.912  -2.410
   23    HA   GLU   4           HA       GLU   4  14.319   3.509  -1.816
   24   1HB   GLU   4          1HB       GLU   4  15.579   3.199  -4.562
   25   2HB   GLU   4          2HB       GLU   4  13.945   2.797  -4.092
   26   1HG   GLU   4          1HG       GLU   4  15.111   5.469  -4.830
   27   2HG   GLU   4          2HG       GLU   4  13.457   4.894  -5.006
   28    H    GLU   5           H        GLU   5  16.684   2.198  -0.629
   29    HA   GLU   5           HA       GLU   5  17.243  -0.261  -2.083
   30   1HB   GLU   5          1HB       GLU   5  19.046   0.793  -1.035
   31   2HB   GLU   5          2HB       GLU   5  18.264   0.911   0.512
   32   1HG   GLU   5          1HG       GLU   5  19.852  -0.792   0.945
   33   2HG   GLU   5          2HG       GLU   5  18.465  -1.790   0.549
   34    H    GLU   6           H        GLU   6  16.245  -0.247   1.353
   35    HA   GLU   6           HA       GLU   6  15.404  -3.108   1.299
   36   1HB   GLU   6          1HB       GLU   6  14.460  -2.446   3.661
   37   2HB   GLU   6          2HB       GLU   6  16.155  -2.710   3.382
   38   1HG   GLU   6          1HG       GLU   6  15.887  -0.730   4.835
   39   2HG   GLU   6          2HG       GLU   6  16.539  -0.173   3.305
   40    H    LEU   7           H        LEU   7  13.798  -0.158   0.573
   41    HA   LEU   7           HA       LEU   7  10.977  -1.292   0.830
   42   1HB   LEU   7          1HB       LEU   7  12.031   1.482   0.061
   43   2HB   LEU   7          2HB       LEU   7  10.339   1.062  -0.035
   44    HG   LEU   7           HG       LEU   7  11.926   0.891   2.596
   45   1HD1  LEU   7          1HD1      LEU   7  11.992   3.228   1.747
   46   2HD1  LEU   7          2HD1      LEU   7  10.222   3.245   1.531
   47   3HD1  LEU   7          3HD1      LEU   7  10.934   3.118   3.161
   48   1HD2  LEU   7          1HD2      LEU   7   8.869   0.965   2.033
   49   2HD2  LEU   7          2HD2      LEU   7   9.802  -0.411   2.682
   50   3HD2  LEU   7          3HD2      LEU   7   9.618   1.054   3.649
   51    H    ALA   8           H        ALA   8  13.321  -0.610  -1.778
   52    HA   ALA   8           HA       ALA   8  11.630  -1.667  -3.911
   53   1HB   ALA   8          1HB       ALA   8  14.706  -1.633  -3.569
   54   2HB   ALA   8          2HB       ALA   8  13.850  -1.957  -5.090
   55   3HB   ALA   8          3HB       ALA   8  13.699  -0.373  -4.319
   56    H    ASN   9           H        ASN   9  14.296  -3.539  -2.320
   57    HA   ASN   9           HA       ASN   9  13.433  -6.229  -2.633
   58   1HB   ASN   9          1HB       ASN   9  14.579  -4.806  -0.138
   59   2HB   ASN   9          2HB       ASN   9  14.302  -6.526  -0.165
   60   1HD2  ASN   9          1HD2      ASN   9  17.417  -7.074  -1.700
   61   2HD2  ASN   9          2HD2      ASN   9  16.025  -7.705  -0.711
   62    H    ALA  10           H        ALA  10  12.007  -3.911  -0.335
   63    HA   ALA  10           HA       ALA  10  10.012  -5.745   0.883
   64   1HB   ALA  10          1HB       ALA  10  10.910  -3.683   1.978
   65   2HB   ALA  10          2HB       ALA  10  10.107  -2.652   0.766
   66   3HB   ALA  10          3HB       ALA  10   9.139  -3.632   1.888
   67    H    PHE  11           H        PHE  11   9.675  -3.259  -1.670
   68    HA   PHE  11           HA       PHE  11   6.835  -3.694  -2.218
   69   1HB   PHE  11          1HB       PHE  11   8.111  -1.606  -2.723
   70   2HB   PHE  11          2HB       PHE  11   9.021  -2.422  -3.949
   71    HD1  PHE  11           HD1      PHE  11   6.577  -3.998  -5.208
   72    HD2  PHE  11           HD2      PHE  11   7.199   0.142  -4.213
   73    HE1  PHE  11           HE1      PHE  11   4.938  -3.331  -6.916
   74    HE2  PHE  11           HE2      PHE  11   5.554   0.788  -5.928
   75    HZ   PHE  11           HZ       PHE  11   4.418  -0.949  -7.277
   76    H    ARG  12           H        ARG  12   9.677  -4.966  -3.978
   77    HA   ARG  12           HA       ARG  12   8.262  -6.729  -5.802
   78   1HB   ARG  12          1HB       ARG  12  10.320  -7.604  -6.397
   79   2HB   ARG  12          2HB       ARG  12  10.795  -6.047  -5.728
   80   1HG   ARG  12          1HG       ARG  12  11.867  -6.999  -3.864
   81   2HG   ARG  12          2HG       ARG  12  10.747  -8.362  -3.746
   82   1HD   ARG  12          1HD       ARG  12  12.857  -9.320  -4.453
   83   2HD   ARG  12          2HD       ARG  12  11.815  -9.333  -5.903
   84    HE   ARG  12           HE       ARG  12  12.973  -7.007  -6.484
   85   1HH1  ARG  12          2HH1      ARG  12  14.637  -9.520  -4.776
   86   2HH1  ARG  12          1HH1      ARG  12  16.276  -8.918  -5.321
   87   1HH2  ARG  12          1HH2      ARG  12  14.811  -6.346  -7.077
   88   2HH2  ARG  12          2HH2      ARG  12  16.349  -7.192  -6.581
   89    H    ILE  13           H        ILE  13   9.149  -7.252  -2.418
   90    HA   ILE  13           HA       ILE  13   8.563 -10.176  -2.380
   91    HB   ILE  13           HB       ILE  13   9.169  -8.164  -0.158
   92   1HG1  ILE  13          1HG1      ILE  13  11.064  -9.140  -1.761
   93   2HG1  ILE  13          2HG1      ILE  13  11.349  -8.991  -0.048
   94   1HG2  ILE  13          1HG2      ILE  13   7.646  -9.907   0.854
   95   2HG2  ILE  13          2HG2      ILE  13   8.680 -11.211   0.224
   96   3HG2  ILE  13          3HG2      ILE  13   9.272 -10.107   1.481
   97   1HD1  ILE  13          1HD1      ILE  13  10.846 -11.424   0.350
   98   2HD1  ILE  13          2HD1      ILE  13  10.610 -11.655  -1.400
   99   3HD1  ILE  13          3HD1      ILE  13  12.199 -11.170  -0.776
  100    H    PHE  14           H        PHE  14   6.752  -7.261  -1.692
  101    HA   PHE  14           HA       PHE  14   4.252  -8.611  -0.620
  102   1HB   PHE  14          1HB       PHE  14   4.825  -5.758  -1.659
  103   2HB   PHE  14          2HB       PHE  14   3.235  -6.287  -1.217
  104    HD1  PHE  14           HD1      PHE  14   4.510  -8.078   1.244
  105    HD2  PHE  14           HD2      PHE  14   4.652  -3.954   0.054
  106    HE1  PHE  14           HE1      PHE  14   4.902  -7.415   3.583
  107    HE2  PHE  14           HE2      PHE  14   5.067  -3.298   2.392
  108    HZ   PHE  14           HZ       PHE  14   5.151  -5.027   4.169
  109    H    ASP  15           H        ASP  15   5.650  -7.652  -3.707
  110    HA   ASP  15           HA       ASP  15   3.246  -7.707  -5.343
  111   1HB   ASP  15          1HB       ASP  15   5.347  -6.499  -5.922
  112   2HB   ASP  15          2HB       ASP  15   6.213  -8.012  -6.135
  113    H    LYS  16           H        LYS  16   2.787  -9.161  -7.175
  114    HA   LYS  16           HA       LYS  16   3.452 -12.050  -6.776
  115   1HB   LYS  16          1HB       LYS  16   1.584 -12.777  -5.773
  116   2HB   LYS  16          2HB       LYS  16   1.042 -11.135  -5.573
  117   1HG   LYS  16          1HG       LYS  16  -0.631 -11.390  -7.198
  118   2HG   LYS  16          2HG       LYS  16   0.428 -12.270  -8.292
  119   1HD   LYS  16          1HD       LYS  16  -1.696 -13.423  -6.952
  120   2HD   LYS  16          2HD       LYS  16  -0.323 -14.292  -7.634
  121   1HE   LYS  16          1HE       LYS  16   0.670 -14.827  -5.623
  122   2HE   LYS  16          2HE       LYS  16   0.111 -13.367  -4.782
  123   1HZ   LYS  16          1HZ       LYS  16  -2.293 -14.591  -5.423
  124   2HZ   LYS  16          2HZ       LYS  16  -1.351 -15.911  -5.287
  125   3HZ   LYS  16          3HZ       LYS  16  -1.539 -14.919  -3.990
  126    H    ASN  17           H        ASN  17   1.331  -9.770  -8.540
  127    HA   ASN  17           HA       ASN  17   1.297 -11.397 -10.989
  128   1HB   ASN  17          1HB       ASN  17  -0.654 -10.108 -10.283
  129   2HB   ASN  17          2HB       ASN  17   0.203  -8.594 -10.383
  130   1HD2  ASN  17          1HD2      ASN  17  -0.310  -8.443 -13.966
  131   2HD2  ASN  17          2HD2      ASN  17   0.729  -7.825 -12.640
  132    H    ALA  18           H        ALA  18   3.083  -8.445 -10.159
  133    HA   ALA  18           HA       ALA  18   5.336  -7.916 -10.826
  134   1HB   ALA  18          1HB       ALA  18   5.503 -10.433 -10.836
  135   2HB   ALA  18          2HB       ALA  18   4.980 -10.456 -12.535
  136   3HB   ALA  18          3HB       ALA  18   6.526  -9.704 -12.104
  137    H    ASP  19           H        ASP  19   3.756  -6.193 -11.990
  138    HA   ASP  19           HA       ASP  19   5.345  -5.680 -14.558
  139   1HB   ASP  19          1HB       ASP  19   2.546  -4.586 -13.855
  140   2HB   ASP  19          2HB       ASP  19   3.509  -4.016 -15.211
  141    H    GLY  20           H        GLY  20   6.063  -5.264 -11.650
  142   1HA   GLY  20          1HA       GLY  20   6.746  -3.584 -10.036
  143   2HA   GLY  20          2HA       GLY  20   6.998  -2.536 -11.437
  144    H    TYR  21           H        TYR  21   3.751  -3.681 -10.756
  145    HA   TYR  21           HA       TYR  21   3.002  -0.992  -9.447
  146   1HB   TYR  21          1HB       TYR  21   1.102  -2.803 -11.057
  147   2HB   TYR  21          2HB       TYR  21   0.761  -1.217 -10.428
  148    HD1  TYR  21           HD1      TYR  21   3.623  -0.021 -11.409
  149    HD2  TYR  21           HD2      TYR  21   0.520  -2.292 -13.337
  150    HE1  TYR  21           HE1      TYR  21   4.218   0.977 -13.591
  151    HE2  TYR  21           HE2      TYR  21   1.133  -1.278 -15.497
  152    HH   TYR  21           HH       TYR  21   3.244   1.430 -15.718
  153    H    ILE  22           H        ILE  22   1.498  -1.003  -7.718
  154    HA   ILE  22           HA       ILE  22   0.603  -3.686  -6.560
  155    HB   ILE  22           HB       ILE  22   0.153  -1.001  -5.189
  156   1HG1  ILE  22          1HG1      ILE  22   2.730  -1.476  -5.793
  157   2HG1  ILE  22          2HG1      ILE  22   2.265  -0.831  -4.242
  158   1HG2  ILE  22          1HG2      ILE  22  -1.034  -3.015  -4.205
  159   2HG2  ILE  22          2HG2      ILE  22   0.513  -3.865  -4.031
  160   3HG2  ILE  22          3HG2      ILE  22   0.162  -2.402  -3.076
  161   1HD1  ILE  22          1HD1      ILE  22   2.332  -3.153  -3.196
  162   2HD1  ILE  22          2HD1      ILE  22   3.002  -3.775  -4.726
  163   3HD1  ILE  22          3HD1      ILE  22   3.900  -2.558  -3.795
  164    H    ASP  23           H        ASP  23  -1.519  -4.231  -6.289
  165    HA   ASP  23           HA       ASP  23  -3.672  -2.423  -7.503
  166   1HB   ASP  23          1HB       ASP  23  -4.739  -4.432  -8.384
  167   2HB   ASP  23          2HB       ASP  23  -3.036  -4.489  -8.816
  168    H    ILE  24           H        ILE  24  -5.914  -2.869  -6.752
  169    HA   ILE  24           HA       ILE  24  -6.064  -2.183  -3.830
  170    HB   ILE  24           HB       ILE  24  -7.659  -1.402  -5.810
  171   1HG1  ILE  24          1HG1      ILE  24  -8.512  -1.893  -2.895
  172   2HG1  ILE  24          2HG1      ILE  24  -7.982  -0.404  -3.630
  173   1HG2  ILE  24          1HG2      ILE  24  -8.565  -3.689  -6.432
  174   2HG2  ILE  24          2HG2      ILE  24  -9.225  -3.887  -4.796
  175   3HG2  ILE  24          3HG2      ILE  24  -9.867  -2.641  -5.896
  176   1HD1  ILE  24          1HD1      ILE  24 -10.090  -0.297  -5.055
  177   2HD1  ILE  24          2HD1      ILE  24 -10.721  -1.695  -4.150
  178   3HD1  ILE  24          3HD1      ILE  24 -10.371  -0.176  -3.298
  179    H    GLU  25           H        GLU  25  -6.283  -5.093  -5.729
  180    HA   GLU  25           HA       GLU  25  -7.667  -6.745  -3.641
  181   1HB   GLU  25          1HB       GLU  25  -6.447  -7.493  -6.331
  182   2HB   GLU  25          2HB       GLU  25  -7.120  -8.677  -5.254
  183   1HG   GLU  25          1HG       GLU  25  -9.310  -6.946  -5.448
  184   2HG   GLU  25          2HG       GLU  25  -8.557  -6.650  -7.004
  185    H    GLU  26           H        GLU  26  -4.338  -6.202  -4.605
  186    HA   GLU  26           HA       GLU  26  -3.184  -8.054  -2.543
  187   1HB   GLU  26          1HB       GLU  26  -1.905  -5.971  -4.356
  188   2HB   GLU  26          2HB       GLU  26  -0.993  -6.789  -3.125
  189   1HG   GLU  26          1HG       GLU  26  -1.330  -9.006  -4.249
  190   2HG   GLU  26          2HG       GLU  26  -2.462  -8.314  -5.395
  191    H    LEU  27           H        LEU  27  -4.314  -4.776  -2.523
  192    HA   LEU  27           HA       LEU  27  -2.685  -3.443  -0.476
  193   1HB   LEU  27          1HB       LEU  27  -4.341  -2.316  -1.950
  194   2HB   LEU  27          2HB       LEU  27  -5.664  -3.134  -1.159
  195    HG   LEU  27           HG       LEU  27  -5.734  -1.683   0.631
  196   1HD1  LEU  27          1HD1      LEU  27  -3.572  -2.483   1.589
  197   2HD1  LEU  27          2HD1      LEU  27  -2.653  -1.359   0.547
  198   3HD1  LEU  27          3HD1      LEU  27  -3.765  -0.744   1.804
  199   1HD2  LEU  27          1HD2      LEU  27  -3.983   0.066  -1.252
  200   2HD2  LEU  27          2HD2      LEU  27  -5.762  -0.103  -1.327
  201   3HD2  LEU  27          3HD2      LEU  27  -5.012   0.650   0.085
  202    H    GLY  28           H        GLY  28  -5.947  -4.709   0.187
  203   1HA   GLY  28          1HA       GLY  28  -5.881  -5.308   3.026
  204   2HA   GLY  28          2HA       GLY  28  -6.746  -6.283   1.831
  205    H    GLU  29           H        GLU  29  -4.813  -7.578   0.395
  206    HA   GLU  29           HA       GLU  29  -4.536  -9.823   2.345
  207   1HB   GLU  29          1HB       GLU  29  -3.982  -9.608  -0.638
  208   2HB   GLU  29          2HB       GLU  29  -3.560 -11.035   0.258
  209   1HG   GLU  29          1HG       GLU  29  -5.965 -11.495   0.797
  210   2HG   GLU  29          2HG       GLU  29  -6.467  -9.952   0.131
  211    H    ILE  30           H        ILE  30  -2.298  -7.571   0.855
  212    HA   ILE  30           HA       ILE  30   0.217  -8.590   2.135
  213    HB   ILE  30           HB       ILE  30  -0.569  -5.832   1.073
  214   1HG1  ILE  30          1HG1      ILE  30   1.125  -6.177  -0.681
  215   2HG1  ILE  30          2HG1      ILE  30   1.721  -7.632   0.071
  216   1HG2  ILE  30          1HG2      ILE  30   0.991  -5.460   3.018
  217   2HG2  ILE  30          2HG2      ILE  30   2.168  -6.600   2.316
  218   3HG2  ILE  30          3HG2      ILE  30   1.791  -5.056   1.502
  219   1HD1  ILE  30          1HD1      ILE  30  -1.082  -7.487  -1.228
  220   2HD1  ILE  30          2HD1      ILE  30   0.384  -8.233  -1.899
  221   3HD1  ILE  30          3HD1      ILE  30  -0.352  -8.905  -0.430
  222    H    LEU  31           H        LEU  31  -2.054  -5.959   3.010
  223    HA   LEU  31           HA       LEU  31  -0.858  -5.644   5.746
  224   1HB   LEU  31          1HB       LEU  31  -2.195  -3.717   5.994
  225   2HB   LEU  31          2HB       LEU  31  -1.686  -3.712   4.323
  226    HG   LEU  31           HG       LEU  31  -4.101  -4.911   3.930
  227   1HD1  LEU  31          1HD1      LEU  31  -4.494  -3.280   6.530
  228   2HD1  LEU  31          2HD1      LEU  31  -5.805  -3.885   5.481
  229   3HD1  LEU  31          3HD1      LEU  31  -4.738  -5.034   6.294
  230   1HD2  LEU  31          1HD2      LEU  31  -3.680  -1.863   4.343
  231   2HD2  LEU  31          2HD2      LEU  31  -3.490  -2.772   2.817
  232   3HD2  LEU  31          3HD2      LEU  31  -5.093  -2.597   3.539
  233    H    ARG  32           H        ARG  32  -2.809  -8.062   4.766
  234    HA   ARG  32           HA       ARG  32  -3.748  -8.431   7.674
  235   1HB   ARG  32          1HB       ARG  32  -5.414  -8.069   5.752
  236   2HB   ARG  32          2HB       ARG  32  -4.920  -9.621   5.079
  237   1HG   ARG  32          1HG       ARG  32  -5.840  -9.481   8.010
  238   2HG   ARG  32          2HG       ARG  32  -7.052  -9.307   6.727
  239   1HD   ARG  32          1HD       ARG  32  -5.046 -11.670   6.803
  240   2HD   ARG  32          2HD       ARG  32  -6.636 -11.746   7.595
  241    HE   ARG  32           HE       ARG  32  -6.165 -11.925   4.671
  242   1HH1  ARG  32          2HH1      ARG  32  -8.519 -10.751   6.941
  243   2HH1  ARG  32          1HH1      ARG  32  -9.882 -10.942   5.739
  244   1HH2  ARG  32          1HH2      ARG  32  -7.722 -12.104   3.338
  245   2HH2  ARG  32          2HH2      ARG  32  -9.432 -11.682   3.808
  246    H    ALA  33           H        ALA  33  -1.964  -9.843   4.999
  247    HA   ALA  33           HA       ALA  33  -1.724 -12.572   5.842
  248   1HB   ALA  33          1HB       ALA  33  -1.192 -11.712   3.567
  249   2HB   ALA  33          2HB       ALA  33   0.257 -10.872   4.186
  250   3HB   ALA  33          3HB       ALA  33   0.170 -12.647   4.207
  251    H    THR  34           H        THR  34   0.894 -13.416   6.036
  252    HA   THR  34           HA       THR  34   0.825 -13.588   9.006
  253    HB   THR  34           HB       THR  34   2.553 -15.222   8.847
  254    HG1  THR  34           HG1      THR  34   3.571 -15.595   6.770
  255   1HG2  THR  34          2HG2      THR  34   0.321 -15.873   7.723
  256   2HG2  THR  34          3HG2      THR  34   1.037 -15.436   6.150
  257   3HG2  THR  34          1HG2      THR  34   1.719 -16.778   7.086
  258    H    GLY  35           H        GLY  35   1.295 -11.679  10.025
  259   1HA   GLY  35          1HA       GLY  35   2.786 -10.187  11.236
  260   2HA   GLY  35          2HA       GLY  35   4.153 -11.132  10.632
  261   1HN   NH2  36          1HN       NH2  36   5.644  -9.761   9.760
  262   2HN   NH2  36          2HN       NH2  36   5.281  -8.473   8.580
  263   1H    ACE  37          1HH3      ACE  37 -12.345  -0.553  14.715
  264   2H    ACE  37          2HH3      ACE  37 -13.161  -0.719  13.122
  265   3H    ACE  37          3HH3      ACE  37 -13.507  -1.878  14.432
  266    H    VAL  38           H        VAL  38 -10.527  -0.649  12.757
  267    HA   VAL  38           HA       VAL  38  -9.197  -1.830  11.097
  268    HB   VAL  38           HB       VAL  38  -8.956  -4.284  12.752
  269   1HG1  VAL  38          1HG1      VAL  38  -6.919  -2.130  11.822
  270   2HG1  VAL  38          2HG1      VAL  38  -6.472  -3.624  12.677
  271   3HG1  VAL  38          3HG1      VAL  38  -7.204  -3.711  11.072
  272   1HG2  VAL  38          1HG2      VAL  38  -9.469  -2.692  14.655
  273   2HG2  VAL  38          2HG2      VAL  38  -7.760  -3.177  14.684
  274   3HG2  VAL  38          3HG2      VAL  38  -8.221  -1.573  14.062
  275    H    THR  39           H        THR  39 -10.887  -2.013   9.590
  276    HA   THR  39           HA       THR  39 -11.488  -4.871   8.878
  277    HB   THR  39           HB       THR  39 -13.786  -4.853   8.682
  278    HG1  THR  39           HG1      THR  39 -14.107  -2.086   8.960
  279   1HG2  THR  39          2HG2      THR  39 -13.348  -2.738  10.908
  280   2HG2  THR  39          3HG2      THR  39 -14.820  -3.717  10.694
  281   3HG2  THR  39          1HG2      THR  39 -13.286  -4.504  11.120
  282    H    GLU  40           H        GLU  40 -12.539  -4.811   6.548
  283    HA   GLU  40           HA       GLU  40 -10.611  -3.372   4.759
  284   1HB   GLU  40          1HB       GLU  40 -11.014  -4.925   3.222
  285   2HB   GLU  40          2HB       GLU  40 -11.655  -5.824   4.564
  286   1HG   GLU  40          1HG       GLU  40 -13.856  -4.257   3.349
  287   2HG   GLU  40          2HG       GLU  40 -13.003  -5.124   2.086
  288    H    GLU  41           H        GLU  41 -13.990  -2.877   5.653
  289    HA   GLU  41           HA       GLU  41 -14.701  -0.814   3.842
  290   1HB   GLU  41          1HB       GLU  41 -16.013  -1.987   5.790
  291   2HB   GLU  41          2HB       GLU  41 -15.528  -0.632   6.764
  292   1HG   GLU  41          1HG       GLU  41 -16.736   0.959   5.160
  293   2HG   GLU  41          2HG       GLU  41 -17.215  -0.404   4.165
  294    H    ASP  42           H        ASP  42 -12.426  -0.455   6.481
  295    HA   ASP  42           HA       ASP  42 -12.140   2.495   6.058
  296   1HB   ASP  42          1HB       ASP  42 -10.757   0.468   7.918
  297   2HB   ASP  42          2HB       ASP  42 -10.300   2.166   7.885
  298    H    ILE  43           H        ILE  43 -10.349  -0.351   5.060
  299    HA   ILE  43           HA       ILE  43  -8.184   1.015   3.506
  300    HB   ILE  43           HB       ILE  43  -9.495  -1.725   3.258
  301   1HG1  ILE  43          1HG1      ILE  43  -6.961  -2.449   3.441
  302   2HG1  ILE  43          2HG1      ILE  43  -6.632  -0.810   3.933
  303   1HG2  ILE  43          1HG2      ILE  43  -9.083  -1.001   0.874
  304   2HG2  ILE  43          2HG2      ILE  43  -7.403  -0.580   1.263
  305   3HG2  ILE  43          3HG2      ILE  43  -7.953  -2.274   1.310
  306   1HD1  ILE  43          1HD1      ILE  43  -8.206  -1.003   5.905
  307   2HD1  ILE  43          2HD1      ILE  43  -8.446  -2.727   5.519
  308   3HD1  ILE  43          3HD1      ILE  43  -6.832  -2.129   5.960
  309    H    GLU  44           H        GLU  44 -11.621   0.466   3.051
  310    HA   GLU  44           HA       GLU  44 -11.714   1.566   0.261
  311   1HB   GLU  44          1HB       GLU  44 -13.656   0.335   2.137
  312   2HB   GLU  44          2HB       GLU  44 -14.350   1.606   1.177
  313   1HG   GLU  44          1HG       GLU  44 -12.887  -0.063  -0.707
  314   2HG   GLU  44          2HG       GLU  44 -13.703  -1.170   0.381
  315    H    ASP  45           H        ASP  45 -12.140   2.877   3.479
  316    HA   ASP  45           HA       ASP  45 -12.826   5.685   2.666
  317   1HB   ASP  45          1HB       ASP  45 -11.801   4.383   5.254
  318   2HB   ASP  45          2HB       ASP  45 -11.910   6.131   5.101
  319    H    LEU  46           H        LEU  46  -9.839   3.865   3.207
  320    HA   LEU  46           HA       LEU  46  -7.982   6.144   2.722
  321   1HB   LEU  46          1HB       LEU  46  -7.463   4.101   4.066
  322   2HB   LEU  46          2HB       LEU  46  -7.485   3.107   2.628
  323    HG   LEU  46           HG       LEU  46  -5.467   4.297   1.707
  324   1HD1  LEU  46          1HD1      LEU  46  -5.948   6.549   2.859
  325   2HD1  LEU  46          2HD1      LEU  46  -5.345   5.815   4.373
  326   3HD1  LEU  46          3HD1      LEU  46  -4.256   5.986   2.988
  327   1HD2  LEU  46          1HD2      LEU  46  -5.461   2.443   3.846
  328   2HD2  LEU  46          2HD2      LEU  46  -4.087   2.880   2.828
  329   3HD2  LEU  46          3HD2      LEU  46  -4.323   3.709   4.394
  330    H    MET  47           H        MET  47  -8.787   3.427   0.517
  331    HA   MET  47           HA       MET  47  -7.668   4.925  -1.821
  332   1HB   MET  47          1HB       MET  47  -7.707   2.305  -1.302
  333   2HB   MET  47          2HB       MET  47  -9.285   2.352  -2.068
  334   1HG   MET  47          1HG       MET  47  -7.777   1.792  -3.860
  335   2HG   MET  47          2HG       MET  47  -8.178   3.498  -4.128
  336   1HE   MET  47          1HE       MET  47  -5.632   1.179  -4.566
  337   2HE   MET  47          2HE       MET  47  -5.775   2.596  -5.647
  338   3HE   MET  47          3HE       MET  47  -4.241   2.299  -4.778
  339    H    LYS  48           H        LYS  48 -10.616   5.386  -0.309
  340    HA   LYS  48           HA       LYS  48 -11.711   6.593  -2.881
  341   1HB   LYS  48          1HB       LYS  48 -13.790   6.698  -1.842
  342   2HB   LYS  48          2HB       LYS  48 -13.160   5.181  -1.278
  343   1HG   LYS  48          1HG       LYS  48 -14.036   6.039   0.759
  344   2HG   LYS  48          2HG       LYS  48 -12.407   6.622   0.890
  345   1HD   LYS  48          1HD       LYS  48 -12.958   8.802   0.842
  346   2HD   LYS  48          2HD       LYS  48 -13.935   8.686  -0.584
  347   1HE   LYS  48          1HE       LYS  48 -15.964   8.083   0.796
  348   2HE   LYS  48          2HE       LYS  48 -14.971   7.835   2.221
  349   1HZ   LYS  48          1HZ       LYS  48 -14.798  10.567   0.967
  350   2HZ   LYS  48          2HZ       LYS  48 -16.090  10.223   1.944
  351   3HZ   LYS  48          3HZ       LYS  48 -14.548  10.148   2.474
  352    H    ASP  49           H        ASP  49 -10.305   7.495   0.209
  353    HA   ASP  49           HA       ASP  49 -10.252  10.467  -0.338
  354   1HB   ASP  49          1HB       ASP  49 -10.107   9.708   2.002
  355   2HB   ASP  49          2HB       ASP  49  -8.690   8.722   1.669
  356    H    SER  50           H        SER  50  -7.779   7.838  -0.661
  357    HA   SER  50           HA       SER  50  -5.720   9.888  -1.518
  358   1HB   SER  50          1HB       SER  50  -5.297   6.845  -1.280
  359   2HB   SER  50          2HB       SER  50  -4.070   8.107  -1.229
  360    HG   SER  50           HG       SER  50  -4.541   8.533   0.788
  361    H    ASP  51           H        ASP  51  -7.828   7.563  -2.993
  362    HA   ASP  51           HA       ASP  51  -6.593   7.298  -5.685
  363   1HB   ASP  51          1HB       ASP  51  -8.609   5.991  -4.510
  364   2HB   ASP  51          2HB       ASP  51  -9.614   7.276  -5.166
  365    H    LYS  52           H        LYS  52  -7.900   8.286  -7.607
  366    HA   LYS  52           HA       LYS  52  -8.832  11.117  -7.190
  367   1HB   LYS  52          1HB       LYS  52  -6.549  10.581  -9.159
  368   2HB   LYS  52          2HB       LYS  52  -7.264  12.135  -8.857
  369   1HG   LYS  52          1HG       LYS  52  -5.394  12.399  -7.449
  370   2HG   LYS  52          2HG       LYS  52  -6.394  11.583  -6.289
  371   1HD   LYS  52          1HD       LYS  52  -5.437   9.346  -6.881
  372   2HD   LYS  52          2HD       LYS  52  -4.380  10.030  -8.072
  373   1HE   LYS  52          1HE       LYS  52  -4.254  10.280  -4.984
  374   2HE   LYS  52          2HE       LYS  52  -3.019   9.676  -6.087
  375   1HZ   LYS  52          1HZ       LYS  52  -3.842  12.587  -6.371
  376   2HZ   LYS  52          2HZ       LYS  52  -2.700  12.158  -5.251
  377   3HZ   LYS  52          3HZ       LYS  52  -2.499  11.898  -6.849
  378    H    ASN  53           H        ASN  53  -7.964  10.595 -10.416
  379    HA   ASN  53           HA       ASN  53 -10.780  10.546 -11.223
  380   1HB   ASN  53          1HB       ASN  53  -9.643  10.560 -13.635
  381   2HB   ASN  53          2HB       ASN  53  -9.460  11.936 -12.584
  382   1HD2  ASN  53          1HD2      ASN  53  -6.166   9.975 -13.785
  383   2HD2  ASN  53          2HD2      ASN  53  -7.834   9.437 -14.275
  384    H    ASN  54           H        ASN  54  -9.466   7.969 -10.135
  385    HA   ASN  54           HA       ASN  54 -10.366   5.741 -10.058
  386   1HB   ASN  54          1HB       ASN  54 -12.149   7.003 -12.230
  387   2HB   ASN  54          2HB       ASN  54 -12.163   5.272 -12.045
  388   1HD2  ASN  54          1HD2      ASN  54 -14.685   5.724  -9.638
  389   2HD2  ASN  54          2HD2      ASN  54 -14.132   4.954 -11.191
  390    H    ASP  55           H        ASP  55  -8.028   6.629 -11.717
  391    HA   ASP  55           HA       ASP  55  -7.566   3.923 -13.066
  392   1HB   ASP  55          1HB       ASP  55  -6.659   6.319 -13.925
  393   2HB   ASP  55          2HB       ASP  55  -5.366   6.021 -12.772
  394    H    GLY  56           H        GLY  56  -8.088   2.954 -10.819
  395   1HA   GLY  56          1HA       GLY  56  -6.749   4.097  -8.383
  396   2HA   GLY  56          2HA       GLY  56  -7.873   2.730  -8.407
  397    H    ARG  57           H        ARG  57  -5.502   1.935 -10.624
  398    HA   ARG  57           HA       ARG  57  -3.933   0.276  -8.705
  399   1HB   ARG  57          1HB       ARG  57  -3.270  -0.945 -10.562
  400   2HB   ARG  57          2HB       ARG  57  -4.795  -0.272 -11.135
  401   1HG   ARG  57          1HG       ARG  57  -3.637   1.435 -12.492
  402   2HG   ARG  57          2HG       ARG  57  -2.092   1.126 -11.702
  403   1HD   ARG  57          1HD       ARG  57  -1.919  -0.014 -13.834
  404   2HD   ARG  57          2HD       ARG  57  -2.212  -1.298 -12.663
  405    HE   ARG  57           HE       ARG  57  -4.753  -0.111 -13.841
  406   1HH1  ARG  57          2HH1      ARG  57  -2.659  -2.862 -13.687
  407   2HH1  ARG  57          1HH1      ARG  57  -3.812  -3.863 -14.716
  408   1HH2  ARG  57          1HH2      ARG  57  -6.021  -1.248 -14.870
  409   2HH2  ARG  57          2HH2      ARG  57  -5.708  -3.020 -15.222
  410    H    ILE  58           H        ILE  58  -1.829   0.326  -8.164
  411    HA   ILE  58           HA       ILE  58  -0.803   3.185  -8.004
  412    HB   ILE  58           HB       ILE  58  -0.881   0.895  -5.991
  413   1HG1  ILE  58          1HG1      ILE  58  -2.068   3.745  -6.012
  414   2HG1  ILE  58          2HG1      ILE  58  -2.944   2.243  -6.078
  415   1HG2  ILE  58          1HG2      ILE  58   1.401   1.957  -5.717
  416   2HG2  ILE  58          2HG2      ILE  58   0.655   3.561  -5.570
  417   3HG2  ILE  58          3HG2      ILE  58   0.381   2.316  -4.328
  418   1HD1  ILE  58          1HD1      ILE  58  -2.215   1.623  -3.727
  419   2HD1  ILE  58          2HD1      ILE  58  -1.424   3.214  -3.582
  420   3HD1  ILE  58          3HD1      ILE  58  -3.183   3.115  -3.816
  421    H    ASP  59           H        ASP  59   1.410   3.670  -7.853
  422    HA   ASP  59           HA       ASP  59   3.419   1.484  -8.611
  423   1HB   ASP  59          1HB       ASP  59   4.614   3.202  -9.947
  424   2HB   ASP  59          2HB       ASP  59   2.938   3.068 -10.460
  425    H    PHE  60           H        PHE  60   5.790   2.867  -8.283
  426    HA   PHE  60           HA       PHE  60   6.267   2.070  -5.447
  427   1HB   PHE  60          1HB       PHE  60   7.852   1.784  -7.505
  428   2HB   PHE  60          2HB       PHE  60   8.260   3.459  -7.331
  429    HD1  PHE  60           HD1      PHE  60   7.665   1.643  -4.186
  430    HD2  PHE  60           HD2      PHE  60  10.678   2.838  -7.005
  431    HE1  PHE  60           HE1      PHE  60   9.412   1.041  -2.571
  432    HE2  PHE  60           HE2      PHE  60  12.430   2.244  -5.369
  433    HZ   PHE  60           HZ       PHE  60  11.800   1.294  -3.169
  434    H    ASP  61           H        ASP  61   5.875   5.173  -7.050
  435    HA   ASP  61           HA       ASP  61   6.784   7.071  -4.967
  436   1HB   ASP  61          1HB       ASP  61   6.210   8.163  -6.996
  437   2HB   ASP  61          2HB       ASP  61   4.892   7.066  -7.363
  438    H    GLU  62           H        GLU  62   3.459   6.628  -5.812
  439    HA   GLU  62           HA       GLU  62   1.918   7.027  -3.434
  440   1HB   GLU  62          1HB       GLU  62   1.269   4.723  -5.303
  441   2HB   GLU  62          2HB       GLU  62   0.169   5.691  -4.368
  442   1HG   GLU  62          1HG       GLU  62   0.965   7.729  -5.927
  443   2HG   GLU  62          2HG       GLU  62   1.628   6.485  -6.970
  444    H    PHE  63           H        PHE  63   4.056   4.241  -3.970
  445    HA   PHE  63           HA       PHE  63   2.962   2.509  -1.765
  446   1HB   PHE  63          1HB       PHE  63   4.341   1.715  -3.768
  447   2HB   PHE  63          2HB       PHE  63   5.734   2.500  -3.110
  448    HD1  PHE  63           HD1      PHE  63   6.254   1.933  -0.487
  449    HD2  PHE  63           HD2      PHE  63   4.333  -0.709  -3.288
  450    HE1  PHE  63           HE1      PHE  63   7.159   0.007   0.702
  451    HE2  PHE  63           HE2      PHE  63   5.210  -2.640  -2.040
  452    HZ   PHE  63           HZ       PHE  63   6.560  -2.291   0.005
  453    H    LEU  64           H        LEU  64   5.955   4.447  -2.019
  454    HA   LEU  64           HA       LEU  64   6.786   4.652   0.700
  455   1HB   LEU  64          1HB       LEU  64   6.909   6.721  -1.548
  456   2HB   LEU  64          2HB       LEU  64   7.646   7.035   0.003
  457    HG   LEU  64           HG       LEU  64   8.403   4.478  -1.496
  458   1HD1  LEU  64          1HD1      LEU  64   9.470   7.315  -2.133
  459   2HD1  LEU  64          2HD1      LEU  64  10.238   5.794  -2.663
  460   3HD1  LEU  64          3HD1      LEU  64   8.610   6.190  -3.221
  461   1HD2  LEU  64          1HD2      LEU  64   9.969   6.364   0.416
  462   2HD2  LEU  64          2HD2      LEU  64   9.383   4.715   0.779
  463   3HD2  LEU  64          3HD2      LEU  64  10.666   4.950  -0.415
  464    H    LYS  65           H        LYS  65   4.474   6.915  -0.833
  465    HA   LYS  65           HA       LYS  65   3.873   8.372   1.685
  466   1HB   LYS  65          1HB       LYS  65   3.083   9.859   0.193
  467   2HB   LYS  65          2HB       LYS  65   3.833   8.848  -1.027
  468   1HG   LYS  65          1HG       LYS  65   1.424   7.715  -1.230
  469   2HG   LYS  65          2HG       LYS  65   0.860   9.064  -0.227
  470   1HD   LYS  65          1HD       LYS  65   2.591   9.595  -2.690
  471   2HD   LYS  65          2HD       LYS  65   0.857   9.339  -2.909
  472   1HE   LYS  65          1HE       LYS  65   2.408  11.708  -1.777
  473   2HE   LYS  65          2HE       LYS  65   0.957  11.689  -2.795
  474   1HZ   LYS  65          1HZ       LYS  65   0.872  10.865   0.150
  475   2HZ   LYS  65          2HZ       LYS  65   0.452  12.343  -0.394
  476   3HZ   LYS  65          3HZ       LYS  65  -0.431  11.075  -0.838
  477    H    MET  66           H        MET  66   2.272   5.687  -0.015
  478    HA   MET  66           HA       MET  66  -0.095   5.433   1.583
  479   1HB   MET  66          1HB       MET  66   0.118   4.177  -0.465
  480   2HB   MET  66          2HB       MET  66   1.599   3.399   0.052
  481   1HG   MET  66          1HG       MET  66   0.497   1.861   1.537
  482   2HG   MET  66          2HG       MET  66  -1.006   2.803   1.577
  483   1HE   MET  66          1HE       MET  66   1.073   0.075  -0.061
  484   2HE   MET  66          2HE       MET  66   0.551   0.033  -1.772
  485   3HE   MET  66          3HE       MET  66   1.524   1.409  -1.168
  486    H    MET  67           H        MET  67   2.790   3.335   2.104
  487    HA   MET  67           HA       MET  67   2.128   2.370   4.736
  488   1HB   MET  67          1HB       MET  67   3.941   1.322   3.452
  489   2HB   MET  67          2HB       MET  67   4.861   2.813   3.401
  490   1HG   MET  67          1HG       MET  67   5.532   2.692   5.711
  491   2HG   MET  67          2HG       MET  67   4.284   1.501   6.123
  492   1HE   MET  67          1HE       MET  67   6.783   2.359   3.510
  493   2HE   MET  67          2HE       MET  67   8.197   1.542   4.252
  494   3HE   MET  67          3HE       MET  67   7.353   0.791   2.862
  495    H    GLU  68           H        GLU  68   4.241   5.187   3.981
  496    HA   GLU  68           HA       GLU  68   4.477   6.153   6.684
  497   1HB   GLU  68          1HB       GLU  68   5.909   6.725   4.679
  498   2HB   GLU  68          2HB       GLU  68   4.702   7.859   4.157
  499   1HG   GLU  68          1HG       GLU  68   5.084   9.296   6.187
  500   2HG   GLU  68          2HG       GLU  68   6.164   8.103   6.886
  501    H    GLY  69           H        GLY  69   2.374   7.856   4.275
  502   1HA   GLY  69          1HA       GLY  69   1.474   9.878   6.273
  503   2HA   GLY  69          2HA       GLY  69   0.782   9.640   4.663
  504    H    VAL  70           H        VAL  70   0.543   8.505   8.048
  505    HA   VAL  70           HA       VAL  70  -2.485   8.412   7.506
  506    HB   VAL  70           HB       VAL  70  -0.718   6.545   9.049
  507   1HG1  VAL  70          1HG1      VAL  70  -3.541   7.266  10.120
  508   2HG1  VAL  70          2HG1      VAL  70  -2.588   5.846  10.625
  509   3HG1  VAL  70          3HG1      VAL  70  -2.001   7.471  10.990
  510   1HG2  VAL  70          1HG2      VAL  70  -1.934   5.794   6.964
  511   2HG2  VAL  70          2HG2      VAL  70  -2.438   4.855   8.361
  512   3HG2  VAL  70          3HG2      VAL  70  -3.503   6.143   7.722
  513    H    GLN  71           H        GLN  71  -3.202  10.330   8.085
  514    HA   GLN  71           HA       GLN  71  -3.001  11.081  10.994
  515   1HB   GLN  71          1HB       GLN  71  -2.586  13.207   8.816
  516   2HB   GLN  71          2HB       GLN  71  -2.759  13.531  10.540
  517   1HG   GLN  71          1HG       GLN  71  -0.677  11.702  10.636
  518   2HG   GLN  71          2HG       GLN  71  -0.390  12.315   9.018
  519   1HE2  GLN  71          1HE2      GLN  71   1.063  15.303  10.239
  520   2HE2  GLN  71          2HE2      GLN  71   0.451  14.342   8.783
  521   1HN   NH2  72          1HN       NH2  72  -4.763  11.272   7.849
  522   2HN   NH2  72          2HN       NH2  72  -6.373  11.553   8.563
   
  No H/Q in entry =         522
  Start of MODEL   31
    1   1H    ACE   1          1HH3      ACE   1  15.326   8.315  -7.023
    2   2H    ACE   1          2HH3      ACE   1  16.672   7.124  -7.112
    3   3H    ACE   1          3HH3      ACE   1  15.048   6.621  -6.564
    4    H    LYS   2           H        LYS   2  17.184   9.386  -5.561
    5    HA   LYS   2           HA       LYS   2  18.777   9.308  -3.691
    6   1HB   LYS   2          1HB       LYS   2  16.180  10.171  -3.176
    7   2HB   LYS   2          2HB       LYS   2  16.398   9.047  -1.852
    8   1HG   LYS   2          1HG       LYS   2  18.300  10.397  -0.956
    9   2HG   LYS   2          2HG       LYS   2  18.516  11.227  -2.475
   10   1HD   LYS   2          1HD       LYS   2  15.886  11.988  -1.862
   11   2HD   LYS   2          2HD       LYS   2  16.544  11.786  -0.237
   12   1HE   LYS   2          1HE       LYS   2  17.722  13.566  -2.475
   13   2HE   LYS   2          2HE       LYS   2  16.939  14.153  -0.997
   14   1HZ   LYS   2          1HZ       LYS   2  18.912  12.705   0.188
   15   2HZ   LYS   2          2HZ       LYS   2  19.591  12.745  -1.279
   16   3HZ   LYS   2          3HZ       LYS   2  19.385  14.116  -0.551
   17    H    SER   3           H        SER   3  18.345   8.112  -1.089
   18    HA   SER   3           HA       SER   3  18.862   5.258  -1.358
   19   1HB   SER   3          1HB       SER   3  17.829   6.737   1.121
   20   2HB   SER   3          2HB       SER   3  18.750   5.252   1.118
   21    HG   SER   3           HG       SER   3  19.559   7.892   0.445
   22    H    GLU   4           H        GLU   4  17.550   3.378  -0.914
   23    HA   GLU   4           HA       GLU   4  14.671   3.408  -1.167
   24   1HB   GLU   4          1HB       GLU   4  13.991   3.759  -3.230
   25   2HB   GLU   4          2HB       GLU   4  15.441   4.733  -3.249
   26   1HG   GLU   4          1HG       GLU   4  15.009   2.013  -4.651
   27   2HG   GLU   4          2HG       GLU   4  15.299   3.572  -5.414
   28    H    GLU   5           H        GLU   5  17.655   1.730  -1.840
   29    HA   GLU   5           HA       GLU   5  17.293  -0.869  -2.182
   30   1HB   GLU   5          1HB       GLU   5  19.379  -0.358  -1.386
   31   2HB   GLU   5          2HB       GLU   5  18.815   0.459   0.039
   32   1HG   GLU   5          1HG       GLU   5  18.961  -1.463   1.353
   33   2HG   GLU   5          2HG       GLU   5  18.227  -2.495   0.140
   34    H    GLU   6           H        GLU   6  16.460   0.055   1.189
   35    HA   GLU   6           HA       GLU   6  15.441  -2.642   1.725
   36   1HB   GLU   6          1HB       GLU   6  14.990  -1.881   4.004
   37   2HB   GLU   6          2HB       GLU   6  16.598  -1.505   3.462
   38   1HG   GLU   6          1HG       GLU   6  15.951   0.946   3.181
   39   2HG   GLU   6          2HG       GLU   6  14.304   0.582   3.662
   40    H    LEU   7           H        LEU   7  13.664   0.403   1.283
   41    HA   LEU   7           HA       LEU   7  10.926  -0.839   1.303
   42   1HB   LEU   7          1HB       LEU   7  11.965   1.878   0.337
   43   2HB   LEU   7          2HB       LEU   7  10.287   1.414   0.203
   44    HG   LEU   7           HG       LEU   7  11.702   1.432   2.928
   45   1HD1  LEU   7          1HD1      LEU   7  11.993   3.688   1.920
   46   2HD1  LEU   7          2HD1      LEU   7  10.249   3.802   1.567
   47   3HD1  LEU   7          3HD1      LEU   7  10.830   3.757   3.252
   48   1HD2  LEU   7          1HD2      LEU   7   8.706   1.661   2.126
   49   2HD2  LEU   7          2HD2      LEU   7   9.490   0.282   2.944
   50   3HD2  LEU   7          3HD2      LEU   7   9.340   1.826   3.785
   51    H    ALA   8           H        ALA   8  13.368  -0.264  -1.236
   52    HA   ALA   8           HA       ALA   8  11.916  -1.334  -3.468
   53   1HB   ALA   8          1HB       ALA   8  14.912  -1.603  -2.738
   54   2HB   ALA   8          2HB       ALA   8  14.223  -1.890  -4.349
   55   3HB   ALA   8          3HB       ALA   8  14.144  -0.273  -3.638
   56    H    ASN   9           H        ASN   9  14.268  -3.446  -1.716
   57    HA   ASN   9           HA       ASN   9  13.167  -6.038  -1.981
   58   1HB   ASN   9          1HB       ASN   9  14.162  -4.737   0.651
   59   2HB   ASN   9          2HB       ASN   9  13.952  -6.450   0.418
   60   1HD2  ASN   9          1HD2      ASN   9  16.919  -6.644  -1.694
   61   2HD2  ASN   9          2HD2      ASN   9  15.223  -7.301  -1.616
   62    H    ALA  10           H        ALA  10  11.908  -3.634   0.357
   63    HA   ALA  10           HA       ALA  10   9.770  -5.338   1.512
   64   1HB   ALA  10          1HB       ALA  10  10.848  -3.404   2.679
   65   2HB   ALA  10          2HB       ALA  10  10.128  -2.260   1.517
   66   3HB   ALA  10          3HB       ALA  10   9.087  -3.199   2.609
   67    H    PHE  11           H        PHE  11   9.634  -2.768  -0.998
   68    HA   PHE  11           HA       PHE  11   6.780  -3.031  -1.591
   69   1HB   PHE  11          1HB       PHE  11   8.189  -1.026  -2.086
   70   2HB   PHE  11          2HB       PHE  11   9.069  -1.904  -3.291
   71    HD1  PHE  11           HD1      PHE  11   7.972  -2.514  -5.537
   72    HD2  PHE  11           HD2      PHE  11   5.956  -0.082  -2.615
   73    HE1  PHE  11           HE1      PHE  11   6.402  -1.720  -7.264
   74    HE2  PHE  11           HE2      PHE  11   4.419   0.725  -4.363
   75    HZ   PHE  11           HZ       PHE  11   4.628  -0.092  -6.679
   76    H    ARG  12           H        ARG  12   9.574  -4.618  -3.152
   77    HA   ARG  12           HA       ARG  12   8.063  -6.355  -4.954
   78   1HB   ARG  12          1HB       ARG  12  10.774  -6.763  -3.570
   79   2HB   ARG  12          2HB       ARG  12  10.121  -7.915  -4.729
   80   1HG   ARG  12          1HG       ARG  12  10.106  -6.184  -6.531
   81   2HG   ARG  12          2HG       ARG  12  10.558  -4.913  -5.387
   82   1HD   ARG  12          1HD       ARG  12  12.810  -5.518  -5.356
   83   2HD   ARG  12          2HD       ARG  12  12.457  -7.266  -5.436
   84    HE   ARG  12           HE       ARG  12  11.672  -6.623  -7.974
   85   1HH1  ARG  12          2HH1      ARG  12  14.437  -5.345  -6.321
   86   2HH1  ARG  12          1HH1      ARG  12  15.365  -5.116  -7.881
   87   1HH2  ARG  12          1HH2      ARG  12  12.722  -6.355  -9.704
   88   2HH2  ARG  12          2HH2      ARG  12  14.409  -5.663  -9.714
   89    H    ILE  13           H        ILE  13   8.875  -6.789  -1.501
   90    HA   ILE  13           HA       ILE  13   8.189  -9.694  -1.456
   91    HB   ILE  13           HB       ILE  13   9.031  -7.704   0.698
   92   1HG1  ILE  13          1HG1      ILE  13  10.707  -9.019  -0.975
   93   2HG1  ILE  13          2HG1      ILE  13  11.131  -8.673   0.680
   94   1HG2  ILE  13          1HG2      ILE  13   7.388  -9.242   1.845
   95   2HG2  ILE  13          2HG2      ILE  13   8.256 -10.668   1.230
   96   3HG2  ILE  13          3HG2      ILE  13   9.013  -9.583   2.413
   97   1HD1  ILE  13          1HD1      ILE  13  10.465 -10.978   1.439
   98   2HD1  ILE  13          2HD1      ILE  13  10.080 -11.414  -0.244
   99   3HD1  ILE  13          3HD1      ILE  13  11.745 -10.996   0.204
  100    H    PHE  14           H        PHE  14   6.528  -6.716  -0.633
  101    HA   PHE  14           HA       PHE  14   3.983  -7.934   0.398
  102   1HB   PHE  14          1HB       PHE  14   4.643  -5.166  -0.802
  103   2HB   PHE  14          2HB       PHE  14   3.038  -5.608  -0.322
  104    HD1  PHE  14           HD1      PHE  14   4.628  -7.335   2.130
  105    HD2  PHE  14           HD2      PHE  14   4.174  -3.243   0.907
  106    HE1  PHE  14           HE1      PHE  14   5.049  -6.593   4.441
  107    HE2  PHE  14           HE2      PHE  14   4.617  -2.506   3.214
  108    HZ   PHE  14           HZ       PHE  14   5.067  -4.172   4.983
  109    H    ASP  15           H        ASP  15   5.122  -6.804  -2.802
  110    HA   ASP  15           HA       ASP  15   2.765  -7.334  -4.334
  111   1HB   ASP  15          1HB       ASP  15   4.655  -5.965  -5.129
  112   2HB   ASP  15          2HB       ASP  15   5.730  -7.355  -5.182
  113    H    LYS  16           H        LYS  16   2.197  -8.984  -5.870
  114    HA   LYS  16           HA       LYS  16   2.984 -11.774  -4.957
  115   1HB   LYS  16          1HB       LYS  16   0.923 -12.257  -4.209
  116   2HB   LYS  16          2HB       LYS  16   0.376 -10.640  -4.559
  117   1HG   LYS  16          1HG       LYS  16  -0.629 -11.336  -6.664
  118   2HG   LYS  16          2HG       LYS  16   0.408 -12.752  -6.794
  119   1HD   LYS  16          1HD       LYS  16  -1.100 -13.088  -4.338
  120   2HD   LYS  16          2HD       LYS  16  -2.228 -12.481  -5.548
  121   1HE   LYS  16          1HE       LYS  16  -1.951 -15.097  -5.305
  122   2HE   LYS  16          2HE       LYS  16  -2.172 -14.385  -6.917
  123   1HZ   LYS  16          1HZ       LYS  16   0.668 -14.534  -5.892
  124   2HZ   LYS  16          2HZ       LYS  16  -0.025 -15.936  -6.424
  125   3HZ   LYS  16          3HZ       LYS  16   0.099 -14.661  -7.429
  126    H    ASN  17           H        ASN  17   1.588  -9.752  -7.520
  127    HA   ASN  17           HA       ASN  17   2.111 -11.894  -9.585
  128   1HB   ASN  17          1HB       ASN  17  -0.173 -11.100  -9.408
  129   2HB   ASN  17          2HB       ASN  17   0.290  -9.427  -9.569
  130   1HD2  ASN  17          1HD2      ASN  17   0.360 -11.419 -13.106
  131   2HD2  ASN  17          2HD2      ASN  17   1.492 -11.920 -11.807
  132    H    ALA  18           H        ALA  18   2.794  -8.356  -9.277
  133    HA   ALA  18           HA       ALA  18   4.999  -7.370  -9.555
  134   1HB   ALA  18          1HB       ALA  18   5.845  -9.667  -8.941
  135   2HB   ALA  18          2HB       ALA  18   5.723 -10.162 -10.644
  136   3HB   ALA  18          3HB       ALA  18   6.876  -8.899 -10.180
  137    H    ASP  19           H        ASP  19   2.936  -7.065 -11.625
  138    HA   ASP  19           HA       ASP  19   4.739  -6.189 -13.906
  139   1HB   ASP  19          1HB       ASP  19   2.761  -5.541 -15.055
  140   2HB   ASP  19          2HB       ASP  19   2.266  -6.975 -14.166
  141    H    GLY  20           H        GLY  20   4.956  -5.280 -10.980
  142   1HA   GLY  20          1HA       GLY  20   6.476  -3.441 -10.397
  143   2HA   GLY  20          2HA       GLY  20   5.874  -2.528 -11.787
  144    H    TYR  21           H        TYR  21   3.123  -3.421 -10.244
  145    HA   TYR  21           HA       TYR  21   2.968  -0.800  -8.623
  146   1HB   TYR  21          1HB       TYR  21   0.723  -2.166 -10.241
  147   2HB   TYR  21          2HB       TYR  21   0.503  -0.784  -9.209
  148    HD1  TYR  21           HD1      TYR  21   3.404   0.405 -10.228
  149    HD2  TYR  21           HD2      TYR  21  -0.266  -0.792 -12.125
  150    HE1  TYR  21           HE1      TYR  21   3.858   1.942 -12.099
  151    HE2  TYR  21           HE2      TYR  21   0.233   0.733 -14.007
  152    HH   TYR  21           HH       TYR  21   2.120   3.139 -14.004
  153    H    ILE  22           H        ILE  22   1.798  -0.781  -6.702
  154    HA   ILE  22           HA       ILE  22   0.794  -3.402  -5.500
  155    HB   ILE  22           HB       ILE  22   0.915  -0.663  -4.132
  156   1HG1  ILE  22          1HG1      ILE  22   3.233  -2.013  -4.825
  157   2HG1  ILE  22          2HG1      ILE  22   3.081  -0.943  -3.458
  158   1HG2  ILE  22          1HG2      ILE  22  -0.707  -2.276  -3.037
  159   2HG2  ILE  22          2HG2      ILE  22   0.573  -3.496  -2.895
  160   3HG2  ILE  22          3HG2      ILE  22   0.658  -1.972  -1.976
  161   1HD1  ILE  22          1HD1      ILE  22   2.543  -2.898  -1.917
  162   2HD1  ILE  22          2HD1      ILE  22   2.898  -4.003  -3.269
  163   3HD1  ILE  22          3HD1      ILE  22   4.172  -2.940  -2.637
  164    H    ASP  23           H        ASP  23  -1.270  -3.945  -5.458
  165    HA   ASP  23           HA       ASP  23  -3.295  -2.022  -6.715
  166   1HB   ASP  23          1HB       ASP  23  -4.358  -4.065  -7.713
  167   2HB   ASP  23          2HB       ASP  23  -2.681  -3.877  -8.205
  168    H    ILE  24           H        ILE  24  -5.650  -3.072  -6.321
  169    HA   ILE  24           HA       ILE  24  -6.279  -2.456  -3.438
  170    HB   ILE  24           HB       ILE  24  -7.716  -1.914  -5.631
  171   1HG1  ILE  24          1HG1      ILE  24  -9.911  -2.072  -4.070
  172   2HG1  ILE  24          2HG1      ILE  24  -8.779  -2.500  -2.816
  173   1HG2  ILE  24          1HG2      ILE  24  -8.182  -4.318  -6.300
  174   2HG2  ILE  24          2HG2      ILE  24  -8.987  -4.607  -4.745
  175   3HG2  ILE  24          3HG2      ILE  24  -9.682  -3.482  -5.939
  176   1HD1  ILE  24          1HD1      ILE  24  -7.457  -0.359  -3.208
  177   2HD1  ILE  24          2HD1      ILE  24  -8.731   0.171  -4.334
  178   3HD1  ILE  24          3HD1      ILE  24  -9.123  -0.109  -2.624
  179    H    GLU  25           H        GLU  25  -6.073  -5.321  -5.486
  180    HA   GLU  25           HA       GLU  25  -7.290  -7.203  -3.493
  181   1HB   GLU  25          1HB       GLU  25  -7.316  -7.361  -6.098
  182   2HB   GLU  25          2HB       GLU  25  -5.731  -8.061  -5.964
  183   1HG   GLU  25          1HG       GLU  25  -7.353  -9.896  -6.160
  184   2HG   GLU  25          2HG       GLU  25  -6.714  -9.967  -4.528
  185    H    GLU  26           H        GLU  26  -4.060  -6.117  -4.230
  186    HA   GLU  26           HA       GLU  26  -2.661  -7.982  -2.344
  187   1HB   GLU  26          1HB       GLU  26  -1.768  -5.477  -3.814
  188   2HB   GLU  26          2HB       GLU  26  -0.767  -6.187  -2.585
  189   1HG   GLU  26          1HG       GLU  26  -0.547  -8.318  -3.918
  190   2HG   GLU  26          2HG       GLU  26  -1.694  -7.737  -5.112
  191    H    LEU  27           H        LEU  27  -4.320  -4.939  -2.037
  192    HA   LEU  27           HA       LEU  27  -2.962  -3.835   0.267
  193   1HB   LEU  27          1HB       LEU  27  -4.355  -2.527  -1.287
  194   2HB   LEU  27          2HB       LEU  27  -5.809  -3.339  -0.769
  195    HG   LEU  27           HG       LEU  27  -5.367  -2.351   1.627
  196   1HD1  LEU  27          1HD1      LEU  27  -2.982  -1.711   1.256
  197   2HD1  LEU  27          2HD1      LEU  27  -3.457  -0.513   0.020
  198   3HD1  LEU  27          3HD1      LEU  27  -3.954  -0.319   1.726
  199   1HD2  LEU  27          1HD2      LEU  27  -6.011  -0.373  -0.686
  200   2HD2  LEU  27          2HD2      LEU  27  -7.182  -1.444   0.139
  201   3HD2  LEU  27          3HD2      LEU  27  -6.396  -0.145   1.043
  202    H    GLY  28           H        GLY  28  -6.336  -5.018   0.535
  203   1HA   GLY  28          1HA       GLY  28  -6.624  -5.381   3.278
  204   2HA   GLY  28          2HA       GLY  28  -7.367  -6.529   2.158
  205    H    GLU  29           H        GLU  29  -5.035  -7.825   1.222
  206    HA   GLU  29           HA       GLU  29  -4.761  -9.800   3.399
  207   1HB   GLU  29          1HB       GLU  29  -5.103 -10.202   0.876
  208   2HB   GLU  29          2HB       GLU  29  -3.393  -9.971   0.676
  209   1HG   GLU  29          1HG       GLU  29  -2.837 -12.060   1.693
  210   2HG   GLU  29          2HG       GLU  29  -4.253 -12.083   2.727
  211    H    ILE  30           H        ILE  30  -2.457  -7.546   1.982
  212    HA   ILE  30           HA       ILE  30  -0.078  -8.123   3.666
  213    HB   ILE  30           HB       ILE  30  -1.115  -5.519   2.443
  214   1HG1  ILE  30          1HG1      ILE  30   1.629  -6.528   1.700
  215   2HG1  ILE  30          2HG1      ILE  30   0.338  -7.595   1.218
  216   1HG2  ILE  30          1HG2      ILE  30   0.124  -4.904   4.551
  217   2HG2  ILE  30          2HG2      ILE  30   1.530  -5.868   4.029
  218   3HG2  ILE  30          3HG2      ILE  30   1.038  -4.403   3.133
  219   1HD1  ILE  30          1HD1      ILE  30   0.438  -4.636   0.324
  220   2HD1  ILE  30          2HD1      ILE  30   0.857  -6.071  -0.636
  221   3HD1  ILE  30          3HD1      ILE  30  -0.816  -5.831  -0.096
  222    H    LEU  31           H        LEU  31  -2.838  -5.883   4.218
  223    HA   LEU  31           HA       LEU  31  -1.826  -5.070   6.924
  224   1HB   LEU  31          1HB       LEU  31  -3.728  -3.587   7.038
  225   2HB   LEU  31          2HB       LEU  31  -2.979  -3.437   5.467
  226    HG   LEU  31           HG       LEU  31  -4.890  -5.190   4.704
  227   1HD1  LEU  31          1HD1      LEU  31  -6.118  -3.879   7.223
  228   2HD1  LEU  31          2HD1      LEU  31  -7.030  -4.762   5.970
  229   3HD1  LEU  31          3HD1      LEU  31  -5.820  -5.616   6.932
  230   1HD2  LEU  31          1HD2      LEU  31  -5.411  -2.173   5.213
  231   2HD2  LEU  31          2HD2      LEU  31  -4.743  -2.907   3.729
  232   3HD2  LEU  31          3HD2      LEU  31  -6.421  -3.221   4.183
  233    H    ARG  32           H        ARG  32  -3.706  -7.743   5.891
  234    HA   ARG  32           HA       ARG  32  -4.355  -8.370   8.822
  235   1HB   ARG  32          1HB       ARG  32  -6.280  -8.345   7.442
  236   2HB   ARG  32          2HB       ARG  32  -5.482  -9.134   6.082
  237   1HG   ARG  32          1HG       ARG  32  -5.931 -11.276   6.936
  238   2HG   ARG  32          2HG       ARG  32  -5.603 -10.782   8.607
  239   1HD   ARG  32          1HD       ARG  32  -7.921  -9.309   8.146
  240   2HD   ARG  32          2HD       ARG  32  -8.223 -10.681   7.055
  241    HE   ARG  32           HE       ARG  32  -7.232 -11.638   9.694
  242   1HH1  ARG  32          2HH1      ARG  32 -10.136 -10.551   8.128
  243   2HH1  ARG  32          1HH1      ARG  32 -11.199 -11.444   9.316
  244   1HH2  ARG  32          1HH2      ARG  32  -8.461 -12.612  11.025
  245   2HH2  ARG  32          2HH2      ARG  32 -10.277 -12.536  10.877
  246    H    ALA  33           H        ALA  33  -3.670 -10.576   6.112
  247    HA   ALA  33           HA       ALA  33  -2.625 -12.700   7.635
  248   1HB   ALA  33          1HB       ALA  33  -3.421 -12.863   5.281
  249   2HB   ALA  33          2HB       ALA  33  -1.964 -12.015   4.694
  250   3HB   ALA  33          3HB       ALA  33  -1.827 -13.619   5.446
  251    H    THR  34           H        THR  34  -0.643 -13.529   8.287
  252    HA   THR  34           HA       THR  34   1.840 -11.860   8.114
  253    HB   THR  34           HB       THR  34   2.753 -13.201   9.771
  254    HG1  THR  34           HG1      THR  34   2.771 -15.188   8.867
  255   1HG2  THR  34          2HG2      THR  34   0.458 -12.301  10.535
  256   2HG2  THR  34          3HG2      THR  34  -0.250 -13.887  10.134
  257   3HG2  THR  34          1HG2      THR  34   0.967 -13.764  11.417
  258    H    GLY  35           H        GLY  35   0.866 -12.734   5.531
  259   1HA   GLY  35          1HA       GLY  35   1.141 -14.348   3.661
  260   2HA   GLY  35          2HA       GLY  35   2.791 -13.761   3.903
  261   1HN   NH2  36          1HN       NH2  36   4.432 -15.132   4.756
  262   2HN   NH2  36          2HN       NH2  36   4.165 -16.879   5.003
  263   1H    ACE  37          1HH3      ACE  37 -17.038  -2.407  13.130
  264   2H    ACE  37          2HH3      ACE  37 -17.293  -2.821  11.400
  265   3H    ACE  37          3HH3      ACE  37 -17.471  -4.072  12.657
  266    H    VAL  38           H        VAL  38 -15.056  -1.814  11.325
  267    HA   VAL  38           HA       VAL  38 -12.709  -2.058  10.841
  268    HB   VAL  38           HB       VAL  38 -12.503  -3.767  13.371
  269   1HG1  VAL  38          1HG1      VAL  38 -10.464  -1.917  11.933
  270   2HG1  VAL  38          2HG1      VAL  38 -10.176  -2.684  13.512
  271   3HG1  VAL  38          3HG1      VAL  38 -10.378  -3.683  12.069
  272   1HG2  VAL  38          1HG2      VAL  38 -13.697  -1.625  14.008
  273   2HG2  VAL  38          2HG2      VAL  38 -12.043  -1.641  14.658
  274   3HG2  VAL  38          3HG2      VAL  38 -12.424  -0.674  13.212
  275    H    THR  39           H        THR  39 -13.194  -3.240   8.954
  276    HA   THR  39           HA       THR  39 -12.609  -6.192   8.979
  277    HB   THR  39           HB       THR  39 -15.190  -5.370   7.550
  278    HG1  THR  39           HG1      THR  39 -15.966  -5.212   9.479
  279   1HG2  THR  39          2HG2      THR  39 -14.063  -8.088   8.529
  280   2HG2  THR  39          3HG2      THR  39 -15.624  -7.860   7.701
  281   3HG2  THR  39          1HG2      THR  39 -14.106  -7.523   6.842
  282    H    GLU  40           H        GLU  40 -13.839  -6.108   6.065
  283    HA   GLU  40           HA       GLU  40 -11.715  -4.668   4.607
  284   1HB   GLU  40          1HB       GLU  40 -13.006  -6.739   3.853
  285   2HB   GLU  40          2HB       GLU  40 -14.325  -5.702   3.405
  286   1HG   GLU  40          1HG       GLU  40 -12.938  -6.303   1.408
  287   2HG   GLU  40          2HG       GLU  40 -12.903  -4.566   1.649
  288    H    GLU  41           H        GLU  41 -14.911  -3.670   5.614
  289    HA   GLU  41           HA       GLU  41 -15.301  -1.488   3.786
  290   1HB   GLU  41          1HB       GLU  41 -16.558  -2.073   6.491
  291   2HB   GLU  41          2HB       GLU  41 -17.024  -0.672   5.576
  292   1HG   GLU  41          1HG       GLU  41 -17.365  -2.697   3.635
  293   2HG   GLU  41          2HG       GLU  41 -17.732  -3.574   5.109
  294    H    ASP  42           H        ASP  42 -13.915  -1.277   7.047
  295    HA   ASP  42           HA       ASP  42 -13.202   1.595   7.083
  296   1HB   ASP  42          1HB       ASP  42 -12.267  -0.918   8.542
  297   2HB   ASP  42          2HB       ASP  42 -11.279   0.531   8.663
  298    H    ILE  43           H        ILE  43 -11.563  -1.245   5.713
  299    HA   ILE  43           HA       ILE  43  -9.012   0.137   4.948
  300    HB   ILE  43           HB       ILE  43 -10.235  -2.543   4.169
  301   1HG1  ILE  43          1HG1      ILE  43  -7.886  -3.371   5.015
  302   2HG1  ILE  43          2HG1      ILE  43  -7.646  -1.766   5.652
  303   1HG2  ILE  43          1HG2      ILE  43  -9.161  -1.698   2.045
  304   2HG2  ILE  43          2HG2      ILE  43  -7.653  -1.350   2.914
  305   3HG2  ILE  43          3HG2      ILE  43  -8.215  -3.027   2.700
  306   1HD1  ILE  43          1HD1      ILE  43  -9.701  -1.954   7.117
  307   2HD1  ILE  43          2HD1      ILE  43  -9.888  -3.652   6.602
  308   3HD1  ILE  43          3HD1      ILE  43  -8.433  -3.144   7.488
  309    H    GLU  44           H        GLU  44 -12.027  -0.690   3.143
  310    HA   GLU  44           HA       GLU  44 -10.847   0.156   0.521
  311   1HB   GLU  44          1HB       GLU  44 -13.322  -1.221   1.410
  312   2HB   GLU  44          2HB       GLU  44 -13.576  -0.168   0.051
  313   1HG   GLU  44          1HG       GLU  44 -11.180  -1.827  -0.485
  314   2HG   GLU  44          2HG       GLU  44 -12.495  -2.866   0.033
  315    H    ASP  45           H        ASP  45 -12.947   1.627   2.909
  316    HA   ASP  45           HA       ASP  45 -13.572   4.105   1.327
  317   1HB   ASP  45          1HB       ASP  45 -14.008   3.268   4.252
  318   2HB   ASP  45          2HB       ASP  45 -14.361   4.902   3.708
  319    H    LEU  46           H        LEU  46 -11.168   3.198   3.771
  320    HA   LEU  46           HA       LEU  46  -9.659   5.744   3.883
  321   1HB   LEU  46          1HB       LEU  46  -9.413   3.854   5.481
  322   2HB   LEU  46          2HB       LEU  46  -8.701   2.842   4.247
  323    HG   LEU  46           HG       LEU  46  -7.266   5.467   4.818
  324   1HD1  LEU  46          1HD1      LEU  46  -8.065   4.097   7.049
  325   2HD1  LEU  46          2HD1      LEU  46  -6.541   3.227   6.708
  326   3HD1  LEU  46          3HD1      LEU  46  -6.548   5.000   6.932
  327   1HD2  LEU  46          1HD2      LEU  46  -6.446   2.627   3.977
  328   2HD2  LEU  46          2HD2      LEU  46  -6.036   4.205   3.242
  329   3HD2  LEU  46          3HD2      LEU  46  -5.270   3.724   4.758
  330    H    MET  47           H        MET  47  -8.988   2.927   1.770
  331    HA   MET  47           HA       MET  47  -6.978   4.134   0.130
  332   1HB   MET  47          1HB       MET  47  -7.405   1.745   0.014
  333   2HB   MET  47          2HB       MET  47  -9.049   1.982  -0.555
  334   1HG   MET  47          1HG       MET  47  -8.307   1.791  -2.708
  335   2HG   MET  47          2HG       MET  47  -7.461   3.337  -2.520
  336   1HE   MET  47          1HE       MET  47  -5.924   2.479  -4.401
  337   2HE   MET  47          2HE       MET  47  -5.123   3.510  -3.180
  338   3HE   MET  47          3HE       MET  47  -4.279   2.065  -3.808
  339    H    LYS  48           H        LYS  48 -10.510   4.322  -0.315
  340    HA   LYS  48           HA       LYS  48 -10.438   6.018  -2.771
  341   1HB   LYS  48          1HB       LYS  48 -12.462   4.848  -0.906
  342   2HB   LYS  48          2HB       LYS  48 -13.005   6.335  -1.620
  343   1HG   LYS  48          1HG       LYS  48 -13.733   4.240  -2.909
  344   2HG   LYS  48          2HG       LYS  48 -12.880   5.385  -3.895
  345   1HD   LYS  48          1HD       LYS  48 -10.682   4.020  -3.357
  346   2HD   LYS  48          2HD       LYS  48 -11.708   2.721  -2.846
  347   1HE   LYS  48          1HE       LYS  48 -11.129   3.769  -5.642
  348   2HE   LYS  48          2HE       LYS  48 -11.428   2.123  -5.109
  349   1HZ   LYS  48          1HZ       LYS  48 -13.939   3.001  -4.742
  350   2HZ   LYS  48          2HZ       LYS  48 -13.518   4.114  -5.894
  351   3HZ   LYS  48          3HZ       LYS  48 -13.450   2.506  -6.166
  352    H    ASP  49           H        ASP  49 -10.161   6.674   0.626
  353    HA   ASP  49           HA       ASP  49 -10.872   9.607   0.520
  354   1HB   ASP  49          1HB       ASP  49 -11.107   8.187   2.627
  355   2HB   ASP  49          2HB       ASP  49  -9.356   8.079   2.731
  356    H    SER  50           H        SER  50  -7.859   7.713   0.521
  357    HA   SER  50           HA       SER  50  -6.167  10.179   0.331
  358   1HB   SER  50          1HB       SER  50  -4.424   8.842   1.116
  359   2HB   SER  50          2HB       SER  50  -5.786   7.897   1.709
  360    HG   SER  50           HG       SER  50  -5.588   6.805  -0.482
  361    H    ASP  51           H        ASP  51  -7.086   7.568  -1.848
  362    HA   ASP  51           HA       ASP  51  -5.074   7.977  -3.903
  363   1HB   ASP  51          1HB       ASP  51  -6.505   5.897  -3.489
  364   2HB   ASP  51          2HB       ASP  51  -7.865   6.706  -4.254
  365    H    LYS  52           H        LYS  52  -4.848  10.134  -4.496
  366    HA   LYS  52           HA       LYS  52  -7.055  12.090  -4.879
  367   1HB   LYS  52          1HB       LYS  52  -4.152  12.128  -5.866
  368   2HB   LYS  52          2HB       LYS  52  -5.186  13.523  -5.862
  369   1HG   LYS  52          1HG       LYS  52  -3.715  12.153  -3.556
  370   2HG   LYS  52          2HG       LYS  52  -3.871  13.845  -3.907
  371   1HD   LYS  52          1HD       LYS  52  -6.246  13.902  -3.132
  372   2HD   LYS  52          2HD       LYS  52  -6.244  12.213  -2.746
  373   1HE   LYS  52          1HE       LYS  52  -5.883  13.311  -0.610
  374   2HE   LYS  52          2HE       LYS  52  -4.272  12.749  -1.050
  375   1HZ   LYS  52          1HZ       LYS  52  -4.209  15.235  -2.241
  376   2HZ   LYS  52          2HZ       LYS  52  -5.265  15.551  -1.037
  377   3HZ   LYS  52          3HZ       LYS  52  -3.813  15.057  -0.642
  378    H    ASN  53           H        ASN  53  -4.878  10.588  -7.298
  379    HA   ASN  53           HA       ASN  53  -6.047  11.794  -9.581
  380   1HB   ASN  53          1HB       ASN  53  -4.784  10.052 -10.939
  381   2HB   ASN  53          2HB       ASN  53  -3.823  10.786  -9.685
  382   1HD2  ASN  53          1HD2      ASN  53  -3.568   6.963  -9.744
  383   2HD2  ASN  53          2HD2      ASN  53  -3.638   8.171 -11.104
  384    H    ASN  54           H        ASN  54  -7.336   8.997  -7.956
  385    HA   ASN  54           HA       ASN  54  -8.939   7.286  -8.551
  386   1HB   ASN  54          1HB       ASN  54 -10.024   9.931  -9.711
  387   2HB   ASN  54          2HB       ASN  54 -10.949   8.463  -9.863
  388   1HD2  ASN  54          1HD2      ASN  54 -11.902   8.487  -6.413
  389   2HD2  ASN  54          2HD2      ASN  54 -11.697   7.430  -7.881
  390    H    ASP  55           H        ASP  55  -6.749   7.063 -10.216
  391    HA   ASP  55           HA       ASP  55  -7.935   6.051 -12.847
  392   1HB   ASP  55          1HB       ASP  55  -5.863   7.019 -13.384
  393   2HB   ASP  55          2HB       ASP  55  -5.100   6.567 -11.865
  394    H    GLY  56           H        GLY  56  -6.167   4.792 -10.004
  395   1HA   GLY  56          1HA       GLY  56  -8.027   2.963  -9.074
  396   2HA   GLY  56          2HA       GLY  56  -7.259   1.980 -10.330
  397    H    ARG  57           H        ARG  57  -4.598   2.602 -10.026
  398    HA   ARG  57           HA       ARG  57  -4.081   0.925  -7.519
  399   1HB   ARG  57          1HB       ARG  57  -2.947   0.820 -10.370
  400   2HB   ARG  57          2HB       ARG  57  -2.208  -0.071  -9.040
  401   1HG   ARG  57          1HG       ARG  57  -3.671  -1.769  -9.587
  402   2HG   ARG  57          2HG       ARG  57  -4.906  -0.825  -8.757
  403   1HD   ARG  57          1HD       ARG  57  -5.815   0.048 -10.827
  404   2HD   ARG  57          2HD       ARG  57  -4.308  -0.215 -11.702
  405    HE   ARG  57           HE       ARG  57  -4.990  -2.862 -10.803
  406   1HH1  ARG  57          2HH1      ARG  57  -6.575  -0.569 -12.862
  407   2HH1  ARG  57          1HH1      ARG  57  -7.480  -1.910 -13.740
  408   1HH2  ARG  57          1HH2      ARG  57  -5.923  -4.288 -11.833
  409   2HH2  ARG  57          2HH2      ARG  57  -7.118  -3.932 -13.174
  410    H    ILE  58           H        ILE  58  -1.826   0.785  -6.755
  411    HA   ILE  58           HA       ILE  58  -0.640   3.569  -6.457
  412    HB   ILE  58           HB       ILE  58  -0.551   1.115  -4.635
  413   1HG1  ILE  58          1HG1      ILE  58  -1.789   3.922  -4.229
  414   2HG1  ILE  58          2HG1      ILE  58  -2.675   2.452  -4.522
  415   1HG2  ILE  58          1HG2      ILE  58   1.696   2.272  -4.467
  416   2HG2  ILE  58          2HG2      ILE  58   0.894   3.820  -4.134
  417   3HG2  ILE  58          3HG2      ILE  58   0.785   2.475  -2.975
  418   1HD1  ILE  58          1HD1      ILE  58  -1.864   1.436  -2.345
  419   2HD1  ILE  58          2HD1      ILE  58  -1.060   2.979  -1.955
  420   3HD1  ILE  58          3HD1      ILE  58  -2.827   2.920  -2.139
  421    H    ASP  59           H        ASP  59   1.472   4.057  -6.887
  422    HA   ASP  59           HA       ASP  59   3.361   1.887  -7.844
  423   1HB   ASP  59          1HB       ASP  59   4.658   3.743  -8.842
  424   2HB   ASP  59          2HB       ASP  59   2.963   3.873  -9.289
  425    H    PHE  60           H        PHE  60   5.834   2.768  -7.322
  426    HA   PHE  60           HA       PHE  60   6.448   2.286  -4.519
  427   1HB   PHE  60          1HB       PHE  60   7.990   2.145  -6.637
  428   2HB   PHE  60          2HB       PHE  60   8.274   3.842  -6.438
  429    HD1  PHE  60           HD1      PHE  60   8.926   0.526  -4.823
  430    HD2  PHE  60           HD2      PHE  60   9.753   4.741  -4.736
  431    HE1  PHE  60           HE1      PHE  60  10.769   0.141  -3.226
  432    HE2  PHE  60           HE2      PHE  60  11.616   4.344  -3.188
  433    HZ   PHE  60           HZ       PHE  60  12.142   2.047  -2.436
  434    H    ASP  61           H        ASP  61   5.729   5.342  -6.114
  435    HA   ASP  61           HA       ASP  61   6.735   7.293  -4.112
  436   1HB   ASP  61          1HB       ASP  61   6.095   8.335  -6.155
  437   2HB   ASP  61          2HB       ASP  61   4.762   7.235  -6.445
  438    H    GLU  62           H        GLU  62   3.381   6.854  -4.833
  439    HA   GLU  62           HA       GLU  62   1.938   7.273  -2.394
  440   1HB   GLU  62          1HB       GLU  62   1.347   5.134  -4.489
  441   2HB   GLU  62          2HB       GLU  62   0.236   5.617  -3.244
  442   1HG   GLU  62          1HG       GLU  62   0.123   7.968  -4.234
  443   2HG   GLU  62          2HG       GLU  62   1.286   7.517  -5.468
  444    H    PHE  63           H        PHE  63   4.061   4.501  -2.983
  445    HA   PHE  63           HA       PHE  63   3.050   2.763  -0.741
  446   1HB   PHE  63          1HB       PHE  63   4.418   2.001  -2.792
  447   2HB   PHE  63          2HB       PHE  63   5.807   2.773  -2.107
  448    HD1  PHE  63           HD1      PHE  63   3.350   0.020  -1.165
  449    HD2  PHE  63           HD2      PHE  63   7.329   1.615  -0.788
  450    HE1  PHE  63           HE1      PHE  63   4.050  -1.974   0.091
  451    HE2  PHE  63           HE2      PHE  63   8.021  -0.403   0.389
  452    HZ   PHE  63           HZ       PHE  63   6.374  -2.173   0.919
  453    H    LEU  64           H        LEU  64   5.916   4.856  -1.126
  454    HA   LEU  64           HA       LEU  64   6.825   5.064   1.602
  455   1HB   LEU  64          1HB       LEU  64   6.919   7.111  -0.671
  456   2HB   LEU  64          2HB       LEU  64   7.724   7.396   0.851
  457    HG   LEU  64           HG       LEU  64   8.344   4.862  -0.765
  458   1HD1  LEU  64          1HD1      LEU  64   9.553   7.681  -1.203
  459   2HD1  LEU  64          2HD1      LEU  64  10.243   6.166  -1.843
  460   3HD1  LEU  64          3HD1      LEU  64   8.637   6.683  -2.364
  461   1HD2  LEU  64          1HD2      LEU  64  10.005   6.525   1.270
  462   2HD2  LEU  64          2HD2      LEU  64   9.335   4.886   1.516
  463   3HD2  LEU  64          3HD2      LEU  64  10.629   5.142   0.336
  464    H    LYS  65           H        LYS  65   4.480   7.325   0.060
  465    HA   LYS  65           HA       LYS  65   3.594   8.704   2.452
  466   1HB   LYS  65          1HB       LYS  65   1.951   7.933  -0.024
  467   2HB   LYS  65          2HB       LYS  65   1.689   9.346   0.979
  468   1HG   LYS  65          1HG       LYS  65   4.022  10.193   0.120
  469   2HG   LYS  65          2HG       LYS  65   4.040   8.782  -0.955
  470   1HD   LYS  65          1HD       LYS  65   2.393   9.563  -2.341
  471   2HD   LYS  65          2HD       LYS  65   1.426  10.280  -1.049
  472   1HE   LYS  65          1HE       LYS  65   3.633  11.478  -2.809
  473   2HE   LYS  65          2HE       LYS  65   2.068  12.166  -2.339
  474   1HZ   LYS  65          1HZ       LYS  65   4.284  11.729  -0.306
  475   2HZ   LYS  65          2HZ       LYS  65   4.129  13.140  -1.061
  476   3HZ   LYS  65          3HZ       LYS  65   2.940  12.613  -0.048
  477    H    MET  66           H        MET  66   2.518   5.576   1.139
  478    HA   MET  66           HA       MET  66   0.306   5.164   2.992
  479   1HB   MET  66          1HB       MET  66   0.724   4.101   0.666
  480   2HB   MET  66          2HB       MET  66   1.828   2.988   1.445
  481   1HG   MET  66          1HG       MET  66  -0.378   2.573   3.072
  482   2HG   MET  66          2HG       MET  66  -1.185   2.975   1.544
  483   1HE   MET  66          1HE       MET  66   0.844   2.126  -0.674
  484   2HE   MET  66          2HE       MET  66   0.293   0.458  -1.013
  485   3HE   MET  66          3HE       MET  66  -0.907   1.749  -0.704
  486    H    MET  67           H        MET  67   3.677   4.102   3.244
  487    HA   MET  67           HA       MET  67   3.182   2.538   5.789
  488   1HB   MET  67          1HB       MET  67   4.811   1.821   3.892
  489   2HB   MET  67          2HB       MET  67   5.863   3.129   4.394
  490   1HG   MET  67          1HG       MET  67   6.659   2.031   6.263
  491   2HG   MET  67          2HG       MET  67   5.087   1.320   6.677
  492   1HE   MET  67          1HE       MET  67   4.672  -0.819   6.687
  493   2HE   MET  67          2HE       MET  67   4.063  -1.002   5.014
  494   3HE   MET  67          3HE       MET  67   5.284  -2.149   5.656
  495    H    GLU  68           H        GLU  68   4.653   5.706   4.924
  496    HA   GLU  68           HA       GLU  68   4.993   6.533   7.703
  497   1HB   GLU  68          1HB       GLU  68   4.619   8.087   5.124
  498   2HB   GLU  68          2HB       GLU  68   4.673   8.926   6.644
  499   1HG   GLU  68          1HG       GLU  68   7.024   8.063   7.072
  500   2HG   GLU  68          2HG       GLU  68   6.973   7.120   5.594
  501    H    GLY  69           H        GLY  69   2.185   7.552   5.646
  502   1HA   GLY  69          1HA       GLY  69  -0.062   8.137   6.432
  503   2HA   GLY  69          2HA       GLY  69   0.448   7.782   8.087
  504    H    VAL  70           H        VAL  70   1.498  10.223   5.670
  505    HA   VAL  70           HA       VAL  70   1.527  12.354   7.887
  506    HB   VAL  70           HB       VAL  70   3.004  12.414   5.197
  507   1HG1  VAL  70          1HG1      VAL  70   3.078  14.437   7.551
  508   2HG1  VAL  70          2HG1      VAL  70   4.168  14.469   6.141
  509   3HG1  VAL  70          3HG1      VAL  70   2.439  14.745   5.918
  510   1HG2  VAL  70          1HG2      VAL  70   4.098  10.813   6.820
  511   2HG2  VAL  70          2HG2      VAL  70   5.116  12.216   6.534
  512   3HG2  VAL  70          3HG2      VAL  70   4.186  12.086   8.057
  513    H    GLN  71           H        GLN  71  -0.588  12.907   7.901
  514    HA   GLN  71           HA       GLN  71  -1.333  14.880   5.776
  515   1HB   GLN  71          1HB       GLN  71  -2.958  13.773   4.718
  516   2HB   GLN  71          2HB       GLN  71  -2.488  12.317   5.593
  517   1HG   GLN  71          1HG       GLN  71  -4.114  13.175   7.506
  518   2HG   GLN  71          2HG       GLN  71  -4.731  14.334   6.343
  519   1HE2  GLN  71          1HE2      GLN  71  -6.885  11.292   6.287
  520   2HE2  GLN  71          2HE2      GLN  71  -6.359  12.567   7.519
  521   1HN   NH2  72          1HN       NH2  72  -2.841  16.573   6.491
  522   2HN   NH2  72          2HN       NH2  72  -3.149  16.822   8.230
   
  No H/Q in entry =         522
  Start of MODEL   32
    1   1H    ACE   1          1HH3      ACE   1  16.049  10.885   3.162
    2   2H    ACE   1          2HH3      ACE   1  16.809  12.204   2.201
    3   3H    ACE   1          3HH3      ACE   1  15.057  11.879   2.072
    4    H    LYS   2           H        LYS   2  18.208  10.287   1.521
    5    HA   LYS   2           HA       LYS   2  17.168   9.029  -0.991
    6   1HB   LYS   2          1HB       LYS   2  19.720   8.135  -0.933
    7   2HB   LYS   2          2HB       LYS   2  19.281   9.703  -1.573
    8   1HG   LYS   2          1HG       LYS   2  20.161  10.843   0.444
    9   2HG   LYS   2          2HG       LYS   2  20.028   9.400   1.415
   10   1HD   LYS   2          1HD       LYS   2  21.918   9.111  -0.925
   11   2HD   LYS   2          2HD       LYS   2  22.395  10.363   0.224
   12   1HE   LYS   2          1HE       LYS   2  21.492   7.664   1.348
   13   2HE   LYS   2          2HE       LYS   2  23.110   7.742   0.628
   14   1HZ   LYS   2          1HZ       LYS   2  23.178  10.008   2.120
   15   2HZ   LYS   2          2HZ       LYS   2  22.115   9.309   3.032
   16   3HZ   LYS   2          3HZ       LYS   2  23.614   8.620   2.826
   17    H    SER   3           H        SER   3  16.176   7.951   1.612
   18    HA   SER   3           HA       SER   3  16.886   5.047   1.360
   19   1HB   SER   3          1HB       SER   3  15.191   4.770   3.155
   20   2HB   SER   3          2HB       SER   3  16.379   5.984   3.565
   21    HG   SER   3           HG       SER   3  14.940   7.585   3.276
   22    H    GLU   4           H        GLU   4  16.440   4.855  -0.925
   23    HA   GLU   4           HA       GLU   4  13.518   4.156  -1.479
   24   1HB   GLU   4          1HB       GLU   4  15.258   4.440  -3.885
   25   2HB   GLU   4          2HB       GLU   4  13.531   4.566  -3.654
   26   1HG   GLU   4          1HG       GLU   4  15.342   6.800  -2.553
   27   2HG   GLU   4          2HG       GLU   4  14.981   6.748  -4.275
   28    H    GLU   5           H        GLU   5  16.696   2.968  -1.108
   29    HA   GLU   5           HA       GLU   5  16.563   0.654  -2.823
   30   1HB   GLU   5          1HB       GLU   5  18.690   1.407  -2.385
   31   2HB   GLU   5          2HB       GLU   5  18.453   1.574  -0.672
   32   1HG   GLU   5          1HG       GLU   5  18.694  -1.199  -2.038
   33   2HG   GLU   5          2HG       GLU   5  20.085  -0.311  -1.444
   34    H    GLU   6           H        GLU   6  16.102   0.679   0.718
   35    HA   GLU   6           HA       GLU   6  15.425  -2.228   0.802
   36   1HB   GLU   6          1HB       GLU   6  15.876  -0.075   2.831
   37   2HB   GLU   6          2HB       GLU   6  14.821  -1.360   3.337
   38   1HG   GLU   6          1HG       GLU   6  16.754  -3.038   2.682
   39   2HG   GLU   6          2HG       GLU   6  17.788  -1.635   2.493
   40    H    LEU   7           H        LEU   7  13.429   0.734   1.153
   41    HA   LEU   7           HA       LEU   7  10.825  -0.657   0.923
   42   1HB   LEU   7          1HB       LEU   7  11.669   2.184   0.134
   43   2HB   LEU   7          2HB       LEU   7  10.019   1.619   0.034
   44    HG   LEU   7           HG       LEU   7  11.176   2.908   2.227
   45   1HD1  LEU   7          1HD1      LEU   7   8.758   2.844   1.646
   46   2HD1  LEU   7          2HD1      LEU   7   8.633   1.145   2.168
   47   3HD1  LEU   7          3HD1      LEU   7   8.990   2.430   3.351
   48   1HD2  LEU   7          1HD2      LEU   7  10.892  -0.101   2.961
   49   2HD2  LEU   7          2HD2      LEU   7  12.378   0.884   3.045
   50   3HD2  LEU   7          3HD2      LEU   7  11.035   1.234   4.136
   51    H    ALA   8           H        ALA   8  13.253   0.116  -1.528
   52    HA   ALA   8           HA       ALA   8  11.786  -0.732  -3.862
   53   1HB   ALA   8          1HB       ALA   8  14.792  -1.004  -3.178
   54   2HB   ALA   8          2HB       ALA   8  14.097  -1.150  -4.805
   55   3HB   ALA   8          3HB       ALA   8  13.989   0.389  -3.941
   56    H    ASN   9           H        ASN   9  14.320  -3.014  -2.715
   57    HA   ASN   9           HA       ASN   9  13.341  -5.541  -2.996
   58   1HB   ASN   9          1HB       ASN   9  14.303  -4.426  -0.269
   59   2HB   ASN   9          2HB       ASN   9  14.177  -6.124  -0.637
   60   1HD2  ASN   9          1HD2      ASN   9  17.192  -6.110  -2.583
   61   2HD2  ASN   9          2HD2      ASN   9  15.635  -7.001  -2.271
   62    H    ALA  10           H        ALA  10  11.984  -3.523  -0.365
   63    HA   ALA  10           HA       ALA  10   9.974  -5.504   0.545
   64   1HB   ALA  10          1HB       ALA  10  11.004  -3.737   1.990
   65   2HB   ALA  10          2HB       ALA  10  10.179  -2.456   1.064
   66   3HB   ALA  10          3HB       ALA  10   9.233  -3.622   2.015
   67    H    PHE  11           H        PHE  11   9.607  -2.578  -1.517
   68    HA   PHE  11           HA       PHE  11   6.812  -2.889  -2.196
   69   1HB   PHE  11          1HB       PHE  11   8.157  -0.850  -2.628
   70   2HB   PHE  11          2HB       PHE  11   9.116  -1.675  -3.810
   71    HD1  PHE  11           HD1      PHE  11   5.381  -1.029  -3.303
   72    HD2  PHE  11           HD2      PHE  11   8.680  -1.222  -6.058
   73    HE1  PHE  11           HE1      PHE  11   3.933  -0.196  -5.114
   74    HE2  PHE  11           HE2      PHE  11   7.215  -0.395  -7.854
   75    HZ   PHE  11           HZ       PHE  11   4.850   0.115  -7.392
   76    H    ARG  12           H        ARG  12   9.620  -4.281  -3.912
   77    HA   ARG  12           HA       ARG  12   8.047  -5.806  -5.867
   78   1HB   ARG  12          1HB       ARG  12  10.439  -5.169  -6.191
   79   2HB   ARG  12          2HB       ARG  12  10.938  -6.263  -4.906
   80   1HG   ARG  12          1HG       ARG  12   9.271  -7.657  -6.963
   81   2HG   ARG  12          2HG       ARG  12  10.669  -6.867  -7.703
   82   1HD   ARG  12          1HD       ARG  12  12.095  -8.013  -5.768
   83   2HD   ARG  12          2HD       ARG  12  10.657  -9.041  -5.522
   84    HE   ARG  12           HE       ARG  12  10.863  -9.407  -8.206
   85   1HH1  ARG  12          2HH1      ARG  12  13.532  -9.207  -6.006
   86   2HH1  ARG  12          1HH1      ARG  12  14.581 -10.278  -7.054
   87   1HH2  ARG  12          1HH2      ARG  12  12.048 -10.600  -9.363
   88   2HH2  ARG  12          2HH2      ARG  12  13.752 -11.033  -8.874
   89    H    ILE  13           H        ILE  13   9.229  -6.661  -2.644
   90    HA   ILE  13           HA       ILE  13   8.746  -9.589  -2.948
   91    HB   ILE  13           HB       ILE  13   9.686  -7.877  -0.596
   92   1HG1  ILE  13          1HG1      ILE  13  11.401  -8.326  -2.414
   93   2HG1  ILE  13          2HG1      ILE  13  11.861  -8.923  -0.843
   94   1HG2  ILE  13          1HG2      ILE  13   8.390  -9.797   0.411
   95   2HG2  ILE  13          2HG2      ILE  13   9.320 -10.965  -0.559
   96   3HG2  ILE  13          3HG2      ILE  13  10.103 -10.015   0.719
   97   1HD1  ILE  13          1HD1      ILE  13  11.227 -11.284  -1.443
   98   2HD1  ILE  13          2HD1      ILE  13  10.805 -10.746  -3.087
   99   3HD1  ILE  13          3HD1      ILE  13  12.478 -10.609  -2.511
  100    H    PHE  14           H        PHE  14   7.032  -6.906  -1.466
  101    HA   PHE  14           HA       PHE  14   4.684  -8.235  -0.248
  102   1HB   PHE  14          1HB       PHE  14   5.121  -5.566  -1.713
  103   2HB   PHE  14          2HB       PHE  14   3.514  -6.078  -1.315
  104    HD1  PHE  14           HD1      PHE  14   5.694  -7.301   1.251
  105    HD2  PHE  14           HD2      PHE  14   3.727  -3.723  -0.083
  106    HE1  PHE  14           HE1      PHE  14   5.942  -6.321   3.498
  107    HE2  PHE  14           HE2      PHE  14   3.999  -2.740   2.159
  108    HZ   PHE  14           HZ       PHE  14   5.132  -4.018   3.944
  109    H    ASP  15           H        ASP  15   5.059  -6.963  -3.584
  110    HA   ASP  15           HA       ASP  15   2.485  -7.952  -4.459
  111   1HB   ASP  15          1HB       ASP  15   3.616  -5.940  -5.373
  112   2HB   ASP  15          2HB       ASP  15   4.886  -6.915  -6.095
  113    H    LYS  16           H        LYS  16   1.860  -9.531  -6.042
  114    HA   LYS  16           HA       LYS  16   3.163 -12.149  -5.286
  115   1HB   LYS  16          1HB       LYS  16   0.929 -12.686  -7.003
  116   2HB   LYS  16          2HB       LYS  16   1.076 -13.004  -5.298
  117   1HG   LYS  16          1HG       LYS  16   0.376 -10.170  -5.617
  118   2HG   LYS  16          2HG       LYS  16  -0.608 -11.079  -6.757
  119   1HD   LYS  16          1HD       LYS  16  -0.850 -12.645  -4.421
  120   2HD   LYS  16          2HD       LYS  16  -0.700 -11.014  -3.772
  121   1HE   LYS  16          1HE       LYS  16  -2.912 -10.722  -4.028
  122   2HE   LYS  16          2HE       LYS  16  -2.637 -10.584  -5.777
  123   1HZ   LYS  16          1HZ       LYS  16  -2.576 -13.304  -5.519
  124   2HZ   LYS  16          2HZ       LYS  16  -3.467 -12.992  -4.193
  125   3HZ   LYS  16          3HZ       LYS  16  -4.041 -12.555  -5.669
  126    H    ASN  17           H        ASN  17   1.908 -10.726  -8.331
  127    HA   ASN  17           HA       ASN  17   3.600 -12.596  -9.929
  128   1HB   ASN  17          1HB       ASN  17   2.205 -11.730 -11.884
  129   2HB   ASN  17          2HB       ASN  17   1.347 -12.557 -10.612
  130   1HD2  ASN  17          1HD2      ASN  17  -0.529  -9.564  -9.815
  131   2HD2  ASN  17          2HD2      ASN  17   0.021 -11.129  -9.132
  132    H    ALA  18           H        ALA  18   3.600  -9.150  -9.349
  133    HA   ALA  18           HA       ALA  18   5.426  -7.603  -9.547
  134   1HB   ALA  18          1HB       ALA  18   6.695  -9.708  -8.976
  135   2HB   ALA  18          2HB       ALA  18   6.831 -10.089 -10.707
  136   3HB   ALA  18          3HB       ALA  18   7.637  -8.649 -10.061
  137    H    ASP  19           H        ASP  19   3.561  -7.386 -11.665
  138    HA   ASP  19           HA       ASP  19   5.269  -6.227 -13.890
  139   1HB   ASP  19          1HB       ASP  19   3.229  -5.611 -14.956
  140   2HB   ASP  19          2HB       ASP  19   2.859  -7.152 -14.195
  141    H    GLY  20           H        GLY  20   4.996  -5.442 -10.733
  142   1HA   GLY  20          1HA       GLY  20   6.398  -3.651  -9.827
  143   2HA   GLY  20          2HA       GLY  20   6.215  -2.766 -11.347
  144    H    TYR  21           H        TYR  21   3.143  -3.577 -10.304
  145    HA   TYR  21           HA       TYR  21   2.725  -0.904  -8.824
  146   1HB   TYR  21          1HB       TYR  21   0.544  -2.541 -10.260
  147   2HB   TYR  21          2HB       TYR  21   0.361  -0.977  -9.518
  148    HD1  TYR  21           HD1      TYR  21   3.431  -1.553 -11.557
  149    HD2  TYR  21           HD2      TYR  21  -0.615  -0.096 -11.593
  150    HE1  TYR  21           HE1      TYR  21   3.819  -0.469 -13.745
  151    HE2  TYR  21           HE2      TYR  21  -0.207   0.957 -13.780
  152    HH   TYR  21           HH       TYR  21   1.687   0.379 -15.787
  153    H    ILE  22           H        ILE  22   1.277  -0.872  -7.040
  154    HA   ILE  22           HA       ILE  22   0.497  -3.545  -5.750
  155    HB   ILE  22           HB       ILE  22   0.089  -0.823  -4.430
  156   1HG1  ILE  22          1HG1      ILE  22   2.557  -0.969  -4.873
  157   2HG1  ILE  22          2HG1      ILE  22   2.184  -1.018  -3.172
  158   1HG2  ILE  22          1HG2      ILE  22  -1.153  -2.777  -3.397
  159   2HG2  ILE  22          2HG2      ILE  22   0.368  -3.669  -3.208
  160   3HG2  ILE  22          3HG2      ILE  22   0.064  -2.175  -2.285
  161   1HD1  ILE  22          1HD1      ILE  22   2.449  -3.552  -3.130
  162   2HD1  ILE  22          2HD1      ILE  22   3.025  -3.474  -4.815
  163   3HD1  ILE  22          3HD1      ILE  22   3.933  -2.651  -3.530
  164    H    ASP  23           H        ASP  23  -1.435  -4.311  -6.111
  165    HA   ASP  23           HA       ASP  23  -3.702  -2.521  -7.110
  166   1HB   ASP  23          1HB       ASP  23  -4.704  -4.544  -8.056
  167   2HB   ASP  23          2HB       ASP  23  -3.011  -4.486  -8.528
  168    H    ILE  24           H        ILE  24  -5.939  -3.264  -6.410
  169    HA   ILE  24           HA       ILE  24  -6.203  -2.741  -3.459
  170    HB   ILE  24           HB       ILE  24  -7.852  -2.052  -5.440
  171   1HG1  ILE  24          1HG1      ILE  24  -8.429  -1.099  -3.349
  172   2HG1  ILE  24          2HG1      ILE  24  -9.847  -2.032  -3.745
  173   1HG2  ILE  24          1HG2      ILE  24  -8.497  -4.400  -6.155
  174   2HG2  ILE  24          2HG2      ILE  24  -9.143  -4.730  -4.536
  175   3HG2  ILE  24          3HG2      ILE  24  -9.910  -3.521  -5.597
  176   1HD1  ILE  24          1HD1      ILE  24  -9.067  -3.944  -2.254
  177   2HD1  ILE  24          2HD1      ILE  24  -7.735  -2.905  -1.690
  178   3HD1  ILE  24          3HD1      ILE  24  -9.419  -2.423  -1.392
  179    H    GLU  25           H        GLU  25  -6.117  -5.544  -5.530
  180    HA   GLU  25           HA       GLU  25  -7.375  -7.436  -3.572
  181   1HB   GLU  25          1HB       GLU  25  -5.902  -8.575  -5.904
  182   2HB   GLU  25          2HB       GLU  25  -7.432  -9.023  -5.216
  183   1HG   GLU  25          1HG       GLU  25  -7.575  -6.336  -6.554
  184   2HG   GLU  25          2HG       GLU  25  -7.031  -7.592  -7.650
  185    H    GLU  26           H        GLU  26  -4.138  -6.412  -4.272
  186    HA   GLU  26           HA       GLU  26  -2.685  -8.597  -2.820
  187   1HB   GLU  26          1HB       GLU  26  -0.742  -7.599  -3.382
  188   2HB   GLU  26          2HB       GLU  26  -1.749  -7.013  -4.672
  189   1HG   GLU  26          1HG       GLU  26  -0.679  -4.998  -4.140
  190   2HG   GLU  26          2HG       GLU  26  -2.011  -4.829  -3.011
  191    H    LEU  27           H        LEU  27  -3.768  -5.325  -1.991
  192    HA   LEU  27           HA       LEU  27  -2.401  -4.882   0.473
  193   1HB   LEU  27          1HB       LEU  27  -3.610  -3.141  -0.749
  194   2HB   LEU  27          2HB       LEU  27  -5.156  -3.886  -0.438
  195    HG   LEU  27           HG       LEU  27  -4.796  -1.858   0.975
  196   1HD1  LEU  27          1HD1      LEU  27  -6.330  -3.660   1.771
  197   2HD1  LEU  27          2HD1      LEU  27  -4.995  -4.458   2.649
  198   3HD1  LEU  27          3HD1      LEU  27  -5.560  -2.830   3.121
  199   1HD2  LEU  27          1HD2      LEU  27  -2.545  -3.475   2.386
  200   2HD2  LEU  27          2HD2      LEU  27  -2.318  -2.012   1.382
  201   3HD2  LEU  27          3HD2      LEU  27  -3.205  -1.900   2.906
  202    H    GLY  28           H        GLY  28  -5.766  -6.100   0.325
  203   1HA   GLY  28          1HA       GLY  28  -6.360  -6.702   3.099
  204   2HA   GLY  28          2HA       GLY  28  -6.947  -7.662   1.736
  205    H    GLU  29           H        GLU  29  -4.583  -8.769   0.772
  206    HA   GLU  29           HA       GLU  29  -4.085 -10.921   2.727
  207   1HB   GLU  29          1HB       GLU  29  -2.989 -10.466  -0.079
  208   2HB   GLU  29          2HB       GLU  29  -2.560 -11.855   0.872
  209   1HG   GLU  29          1HG       GLU  29  -5.362 -12.049   0.972
  210   2HG   GLU  29          2HG       GLU  29  -5.153 -11.267  -0.584
  211    H    ILE  30           H        ILE  30  -2.144  -8.181   1.742
  212    HA   ILE  30           HA       ILE  30   0.323  -8.724   3.326
  213    HB   ILE  30           HB       ILE  30  -1.013  -6.130   2.423
  214   1HG1  ILE  30          1HG1      ILE  30   1.560  -7.585   1.558
  215   2HG1  ILE  30          2HG1      ILE  30   0.184  -7.161   0.576
  216   1HG2  ILE  30          1HG2      ILE  30   0.069  -5.630   4.645
  217   2HG2  ILE  30          2HG2      ILE  30   1.607  -6.327   4.074
  218   3HG2  ILE  30          3HG2      ILE  30   0.947  -4.838   3.341
  219   1HD1  ILE  30          1HD1      ILE  30   2.131  -5.027   1.678
  220   2HD1  ILE  30          2HD1      ILE  30   2.056  -5.672   0.024
  221   3HD1  ILE  30          3HD1      ILE  30   0.693  -4.732   0.666
  222    H    LEU  31           H        LEU  31  -2.642  -6.865   4.166
  223    HA   LEU  31           HA       LEU  31  -1.867  -6.436   7.035
  224   1HB   LEU  31          1HB       LEU  31  -4.750  -6.253   6.173
  225   2HB   LEU  31          2HB       LEU  31  -3.857  -5.243   7.284
  226    HG   LEU  31           HG       LEU  31  -4.112  -5.011   4.278
  227   1HD1  LEU  31          1HD1      LEU  31  -4.053  -2.982   6.613
  228   2HD1  LEU  31          2HD1      LEU  31  -4.290  -2.570   4.894
  229   3HD1  LEU  31          3HD1      LEU  31  -5.481  -3.578   5.722
  230   1HD2  LEU  31          1HD2      LEU  31  -1.632  -3.970   5.828
  231   2HD2  LEU  31          2HD2      LEU  31  -1.633  -5.107   4.451
  232   3HD2  LEU  31          3HD2      LEU  31  -2.117  -3.427   4.200
  233    H    ARG  32           H        ARG  32  -3.320  -9.102   5.318
  234    HA   ARG  32           HA       ARG  32  -3.955 -10.581   7.850
  235   1HB   ARG  32          1HB       ARG  32  -4.003 -11.049   4.840
  236   2HB   ARG  32          2HB       ARG  32  -4.125 -12.458   5.892
  237   1HG   ARG  32          1HG       ARG  32  -5.972  -9.968   6.058
  238   2HG   ARG  32          2HG       ARG  32  -6.330 -11.403   5.079
  239   1HD   ARG  32          1HD       ARG  32  -6.154 -12.846   7.220
  240   2HD   ARG  32          2HD       ARG  32  -5.975 -11.350   8.164
  241    HE   ARG  32           HE       ARG  32  -8.318 -10.790   7.731
  242   1HH1  ARG  32          2HH1      ARG  32  -7.438 -13.553   5.817
  243   2HH1  ARG  32          1HH1      ARG  32  -9.183 -13.928   5.422
  244   1HH2  ARG  32          1HH2      ARG  32 -10.270 -11.248   7.271
  245   2HH2  ARG  32          2HH2      ARG  32 -10.692 -12.680   6.223
  246    H    ALA  33           H        ALA  33  -1.444 -10.972   5.324
  247    HA   ALA  33           HA       ALA  33  -0.331 -13.396   6.029
  248   1HB   ALA  33          1HB       ALA  33   0.297 -12.067   4.018
  249   2HB   ALA  33          2HB       ALA  33   1.267 -10.950   5.017
  250   3HB   ALA  33          3HB       ALA  33   1.749 -12.652   4.848
  251    H    THR  34           H        THR  34   1.276 -10.428   7.235
  252    HA   THR  34           HA       THR  34   3.073 -12.096   8.966
  253    HB   THR  34           HB       THR  34   3.375  -9.084   8.894
  254    HG1  THR  34           HG1      THR  34   3.775 -10.835   6.703
  255   1HG2  THR  34          2HG2      THR  34   5.044 -10.688  10.036
  256   2HG2  THR  34          3HG2      THR  34   5.392 -11.395   8.436
  257   3HG2  THR  34          1HG2      THR  34   5.789  -9.698   8.755
  258    H    GLY  35           H        GLY  35   0.484 -12.120  10.008
  259   1HA   GLY  35          1HA       GLY  35  -0.264 -11.943  12.394
  260   2HA   GLY  35          2HA       GLY  35   0.621 -10.420  12.538
  261   1HN   NH2  36          1HN       NH2  36  -0.296  -8.434  11.376
  262   2HN   NH2  36          2HN       NH2  36  -2.073  -8.296  11.280
  263   1H    ACE  37          1HH3      ACE  37 -11.400  -3.762  14.320
  264   2H    ACE  37          2HH3      ACE  37  -9.615  -3.570  14.390
  265   3H    ACE  37          3HH3      ACE  37 -10.680  -2.168  14.672
  266    H    VAL  38           H        VAL  38  -9.549  -4.424  12.171
  267    HA   VAL  38           HA       VAL  38 -10.148  -2.516   9.946
  268    HB   VAL  38           HB       VAL  38  -9.384  -4.624   8.519
  269   1HG1  VAL  38          1HG1      VAL  38  -7.434  -3.007  10.318
  270   2HG1  VAL  38          2HG1      VAL  38  -6.928  -3.973   8.913
  271   3HG1  VAL  38          3HG1      VAL  38  -7.979  -2.571   8.688
  272   1HG2  VAL  38          1HG2      VAL  38  -9.381  -6.331  10.391
  273   2HG2  VAL  38          2HG2      VAL  38  -7.741  -6.101   9.747
  274   3HG2  VAL  38          3HG2      VAL  38  -8.205  -5.348  11.292
  275    H    THR  39           H        THR  39 -12.303  -2.208   9.788
  276    HA   THR  39           HA       THR  39 -14.092  -4.497   8.818
  277    HB   THR  39           HB       THR  39 -15.789  -2.516   8.459
  278    HG1  THR  39           HG1      THR  39 -14.889  -0.708   8.990
  279   1HG2  THR  39          2HG2      THR  39 -14.972  -3.435  11.306
  280   2HG2  THR  39          3HG2      THR  39 -16.545  -2.728  10.864
  281   3HG2  THR  39          1HG2      THR  39 -16.064  -4.304  10.202
  282    H    GLU  40           H        GLU  40 -15.172  -4.063   6.683
  283    HA   GLU  40           HA       GLU  40 -13.078  -3.739   4.567
  284   1HB   GLU  40          1HB       GLU  40 -14.862  -5.507   4.532
  285   2HB   GLU  40          2HB       GLU  40 -16.067  -4.292   4.230
  286   1HG   GLU  40          1HG       GLU  40 -14.961  -3.742   1.989
  287   2HG   GLU  40          2HG       GLU  40 -13.723  -4.945   2.298
  288    H    GLU  41           H        GLU  41 -15.795  -1.748   5.695
  289    HA   GLU  41           HA       GLU  41 -15.577   0.388   3.811
  290   1HB   GLU  41          1HB       GLU  41 -17.258  -0.106   5.795
  291   2HB   GLU  41          2HB       GLU  41 -16.267   0.993   6.705
  292   1HG   GLU  41          1HG       GLU  41 -16.978   2.907   5.459
  293   2HG   GLU  41          2HG       GLU  41 -17.299   1.996   3.995
  294    H    ASP  42           H        ASP  42 -13.588  -0.020   6.712
  295    HA   ASP  42           HA       ASP  42 -12.135   2.585   6.577
  296   1HB   ASP  42          1HB       ASP  42 -11.772  -0.049   8.089
  297   2HB   ASP  42          2HB       ASP  42 -10.451   1.110   8.067
  298    H    ILE  43           H        ILE  43 -11.519  -0.654   5.250
  299    HA   ILE  43           HA       ILE  43  -8.794  -0.061   4.135
  300    HB   ILE  43           HB       ILE  43 -10.761  -2.336   3.563
  301   1HG1  ILE  43          1HG1      ILE  43  -8.140  -3.235   4.540
  302   2HG1  ILE  43          2HG1      ILE  43  -8.731  -2.010   5.629
  303   1HG2  ILE  43          1HG2      ILE  43  -9.415  -1.948   1.461
  304   2HG2  ILE  43          2HG2      ILE  43  -7.902  -2.001   2.388
  305   3HG2  ILE  43          3HG2      ILE  43  -8.916  -3.455   2.213
  306   1HD1  ILE  43          1HD1      ILE  43 -10.915  -3.245   5.960
  307   2HD1  ILE  43          2HD1      ILE  43 -10.281  -4.589   4.975
  308   3HD1  ILE  43          3HD1      ILE  43  -9.481  -4.148   6.499
  309    H    GLU  44           H        GLU  44 -12.127   0.107   2.949
  310    HA   GLU  44           HA       GLU  44 -11.347   0.904   0.162
  311   1HB   GLU  44          1HB       GLU  44 -13.861   0.158   1.542
  312   2HB   GLU  44          2HB       GLU  44 -14.088   1.428   0.378
  313   1HG   GLU  44          1HG       GLU  44 -12.486  -0.865  -0.746
  314   2HG   GLU  44          2HG       GLU  44 -14.071  -1.357  -0.178
  315    H    ASP  45           H        ASP  45 -12.383   2.597   3.058
  316    HA   ASP  45           HA       ASP  45 -12.569   5.315   1.784
  317   1HB   ASP  45          1HB       ASP  45 -12.766   4.249   4.652
  318   2HB   ASP  45          2HB       ASP  45 -12.621   5.977   4.368
  319    H    LEU  46           H        LEU  46 -10.067   3.521   3.565
  320    HA   LEU  46           HA       LEU  46  -7.956   5.599   3.238
  321   1HB   LEU  46          1HB       LEU  46  -7.926   3.739   4.909
  322   2HB   LEU  46          2HB       LEU  46  -7.720   2.556   3.638
  323    HG   LEU  46           HG       LEU  46  -5.572   4.626   3.527
  324   1HD1  LEU  46          1HD1      LEU  46  -6.113   3.174   6.157
  325   2HD1  LEU  46          2HD1      LEU  46  -4.453   3.552   5.674
  326   3HD1  LEU  46          3HD1      LEU  46  -5.633   4.877   5.902
  327   1HD2  LEU  46          1HD2      LEU  46  -5.684   2.153   2.514
  328   2HD2  LEU  46          2HD2      LEU  46  -4.156   2.810   3.106
  329   3HD2  LEU  46          3HD2      LEU  46  -5.075   1.661   4.122
  330    H    MET  47           H        MET  47  -8.368   2.593   1.272
  331    HA   MET  47           HA       MET  47  -6.877   3.682  -1.012
  332   1HB   MET  47          1HB       MET  47  -8.094   1.189  -0.316
  333   2HB   MET  47          2HB       MET  47  -8.884   1.676  -1.806
  334   1HG   MET  47          1HG       MET  47  -5.826   1.818  -1.712
  335   2HG   MET  47          2HG       MET  47  -6.636   0.257  -1.937
  336   1HE   MET  47          1HE       MET  47  -4.648   1.364  -3.943
  337   2HE   MET  47          2HE       MET  47  -5.578  -0.125  -4.278
  338   3HE   MET  47          3HE       MET  47  -5.467   1.148  -5.528
  339    H    LYS  48           H        LYS  48  -9.729   4.961   0.110
  340    HA   LYS  48           HA       LYS  48 -10.000   6.354  -2.605
  341   1HB   LYS  48          1HB       LYS  48 -12.005   5.642  -0.427
  342   2HB   LYS  48          2HB       LYS  48 -12.380   6.987  -1.460
  343   1HG   LYS  48          1HG       LYS  48 -12.408   5.466  -3.486
  344   2HG   LYS  48          2HG       LYS  48 -11.685   4.177  -2.576
  345   1HD   LYS  48          1HD       LYS  48 -13.667   3.324  -2.004
  346   2HD   LYS  48          2HD       LYS  48 -14.084   4.721  -1.068
  347   1HE   LYS  48          1HE       LYS  48 -14.889   5.744  -3.472
  348   2HE   LYS  48          2HE       LYS  48 -14.799   4.074  -4.004
  349   1HZ   LYS  48          1HZ       LYS  48 -16.254   4.320  -1.433
  350   2HZ   LYS  48          2HZ       LYS  48 -17.034   5.012  -2.720
  351   3HZ   LYS  48          3HZ       LYS  48 -16.597   3.439  -2.704
  352    H    ASP  49           H        ASP  49  -9.036   6.750   0.667
  353    HA   ASP  49           HA       ASP  49  -9.041   9.769   0.693
  354   1HB   ASP  49          1HB       ASP  49  -8.955   8.336   2.810
  355   2HB   ASP  49          2HB       ASP  49  -7.319   7.849   2.387
  356    H    SER  50           H        SER  50  -6.655   7.244  -0.125
  357    HA   SER  50           HA       SER  50  -4.756   9.334  -1.206
  358   1HB   SER  50          1HB       SER  50  -4.537   6.489  -0.177
  359   2HB   SER  50          2HB       SER  50  -3.353   6.949  -1.396
  360    HG   SER  50           HG       SER  50  -2.429   8.259  -0.039
  361    H    ASP  51           H        ASP  51  -6.646   6.611  -2.437
  362    HA   ASP  51           HA       ASP  51  -5.547   6.697  -5.180
  363   1HB   ASP  51          1HB       ASP  51  -6.732   4.752  -3.778
  364   2HB   ASP  51          2HB       ASP  51  -8.223   5.386  -4.461
  365    H    LYS  52           H        LYS  52  -6.242   9.317  -4.668
  366    HA   LYS  52           HA       LYS  52  -9.050  10.097  -5.401
  367   1HB   LYS  52          1HB       LYS  52  -8.071  12.405  -5.452
  368   2HB   LYS  52          2HB       LYS  52  -7.920  11.605  -3.918
  369   1HG   LYS  52          1HG       LYS  52  -5.421  11.009  -5.241
  370   2HG   LYS  52          2HG       LYS  52  -5.816  12.587  -5.846
  371   1HD   LYS  52          1HD       LYS  52  -6.307  13.122  -3.211
  372   2HD   LYS  52          2HD       LYS  52  -5.150  11.861  -2.943
  373   1HE   LYS  52          1HE       LYS  52  -3.642  13.683  -3.053
  374   2HE   LYS  52          2HE       LYS  52  -3.683  13.322  -4.778
  375   1HZ   LYS  52          1HZ       LYS  52  -5.919  15.111  -3.994
  376   2HZ   LYS  52          2HZ       LYS  52  -4.447  15.757  -3.710
  377   3HZ   LYS  52          3HZ       LYS  52  -4.800  15.334  -5.195
  378    H    ASN  53           H        ASN  53  -6.078   9.407  -7.109
  379    HA   ASN  53           HA       ASN  53  -6.404  10.674  -9.606
  380   1HB   ASN  53          1HB       ASN  53  -4.905   8.943 -10.553
  381   2HB   ASN  53          2HB       ASN  53  -4.403   9.319  -8.929
  382   1HD2  ASN  53          1HD2      ASN  53  -5.648   5.537  -9.744
  383   2HD2  ASN  53          2HD2      ASN  53  -5.895   6.871 -10.958
  384    H    ASN  54           H        ASN  54  -8.395   8.099  -8.460
  385    HA   ASN  54           HA       ASN  54 -10.025   6.644  -9.446
  386   1HB   ASN  54          1HB       ASN  54 -10.490   9.273 -11.002
  387   2HB   ASN  54          2HB       ASN  54 -11.458   7.860 -11.319
  388   1HD2  ASN  54          1HD2      ASN  54 -12.992   8.117  -7.970
  389   2HD2  ASN  54          2HD2      ASN  54 -12.235   6.837  -9.020
  390    H    ASP  55           H        ASP  55  -7.885   5.527 -10.248
  391    HA   ASP  55           HA       ASP  55  -9.032   4.476 -12.876
  392   1HB   ASP  55          1HB       ASP  55  -6.918   5.630 -13.446
  393   2HB   ASP  55          2HB       ASP  55  -6.027   4.734 -12.224
  394    H    GLY  56           H        GLY  56  -7.403   3.715  -9.833
  395   1HA   GLY  56          1HA       GLY  56  -8.696   1.646  -8.755
  396   2HA   GLY  56          2HA       GLY  56  -8.041   0.740 -10.128
  397    H    ARG  57           H        ARG  57  -5.438   2.430  -9.724
  398    HA   ARG  57           HA       ARG  57  -4.221   0.271  -7.910
  399   1HB   ARG  57          1HB       ARG  57  -2.986  -0.653  -9.686
  400   2HB   ARG  57          2HB       ARG  57  -4.564  -0.335 -10.405
  401   1HG   ARG  57          1HG       ARG  57  -3.557   1.930 -11.283
  402   2HG   ARG  57          2HG       ARG  57  -1.983   1.350 -10.741
  403   1HD   ARG  57          1HD       ARG  57  -2.253   0.835 -13.162
  404   2HD   ARG  57          2HD       ARG  57  -2.191  -0.670 -12.247
  405    HE   ARG  57           HE       ARG  57  -5.017   0.306 -12.444
  406   1HH1  ARG  57          2HH1      ARG  57  -2.673  -1.712 -14.005
  407   2HH1  ARG  57          1HH1      ARG  57  -3.992  -2.822 -14.654
  408   1HH2  ARG  57          1HH2      ARG  57  -6.415  -0.765 -13.376
  409   2HH2  ARG  57          2HH2      ARG  57  -6.027  -2.236 -14.397
  410    H    ILE  58           H        ILE  58  -2.032   0.451  -7.357
  411    HA   ILE  58           HA       ILE  58  -1.206   3.336  -6.859
  412    HB   ILE  58           HB       ILE  58  -0.827   0.781  -5.227
  413   1HG1  ILE  58          1HG1      ILE  58  -2.329   3.419  -4.635
  414   2HG1  ILE  58          2HG1      ILE  58  -3.055   1.871  -4.966
  415   1HG2  ILE  58          1HG2      ILE  58   1.311   2.118  -4.994
  416   2HG2  ILE  58          2HG2      ILE  58   0.381   3.558  -4.534
  417   3HG2  ILE  58          3HG2      ILE  58   0.411   2.123  -3.482
  418   1HD1  ILE  58          1HD1      ILE  58  -2.074   0.870  -2.852
  419   2HD1  ILE  58          2HD1      ILE  58  -1.434   2.477  -2.420
  420   3HD1  ILE  58          3HD1      ILE  58  -3.188   2.229  -2.562
  421    H    ASP  59           H        ASP  59   0.876   4.088  -7.180
  422    HA   ASP  59           HA       ASP  59   3.028   2.133  -8.138
  423   1HB   ASP  59          1HB       ASP  59   3.937   4.025  -9.464
  424   2HB   ASP  59          2HB       ASP  59   2.244   3.749  -9.847
  425    H    PHE  60           H        PHE  60   5.329   2.988  -7.781
  426    HA   PHE  60           HA       PHE  60   5.906   2.354  -5.028
  427   1HB   PHE  60          1HB       PHE  60   7.485   2.120  -7.005
  428   2HB   PHE  60          2HB       PHE  60   7.742   3.833  -7.010
  429    HD1  PHE  60           HD1      PHE  60   8.243   4.635  -4.218
  430    HD2  PHE  60           HD2      PHE  60   9.406   1.005  -6.198
  431    HE1  PHE  60           HE1      PHE  60  10.166   4.406  -2.688
  432    HE2  PHE  60           HE2      PHE  60  11.302   0.772  -4.660
  433    HZ   PHE  60           HZ       PHE  60  11.701   2.474  -2.907
  434    H    ASP  61           H        ASP  61   5.374   5.509  -6.430
  435    HA   ASP  61           HA       ASP  61   6.292   7.344  -4.297
  436   1HB   ASP  61          1HB       ASP  61   5.592   8.500  -6.249
  437   2HB   ASP  61          2HB       ASP  61   4.302   7.369  -6.612
  438    H    GLU  62           H        GLU  62   2.955   6.800  -5.027
  439    HA   GLU  62           HA       GLU  62   1.418   6.977  -2.658
  440   1HB   GLU  62          1HB       GLU  62   1.136   4.702  -4.670
  441   2HB   GLU  62          2HB       GLU  62  -0.085   5.218  -3.545
  442   1HG   GLU  62          1HG       GLU  62   0.994   7.160  -5.696
  443   2HG   GLU  62          2HG       GLU  62  -0.277   6.010  -6.066
  444    H    PHE  63           H        PHE  63   3.708   4.353  -3.306
  445    HA   PHE  63           HA       PHE  63   2.815   2.506  -1.102
  446   1HB   PHE  63          1HB       PHE  63   4.145   1.849  -3.190
  447   2HB   PHE  63          2HB       PHE  63   5.524   2.677  -2.554
  448    HD1  PHE  63           HD1      PHE  63   3.290  -0.265  -1.645
  449    HD2  PHE  63           HD2      PHE  63   7.146   1.608  -1.276
  450    HE1  PHE  63           HE1      PHE  63   4.142  -2.221  -0.412
  451    HE2  PHE  63           HE2      PHE  63   7.974  -0.345  -0.062
  452    HZ   PHE  63           HZ       PHE  63   6.469  -2.241   0.427
  453    H    LEU  64           H        LEU  64   5.616   4.705  -1.424
  454    HA   LEU  64           HA       LEU  64   6.455   4.892   1.326
  455   1HB   LEU  64          1HB       LEU  64   6.513   6.985  -0.905
  456   2HB   LEU  64          2HB       LEU  64   7.235   7.298   0.653
  457    HG   LEU  64           HG       LEU  64   8.073   4.831  -0.969
  458   1HD1  LEU  64          1HD1      LEU  64   9.135   7.723  -1.300
  459   2HD1  LEU  64          2HD1      LEU  64   9.942   6.262  -1.932
  460   3HD1  LEU  64          3HD1      LEU  64   8.335   6.696  -2.521
  461   1HD2  LEU  64          1HD2      LEU  64   9.537   6.546   1.171
  462   2HD2  LEU  64          2HD2      LEU  64   8.954   4.866   1.357
  463   3HD2  LEU  64          3HD2      LEU  64  10.284   5.219   0.246
  464    H    LYS  65           H        LYS  65   4.125   7.176  -0.200
  465    HA   LYS  65           HA       LYS  65   3.189   8.545   2.139
  466   1HB   LYS  65          1HB       LYS  65   1.718   7.656  -0.409
  467   2HB   LYS  65          2HB       LYS  65   1.115   8.913   0.653
  468   1HG   LYS  65          1HG       LYS  65   3.439   8.933  -1.344
  469   2HG   LYS  65          2HG       LYS  65   2.118  10.099  -1.144
  470   1HD   LYS  65          1HD       LYS  65   3.283  10.313   1.340
  471   2HD   LYS  65          2HD       LYS  65   4.733   9.907   0.415
  472   1HE   LYS  65          1HE       LYS  65   4.269  12.434   0.790
  473   2HE   LYS  65          2HE       LYS  65   4.530  11.968  -0.901
  474   1HZ   LYS  65          1HZ       LYS  65   1.944  11.675  -1.024
  475   2HZ   LYS  65          2HZ       LYS  65   1.808  12.439   0.384
  476   3HZ   LYS  65          3HZ       LYS  65   2.421  13.230  -0.927
  477    H    MET  66           H        MET  66   2.095   5.390   0.901
  478    HA   MET  66           HA       MET  66  -0.099   5.017   2.774
  479   1HB   MET  66          1HB       MET  66   0.427   3.904   0.437
  480   2HB   MET  66          2HB       MET  66   1.357   2.731   1.345
  481   1HG   MET  66          1HG       MET  66  -0.650   2.020   2.662
  482   2HG   MET  66          2HG       MET  66  -1.655   3.222   1.830
  483   1HE   MET  66          1HE       MET  66   0.713   0.100   1.394
  484   2HE   MET  66          2HE       MET  66   0.593  -0.207  -0.364
  485   3HE   MET  66          3HE       MET  66   1.375   1.289   0.230
  486    H    MET  67           H        MET  67   3.186   3.616   2.904
  487    HA   MET  67           HA       MET  67   2.667   2.114   5.515
  488   1HB   MET  67          1HB       MET  67   4.748   1.050   5.214
  489   2HB   MET  67          2HB       MET  67   4.170   1.221   3.569
  490   1HG   MET  67          1HG       MET  67   5.991   2.425   2.928
  491   2HG   MET  67          2HG       MET  67   5.760   3.615   4.222
  492   1HE   MET  67          1HE       MET  67   7.094   0.260   3.060
  493   2HE   MET  67          2HE       MET  67   8.232  -0.297   4.326
  494   3HE   MET  67          3HE       MET  67   6.468  -0.461   4.578
  495    H    GLU  68           H        GLU  68   4.016   5.191   4.386
  496    HA   GLU  68           HA       GLU  68   4.766   6.152   7.048
  497   1HB   GLU  68          1HB       GLU  68   5.400   7.238   4.915
  498   2HB   GLU  68          2HB       GLU  68   3.762   7.751   4.642
  499   1HG   GLU  68          1HG       GLU  68   3.892   9.527   6.224
  500   2HG   GLU  68          2HG       GLU  68   5.047   8.701   7.254
  501    H    GLY  69           H        GLY  69   1.731   7.029   5.378
  502   1HA   GLY  69          1HA       GLY  69  -0.477   6.229   6.181
  503   2HA   GLY  69          2HA       GLY  69   0.170   6.135   7.823
  504    H    VAL  70           H        VAL  70   0.481   8.216   8.999
  505    HA   VAL  70           HA       VAL  70  -1.555  10.301   8.639
  506    HB   VAL  70           HB       VAL  70   0.964  10.129  10.340
  507   1HG1  VAL  70          1HG1      VAL  70  -0.868  12.628  10.154
  508   2HG1  VAL  70          2HG1      VAL  70   0.350  12.347  11.424
  509   3HG1  VAL  70          3HG1      VAL  70   0.864  12.561   9.749
  510   1HG2  VAL  70          1HG2      VAL  70  -1.109   8.936  11.160
  511   2HG2  VAL  70          2HG2      VAL  70  -0.661  10.242  12.247
  512   3HG2  VAL  70          3HG2      VAL  70  -2.032  10.454  11.117
  513    H    GLN  71           H        GLN  71  -1.487  12.279   7.535
  514    HA   GLN  71           HA       GLN  71  -0.008  11.992   4.943
  515   1HB   GLN  71          1HB       GLN  71  -2.188  13.865   5.975
  516   2HB   GLN  71          2HB       GLN  71  -1.383  14.181   4.440
  517   1HG   GLN  71          1HG       GLN  71  -2.006  11.632   3.876
  518   2HG   GLN  71          2HG       GLN  71  -3.131  11.741   5.216
  519   1HE2  GLN  71          1HE2      GLN  71  -4.775  14.490   3.077
  520   2HE2  GLN  71          2HE2      GLN  71  -3.625  14.643   4.516
  521   1HN   NH2  72          1HN       NH2  72   1.718  13.234   4.130
  522   2HN   NH2  72          2HN       NH2  72   2.551  14.511   5.055
   
  No H/Q in entry =         522
  Start of MODEL   33
    1   1H    ACE   1          1HH3      ACE   1  21.557   8.454   1.211
    2   2H    ACE   1          2HH3      ACE   1  22.443   8.308   2.770
    3   3H    ACE   1          3HH3      ACE   1  23.094   7.564   1.282
    4    H    LYS   2           H        LYS   2  20.082   7.458   3.233
    5    HA   LYS   2           HA       LYS   2  19.258   4.971   1.770
    6   1HB   LYS   2          1HB       LYS   2  18.532   3.844   3.990
    7   2HB   LYS   2          2HB       LYS   2  20.196   3.660   3.479
    8   1HG   LYS   2          1HG       LYS   2  20.989   4.821   5.406
    9   2HG   LYS   2          2HG       LYS   2  19.751   6.045   5.288
   10   1HD   LYS   2          1HD       LYS   2  19.146   4.991   7.310
   11   2HD   LYS   2          2HD       LYS   2  18.080   4.140   6.189
   12   1HE   LYS   2          1HE       LYS   2  19.776   2.280   5.934
   13   2HE   LYS   2          2HE       LYS   2  20.861   3.062   7.098
   14   1HZ   LYS   2          1HZ       LYS   2  18.620   3.079   8.584
   15   2HZ   LYS   2          2HZ       LYS   2  18.112   1.896   7.693
   16   3HZ   LYS   2          3HZ       LYS   2  19.496   1.719   8.596
   17    H    SER   3           H        SER   3  17.760   6.688   0.957
   18    HA   SER   3           HA       SER   3  15.245   6.744   2.683
   19   1HB   SER   3          1HB       SER   3  15.747   8.125  -0.005
   20   2HB   SER   3          2HB       SER   3  14.474   8.496   1.134
   21    HG   SER   3           HG       SER   3  16.659   9.721   1.020
   22    H    GLU   4           H        GLU   4  16.503   4.489   0.597
   23    HA   GLU   4           HA       GLU   4  13.908   3.999  -0.905
   24   1HB   GLU   4          1HB       GLU   4  15.577   5.369  -2.332
   25   2HB   GLU   4          2HB       GLU   4  16.470   3.872  -2.442
   26   1HG   GLU   4          1HG       GLU   4  14.036   2.953  -3.393
   27   2HG   GLU   4          2HG       GLU   4  13.860   4.653  -3.814
   28    H    GLU   5           H        GLU   5  17.012   2.669   0.100
   29    HA   GLU   5           HA       GLU   5  16.901   0.146  -1.074
   30   1HB   GLU   5          1HB       GLU   5  18.851   1.131   0.076
   31   2HB   GLU   5          2HB       GLU   5  18.171   0.755   1.630
   32   1HG   GLU   5          1HG       GLU   5  18.387  -1.742   1.137
   33   2HG   GLU   5          2HG       GLU   5  19.022  -1.383  -0.458
   34    H    GLU   6           H        GLU   6  15.745   0.603   2.276
   35    HA   GLU   6           HA       GLU   6  14.783  -2.209   2.368
   36   1HB   GLU   6          1HB       GLU   6  14.458  -1.851   4.773
   37   2HB   GLU   6          2HB       GLU   6  16.060  -1.469   4.221
   38   1HG   GLU   6          1HG       GLU   6  14.404   1.010   4.308
   39   2HG   GLU   6          2HG       GLU   6  14.344   0.176   5.850
   40    H    LEU   7           H        LEU   7  13.089   0.910   2.282
   41    HA   LEU   7           HA       LEU   7  10.351  -0.227   2.235
   42   1HB   LEU   7          1HB       LEU   7  11.479   2.363   1.041
   43   2HB   LEU   7          2HB       LEU   7   9.780   1.959   1.012
   44    HG   LEU   7           HG       LEU   7  11.015   3.474   2.971
   45   1HD1  LEU   7          1HD1      LEU   7   8.582   3.415   2.457
   46   2HD1  LEU   7          2HD1      LEU   7   8.410   1.827   3.250
   47   3HD1  LEU   7          3HD1      LEU   7   8.845   3.271   4.201
   48   1HD2  LEU   7          1HD2      LEU   7  10.642   0.637   4.187
   49   2HD2  LEU   7          2HD2      LEU   7  12.165   1.562   4.081
   50   3HD2  LEU   7          3HD2      LEU   7  10.865   2.136   5.128
   51    H    ALA   8           H        ALA   8  12.565   0.582  -0.486
   52    HA   ALA   8           HA       ALA   8  11.141  -0.573  -2.648
   53   1HB   ALA   8          1HB       ALA   8  14.193  -0.543  -2.138
   54   2HB   ALA   8          2HB       ALA   8  13.423  -0.808  -3.715
   55   3HB   ALA   8          3HB       ALA   8  13.221   0.743  -2.891
   56    H    ASN   9           H        ASN   9  13.878  -2.563  -1.350
   57    HA   ASN   9           HA       ASN   9  13.164  -5.165  -1.673
   58   1HB   ASN   9          1HB       ASN   9  13.836  -4.036   1.135
   59   2HB   ASN   9          2HB       ASN   9  13.992  -5.706   0.664
   60   1HD2  ASN   9          1HD2      ASN   9  17.308  -3.977   0.326
   61   2HD2  ASN   9          2HD2      ASN   9  16.093  -4.165   1.668
   62    H    ALA  10           H        ALA  10  11.496  -3.306   0.891
   63    HA   ALA  10           HA       ALA  10   9.717  -5.489   1.734
   64   1HB   ALA  10          1HB       ALA  10  10.509  -3.610   3.184
   65   2HB   ALA  10          2HB       ALA  10   9.527  -2.442   2.263
   66   3HB   ALA  10          3HB       ALA  10   8.739  -3.724   3.208
   67    H    PHE  11           H        PHE  11   8.948  -2.579  -0.220
   68    HA   PHE  11           HA       PHE  11   6.174  -3.196  -0.802
   69   1HB   PHE  11          1HB       PHE  11   7.227  -0.961  -1.075
   70   2HB   PHE  11          2HB       PHE  11   8.207  -1.534  -2.382
   71    HD1  PHE  11           HD1      PHE  11   6.757  -2.672  -4.446
   72    HD2  PHE  11           HD2      PHE  11   5.301   0.338  -1.738
   73    HE1  PHE  11           HE1      PHE  11   5.065  -1.991  -6.098
   74    HE2  PHE  11           HE2      PHE  11   3.592   0.980  -3.392
   75    HZ   PHE  11           HZ       PHE  11   3.480  -0.179  -5.576
   76    H    ARG  12           H        ARG  12   9.045  -3.980  -2.764
   77    HA   ARG  12           HA       ARG  12   7.742  -5.646  -4.804
   78   1HB   ARG  12          1HB       ARG  12  10.566  -5.359  -3.737
   79   2HB   ARG  12          2HB       ARG  12  10.204  -6.813  -4.661
   80   1HG   ARG  12          1HG       ARG  12   9.084  -4.910  -6.348
   81   2HG   ARG  12          2HG       ARG  12  10.319  -3.905  -5.578
   82   1HD   ARG  12          1HD       ARG  12  11.063  -6.662  -6.738
   83   2HD   ARG  12          2HD       ARG  12  10.942  -5.229  -7.796
   84    HE   ARG  12           HE       ARG  12  12.527  -4.263  -5.653
   85   1HH1  ARG  12          2HH1      ARG  12  12.880  -6.982  -7.772
   86   2HH1  ARG  12          1HH1      ARG  12  14.703  -6.964  -7.625
   87   1HH2  ARG  12          1HH2      ARG  12  14.563  -4.248  -5.514
   88   2HH2  ARG  12          2HH2      ARG  12  15.601  -5.460  -6.399
   89    H    ILE  13           H        ILE  13   8.816  -6.401  -1.500
   90    HA   ILE  13           HA       ILE  13   8.557  -9.359  -1.792
   91    HB   ILE  13           HB       ILE  13   9.131  -7.546   0.598
   92   1HG1  ILE  13          1HG1      ILE  13  10.940  -8.396  -1.282
   93   2HG1  ILE  13          2HG1      ILE  13  11.357  -8.059   0.376
   94   1HG2  ILE  13          1HG2      ILE  13   7.804  -9.486   1.524
   95   2HG2  ILE  13          2HG2      ILE  13   8.885 -10.644   0.713
   96   3HG2  ILE  13          3HG2      ILE  13   9.478  -9.618   2.034
   97   1HD1  ILE  13          1HD1      ILE  13  11.169 -10.483   1.023
   98   2HD1  ILE  13          2HD1      ILE  13  10.805 -10.901  -0.669
   99   3HD1  ILE  13          3HD1      ILE  13  12.378 -10.197  -0.249
  100    H    PHE  14           H        PHE  14   6.505  -6.774  -0.610
  101    HA   PHE  14           HA       PHE  14   4.308  -8.374   0.655
  102   1HB   PHE  14          1HB       PHE  14   4.317  -5.577  -0.664
  103   2HB   PHE  14          2HB       PHE  14   2.926  -6.271   0.102
  104    HD1  PHE  14           HD1      PHE  14   4.910  -7.606   2.378
  105    HD2  PHE  14           HD2      PHE  14   4.085  -3.638   0.955
  106    HE1  PHE  14           HE1      PHE  14   5.593  -6.678   4.555
  107    HE2  PHE  14           HE2      PHE  14   4.791  -2.715   3.126
  108    HZ   PHE  14           HZ       PHE  14   5.575  -4.224   4.919
  109    H    ASP  15           H        ASP  15   4.770  -6.950  -2.599
  110    HA   ASP  15           HA       ASP  15   2.285  -7.963  -3.705
  111   1HB   ASP  15          1HB       ASP  15   3.461  -5.914  -4.482
  112   2HB   ASP  15          2HB       ASP  15   4.800  -6.861  -5.113
  113    H    LYS  16           H        LYS  16   1.689  -9.937  -4.297
  114    HA   LYS  16           HA       LYS  16   3.654 -12.205  -4.149
  115   1HB   LYS  16          1HB       LYS  16   1.756 -13.726  -4.323
  116   2HB   LYS  16          2HB       LYS  16   1.438 -12.529  -3.099
  117   1HG   LYS  16          1HG       LYS  16   0.262 -11.581  -5.625
  118   2HG   LYS  16          2HG       LYS  16  -0.108 -13.295  -5.478
  119   1HD   LYS  16          1HD       LYS  16  -1.155 -10.975  -3.885
  120   2HD   LYS  16          2HD       LYS  16  -1.923 -12.493  -4.347
  121   1HE   LYS  16          1HE       LYS  16  -1.847 -13.082  -2.167
  122   2HE   LYS  16          2HE       LYS  16  -0.148 -13.505  -2.464
  123   1HZ   LYS  16          1HZ       LYS  16  -0.737 -10.591  -1.907
  124   2HZ   LYS  16          2HZ       LYS  16  -0.748 -11.635  -0.626
  125   3HZ   LYS  16          3HZ       LYS  16   0.593 -11.482  -1.535
  126    H    ASN  17           H        ASN  17   1.920 -10.372  -6.602
  127    HA   ASN  17           HA       ASN  17   2.927 -12.064  -8.843
  128   1HB   ASN  17          1HB       ASN  17   1.598  -9.397  -9.381
  129   2HB   ASN  17          2HB       ASN  17   1.440 -10.909 -10.235
  130   1HD2  ASN  17          1HD2      ASN  17  -0.950 -11.697  -7.303
  131   2HD2  ASN  17          2HD2      ASN  17   0.659 -12.386  -7.696
  132    H    ALA  18           H        ALA  18   3.613  -8.713  -7.778
  133    HA   ALA  18           HA       ALA  18   5.542  -7.302  -8.079
  134   1HB   ALA  18          1HB       ALA  18   6.773  -9.338  -7.235
  135   2HB   ALA  18          2HB       ALA  18   6.887  -9.952  -8.900
  136   3HB   ALA  18          3HB       ALA  18   7.728  -8.455  -8.459
  137    H    ASP  19           H        ASP  19   3.637  -7.498 -10.220
  138    HA   ASP  19           HA       ASP  19   5.127  -6.723 -12.708
  139   1HB   ASP  19          1HB       ASP  19   2.272  -6.471 -11.682
  140   2HB   ASP  19          2HB       ASP  19   2.771  -5.375 -12.963
  141    H    GLY  20           H        GLY  20   4.279  -5.102  -9.687
  142   1HA   GLY  20          1HA       GLY  20   6.385  -3.303  -9.259
  143   2HA   GLY  20          2HA       GLY  20   5.551  -2.519 -10.610
  144    H    TYR  21           H        TYR  21   2.931  -3.631  -9.343
  145    HA   TYR  21           HA       TYR  21   2.461  -1.100  -7.660
  146   1HB   TYR  21          1HB       TYR  21   0.238  -2.613  -9.131
  147   2HB   TYR  21          2HB       TYR  21   0.233  -0.978  -8.539
  148    HD1  TYR  21           HD1      TYR  21   1.538  -3.146 -11.308
  149    HD2  TYR  21           HD2      TYR  21   1.050   0.876  -9.861
  150    HE1  TYR  21           HE1      TYR  21   2.187  -2.249 -13.518
  151    HE2  TYR  21           HE2      TYR  21   1.692   1.740 -12.076
  152    HH   TYR  21           HH       TYR  21   3.028   1.029 -13.969
  153    H    ILE  22           H        ILE  22   0.752  -1.170  -6.052
  154    HA   ILE  22           HA       ILE  22   0.010  -3.935  -4.932
  155    HB   ILE  22           HB       ILE  22   0.153  -1.264  -3.436
  156   1HG1  ILE  22          1HG1      ILE  22   1.887  -3.794  -3.303
  157   2HG1  ILE  22          2HG1      ILE  22   2.391  -2.133  -3.458
  158   1HG2  ILE  22          1HG2      ILE  22  -1.853  -2.581  -2.618
  159   2HG2  ILE  22          2HG2      ILE  22  -0.828  -3.999  -2.327
  160   3HG2  ILE  22          3HG2      ILE  22  -0.622  -2.511  -1.369
  161   1HD1  ILE  22          1HD1      ILE  22   1.647  -1.627  -1.075
  162   2HD1  ILE  22          2HD1      ILE  22   1.322  -3.366  -0.855
  163   3HD1  ILE  22          3HD1      ILE  22   2.971  -2.811  -1.209
  164    H    ASP  23           H        ASP  23  -2.158  -4.393  -4.554
  165    HA   ASP  23           HA       ASP  23  -4.249  -2.306  -5.348
  166   1HB   ASP  23          1HB       ASP  23  -5.667  -4.500  -5.777
  167   2HB   ASP  23          2HB       ASP  23  -4.432  -4.028  -6.936
  168    H    ILE  24           H        ILE  24  -6.462  -2.753  -4.369
  169    HA   ILE  24           HA       ILE  24  -6.325  -2.485  -1.372
  170    HB   ILE  24           HB       ILE  24  -8.037  -1.343  -3.052
  171   1HG1  ILE  24          1HG1      ILE  24  -7.941  -1.184  -0.405
  172   2HG1  ILE  24          2HG1      ILE  24  -9.363  -0.640  -1.253
  173   1HG2  ILE  24          1HG2      ILE  24  -9.094  -3.466  -3.954
  174   2HG2  ILE  24          2HG2      ILE  24  -9.631  -3.908  -2.321
  175   3HG2  ILE  24          3HG2      ILE  24 -10.300  -2.478  -3.147
  176   1HD1  ILE  24          1HD1      ILE  24 -10.541  -2.852  -0.802
  177   2HD1  ILE  24          2HD1      ILE  24  -9.176  -3.318   0.241
  178   3HD1  ILE  24          3HD1      ILE  24 -10.160  -1.899   0.657
  179    H    GLU  25           H        GLU  25  -6.853  -5.048  -3.673
  180    HA   GLU  25           HA       GLU  25  -8.223  -6.956  -1.806
  181   1HB   GLU  25          1HB       GLU  25  -8.811  -7.108  -4.110
  182   2HB   GLU  25          2HB       GLU  25  -7.163  -7.236  -4.646
  183   1HG   GLU  25          1HG       GLU  25  -8.327  -9.439  -4.838
  184   2HG   GLU  25          2HG       GLU  25  -6.993  -9.584  -3.708
  185    H    GLU  26           H        GLU  26  -4.909  -6.390  -2.834
  186    HA   GLU  26           HA       GLU  26  -3.734  -8.523  -1.078
  187   1HB   GLU  26          1HB       GLU  26  -2.467  -6.266  -2.678
  188   2HB   GLU  26          2HB       GLU  26  -1.528  -7.251  -1.597
  189   1HG   GLU  26          1HG       GLU  26  -2.492  -9.324  -3.046
  190   2HG   GLU  26          2HG       GLU  26  -2.875  -8.093  -4.236
  191    H    LEU  27           H        LEU  27  -4.683  -5.202  -0.627
  192    HA   LEU  27           HA       LEU  27  -2.787  -4.188   1.324
  193   1HB   LEU  27          1HB       LEU  27  -4.443  -2.803   0.131
  194   2HB   LEU  27          2HB       LEU  27  -5.773  -3.569   0.962
  195    HG   LEU  27           HG       LEU  27  -5.296  -1.288   1.862
  196   1HD1  LEU  27          1HD1      LEU  27  -6.380  -2.992   3.329
  197   2HD1  LEU  27          2HD1      LEU  27  -4.791  -3.525   3.946
  198   3HD1  LEU  27          3HD1      LEU  27  -5.393  -1.873   4.267
  199   1HD2  LEU  27          1HD2      LEU  27  -2.604  -2.464   2.883
  200   2HD2  LEU  27          2HD2      LEU  27  -2.793  -1.210   1.621
  201   3HD2  LEU  27          3HD2      LEU  27  -3.280  -0.861   3.283
  202    H    GLY  28           H        GLY  28  -6.051  -5.304   2.270
  203   1HA   GLY  28          1HA       GLY  28  -5.755  -5.587   5.148
  204   2HA   GLY  28          2HA       GLY  28  -6.812  -6.600   4.158
  205    H    GLU  29           H        GLU  29  -4.761  -7.880   2.599
  206    HA   GLU  29           HA       GLU  29  -4.231 -10.148   4.487
  207   1HB   GLU  29          1HB       GLU  29  -4.200  -9.781   1.523
  208   2HB   GLU  29          2HB       GLU  29  -3.068 -10.956   2.120
  209   1HG   GLU  29          1HG       GLU  29  -5.452 -11.799   1.385
  210   2HG   GLU  29          2HG       GLU  29  -4.805 -12.458   2.876
  211    H    ILE  30           H        ILE  30  -2.277  -7.668   2.960
  212    HA   ILE  30           HA       ILE  30   0.385  -8.380   4.096
  213    HB   ILE  30           HB       ILE  30  -0.872  -5.682   3.392
  214   1HG1  ILE  30          1HG1      ILE  30  -0.234  -6.497   1.294
  215   2HG1  ILE  30          2HG1      ILE  30   1.239  -5.691   1.761
  216   1HG2  ILE  30          1HG2      ILE  30   0.726  -5.284   5.301
  217   2HG2  ILE  30          2HG2      ILE  30   2.018  -6.143   4.423
  218   3HG2  ILE  30          3HG2      ILE  30   1.365  -4.598   3.810
  219   1HD1  ILE  30          1HD1      ILE  30   0.893  -8.753   2.017
  220   2HD1  ILE  30          2HD1      ILE  30   1.792  -7.867   0.767
  221   3HD1  ILE  30          3HD1      ILE  30   2.339  -7.808   2.454
  222    H    LEU  31           H        LEU  31  -2.223  -6.254   5.418
  223    HA   LEU  31           HA       LEU  31  -0.652  -5.546   7.853
  224   1HB   LEU  31          1HB       LEU  31  -3.655  -5.283   7.880
  225   2HB   LEU  31          2HB       LEU  31  -2.439  -4.189   8.491
  226    HG   LEU  31           HG       LEU  31  -3.371  -4.497   5.587
  227   1HD1  LEU  31          1HD1      LEU  31  -3.371  -2.128   7.577
  228   2HD1  LEU  31          2HD1      LEU  31  -3.878  -2.041   5.869
  229   3HD1  LEU  31          3HD1      LEU  31  -4.776  -3.063   6.995
  230   1HD2  LEU  31          1HD2      LEU  31  -0.931  -2.867   6.600
  231   2HD2  LEU  31          2HD2      LEU  31  -0.907  -4.201   5.413
  232   3HD2  LEU  31          3HD2      LEU  31  -1.691  -2.673   4.998
  233    H    ARG  32           H        ARG  32  -2.711  -8.233   7.077
  234    HA   ARG  32           HA       ARG  32  -2.414  -9.312   9.942
  235   1HB   ARG  32          1HB       ARG  32  -4.662  -8.514   8.844
  236   2HB   ARG  32          2HB       ARG  32  -4.606  -9.996   7.892
  237   1HG   ARG  32          1HG       ARG  32  -5.565 -11.113   9.661
  238   2HG   ARG  32          2HG       ARG  32  -4.133 -10.763  10.647
  239   1HD   ARG  32          1HD       ARG  32  -5.083  -8.571  11.386
  240   2HD   ARG  32          2HD       ARG  32  -6.464  -8.746  10.280
  241    HE   ARG  32           HE       ARG  32  -6.503 -11.143  11.875
  242   1HH1  ARG  32          2HH1      ARG  32  -6.756  -7.751  12.581
  243   2HH1  ARG  32          1HH1      ARG  32  -7.813  -8.057  14.039
  244   1HH2  ARG  32          1HH2      ARG  32  -7.681 -11.450  13.534
  245   2HH2  ARG  32          2HH2      ARG  32  -8.274 -10.058  14.551
  246    H    ALA  33           H        ALA  33  -2.729 -10.511   6.573
  247    HA   ALA  33           HA       ALA  33  -2.543 -13.277   7.371
  248   1HB   ALA  33          1HB       ALA  33  -3.816 -12.430   5.405
  249   2HB   ALA  33          2HB       ALA  33  -2.300 -12.022   4.557
  250   3HB   ALA  33          3HB       ALA  33  -2.702 -13.716   4.911
  251    H    THR  34           H        THR  34   0.087 -11.195   6.780
  252    HA   THR  34           HA       THR  34   1.743 -12.913   5.088
  253    HB   THR  34           HB       THR  34   2.206 -10.677   4.703
  254    HG1  THR  34           HG1      THR  34   4.139 -10.558   6.630
  255   1HG2  THR  34          2HG2      THR  34   0.964  -9.840   6.806
  256   2HG2  THR  34          3HG2      THR  34   2.455 -10.114   7.743
  257   3HG2  THR  34          1HG2      THR  34   2.438  -8.907   6.447
  258    H    GLY  35           H        GLY  35   1.677 -12.508   8.623
  259   1HA   GLY  35          1HA       GLY  35   1.911 -14.886   9.770
  260   2HA   GLY  35          2HA       GLY  35   3.365 -15.071   8.782
  261   1HN   NH2  36          1HN       NH2  36   5.155 -13.284   9.130
  262   2HN   NH2  36          2HN       NH2  36   5.468 -12.861  10.835
  263   1H    ACE  37          1HH3      ACE  37  -7.828 -10.822  10.211
  264   2H    ACE  37          2HH3      ACE  37  -9.352 -10.745  11.160
  265   3H    ACE  37          3HH3      ACE  37  -9.346 -11.464   9.529
  266    H    VAL  38           H        VAL  38  -8.949  -8.405  11.281
  267    HA   VAL  38           HA       VAL  38  -8.951  -6.078  10.556
  268    HB   VAL  38           HB       VAL  38  -8.043  -5.458   8.596
  269   1HG1  VAL  38          1HG1      VAL  38  -7.498  -8.505   8.333
  270   2HG1  VAL  38          2HG1      VAL  38  -6.645  -7.254   7.400
  271   3HG1  VAL  38          3HG1      VAL  38  -6.476  -7.315   9.157
  272   1HG2  VAL  38          1HG2      VAL  38 -10.093  -5.904   7.175
  273   2HG2  VAL  38          2HG2      VAL  38  -8.613  -6.354   6.302
  274   3HG2  VAL  38          3HG2      VAL  38  -9.632  -7.615   7.038
  275    H    THR  39           H        THR  39 -10.552  -4.679   9.245
  276    HA   THR  39           HA       THR  39 -13.318  -5.989   9.187
  277    HB   THR  39           HB       THR  39 -13.908  -4.835  11.035
  278    HG1  THR  39           HG1      THR  39 -13.911  -2.376  10.594
  279   1HG2  THR  39          2HG2      THR  39 -11.505  -2.925  10.598
  280   2HG2  THR  39          3HG2      THR  39 -12.549  -2.953  12.041
  281   3HG2  THR  39          1HG2      THR  39 -11.524  -4.352  11.660
  282    H    GLU  40           H        GLU  40 -14.703  -5.161   7.523
  283    HA   GLU  40           HA       GLU  40 -12.988  -4.778   5.096
  284   1HB   GLU  40          1HB       GLU  40 -15.985  -5.012   4.883
  285   2HB   GLU  40          2HB       GLU  40 -14.752  -5.574   3.796
  286   1HG   GLU  40          1HG       GLU  40 -14.748  -6.967   6.495
  287   2HG   GLU  40          2HG       GLU  40 -16.201  -7.214   5.544
  288    H    GLU  41           H        GLU  41 -16.020  -3.087   6.010
  289    HA   GLU  41           HA       GLU  41 -15.689  -0.826   4.330
  290   1HB   GLU  41          1HB       GLU  41 -17.821  -1.183   5.148
  291   2HB   GLU  41          2HB       GLU  41 -17.333  -1.315   6.810
  292   1HG   GLU  41          1HG       GLU  41 -17.439   1.032   7.189
  293   2HG   GLU  41          2HG       GLU  41 -17.004   1.451   5.542
  294    H    ASP  42           H        ASP  42 -14.025  -1.325   7.319
  295    HA   ASP  42           HA       ASP  42 -13.167   1.470   7.919
  296   1HB   ASP  42          1HB       ASP  42 -12.320  -1.327   8.814
  297   2HB   ASP  42          2HB       ASP  42 -11.255   0.028   9.162
  298    H    ILE  43           H        ILE  43 -11.688  -1.206   6.077
  299    HA   ILE  43           HA       ILE  43  -9.293   0.422   5.262
  300    HB   ILE  43           HB       ILE  43 -10.194  -2.409   4.543
  301   1HG1  ILE  43          1HG1      ILE  43  -7.769  -2.896   5.549
  302   2HG1  ILE  43          2HG1      ILE  43  -7.889  -1.305   6.251
  303   1HG2  ILE  43          1HG2      ILE  43  -9.062  -1.491   2.479
  304   2HG2  ILE  43          2HG2      ILE  43  -7.666  -0.972   3.444
  305   3HG2  ILE  43          3HG2      ILE  43  -8.033  -2.702   3.231
  306   1HD1  ILE  43          1HD1      ILE  43 -10.015  -1.921   7.477
  307   2HD1  ILE  43          2HD1      ILE  43  -9.838  -3.600   6.901
  308   3HD1  ILE  43          3HD1      ILE  43  -8.598  -2.883   7.953
  309    H    GLU  44           H        GLU  44 -12.414  -0.369   3.875
  310    HA   GLU  44           HA       GLU  44 -11.778   0.398   1.048
  311   1HB   GLU  44          1HB       GLU  44 -13.591  -0.751   0.595
  312   2HB   GLU  44          2HB       GLU  44 -13.842  -1.060   2.285
  313   1HG   GLU  44          1HG       GLU  44 -15.751   0.258   2.354
  314   2HG   GLU  44          2HG       GLU  44 -14.987   1.604   1.529
  315    H    ASP  45           H        ASP  45 -13.189   2.018   3.842
  316    HA   ASP  45           HA       ASP  45 -13.637   4.668   2.488
  317   1HB   ASP  45          1HB       ASP  45 -13.826   3.618   5.354
  318   2HB   ASP  45          2HB       ASP  45 -13.756   5.355   5.088
  319    H    LEU  46           H        LEU  46 -11.105   3.228   4.513
  320    HA   LEU  46           HA       LEU  46  -9.389   5.632   4.746
  321   1HB   LEU  46          1HB       LEU  46  -9.342   3.674   6.281
  322   2HB   LEU  46          2HB       LEU  46  -8.688   2.648   5.026
  323    HG   LEU  46           HG       LEU  46  -7.036   5.113   5.676
  324   1HD1  LEU  46          1HD1      LEU  46  -7.861   4.280   7.961
  325   2HD1  LEU  46          2HD1      LEU  46  -7.081   2.715   7.593
  326   3HD1  LEU  46          3HD1      LEU  46  -6.091   4.176   7.729
  327   1HD2  LEU  46          1HD2      LEU  46  -6.279   3.276   4.006
  328   2HD2  LEU  46          2HD2      LEU  46  -5.138   3.595   5.346
  329   3HD2  LEU  46          3HD2      LEU  46  -6.176   2.169   5.406
  330    H    MET  47           H        MET  47  -8.957   2.848   2.548
  331    HA   MET  47           HA       MET  47  -6.760   4.124   1.058
  332   1HB   MET  47          1HB       MET  47  -7.461   1.555   1.374
  333   2HB   MET  47          2HB       MET  47  -8.372   1.817  -0.104
  334   1HG   MET  47          1HG       MET  47  -5.630   2.877  -0.468
  335   2HG   MET  47          2HG       MET  47  -5.599   1.184   0.059
  336   1HE   MET  47          1HE       MET  47  -4.327   1.076  -2.302
  337   2HE   MET  47          2HE       MET  47  -5.167  -0.402  -1.750
  338   3HE   MET  47          3HE       MET  47  -5.279   0.089  -3.465
  339    H    LYS  48           H        LYS  48 -10.232   3.727   0.294
  340    HA   LYS  48           HA       LYS  48 -10.078   4.710  -2.540
  341   1HB   LYS  48          1HB       LYS  48 -12.232   4.072  -2.690
  342   2HB   LYS  48          2HB       LYS  48 -11.859   3.113  -1.291
  343   1HG   LYS  48          1HG       LYS  48 -12.887   5.064   0.168
  344   2HG   LYS  48          2HG       LYS  48 -13.284   5.875  -1.314
  345   1HD   LYS  48          1HD       LYS  48 -14.412   3.330  -1.771
  346   2HD   LYS  48          2HD       LYS  48 -14.734   3.531  -0.080
  347   1HE   LYS  48          1HE       LYS  48 -15.807   5.885  -0.711
  348   2HE   LYS  48          2HE       LYS  48 -15.592   5.423  -2.391
  349   1HZ   LYS  48          1HZ       LYS  48 -16.931   3.281  -0.843
  350   2HZ   LYS  48          2HZ       LYS  48 -17.834   4.660  -1.005
  351   3HZ   LYS  48          3HZ       LYS  48 -17.259   3.834  -2.290
  352    H    ASP  49           H        ASP  49 -10.447   6.148   0.622
  353    HA   ASP  49           HA       ASP  49 -10.706   8.990  -0.372
  354   1HB   ASP  49          1HB       ASP  49 -11.399   8.376   1.958
  355   2HB   ASP  49          2HB       ASP  49  -9.750   7.917   2.360
  356    H    SER  50           H        SER  50  -7.956   7.150   0.993
  357    HA   SER  50           HA       SER  50  -6.002   9.149   0.872
  358   1HB   SER  50          1HB       SER  50  -4.505   7.524   1.546
  359   2HB   SER  50          2HB       SER  50  -5.957   6.538   1.680
  360    HG   SER  50           HG       SER  50  -3.890   5.966   0.304
  361    H    ASP  51           H        ASP  51  -7.118   7.322  -1.883
  362    HA   ASP  51           HA       ASP  51  -4.991   7.918  -3.856
  363   1HB   ASP  51          1HB       ASP  51  -7.051   6.206  -3.886
  364   2HB   ASP  51          2HB       ASP  51  -7.937   7.543  -4.606
  365    H    LYS  52           H        LYS  52  -6.204   9.170  -5.949
  366    HA   LYS  52           HA       LYS  52  -7.632  11.670  -4.971
  367   1HB   LYS  52          1HB       LYS  52  -5.540  11.629  -7.214
  368   2HB   LYS  52          2HB       LYS  52  -6.562  13.000  -6.913
  369   1HG   LYS  52          1HG       LYS  52  -4.746  13.746  -5.622
  370   2HG   LYS  52          2HG       LYS  52  -5.432  12.738  -4.387
  371   1HD   LYS  52          1HD       LYS  52  -3.655  11.385  -4.283
  372   2HD   LYS  52          2HD       LYS  52  -3.763  10.921  -5.949
  373   1HE   LYS  52          1HE       LYS  52  -2.357  13.559  -5.040
  374   2HE   LYS  52          2HE       LYS  52  -1.519  12.009  -5.065
  375   1HZ   LYS  52          1HZ       LYS  52  -2.971  12.647  -7.583
  376   2HZ   LYS  52          2HZ       LYS  52  -1.756  13.630  -7.330
  377   3HZ   LYS  52          3HZ       LYS  52  -1.479  12.001  -7.439
  378    H    ASN  53           H        ASN  53  -6.826  10.325  -8.181
  379    HA   ASN  53           HA       ASN  53  -9.390  11.209  -9.254
  380   1HB   ASN  53          1HB       ASN  53  -8.442  10.741 -11.405
  381   2HB   ASN  53          2HB       ASN  53  -7.058  11.106 -10.412
  382   1HD2  ASN  53          1HD2      ASN  53  -7.186   7.569 -12.266
  383   2HD2  ASN  53          2HD2      ASN  53  -8.456   8.852 -12.503
  384    H    ASN  54           H        ASN  54  -9.185   8.625  -7.402
  385    HA   ASN  54           HA       ASN  54 -10.487   6.642  -7.036
  386   1HB   ASN  54          1HB       ASN  54 -12.202   8.103  -9.139
  387   2HB   ASN  54          2HB       ASN  54 -12.600   6.462  -8.715
  388   1HD2  ASN  54          1HD2      ASN  54 -14.544   7.755  -6.084
  389   2HD2  ASN  54          2HD2      ASN  54 -14.393   6.645  -7.518
  390    H    ASP  55           H        ASP  55  -8.232   6.776  -8.980
  391    HA   ASP  55           HA       ASP  55  -8.665   3.951 -10.086
  392   1HB   ASP  55          1HB       ASP  55  -6.750   6.178 -10.786
  393   2HB   ASP  55          2HB       ASP  55  -6.048   4.566 -10.787
  394    H    GLY  56           H        GLY  56  -8.893   3.135  -7.825
  395   1HA   GLY  56          1HA       GLY  56  -7.380   4.091  -5.512
  396   2HA   GLY  56          2HA       GLY  56  -8.217   2.536  -5.592
  397    H    ARG  57           H        ARG  57  -6.675   1.328  -7.670
  398    HA   ARG  57           HA       ARG  57  -4.572   0.011  -6.380
  399   1HB   ARG  57          1HB       ARG  57  -4.891  -1.094  -8.322
  400   2HB   ARG  57          2HB       ARG  57  -5.475   0.345  -9.158
  401   1HG   ARG  57          1HG       ARG  57  -2.989   1.066  -9.457
  402   2HG   ARG  57          2HG       ARG  57  -2.510  -0.484  -8.769
  403   1HD   ARG  57          1HD       ARG  57  -4.441  -0.435 -11.173
  404   2HD   ARG  57          2HD       ARG  57  -2.720  -0.152 -11.428
  405    HE   ARG  57           HE       ARG  57  -2.087  -2.358 -10.509
  406   1HH1  ARG  57          2HH1      ARG  57  -5.533  -2.026 -10.683
  407   2HH1  ARG  57          1HH1      ARG  57  -5.767  -3.837 -10.452
  408   1HH2  ARG  57          1HH2      ARG  57  -2.377  -4.321 -10.362
  409   2HH2  ARG  57          2HH2      ARG  57  -4.044  -5.087 -10.346
  410    H    ILE  58           H        ILE  58  -2.520   0.251  -5.822
  411    HA   ILE  58           HA       ILE  58  -1.545   3.127  -5.816
  412    HB   ILE  58           HB       ILE  58  -1.245   0.852  -3.800
  413   1HG1  ILE  58          1HG1      ILE  58  -2.595   3.629  -3.616
  414   2HG1  ILE  58          2HG1      ILE  58  -3.405   2.088  -3.669
  415   1HG2  ILE  58          1HG2      ILE  58   0.965   2.091  -3.830
  416   2HG2  ILE  58          2HG2      ILE  58   0.122   3.635  -3.591
  417   3HG2  ILE  58          3HG2      ILE  58   0.109   2.390  -2.320
  418   1HD1  ILE  58          1HD1      ILE  58  -2.408   1.398  -1.442
  419   2HD1  ILE  58          2HD1      ILE  58  -1.678   3.019  -1.297
  420   3HD1  ILE  58          3HD1      ILE  58  -3.446   2.844  -1.356
  421    H    ASP  59           H        ASP  59   0.461   3.738  -6.483
  422    HA   ASP  59           HA       ASP  59   2.634   1.620  -6.875
  423   1HB   ASP  59          1HB       ASP  59   3.604   3.181  -8.571
  424   2HB   ASP  59          2HB       ASP  59   1.947   2.740  -8.956
  425    H    PHE  60           H        PHE  60   4.925   2.962  -6.887
  426    HA   PHE  60           HA       PHE  60   5.505   2.457  -4.079
  427   1HB   PHE  60          1HB       PHE  60   7.038   2.183  -6.180
  428   2HB   PHE  60          2HB       PHE  60   7.409   3.868  -6.039
  429    HD1  PHE  60           HD1      PHE  60   7.249   3.402  -2.693
  430    HD2  PHE  60           HD2      PHE  60   9.556   1.871  -5.977
  431    HE1  PHE  60           HE1      PHE  60   9.136   2.947  -1.167
  432    HE2  PHE  60           HE2      PHE  60  11.430   1.426  -4.455
  433    HZ   PHE  60           HZ       PHE  60  11.261   2.039  -2.064
  434    H    ASP  61           H        ASP  61   5.149   5.528  -5.769
  435    HA   ASP  61           HA       ASP  61   5.939   7.493  -3.760
  436   1HB   ASP  61          1HB       ASP  61   3.447   7.872  -5.615
  437   2HB   ASP  61          2HB       ASP  61   4.787   8.928  -5.231
  438    H    GLU  62           H        GLU  62   2.584   6.674  -4.454
  439    HA   GLU  62           HA       GLU  62   1.177   7.388  -2.061
  440   1HB   GLU  62          1HB       GLU  62   0.679   4.866  -3.705
  441   2HB   GLU  62          2HB       GLU  62  -0.432   5.555  -2.561
  442   1HG   GLU  62          1HG       GLU  62   0.493   7.288  -4.933
  443   2HG   GLU  62          2HG       GLU  62  -0.697   6.031  -5.210
  444    H    PHE  63           H        PHE  63   3.326   4.584  -2.407
  445    HA   PHE  63           HA       PHE  63   2.549   3.159   0.114
  446   1HB   PHE  63          1HB       PHE  63   3.820   2.174  -1.920
  447   2HB   PHE  63          2HB       PHE  63   5.229   3.030  -1.391
  448    HD1  PHE  63           HD1      PHE  63   3.078   0.098  -0.584
  449    HD2  PHE  63           HD2      PHE  63   6.565   2.354   0.545
  450    HE1  PHE  63           HE1      PHE  63   3.860  -1.774   0.808
  451    HE2  PHE  63           HE2      PHE  63   7.342   0.471   1.886
  452    HZ   PHE  63           HZ       PHE  63   5.956  -1.566   2.108
  453    H    LEU  64           H        LEU  64   5.244   5.352  -0.712
  454    HA   LEU  64           HA       LEU  64   6.446   5.541   1.912
  455   1HB   LEU  64          1HB       LEU  64   6.454   7.530  -0.415
  456   2HB   LEU  64          2HB       LEU  64   7.402   7.798   1.028
  457    HG   LEU  64           HG       LEU  64   7.744   5.210  -0.580
  458   1HD1  LEU  64          1HD1      LEU  64   9.069   7.946  -1.166
  459   2HD1  LEU  64          2HD1      LEU  64   9.620   6.384  -1.830
  460   3HD1  LEU  64          3HD1      LEU  64   8.008   6.984  -2.231
  461   1HD2  LEU  64          1HD2      LEU  64   9.653   6.804   1.285
  462   2HD2  LEU  64          2HD2      LEU  64   8.915   5.209   1.615
  463   3HD2  LEU  64          3HD2      LEU  64  10.121   5.373   0.333
  464    H    LYS  65           H        LYS  65   3.849   7.568   0.585
  465    HA   LYS  65           HA       LYS  65   3.599   9.305   3.000
  466   1HB   LYS  65          1HB       LYS  65   2.279  10.521   1.594
  467   2HB   LYS  65          2HB       LYS  65   3.130   9.596   0.371
  468   1HG   LYS  65          1HG       LYS  65   1.031   8.038   0.291
  469   2HG   LYS  65          2HG       LYS  65   0.258   9.146   1.440
  470   1HD   LYS  65          1HD       LYS  65   1.560  10.350  -1.024
  471   2HD   LYS  65          2HD       LYS  65   0.032   9.503  -1.283
  472   1HE   LYS  65          1HE       LYS  65  -1.197  11.202  -0.070
  473   2HE   LYS  65          2HE       LYS  65   0.211  11.642   0.914
  474   1HZ   LYS  65          1HZ       LYS  65   1.211  12.266  -1.530
  475   2HZ   LYS  65          2HZ       LYS  65  -0.331  12.484  -1.929
  476   3HZ   LYS  65          3HZ       LYS  65   0.342  13.382  -0.720
  477    H    MET  66           H        MET  66   1.542   6.604   1.733
  478    HA   MET  66           HA       MET  66  -0.178   6.094   3.867
  479   1HB   MET  66          1HB       MET  66   0.067   4.748   1.722
  480   2HB   MET  66          2HB       MET  66   1.454   3.931   2.410
  481   1HG   MET  66          1HG       MET  66  -0.629   3.568   4.372
  482   2HG   MET  66          2HG       MET  66  -1.373   3.253   2.793
  483   1HE   MET  66          1HE       MET  66   0.416   2.047   0.843
  484   2HE   MET  66          2HE       MET  66   0.431   0.312   1.278
  485   3HE   MET  66          3HE       MET  66  -1.087   1.252   1.406
  486    H    MET  67           H        MET  67   3.137   4.707   3.843
  487    HA   MET  67           HA       MET  67   3.086   3.590   6.555
  488   1HB   MET  67          1HB       MET  67   4.790   3.192   4.529
  489   2HB   MET  67          2HB       MET  67   5.664   4.551   5.208
  490   1HG   MET  67          1HG       MET  67   6.775   2.812   6.301
  491   2HG   MET  67          2HG       MET  67   5.544   3.180   7.525
  492   1HE   MET  67          1HE       MET  67   7.376   0.849   6.935
  493   2HE   MET  67          2HE       MET  67   6.457  -0.681   7.083
  494   3HE   MET  67          3HE       MET  67   6.951  -0.090   5.467
  495    H    GLU  68           H        GLU  68   4.706   6.578   5.412
  496    HA   GLU  68           HA       GLU  68   5.558   7.290   8.130
  497   1HB   GLU  68          1HB       GLU  68   7.047   8.714   7.196
  498   2HB   GLU  68          2HB       GLU  68   6.787   7.621   5.871
  499   1HG   GLU  68          1HG       GLU  68   6.612   9.566   4.614
  500   2HG   GLU  68          2HG       GLU  68   4.947   9.605   5.166
  501    H    GLY  69           H        GLY  69   3.076   8.718   6.052
  502   1HA   GLY  69          1HA       GLY  69   0.911   9.464   6.945
  503   2HA   GLY  69          2HA       GLY  69   1.660   9.681   8.531
  504    H    VAL  70           H        VAL  70   0.593  11.650   8.823
  505    HA   VAL  70           HA       VAL  70   1.093  13.939   6.830
  506    HB   VAL  70           HB       VAL  70  -1.340  13.285   7.329
  507   1HG1  VAL  70          1HG1      VAL  70  -0.761  14.668  10.046
  508   2HG1  VAL  70          2HG1      VAL  70  -2.386  14.297   9.414
  509   3HG1  VAL  70          3HG1      VAL  70  -1.279  12.981   9.813
  510   1HG2  VAL  70          1HG2      VAL  70  -0.748  15.521   6.308
  511   2HG2  VAL  70          2HG2      VAL  70  -2.148  15.659   7.360
  512   3HG2  VAL  70          3HG2      VAL  70  -0.551  16.236   7.923
  513    H    GLN  71           H        GLN  71   2.567  15.376   7.447
  514    HA   GLN  71           HA       GLN  71   3.580  15.575  10.239
  515   1HB   GLN  71          1HB       GLN  71   4.756  15.781   7.809
  516   2HB   GLN  71          2HB       GLN  71   4.482  17.500   8.081
  517   1HG   GLN  71          1HG       GLN  71   6.764  16.554   8.866
  518   2HG   GLN  71          2HG       GLN  71   5.928  17.523  10.064
  519   1HE2  GLN  71          1HE2      GLN  71   6.082  14.909  12.408
  520   2HE2  GLN  71          2HE2      GLN  71   5.767  16.687  12.011
  521   1HN   NH2  72          1HN       NH2  72   0.684  16.634   9.415
  522   2HN   NH2  72          2HN       NH2  72   0.619  18.231  10.209
   
  No H/Q in entry =         522
  Start of MODEL   34
    1   1H    ACE   1          1HH3      ACE   1  21.955   7.558  -4.979
    2   2H    ACE   1          2HH3      ACE   1  22.072   9.166  -5.779
    3   3H    ACE   1          3HH3      ACE   1  22.806   8.895  -4.173
    4    H    LYS   2           H        LYS   2  19.566   8.831  -5.766
    5    HA   LYS   2           HA       LYS   2  18.237   9.669  -3.233
    6   1HB   LYS   2          1HB       LYS   2  17.619  10.222  -5.739
    7   2HB   LYS   2          2HB       LYS   2  16.723   8.718  -5.739
    8   1HG   LYS   2          1HG       LYS   2  15.545   9.799  -3.510
    9   2HG   LYS   2          2HG       LYS   2  16.255  11.290  -4.074
   10   1HD   LYS   2          1HD       LYS   2  13.983   9.664  -5.278
   11   2HD   LYS   2          2HD       LYS   2  14.104  11.411  -5.062
   12   1HE   LYS   2          1HE       LYS   2  14.394  11.324  -7.370
   13   2HE   LYS   2          2HE       LYS   2  16.102  11.245  -6.901
   14   1HZ   LYS   2          1HZ       LYS   2  14.640   8.598  -7.137
   15   2HZ   LYS   2          2HZ       LYS   2  14.979   9.399  -8.500
   16   3HZ   LYS   2          3HZ       LYS   2  16.191   8.967  -7.608
   17    H    SER   3           H        SER   3  18.114   8.267  -1.645
   18    HA   SER   3           HA       SER   3  18.510   5.384  -2.059
   19   1HB   SER   3          1HB       SER   3  19.456   7.010  -0.269
   20   2HB   SER   3          2HB       SER   3  17.977   6.776   0.631
   21    HG   SER   3           HG       SER   3  20.137   5.181   0.418
   22    H    GLU   4           H        GLU   4  16.708   4.591  -3.126
   23    HA   GLU   4           HA       GLU   4  14.405   3.848  -1.278
   24   1HB   GLU   4          1HB       GLU   4  13.357   3.676  -3.944
   25   2HB   GLU   4          2HB       GLU   4  12.751   4.401  -2.475
   26   1HG   GLU   4          1HG       GLU   4  14.777   6.112  -3.944
   27   2HG   GLU   4          2HG       GLU   4  13.293   5.804  -4.839
   28    H    GLU   5           H        GLU   5  16.852   2.560  -1.564
   29    HA   GLU   5           HA       GLU   5  16.877   0.267  -3.236
   30   1HB   GLU   5          1HB       GLU   5  18.635   1.304  -1.538
   31   2HB   GLU   5          2HB       GLU   5  18.074   0.058  -0.464
   32   1HG   GLU   5          1HG       GLU   5  20.200  -0.508  -1.823
   33   2HG   GLU   5          2HG       GLU   5  18.950  -1.737  -1.886
   34    H    GLU   6           H        GLU   6  16.094  -0.175   0.222
   35    HA   GLU   6           HA       GLU   6  14.987  -2.826  -0.259
   36   1HB   GLU   6          1HB       GLU   6  16.152  -2.573   1.726
   37   2HB   GLU   6          2HB       GLU   6  15.351  -1.102   2.189
   38   1HG   GLU   6          1HG       GLU   6  13.826  -2.255   3.490
   39   2HG   GLU   6          2HG       GLU   6  13.359  -3.308   2.167
   40    H    LEU   7           H        LEU   7  13.298   0.237   0.188
   41    HA   LEU   7           HA       LEU   7  10.540  -0.868   0.046
   42   1HB   LEU   7          1HB       LEU   7  11.687   1.920  -0.493
   43   2HB   LEU   7          2HB       LEU   7   9.985   1.573  -0.675
   44    HG   LEU   7           HG       LEU   7  10.366   0.632   1.908
   45   1HD1  LEU   7          1HD1      LEU   7  12.753   1.331   1.962
   46   2HD1  LEU   7          2HD1      LEU   7  12.313   3.013   1.572
   47   3HD1  LEU   7          3HD1      LEU   7  11.809   2.282   3.118
   48   1HD2  LEU   7          1HD2      LEU   7   9.718   3.557   1.073
   49   2HD2  LEU   7          2HD2      LEU   7   8.551   2.223   1.288
   50   3HD2  LEU   7          3HD2      LEU   7   9.419   2.859   2.688
   51    H    ALA   8           H        ALA   8  12.830   0.137  -2.530
   52    HA   ALA   8           HA       ALA   8  11.201  -0.661  -4.776
   53   1HB   ALA   8          1HB       ALA   8  14.267  -0.791  -4.374
   54   2HB   ALA   8          2HB       ALA   8  13.437  -0.888  -5.940
   55   3HB   ALA   8          3HB       ALA   8  13.325   0.592  -4.979
   56    H    ASN   9           H        ASN   9  13.806  -2.815  -3.482
   57    HA   ASN   9           HA       ASN   9  13.050  -5.386  -4.214
   58   1HB   ASN   9          1HB       ASN   9  13.792  -4.458  -1.354
   59   2HB   ASN   9          2HB       ASN   9  13.711  -6.136  -1.814
   60   1HD2  ASN   9          1HD2      ASN   9  17.169  -5.768  -2.491
   61   2HD2  ASN   9          2HD2      ASN   9  15.890  -6.468  -1.400
   62    H    ALA  10           H        ALA  10  11.439  -3.827  -1.414
   63    HA   ALA  10           HA       ALA  10   9.424  -5.927  -0.896
   64   1HB   ALA  10          1HB       ALA  10  10.194  -4.223   0.767
   65   2HB   ALA  10          2HB       ALA  10   9.428  -2.915  -0.171
   66   3HB   ALA  10          3HB       ALA  10   8.430  -4.176   0.584
   67    H    PHE  11           H        PHE  11   9.077  -2.801  -2.655
   68    HA   PHE  11           HA       PHE  11   6.375  -3.083  -3.561
   69   1HB   PHE  11          1HB       PHE  11   7.674  -0.992  -3.697
   70   2HB   PHE  11          2HB       PHE  11   8.750  -1.665  -4.874
   71    HD1  PHE  11           HD1      PHE  11   4.963  -1.448  -4.679
   72    HD2  PHE  11           HD2      PHE  11   8.492  -0.644  -7.007
   73    HE1  PHE  11           HE1      PHE  11   3.567  -0.625  -6.531
   74    HE2  PHE  11           HE2      PHE  11   7.079   0.233  -8.823
   75    HZ   PHE  11           HZ       PHE  11   4.612   0.165  -8.617
   76    H    ARG  12           H        ARG  12   9.262  -4.048  -5.471
   77    HA   ARG  12           HA       ARG  12   7.683  -5.442  -7.514
   78   1HB   ARG  12          1HB       ARG  12   9.813  -6.140  -8.492
   79   2HB   ARG  12          2HB       ARG  12   9.883  -4.446  -8.023
   80   1HG   ARG  12          1HG       ARG  12  11.940  -5.096  -7.157
   81   2HG   ARG  12          2HG       ARG  12  10.971  -5.491  -5.731
   82   1HD   ARG  12          1HD       ARG  12  11.072  -7.832  -6.101
   83   2HD   ARG  12          2HD       ARG  12  11.266  -7.658  -7.867
   84    HE   ARG  12           HE       ARG  12  13.495  -6.988  -5.853
   85   1HH1  ARG  12          2HH1      ARG  12  12.553  -8.122  -8.988
   86   2HH1  ARG  12          1HH1      ARG  12  14.285  -8.438  -9.484
   87   1HH2  ARG  12          1HH2      ARG  12  15.423  -7.333  -6.429
   88   2HH2  ARG  12          2HH2      ARG  12  15.833  -8.017  -8.070
   89    H    ILE  13           H        ILE  13   9.092  -6.566  -4.511
   90    HA   ILE  13           HA       ILE  13   8.932  -9.509  -5.020
   91    HB   ILE  13           HB       ILE  13   9.254  -7.859  -2.465
   92   1HG1  ILE  13          1HG1      ILE  13  11.262  -8.337  -4.184
   93   2HG1  ILE  13          2HG1      ILE  13  11.519  -8.373  -2.461
   94   1HG2  ILE  13          1HG2      ILE  13   7.959  -9.926  -1.811
   95   2HG2  ILE  13          2HG2      ILE  13   9.155 -10.963  -2.624
   96   3HG2  ILE  13          3HG2      ILE  13   9.593 -10.028  -1.181
   97   1HD1  ILE  13          1HD1      ILE  13  11.346 -10.883  -2.385
   98   2HD1  ILE  13          2HD1      ILE  13  11.147 -10.916  -4.155
   99   3HD1  ILE  13          3HD1      ILE  13  12.655 -10.309  -3.443
  100    H    PHE  14           H        PHE  14   6.770  -7.047  -3.709
  101    HA   PHE  14           HA       PHE  14   4.725  -8.776  -2.498
  102   1HB   PHE  14          1HB       PHE  14   4.690  -5.884  -3.549
  103   2HB   PHE  14          2HB       PHE  14   3.219  -6.628  -3.017
  104    HD1  PHE  14           HD1      PHE  14   5.282  -8.226  -0.801
  105    HD2  PHE  14           HD2      PHE  14   3.999  -4.221  -1.673
  106    HE1  PHE  14           HE1      PHE  14   5.653  -7.594   1.550
  107    HE2  PHE  14           HE2      PHE  14   4.393  -3.589   0.674
  108    HZ   PHE  14           HZ       PHE  14   5.227  -5.275   2.291
  109    H    ASP  15           H        ASP  15   5.235  -7.719  -5.806
  110    HA   ASP  15           HA       ASP  15   2.494  -8.001  -6.737
  111   1HB   ASP  15          1HB       ASP  15   4.178  -6.435  -7.694
  112   2HB   ASP  15          2HB       ASP  15   5.134  -7.769  -8.320
  113    H    LYS  16           H        LYS  16   1.362  -9.503  -7.794
  114    HA   LYS  16           HA       LYS  16   2.216 -12.384  -7.635
  115   1HB   LYS  16          1HB       LYS  16  -0.386 -11.141  -8.714
  116   2HB   LYS  16          2HB       LYS  16  -0.078 -12.855  -8.701
  117   1HG   LYS  16          1HG       LYS  16   0.335 -11.998  -5.969
  118   2HG   LYS  16          2HG       LYS  16  -0.999 -11.008  -6.546
  119   1HD   LYS  16          1HD       LYS  16  -2.491 -12.735  -6.450
  120   2HD   LYS  16          2HD       LYS  16  -1.429 -13.764  -7.409
  121   1HE   LYS  16          1HE       LYS  16  -1.497 -15.095  -5.535
  122   2HE   LYS  16          2HE       LYS  16  -0.057 -14.140  -5.125
  123   1HZ   LYS  16          1HZ       LYS  16  -2.725 -12.962  -4.381
  124   2HZ   LYS  16          2HZ       LYS  16  -2.237 -14.251  -3.514
  125   3HZ   LYS  16          3HZ       LYS  16  -1.321 -12.887  -3.513
  126    H    ASN  17           H        ASN  17   1.075 -10.234 -10.271
  127    HA   ASN  17           HA       ASN  17   2.032 -12.106 -12.345
  128   1HB   ASN  17          1HB       ASN  17  -0.103 -10.476 -12.203
  129   2HB   ASN  17          2HB       ASN  17   0.932  -9.353 -13.043
  130   1HD2  ASN  17          1HD2      ASN  17  -0.699 -10.782 -15.846
  131   2HD2  ASN  17          2HD2      ASN  17  -0.990  -9.585 -14.541
  132    H    ALA  18           H        ALA  18   3.175  -8.895 -11.315
  133    HA   ALA  18           HA       ALA  18   5.504  -8.174 -11.270
  134   1HB   ALA  18          1HB       ALA  18   6.054 -10.637 -11.259
  135   2HB   ALA  18          2HB       ALA  18   5.949 -10.663 -13.034
  136   3HB   ALA  18          3HB       ALA  18   7.218  -9.710 -12.246
  137    H    ASP  19           H        ASP  19   3.599  -7.068 -13.186
  138    HA   ASP  19           HA       ASP  19   5.526  -6.004 -15.267
  139   1HB   ASP  19          1HB       ASP  19   2.878  -6.400 -15.449
  140   2HB   ASP  19          2HB       ASP  19   2.762  -4.804 -14.721
  141    H    GLY  20           H        GLY  20   5.806  -5.655 -12.203
  142   1HA   GLY  20          1HA       GLY  20   6.958  -4.011 -10.841
  143   2HA   GLY  20          2HA       GLY  20   6.955  -2.937 -12.244
  144    H    TYR  21           H        TYR  21   3.851  -4.018 -11.188
  145    HA   TYR  21           HA       TYR  21   3.223  -1.235 -10.013
  146   1HB   TYR  21          1HB       TYR  21   1.377  -3.066 -11.678
  147   2HB   TYR  21          2HB       TYR  21   0.838  -1.642 -10.839
  148    HD1  TYR  21           HD1      TYR  21   3.542  -2.518 -13.383
  149    HD2  TYR  21           HD2      TYR  21   0.556   0.294 -12.087
  150    HE1  TYR  21           HE1      TYR  21   3.987  -1.101 -15.361
  151    HE2  TYR  21           HE2      TYR  21   1.000   1.671 -14.082
  152    HH   TYR  21           HH       TYR  21   2.506   0.683 -16.713
  153    H    ILE  22           H        ILE  22   1.597  -1.140  -8.350
  154    HA   ILE  22           HA       ILE  22   0.825  -3.765  -6.974
  155    HB   ILE  22           HB       ILE  22   0.449  -0.899  -5.946
  156   1HG1  ILE  22          1HG1      ILE  22   2.897  -2.330  -5.967
  157   2HG1  ILE  22          2HG1      ILE  22   2.516  -0.926  -5.007
  158   1HG2  ILE  22          1HG2      ILE  22  -1.283  -2.480  -4.983
  159   2HG2  ILE  22          2HG2      ILE  22  -0.004  -3.587  -4.448
  160   3HG2  ILE  22          3HG2      ILE  22  -0.169  -1.964  -3.730
  161   1HD1  ILE  22          1HD1      ILE  22   1.672  -2.392  -3.101
  162   2HD1  ILE  22          2HD1      ILE  22   2.249  -3.817  -4.001
  163   3HD1  ILE  22          3HD1      ILE  22   3.404  -2.575  -3.475
  164    H    ASP  23           H        ASP  23  -1.087  -4.626  -7.246
  165    HA   ASP  23           HA       ASP  23  -3.311  -3.076  -8.630
  166   1HB   ASP  23          1HB       ASP  23  -4.160  -5.547  -9.047
  167   2HB   ASP  23          2HB       ASP  23  -2.773  -4.948  -9.946
  168    H    ILE  24           H        ILE  24  -5.561  -3.652  -8.118
  169    HA   ILE  24           HA       ILE  24  -6.198  -3.271  -5.195
  170    HB   ILE  24           HB       ILE  24  -7.510  -2.395  -7.393
  171   1HG1  ILE  24          1HG1      ILE  24  -8.082  -1.487  -5.199
  172   2HG1  ILE  24          2HG1      ILE  24  -9.561  -1.968  -5.985
  173   1HG2  ILE  24          1HG2      ILE  24  -8.292  -4.679  -8.175
  174   2HG2  ILE  24          2HG2      ILE  24  -9.129  -4.935  -6.631
  175   3HG2  ILE  24          3HG2      ILE  24  -9.668  -3.670  -7.764
  176   1HD1  ILE  24          1HD1      ILE  24  -9.622  -4.139  -4.657
  177   2HD1  ILE  24          2HD1      ILE  24  -8.235  -3.548  -3.709
  178   3HD1  ILE  24          3HD1      ILE  24  -9.773  -2.660  -3.673
  179    H    GLU  25           H        GLU  25  -5.658  -5.977  -7.263
  180    HA   GLU  25           HA       GLU  25  -7.043  -7.976  -5.509
  181   1HB   GLU  25          1HB       GLU  25  -6.875  -8.470  -7.852
  182   2HB   GLU  25          2HB       GLU  25  -5.148  -8.284  -7.877
  183   1HG   GLU  25          1HG       GLU  25  -4.745 -10.461  -7.014
  184   2HG   GLU  25          2HG       GLU  25  -6.212 -10.496  -6.052
  185    H    GLU  26           H        GLU  26  -3.845  -6.562  -5.632
  186    HA   GLU  26           HA       GLU  26  -2.518  -8.702  -3.994
  187   1HB   GLU  26          1HB       GLU  26  -0.503  -7.807  -4.531
  188   2HB   GLU  26          2HB       GLU  26  -1.442  -7.351  -5.921
  189   1HG   GLU  26          1HG       GLU  26  -0.173  -5.378  -5.482
  190   2HG   GLU  26          2HG       GLU  26  -1.707  -4.966  -4.738
  191    H    LEU  27           H        LEU  27  -3.470  -5.336  -3.420
  192    HA   LEU  27           HA       LEU  27  -2.515  -4.695  -0.792
  193   1HB   LEU  27          1HB       LEU  27  -3.805  -3.157  -2.205
  194   2HB   LEU  27          2HB       LEU  27  -5.245  -4.133  -2.076
  195    HG   LEU  27           HG       LEU  27  -5.146  -1.963  -0.652
  196   1HD1  LEU  27          1HD1      LEU  27  -6.899  -3.718  -0.369
  197   2HD1  LEU  27          2HD1      LEU  27  -5.868  -4.612   0.784
  198   3HD1  LEU  27          3HD1      LEU  27  -6.477  -2.978   1.174
  199   1HD2  LEU  27          1HD2      LEU  27  -3.400  -3.739   1.211
  200   2HD2  LEU  27          2HD2      LEU  27  -2.866  -2.251   0.373
  201   3HD2  LEU  27          3HD2      LEU  27  -4.114  -2.154   1.620
  202    H    GLY  28           H        GLY  28  -5.804  -6.026  -1.179
  203   1HA   GLY  28          1HA       GLY  28  -6.375  -6.490   1.537
  204   2HA   GLY  28          2HA       GLY  28  -7.141  -7.454   0.268
  205    H    GLU  29           H        GLU  29  -5.053  -9.035  -0.612
  206    HA   GLU  29           HA       GLU  29  -4.916 -11.086   1.499
  207   1HB   GLU  29          1HB       GLU  29  -5.214 -12.121  -0.470
  208   2HB   GLU  29          2HB       GLU  29  -4.334 -10.949  -1.404
  209   1HG   GLU  29          1HG       GLU  29  -2.837 -12.705  -1.706
  210   2HG   GLU  29          2HG       GLU  29  -2.172 -12.194  -0.165
  211    H    ILE  30           H        ILE  30  -2.511  -8.830   0.307
  212    HA   ILE  30           HA       ILE  30  -0.194  -9.762   1.970
  213    HB   ILE  30           HB       ILE  30  -0.836  -7.108   0.607
  214   1HG1  ILE  30          1HG1      ILE  30   0.090  -8.890  -0.901
  215   2HG1  ILE  30          2HG1      ILE  30   1.150  -7.513  -0.776
  216   1HG2  ILE  30          1HG2      ILE  30   0.334  -6.511   2.759
  217   2HG2  ILE  30          2HG2      ILE  30   1.651  -7.651   2.381
  218   3HG2  ILE  30          3HG2      ILE  30   1.384  -6.196   1.381
  219   1HD1  ILE  30          1HD1      ILE  30   1.708 -10.152   0.735
  220   2HD1  ILE  30          2HD1      ILE  30   2.493  -9.568  -0.747
  221   3HD1  ILE  30          3HD1      ILE  30   2.706  -8.676   0.773
  222    H    LEU  31           H        LEU  31  -2.571  -7.099   2.409
  223    HA   LEU  31           HA       LEU  31  -1.511  -6.277   5.064
  224   1HB   LEU  31          1HB       LEU  31  -3.327  -4.730   5.199
  225   2HB   LEU  31          2HB       LEU  31  -2.740  -4.711   3.554
  226    HG   LEU  31           HG       LEU  31  -4.698  -6.200   2.853
  227   1HD1  LEU  31          1HD1      LEU  31  -5.632  -5.695   5.759
  228   2HD1  LEU  31          2HD1      LEU  31  -6.644  -6.363   4.450
  229   3HD1  LEU  31          3HD1      LEU  31  -5.226  -7.260   5.000
  230   1HD2  LEU  31          1HD2      LEU  31  -5.407  -3.483   4.175
  231   2HD2  LEU  31          2HD2      LEU  31  -4.914  -3.751   2.479
  232   3HD2  LEU  31          3HD2      LEU  31  -6.465  -4.376   3.051
  233    H    ARG  32           H        ARG  32  -3.799  -8.756   4.148
  234    HA   ARG  32           HA       ARG  32  -4.533  -9.349   7.007
  235   1HB   ARG  32          1HB       ARG  32  -5.875  -9.477   4.723
  236   2HB   ARG  32          2HB       ARG  32  -5.128 -11.061   4.527
  237   1HG   ARG  32          1HG       ARG  32  -7.314 -11.402   5.550
  238   2HG   ARG  32          2HG       ARG  32  -6.115 -11.704   6.820
  239   1HD   ARG  32          1HD       ARG  32  -7.567 -10.279   8.017
  240   2HD   ARG  32          2HD       ARG  32  -6.437  -9.070   7.367
  241    HE   ARG  32           HE       ARG  32  -8.246  -8.202   6.033
  242   1HH1  ARG  32          2HH1      ARG  32  -8.979 -11.533   6.694
  243   2HH1  ARG  32          1HH1      ARG  32 -10.577 -11.433   5.815
  244   1HH2  ARG  32          1HH2      ARG  32 -10.059  -8.124   5.063
  245   2HH2  ARG  32          2HH2      ARG  32 -11.155  -9.579   4.975
  246    H    ALA  33           H        ALA  33  -2.389 -10.745   4.543
  247    HA   ALA  33           HA       ALA  33  -1.156 -12.680   6.573
  248   1HB   ALA  33          1HB       ALA  33  -3.119 -13.746   5.473
  249   2HB   ALA  33          2HB       ALA  33  -2.437 -13.413   3.857
  250   3HB   ALA  33          3HB       ALA  33  -1.620 -14.541   4.961
  251    H    THR  34           H        THR  34   0.821 -13.829   5.790
  252    HA   THR  34           HA       THR  34   2.544 -12.086   4.024
  253    HB   THR  34           HB       THR  34   3.569 -12.539   6.867
  254    HG1  THR  34           HG1      THR  34   1.798 -10.573   5.938
  255   1HG2  THR  34          2HG2      THR  34   5.125 -11.770   4.958
  256   2HG2  THR  34          3HG2      THR  34   4.126 -10.302   4.792
  257   3HG2  THR  34          1HG2      THR  34   5.021 -10.593   6.293
  258    H    GLY  35           H        GLY  35   4.483 -13.095   3.416
  259   1HA   GLY  35          1HA       GLY  35   6.210 -14.777   3.158
  260   2HA   GLY  35          2HA       GLY  35   5.763 -15.262   4.798
  261   1HN   NH2  36          1HN       NH2  36   6.672 -17.372   3.669
  262   2HN   NH2  36          2HN       NH2  36   5.405 -18.465   3.049
  263   1H    ACE  37          1HH3      ACE  37 -12.346  -3.910  13.996
  264   2H    ACE  37          2HH3      ACE  37 -10.603  -4.267  13.742
  265   3H    ACE  37          3HH3      ACE  37 -11.099  -2.963  14.851
  266    H    VAL  38           H        VAL  38 -11.703  -3.907  11.452
  267    HA   VAL  38           HA       VAL  38 -12.165  -1.142  10.538
  268    HB   VAL  38           HB       VAL  38  -9.885  -0.635  10.572
  269   1HG1  VAL  38          1HG1      VAL  38  -9.223  -3.428   9.382
  270   2HG1  VAL  38          2HG1      VAL  38  -8.026  -2.135   9.622
  271   3HG1  VAL  38          3HG1      VAL  38  -8.838  -2.855  11.015
  272   1HG2  VAL  38          1HG2      VAL  38 -10.823  -0.101   8.280
  273   2HG2  VAL  38          2HG2      VAL  38  -9.096  -0.509   8.173
  274   3HG2  VAL  38          3HG2      VAL  38 -10.327  -1.705   7.697
  275    H    THR  39           H        THR  39 -13.126  -1.172   8.439
  276    HA   THR  39           HA       THR  39 -14.432  -3.898   7.978
  277    HB   THR  39           HB       THR  39 -15.955  -2.164   6.465
  278    HG1  THR  39           HG1      THR  39 -15.162  -0.280   7.136
  279   1HG2  THR  39          2HG2      THR  39 -16.264  -2.762   9.492
  280   2HG2  THR  39          3HG2      THR  39 -17.571  -2.217   8.412
  281   3HG2  THR  39          1HG2      THR  39 -16.817  -3.805   8.161
  282    H    GLU  40           H        GLU  40 -15.313  -3.651   5.406
  283    HA   GLU  40           HA       GLU  40 -12.954  -3.560   3.556
  284   1HB   GLU  40          1HB       GLU  40 -15.439  -4.803   3.467
  285   2HB   GLU  40          2HB       GLU  40 -15.658  -3.526   2.310
  286   1HG   GLU  40          1HG       GLU  40 -13.091  -5.108   1.937
  287   2HG   GLU  40          2HG       GLU  40 -14.565  -6.034   1.719
  288    H    GLU  41           H        GLU  41 -15.607  -1.340   4.323
  289    HA   GLU  41           HA       GLU  41 -15.110   0.648   2.335
  290   1HB   GLU  41          1HB       GLU  41 -16.294   1.072   5.115
  291   2HB   GLU  41          2HB       GLU  41 -16.359   2.250   3.840
  292   1HG   GLU  41          1HG       GLU  41 -17.560  -0.540   3.330
  293   2HG   GLU  41          2HG       GLU  41 -18.452   0.613   4.306
  294    H    ASP  42           H        ASP  42 -13.285   0.215   5.284
  295    HA   ASP  42           HA       ASP  42 -11.827   2.756   5.165
  296   1HB   ASP  42          1HB       ASP  42 -11.486   0.131   6.701
  297   2HB   ASP  42          2HB       ASP  42 -10.227   1.353   6.804
  298    H    ILE  43           H        ILE  43 -10.953  -0.456   3.939
  299    HA   ILE  43           HA       ILE  43  -8.412   0.315   2.558
  300    HB   ILE  43           HB       ILE  43 -10.369  -1.986   2.144
  301   1HG1  ILE  43          1HG1      ILE  43  -7.377  -2.411   2.547
  302   2HG1  ILE  43          2HG1      ILE  43  -8.276  -1.837   3.925
  303   1HG2  ILE  43          1HG2      ILE  43  -9.590  -1.380  -0.181
  304   2HG2  ILE  43          2HG2      ILE  43  -7.896  -1.414   0.349
  305   3HG2  ILE  43          3HG2      ILE  43  -8.868  -2.907   0.307
  306   1HD1  ILE  43          1HD1      ILE  43  -9.883  -3.787   3.790
  307   2HD1  ILE  43          2HD1      ILE  43  -8.897  -4.482   2.477
  308   3HD1  ILE  43          3HD1      ILE  43  -8.195  -4.256   4.093
  309    H    GLU  44           H        GLU  44 -11.863   0.374   1.613
  310    HA   GLU  44           HA       GLU  44 -11.309   1.100  -1.241
  311   1HB   GLU  44          1HB       GLU  44 -13.679   0.339   0.349
  312   2HB   GLU  44          2HB       GLU  44 -14.038   1.607  -0.784
  313   1HG   GLU  44          1HG       GLU  44 -12.510  -0.674  -2.043
  314   2HG   GLU  44          2HG       GLU  44 -14.048  -1.164  -1.356
  315    H    ASP  45           H        ASP  45 -12.025   2.870   1.691
  316    HA   ASP  45           HA       ASP  45 -12.348   5.547   0.366
  317   1HB   ASP  45          1HB       ASP  45 -12.149   4.609   3.286
  318   2HB   ASP  45          2HB       ASP  45 -12.149   6.321   2.883
  319    H    LEU  46           H        LEU  46  -9.658   3.810   1.900
  320    HA   LEU  46           HA       LEU  46  -7.570   5.855   1.321
  321   1HB   LEU  46          1HB       LEU  46  -7.353   3.971   2.949
  322   2HB   LEU  46          2HB       LEU  46  -7.341   2.803   1.649
  323    HG   LEU  46           HG       LEU  46  -5.180   4.946   1.539
  324   1HD1  LEU  46          1HD1      LEU  46  -5.430   2.912   3.799
  325   2HD1  LEU  46          2HD1      LEU  46  -3.823   3.253   3.096
  326   3HD1  LEU  46          3HD1      LEU  46  -4.769   4.573   3.798
  327   1HD2  LEU  46          1HD2      LEU  46  -5.522   2.079   0.594
  328   2HD2  LEU  46          2HD2      LEU  46  -4.663   3.456  -0.158
  329   3HD2  LEU  46          3HD2      LEU  46  -3.895   2.562   1.155
  330    H    MET  47           H        MET  47  -8.236   2.859  -0.566
  331    HA   MET  47           HA       MET  47  -7.023   3.996  -3.021
  332   1HB   MET  47          1HB       MET  47  -7.208   1.501  -2.320
  333   2HB   MET  47          2HB       MET  47  -8.876   1.556  -2.867
  334   1HG   MET  47          1HG       MET  47  -7.536   0.646  -4.707
  335   2HG   MET  47          2HG       MET  47  -8.112   2.249  -5.198
  336   1HE   MET  47          1HE       MET  47  -5.629   0.260  -6.099
  337   2HE   MET  47          2HE       MET  47  -6.079   1.696  -7.063
  338   3HE   MET  47          3HE       MET  47  -4.379   1.466  -6.561
  339    H    LYS  48           H        LYS  48  -9.913   4.964  -1.665
  340    HA   LYS  48           HA       LYS  48 -10.849   6.000  -4.361
  341   1HB   LYS  48          1HB       LYS  48 -12.611   5.383  -2.933
  342   2HB   LYS  48          2HB       LYS  48 -11.927   6.076  -1.496
  343   1HG   LYS  48          1HG       LYS  48 -13.105   7.686  -3.900
  344   2HG   LYS  48          2HG       LYS  48 -13.980   7.289  -2.455
  345   1HD   LYS  48          1HD       LYS  48 -11.981   8.525  -1.159
  346   2HD   LYS  48          2HD       LYS  48 -11.671   9.320  -2.667
  347   1HE   LYS  48          1HE       LYS  48 -13.216  10.882  -1.797
  348   2HE   LYS  48          2HE       LYS  48 -14.402   9.801  -2.507
  349   1HZ   LYS  48          1HZ       LYS  48 -13.496   9.062   0.229
  350   2HZ   LYS  48          2HZ       LYS  48 -14.414  10.353   0.187
  351   3HZ   LYS  48          3HZ       LYS  48 -14.999   8.915  -0.389
  352    H    ASP  49           H        ASP  49  -9.166   7.153  -1.449
  353    HA   ASP  49           HA       ASP  49  -9.361  10.075  -2.200
  354   1HB   ASP  49          1HB       ASP  49  -9.411   9.231   0.215
  355   2HB   ASP  49          2HB       ASP  49  -7.715   8.791   0.073
  356    H    SER  50           H        SER  50  -6.685   7.707  -1.989
  357    HA   SER  50           HA       SER  50  -4.756   9.410  -3.535
  358   1HB   SER  50          1HB       SER  50  -3.176   7.886  -2.855
  359   2HB   SER  50          2HB       SER  50  -4.422   7.334  -1.739
  360    HG   SER  50           HG       SER  50  -3.275   5.793  -3.260
  361    H    ASP  51           H        ASP  51  -7.225   7.106  -4.371
  362    HA   ASP  51           HA       ASP  51  -6.247   6.468  -7.075
  363   1HB   ASP  51          1HB       ASP  51  -7.741   5.012  -5.620
  364   2HB   ASP  51          2HB       ASP  51  -9.081   6.115  -5.902
  365    H    LYS  52           H        LYS  52  -6.490   9.409  -6.614
  366    HA   LYS  52           HA       LYS  52  -9.138  10.444  -7.588
  367   1HB   LYS  52          1HB       LYS  52  -8.399  12.491  -6.928
  368   2HB   LYS  52          2HB       LYS  52  -7.426  11.518  -5.869
  369   1HG   LYS  52          1HG       LYS  52  -6.117  12.240  -8.540
  370   2HG   LYS  52          2HG       LYS  52  -6.544  13.604  -7.557
  371   1HD   LYS  52          1HD       LYS  52  -5.309  12.506  -5.558
  372   2HD   LYS  52          2HD       LYS  52  -4.628  11.341  -6.645
  373   1HE   LYS  52          1HE       LYS  52  -2.880  12.901  -6.843
  374   2HE   LYS  52          2HE       LYS  52  -3.940  13.713  -7.993
  375   1HZ   LYS  52          1HZ       LYS  52  -4.934  14.755  -5.624
  376   2HZ   LYS  52          2HZ       LYS  52  -3.332  14.608  -5.229
  377   3HZ   LYS  52          3HZ       LYS  52  -3.840  15.474  -6.516
  378    H    ASN  53           H        ASN  53  -5.851  10.167  -8.944
  379    HA   ASN  53           HA       ASN  53  -6.393  11.557 -11.425
  380   1HB   ASN  53          1HB       ASN  53  -4.116  10.652 -12.144
  381   2HB   ASN  53          2HB       ASN  53  -4.116  11.410 -10.576
  382   1HD2  ASN  53          1HD2      ASN  53  -3.037   8.445  -8.944
  383   2HD2  ASN  53          2HD2      ASN  53  -3.651  10.147  -8.748
  384    H    ASN  54           H        ASN  54  -7.738   8.648 -10.714
  385    HA   ASN  54           HA       ASN  54  -8.721   6.850 -11.964
  386   1HB   ASN  54          1HB       ASN  54  -8.472   9.092 -14.067
  387   2HB   ASN  54          2HB       ASN  54  -9.107   7.536 -14.522
  388   1HD2  ASN  54          1HD2      ASN  54 -11.831   9.919 -13.346
  389   2HD2  ASN  54          2HD2      ASN  54 -10.373  10.188 -14.401
  390    H    ASP  55           H        ASP  55  -5.789   6.798 -11.662
  391    HA   ASP  55           HA       ASP  55  -5.469   4.472 -13.637
  392   1HB   ASP  55          1HB       ASP  55  -3.394   6.088 -12.050
  393   2HB   ASP  55          2HB       ASP  55  -3.004   4.490 -12.671
  394    H    GLY  56           H        GLY  56  -7.063   3.252 -12.520
  395   1HA   GLY  56          1HA       GLY  56  -7.150   2.579  -9.627
  396   2HA   GLY  56          2HA       GLY  56  -7.920   1.653 -10.921
  397    H    ARG  57           H        ARG  57  -4.885   1.504 -12.057
  398    HA   ARG  57           HA       ARG  57  -3.705  -0.287  -9.869
  399   1HB   ARG  57          1HB       ARG  57  -3.347  -0.127 -12.894
  400   2HB   ARG  57          2HB       ARG  57  -2.046  -0.803 -11.915
  401   1HG   ARG  57          1HG       ARG  57  -3.249  -2.772 -12.325
  402   2HG   ARG  57          2HG       ARG  57  -4.061  -2.287 -10.838
  403   1HD   ARG  57          1HD       ARG  57  -5.823  -2.859 -12.446
  404   2HD   ARG  57          2HD       ARG  57  -5.852  -1.107 -12.258
  405    HE   ARG  57           HE       ARG  57  -3.965  -1.337 -14.347
  406   1HH1  ARG  57          2HH1      ARG  57  -7.150  -2.679 -14.094
  407   2HH1  ARG  57          1HH1      ARG  57  -7.409  -2.534 -15.910
  408   1HH2  ARG  57          1HH2      ARG  57  -4.276  -1.211 -16.310
  409   2HH2  ARG  57          2HH2      ARG  57  -5.817  -1.789 -17.115
  410    H    ILE  58           H        ILE  58  -1.610  -0.036  -9.119
  411    HA   ILE  58           HA       ILE  58  -0.862   2.903  -8.928
  412    HB   ILE  58           HB       ILE  58  -0.551   0.588  -6.955
  413   1HG1  ILE  58          1HG1      ILE  58  -2.182   3.214  -6.806
  414   2HG1  ILE  58          2HG1      ILE  58  -2.835   1.615  -7.032
  415   1HG2  ILE  58          1HG2      ILE  58   1.508   2.048  -6.733
  416   2HG2  ILE  58          2HG2      ILE  58   0.488   3.487  -6.540
  417   3HG2  ILE  58          3HG2      ILE  58   0.484   2.203  -5.309
  418   1HD1  ILE  58          1HD1      ILE  58  -2.022   0.874  -4.748
  419   2HD1  ILE  58          2HD1      ILE  58  -1.465   2.538  -4.435
  420   3HD1  ILE  58          3HD1      ILE  58  -3.193   2.215  -4.702
  421    H    ASP  59           H        ASP  59   1.225   3.668  -9.114
  422    HA   ASP  59           HA       ASP  59   3.502   1.693  -9.640
  423   1HB   ASP  59          1HB       ASP  59   4.668   3.560 -10.775
  424   2HB   ASP  59          2HB       ASP  59   3.062   3.336 -11.454
  425    H    PHE  60           H        PHE  60   5.681   3.302  -9.012
  426    HA   PHE  60           HA       PHE  60   5.943   2.522  -6.134
  427   1HB   PHE  60          1HB       PHE  60   7.736   2.379  -8.039
  428   2HB   PHE  60          2HB       PHE  60   7.997   4.075  -7.807
  429    HD1  PHE  60           HD1      PHE  60   7.245   2.264  -4.708
  430    HD2  PHE  60           HD2      PHE  60  10.421   3.525  -7.310
  431    HE1  PHE  60           HE1      PHE  60   8.881   1.769  -2.947
  432    HE2  PHE  60           HE2      PHE  60  12.059   3.055  -5.522
  433    HZ   PHE  60           HZ       PHE  60  11.296   2.111  -3.358
  434    H    ASP  61           H        ASP  61   5.295   5.547  -7.767
  435    HA   ASP  61           HA       ASP  61   5.933   7.539  -5.661
  436   1HB   ASP  61          1HB       ASP  61   5.355   8.560  -7.731
  437   2HB   ASP  61          2HB       ASP  61   4.166   7.341  -8.147
  438    H    GLU  62           H        GLU  62   2.708   6.787  -6.660
  439    HA   GLU  62           HA       GLU  62   0.938   6.858  -4.471
  440   1HB   GLU  62          1HB       GLU  62   1.177   4.742  -6.642
  441   2HB   GLU  62          2HB       GLU  62  -0.087   4.659  -5.453
  442   1HG   GLU  62          1HG       GLU  62  -0.832   5.740  -7.634
  443   2HG   GLU  62          2HG       GLU  62  -1.105   6.786  -6.248
  444    H    PHE  63           H        PHE  63   3.506   4.461  -4.792
  445    HA   PHE  63           HA       PHE  63   2.576   2.598  -2.609
  446   1HB   PHE  63          1HB       PHE  63   4.206   2.040  -4.539
  447   2HB   PHE  63          2HB       PHE  63   5.425   2.949  -3.711
  448    HD1  PHE  63           HD1      PHE  63   3.055   0.125  -2.775
  449    HD2  PHE  63           HD2      PHE  63   6.955   1.868  -2.247
  450    HE1  PHE  63           HE1      PHE  63   3.755  -1.821  -1.480
  451    HE2  PHE  63           HE2      PHE  63   7.639  -0.103  -0.941
  452    HZ   PHE  63           HZ       PHE  63   6.082  -2.005  -0.656
  453    H    LEU  64           H        LEU  64   5.289   4.921  -2.729
  454    HA   LEU  64           HA       LEU  64   5.838   5.246   0.060
  455   1HB   LEU  64          1HB       LEU  64   6.085   7.235  -2.250
  456   2HB   LEU  64          2HB       LEU  64   6.623   7.659  -0.646
  457    HG   LEU  64           HG       LEU  64   7.691   5.183  -2.133
  458   1HD1  LEU  64          1HD1      LEU  64   8.805   8.075  -2.125
  459   2HD1  LEU  64          2HD1      LEU  64   9.699   6.640  -2.695
  460   3HD1  LEU  64          3HD1      LEU  64   8.213   7.126  -3.516
  461   1HD2  LEU  64          1HD2      LEU  64   8.786   6.761   0.310
  462   2HD2  LEU  64          2HD2      LEU  64   8.173   5.082   0.304
  463   3HD2  LEU  64          3HD2      LEU  64   9.671   5.477  -0.551
  464    H    LYS  65           H        LYS  65   3.338   7.074  -1.752
  465    HA   LYS  65           HA       LYS  65   2.163   8.464   0.541
  466   1HB   LYS  65          1HB       LYS  65   1.560   7.714  -2.296
  467   2HB   LYS  65          2HB       LYS  65   0.115   8.046  -1.360
  468   1HG   LYS  65          1HG       LYS  65   2.036  10.229  -0.907
  469   2HG   LYS  65          2HG       LYS  65   2.020   9.861  -2.642
  470   1HD   LYS  65          1HD       LYS  65  -0.190  10.433  -2.957
  471   2HD   LYS  65          2HD       LYS  65  -0.727   9.886  -1.366
  472   1HE   LYS  65          1HE       LYS  65   0.994  12.433  -1.547
  473   2HE   LYS  65          2HE       LYS  65  -0.656  12.510  -2.189
  474   1HZ   LYS  65          1HZ       LYS  65  -1.366  11.412   0.098
  475   2HZ   LYS  65          2HZ       LYS  65   0.106  11.870   0.681
  476   3HZ   LYS  65          3HZ       LYS  65  -0.967  12.969   0.137
  477    H    MET  66           H        MET  66   1.501   5.228  -0.799
  478    HA   MET  66           HA       MET  66  -0.784   4.600   0.871
  479   1HB   MET  66          1HB       MET  66  -0.632   3.383  -1.141
  480   2HB   MET  66          2HB       MET  66   1.072   3.031  -0.943
  481   1HG   MET  66          1HG       MET  66   0.733   1.063   0.206
  482   2HG   MET  66          2HG       MET  66  -0.616   1.701   1.166
  483   1HE   MET  66          1HE       MET  66   0.457   0.774  -2.542
  484   2HE   MET  66          2HE       MET  66  -1.136   0.767  -3.354
  485   3HE   MET  66          3HE       MET  66  -0.485   2.291  -2.677
  486    H    MET  67           H        MET  67   2.644   3.717   1.415
  487    HA   MET  67           HA       MET  67   2.239   2.663   4.196
  488   1HB   MET  67          1HB       MET  67   4.554   3.312   2.427
  489   2HB   MET  67          2HB       MET  67   4.821   3.849   4.074
  490   1HG   MET  67          1HG       MET  67   4.753   1.661   5.011
  491   2HG   MET  67          2HG       MET  67   3.841   0.975   3.652
  492   1HE   MET  67          1HE       MET  67   5.676  -0.996   3.883
  493   2HE   MET  67          2HE       MET  67   7.433  -0.773   3.627
  494   3HE   MET  67          3HE       MET  67   6.644  -0.090   5.086
  495    H    GLU  68           H        GLU  68   3.944   5.712   3.327
  496    HA   GLU  68           HA       GLU  68   3.818   6.596   6.118
  497   1HB   GLU  68          1HB       GLU  68   5.503   7.112   4.099
  498   2HB   GLU  68          2HB       GLU  68   4.549   8.554   3.930
  499   1HG   GLU  68          1HG       GLU  68   6.228   7.723   6.392
  500   2HG   GLU  68          2HG       GLU  68   6.511   9.088   5.328
  501    H    GLY  69           H        GLY  69   2.062   7.893   3.296
  502   1HA   GLY  69          1HA       GLY  69  -0.257   8.585   3.133
  503   2HA   GLY  69          2HA       GLY  69  -0.451   7.562   4.563
  504    H    VAL  70           H        VAL  70  -0.495   8.502   6.631
  505    HA   VAL  70           HA       VAL  70  -2.703  10.268   6.573
  506    HB   VAL  70           HB       VAL  70  -0.900   9.598   8.955
  507   1HG1  VAL  70          1HG1      VAL  70  -3.652  11.031   9.031
  508   2HG1  VAL  70          2HG1      VAL  70  -2.808  10.363  10.452
  509   3HG1  VAL  70          3HG1      VAL  70  -2.096  11.712   9.565
  510   1HG2  VAL  70          1HG2      VAL  70  -2.183   7.645   7.992
  511   2HG2  VAL  70          2HG2      VAL  70  -2.750   8.036   9.609
  512   3HG2  VAL  70          3HG2      VAL  70  -3.716   8.523   8.184
  513    H    GLN  71           H        GLN  71  -2.423  12.126   5.448
  514    HA   GLN  71           HA       GLN  71  -0.942  14.530   5.879
  515   1HB   GLN  71          1HB       GLN  71  -3.984  14.615   5.956
  516   2HB   GLN  71          2HB       GLN  71  -2.854  15.736   5.201
  517   1HG   GLN  71          1HG       GLN  71  -2.215  13.632   3.650
  518   2HG   GLN  71          2HG       GLN  71  -3.723  12.933   4.210
  519   1HE2  GLN  71          1HE2      GLN  71  -5.549  15.668   2.437
  520   2HE2  GLN  71          2HE2      GLN  71  -5.401  15.110   4.193
  521   1HN   NH2  72          1HN       NH2  72  -0.064  15.297   7.785
  522   2HN   NH2  72          2HN       NH2  72  -0.956  15.489   9.318
   
  No H/Q in entry =         522
  Start of MODEL   35
    1   1H    ACE   1          1HH3      ACE   1  20.602   3.429  -4.583
    2   2H    ACE   1          2HH3      ACE   1  22.369   3.724  -4.409
    3   3H    ACE   1          3HH3      ACE   1  21.720   2.060  -4.400
    4    H    LYS   2           H        LYS   2  21.148   5.115  -2.630
    5    HA   LYS   2           HA       LYS   2  20.444   3.549  -0.156
    6   1HB   LYS   2          1HB       LYS   2  21.753   5.309   1.272
    7   2HB   LYS   2          2HB       LYS   2  22.603   3.905   0.664
    8   1HG   LYS   2          1HG       LYS   2  23.761   5.299  -1.064
    9   2HG   LYS   2          2HG       LYS   2  22.611   6.598  -0.880
   10   1HD   LYS   2          1HD       LYS   2  24.978   6.919   0.185
   11   2HD   LYS   2          2HD       LYS   2  23.594   7.387   1.176
   12   1HE   LYS   2          1HE       LYS   2  23.620   5.208   2.389
   13   2HE   LYS   2          2HE       LYS   2  24.953   4.591   1.395
   14   1HZ   LYS   2          1HZ       LYS   2  25.364   7.215   2.873
   15   2HZ   LYS   2          2HZ       LYS   2  25.700   5.774   3.631
   16   3HZ   LYS   2          3HZ       LYS   2  26.454   6.257   2.285
   17    H    SER   3           H        SER   3  18.700   4.678  -1.827
   18    HA   SER   3           HA       SER   3  17.375   6.913  -0.223
   19   1HB   SER   3          1HB       SER   3  18.703   7.136  -2.917
   20   2HB   SER   3          2HB       SER   3  17.187   7.990  -2.759
   21    HG   SER   3           HG       SER   3  18.017   9.021  -0.864
   22    H    GLU   4           H        GLU   4  16.814   5.620  -3.494
   23    HA   GLU   4           HA       GLU   4  13.960   4.839  -2.755
   24   1HB   GLU   4          1HB       GLU   4  14.595   4.350  -5.564
   25   2HB   GLU   4          2HB       GLU   4  13.225   5.073  -4.757
   26   1HG   GLU   4          1HG       GLU   4  14.073   7.304  -5.014
   27   2HG   GLU   4          2HG       GLU   4  15.755   6.789  -5.069
   28    H    GLU   5           H        GLU   5  17.052   3.465  -3.069
   29    HA   GLU   5           HA       GLU   5  16.487   1.015  -4.400
   30   1HB   GLU   5          1HB       GLU   5  18.741   2.241  -3.681
   31   2HB   GLU   5          2HB       GLU   5  18.744   1.079  -2.388
   32   1HG   GLU   5          1HG       GLU   5  18.347  -0.164  -5.122
   33   2HG   GLU   5          2HG       GLU   5  19.877   0.672  -4.931
   34    H    GLU   6           H        GLU   6  16.380   1.489  -0.884
   35    HA   GLU   6           HA       GLU   6  15.723  -1.341  -0.319
   36   1HB   GLU   6          1HB       GLU   6  16.928   0.578   1.123
   37   2HB   GLU   6          2HB       GLU   6  15.334   0.788   1.785
   38   1HG   GLU   6          1HG       GLU   6  17.112  -0.871   2.953
   39   2HG   GLU   6          2HG       GLU   6  15.402  -1.259   2.988
   40    H    LEU   7           H        LEU   7  13.715   1.597  -0.219
   41    HA   LEU   7           HA       LEU   7  11.076   0.219   0.183
   42   1HB   LEU   7          1HB       LEU   7  11.775   2.970  -0.981
   43   2HB   LEU   7          2HB       LEU   7  10.138   2.407  -0.748
   44    HG   LEU   7           HG       LEU   7  11.470   3.960   1.058
   45   1HD1  LEU   7          1HD1      LEU   7   9.030   3.475   1.052
   46   2HD1  LEU   7          2HD1      LEU   7   9.306   1.857   1.745
   47   3HD1  LEU   7          3HD1      LEU   7   9.682   3.321   2.690
   48   1HD2  LEU   7          1HD2      LEU   7  11.858   1.061   2.114
   49   2HD2  LEU   7          2HD2      LEU   7  13.141   2.252   1.765
   50   3HD2  LEU   7          3HD2      LEU   7  12.018   2.542   3.096
   51    H    ALA   8           H        ALA   8  13.203   0.667  -2.566
   52    HA   ALA   8           HA       ALA   8  11.283  -0.324  -4.576
   53   1HB   ALA   8          1HB       ALA   8  14.372  -0.123  -4.582
   54   2HB   ALA   8          2HB       ALA   8  13.365  -0.439  -6.010
   55   3HB   ALA   8          3HB       ALA   8  13.218   1.103  -5.158
   56    H    ASN   9           H        ASN   9  14.162  -2.128  -3.256
   57    HA   ASN   9           HA       ASN   9  13.419  -4.797  -3.713
   58   1HB   ASN   9          1HB       ASN   9  14.554  -3.610  -1.086
   59   2HB   ASN   9          2HB       ASN   9  14.498  -5.319  -1.420
   60   1HD2  ASN   9          1HD2      ASN   9  17.010  -4.707  -4.169
   61   2HD2  ASN   9          2HD2      ASN   9  15.282  -5.280  -4.169
   62    H    ALA  10           H        ALA  10  12.057  -2.867  -1.031
   63    HA   ALA  10           HA       ALA  10  10.232  -4.963  -0.057
   64   1HB   ALA  10          1HB       ALA  10  11.222  -3.139   1.338
   65   2HB   ALA  10          2HB       ALA  10  10.250  -1.913   0.483
   66   3HB   ALA  10          3HB       ALA  10   9.453  -3.152   1.477
   67    H    PHE  11           H        PHE  11   9.532  -2.077  -2.095
   68    HA   PHE  11           HA       PHE  11   6.732  -2.588  -2.609
   69   1HB   PHE  11          1HB       PHE  11   7.904  -0.469  -3.138
   70   2HB   PHE  11          2HB       PHE  11   8.852  -1.242  -4.364
   71    HD1  PHE  11           HD1      PHE  11   5.081  -1.547  -3.891
   72    HD2  PHE  11           HD2      PHE  11   8.307  -0.201  -6.400
   73    HE1  PHE  11           HE1      PHE  11   3.461  -0.691  -5.536
   74    HE2  PHE  11           HE2      PHE  11   6.672   0.653  -8.028
   75    HZ   PHE  11           HZ       PHE  11   4.258   0.482  -7.565
   76    H    ARG  12           H        ARG  12   9.496  -3.765  -4.629
   77    HA   ARG  12           HA       ARG  12   8.005  -5.682  -6.160
   78   1HB   ARG  12          1HB       ARG  12  10.437  -5.004  -6.481
   79   2HB   ARG  12          2HB       ARG  12  10.890  -6.065  -5.152
   80   1HG   ARG  12          1HG       ARG  12   9.363  -7.798  -6.782
   81   2HG   ARG  12          2HG       ARG  12  10.109  -6.748  -7.993
   82   1HD   ARG  12          1HD       ARG  12  11.931  -7.841  -5.798
   83   2HD   ARG  12          2HD       ARG  12  11.352  -8.989  -7.037
   84    HE   ARG  12           HE       ARG  12  13.200  -6.654  -7.527
   85   1HH1  ARG  12          2HH1      ARG  12  11.135  -8.994  -9.031
   86   2HH1  ARG  12          1HH1      ARG  12  11.961  -8.802 -10.652
   87   1HH2  ARG  12          1HH2      ARG  12  14.112  -6.455  -9.342
   88   2HH2  ARG  12          2HH2      ARG  12  13.593  -7.428 -10.795
   89    H    ILE  13           H        ILE  13   9.201  -6.046  -2.839
   90    HA   ILE  13           HA       ILE  13   8.793  -9.001  -2.669
   91    HB   ILE  13           HB       ILE  13   9.476  -6.875  -0.582
   92   1HG1  ILE  13          1HG1      ILE  13  11.247  -7.978  -2.320
   93   2HG1  ILE  13          2HG1      ILE  13  11.684  -7.538  -0.691
   94   1HG2  ILE  13          1HG2      ILE  13   8.098  -8.614   0.624
   95   2HG2  ILE  13          2HG2      ILE  13   9.127  -9.914  -0.022
   96   3HG2  ILE  13          3HG2      ILE  13   9.773  -8.731   1.133
   97   1HD1  ILE  13          1HD1      ILE  13  11.376  -9.895   0.136
   98   2HD1  ILE  13          2HD1      ILE  13  10.989 -10.420  -1.521
   99   3HD1  ILE  13          3HD1      ILE  13  12.596  -9.766  -1.151
  100    H    PHE  14           H        PHE  14   6.886  -6.155  -1.893
  101    HA   PHE  14           HA       PHE  14   4.588  -7.542  -0.598
  102   1HB   PHE  14          1HB       PHE  14   4.973  -4.782  -1.901
  103   2HB   PHE  14          2HB       PHE  14   3.383  -5.314  -1.462
  104    HD1  PHE  14           HD1      PHE  14   3.861  -6.717   1.189
  105    HD2  PHE  14           HD2      PHE  14   5.490  -3.058  -0.361
  106    HE1  PHE  14           HE1      PHE  14   4.168  -5.879   3.484
  107    HE2  PHE  14           HE2      PHE  14   5.816  -2.234   1.937
  108    HZ   PHE  14           HZ       PHE  14   5.101  -3.624   3.866
  109    H    ASP  15           H        ASP  15   5.138  -6.366  -3.937
  110    HA   ASP  15           HA       ASP  15   2.633  -7.295  -5.043
  111   1HB   ASP  15          1HB       ASP  15   4.024  -5.486  -6.015
  112   2HB   ASP  15          2HB       ASP  15   5.301  -6.617  -6.435
  113    H    LYS  16           H        LYS  16   1.923  -9.157  -6.074
  114    HA   LYS  16           HA       LYS  16   3.195 -11.587  -4.845
  115   1HB   LYS  16          1HB       LYS  16   1.131 -12.485  -4.809
  116   2HB   LYS  16          2HB       LYS  16   0.533 -10.909  -5.249
  117   1HG   LYS  16          1HG       LYS  16  -0.211 -11.687  -7.317
  118   2HG   LYS  16          2HG       LYS  16   1.308 -12.508  -7.652
  119   1HD   LYS  16          1HD       LYS  16  -0.592 -13.743  -5.593
  120   2HD   LYS  16          2HD       LYS  16  -1.000 -13.840  -7.305
  121   1HE   LYS  16          1HE       LYS  16   1.779 -14.677  -7.064
  122   2HE   LYS  16          2HE       LYS  16   0.821 -15.599  -5.887
  123   1HZ   LYS  16          1HZ       LYS  16  -0.446 -15.200  -8.576
  124   2HZ   LYS  16          2HZ       LYS  16   0.866 -16.164  -8.565
  125   3HZ   LYS  16          3HZ       LYS  16  -0.445 -16.578  -7.664
  126    H    ASN  17           H        ASN  17   2.453 -10.368  -8.120
  127    HA   ASN  17           HA       ASN  17   4.370 -12.395  -9.315
  128   1HB   ASN  17          1HB       ASN  17   1.922 -12.188 -10.049
  129   2HB   ASN  17          2HB       ASN  17   2.307 -10.657 -10.788
  130   1HD2  ASN  17          1HD2      ASN  17   3.403 -14.025 -12.757
  131   2HD2  ASN  17          2HD2      ASN  17   3.487 -14.060 -10.965
  132    H    ALA  18           H        ALA  18   4.427  -8.979  -8.673
  133    HA   ALA  18           HA       ALA  18   6.439  -7.641  -8.663
  134   1HB   ALA  18          1HB       ALA  18   7.538  -9.819  -8.018
  135   2HB   ALA  18          2HB       ALA  18   7.726 -10.227  -9.738
  136   3HB   ALA  18          3HB       ALA  18   8.597  -8.837  -9.067
  137    H    ASP  19           H        ASP  19   4.651  -7.621 -11.061
  138    HA   ASP  19           HA       ASP  19   6.501  -6.516 -13.133
  139   1HB   ASP  19          1HB       ASP  19   3.444  -6.328 -12.762
  140   2HB   ASP  19          2HB       ASP  19   4.293  -5.661 -14.149
  141    H    GLY  20           H        GLY  20   6.422  -5.446 -10.215
  142   1HA   GLY  20          1HA       GLY  20   6.788  -3.337  -9.079
  143   2HA   GLY  20          2HA       GLY  20   7.084  -2.665 -10.687
  144    H    TYR  21           H        TYR  21   3.933  -3.989  -9.855
  145    HA   TYR  21           HA       TYR  21   2.798  -1.181  -9.270
  146   1HB   TYR  21          1HB       TYR  21   1.938  -3.167 -11.269
  147   2HB   TYR  21          2HB       TYR  21   0.670  -2.959 -10.097
  148    HD1  TYR  21           HD1      TYR  21   2.868  -0.035 -10.906
  149    HD2  TYR  21           HD2      TYR  21  -0.846  -2.028 -11.763
  150    HE1  TYR  21           HE1      TYR  21   2.021   1.987 -12.046
  151    HE2  TYR  21           HE2      TYR  21  -1.659  -0.003 -12.902
  152    HH   TYR  21           HH       TYR  21  -0.097   2.173 -14.105
  153    H    ILE  22           H        ILE  22   1.248  -1.013  -7.591
  154    HA   ILE  22           HA       ILE  22   0.402  -3.576  -6.128
  155    HB   ILE  22           HB       ILE  22   0.264  -0.663  -5.189
  156   1HG1  ILE  22          1HG1      ILE  22   2.190  -2.904  -4.605
  157   2HG1  ILE  22          2HG1      ILE  22   2.434  -1.179  -4.557
  158   1HG2  ILE  22          1HG2      ILE  22  -1.791  -1.897  -4.363
  159   2HG2  ILE  22          2HG2      ILE  22  -0.770  -3.175  -3.676
  160   3HG2  ILE  22          3HG2      ILE  22  -0.727  -1.519  -3.019
  161   1HD1  ILE  22          1HD1      ILE  22   1.209  -1.013  -2.329
  162   2HD1  ILE  22          2HD1      ILE  22   1.143  -2.793  -2.284
  163   3HD1  ILE  22          3HD1      ILE  22   2.714  -1.966  -2.287
  164    H    ASP  23           H        ASP  23  -1.762  -4.177  -6.042
  165    HA   ASP  23           HA       ASP  23  -3.862  -2.219  -7.111
  166   1HB   ASP  23          1HB       ASP  23  -5.076  -4.190  -8.011
  167   2HB   ASP  23          2HB       ASP  23  -3.435  -4.127  -8.639
  168    H    ILE  24           H        ILE  24  -6.155  -2.917  -6.378
  169    HA   ILE  24           HA       ILE  24  -6.287  -2.275  -3.443
  170    HB   ILE  24           HB       ILE  24  -7.960  -1.529  -5.339
  171   1HG1  ILE  24          1HG1      ILE  24  -8.658  -0.552  -3.354
  172   2HG1  ILE  24          2HG1      ILE  24  -9.968  -1.687  -3.530
  173   1HG2  ILE  24          1HG2      ILE  24  -8.689  -3.834  -6.107
  174   2HG2  ILE  24          2HG2      ILE  24  -9.332  -4.184  -4.491
  175   3HG2  ILE  24          3HG2      ILE  24 -10.068  -2.924  -5.514
  176   1HD1  ILE  24          1HD1      ILE  24  -8.799  -3.353  -1.999
  177   2HD1  ILE  24          2HD1      ILE  24  -7.571  -2.109  -1.655
  178   3HD1  ILE  24          3HD1      ILE  24  -9.268  -1.822  -1.214
  179    H    GLU  25           H        GLU  25  -6.465  -5.152  -5.416
  180    HA   GLU  25           HA       GLU  25  -7.618  -6.898  -3.264
  181   1HB   GLU  25          1HB       GLU  25  -7.917  -8.549  -4.820
  182   2HB   GLU  25          2HB       GLU  25  -8.130  -7.101  -5.757
  183   1HG   GLU  25          1HG       GLU  25  -6.522  -7.772  -7.269
  184   2HG   GLU  25          2HG       GLU  25  -5.306  -7.944  -6.016
  185    H    GLU  26           H        GLU  26  -4.409  -6.152  -4.396
  186    HA   GLU  26           HA       GLU  26  -3.020  -8.099  -2.588
  187   1HB   GLU  26          1HB       GLU  26  -2.031  -5.727  -4.212
  188   2HB   GLU  26          2HB       GLU  26  -0.989  -6.523  -3.072
  189   1HG   GLU  26          1HG       GLU  26  -0.987  -8.622  -4.370
  190   2HG   GLU  26          2HG       GLU  26  -2.353  -8.120  -5.349
  191    H    LEU  27           H        LEU  27  -4.342  -4.901  -2.213
  192    HA   LEU  27           HA       LEU  27  -2.607  -3.809  -0.198
  193   1HB   LEU  27          1HB       LEU  27  -4.147  -2.468  -1.556
  194   2HB   LEU  27          2HB       LEU  27  -5.549  -3.185  -0.805
  195    HG   LEU  27           HG       LEU  27  -3.526  -1.358   0.640
  196   1HD1  LEU  27          1HD1      LEU  27  -4.908  -0.151  -1.052
  197   2HD1  LEU  27          2HD1      LEU  27  -6.414  -0.760  -0.310
  198   3HD1  LEU  27          3HD1      LEU  27  -5.328   0.340   0.587
  199   1HD2  LEU  27          1HD2      LEU  27  -6.225  -2.493   1.690
  200   2HD2  LEU  27          2HD2      LEU  27  -4.595  -2.954   2.266
  201   3HD2  LEU  27          3HD2      LEU  27  -5.180  -1.305   2.519
  202    H    GLY  28           H        GLY  28  -5.960  -4.550   0.768
  203   1HA   GLY  28          1HA       GLY  28  -5.653  -4.894   3.532
  204   2HA   GLY  28          2HA       GLY  28  -6.862  -5.824   2.639
  205    H    GLU  29           H        GLU  29  -4.715  -7.320   1.175
  206    HA   GLU  29           HA       GLU  29  -4.294  -9.603   3.058
  207   1HB   GLU  29          1HB       GLU  29  -3.116  -9.225   0.270
  208   2HB   GLU  29          2HB       GLU  29  -3.095 -10.696   1.195
  209   1HG   GLU  29          1HG       GLU  29  -5.780 -10.540   1.102
  210   2HG   GLU  29          2HG       GLU  29  -5.518  -9.375  -0.184
  211    H    ILE  30           H        ILE  30  -2.174  -7.098   1.712
  212    HA   ILE  30           HA       ILE  30   0.357  -7.799   3.098
  213    HB   ILE  30           HB       ILE  30  -0.737  -5.119   2.110
  214   1HG1  ILE  30          1HG1      ILE  30   0.437  -5.414   0.156
  215   2HG1  ILE  30          2HG1      ILE  30   1.866  -5.975   0.980
  216   1HG2  ILE  30          1HG2      ILE  30   0.746  -4.629   4.089
  217   2HG2  ILE  30          2HG2      ILE  30   2.057  -5.600   3.371
  218   3HG2  ILE  30          3HG2      ILE  30   1.510  -4.085   2.599
  219   1HD1  ILE  30          1HD1      ILE  30  -0.478  -7.870   0.289
  220   2HD1  ILE  30          2HD1      ILE  30   1.080  -7.726  -0.552
  221   3HD1  ILE  30          3HD1      ILE  30   1.035  -8.312   1.123
  222    H    LEU  31           H        LEU  31  -2.282  -5.567   4.026
  223    HA   LEU  31           HA       LEU  31  -1.256  -4.918   6.721
  224   1HB   LEU  31          1HB       LEU  31  -4.230  -4.817   6.242
  225   2HB   LEU  31          2HB       LEU  31  -3.199  -3.675   7.068
  226    HG   LEU  31           HG       LEU  31  -3.744  -3.916   4.079
  227   1HD1  LEU  31          1HD1      LEU  31  -3.782  -1.568   6.093
  228   2HD1  LEU  31          2HD1      LEU  31  -4.133  -1.437   4.349
  229   3HD1  LEU  31          3HD1      LEU  31  -5.183  -2.415   5.379
  230   1HD2  LEU  31          1HD2      LEU  31  -1.313  -2.438   5.320
  231   2HD2  LEU  31          2HD2      LEU  31  -1.262  -3.761   4.122
  232   3HD2  LEU  31          3HD2      LEU  31  -1.918  -2.187   3.662
  233    H    ARG  32           H        ARG  32  -2.940  -7.712   5.564
  234    HA   ARG  32           HA       ARG  32  -3.309  -8.761   8.421
  235   1HB   ARG  32          1HB       ARG  32  -5.230  -8.250   6.786
  236   2HB   ARG  32          2HB       ARG  32  -4.688  -9.600   5.790
  237   1HG   ARG  32          1HG       ARG  32  -4.977 -11.062   7.990
  238   2HG   ARG  32          2HG       ARG  32  -5.784  -9.639   8.674
  239   1HD   ARG  32          1HD       ARG  32  -6.657 -11.023   6.034
  240   2HD   ARG  32          2HD       ARG  32  -7.404 -11.342   7.616
  241    HE   ARG  32           HE       ARG  32  -7.371  -8.433   7.186
  242   1HH1  ARG  32          2HH1      ARG  32  -9.066 -11.229   6.010
  243   2HH1  ARG  32          1HH1      ARG  32 -10.552 -10.248   5.602
  244   1HH2  ARG  32          1HH2      ARG  32  -9.062  -7.362   6.711
  245   2HH2  ARG  32          2HH2      ARG  32 -10.532  -8.169   5.997
  246    H    ALA  33           H        ALA  33  -1.272  -9.211   5.708
  247    HA   ALA  33           HA       ALA  33  -0.579 -11.867   5.469
  248   1HB   ALA  33          1HB       ALA  33   0.574  -9.973   4.331
  249   2HB   ALA  33          2HB       ALA  33   1.428  -9.544   5.838
  250   3HB   ALA  33          3HB       ALA  33   1.761 -11.090   5.026
  251    H    THR  34           H        THR  34   0.045 -10.083   8.436
  252    HA   THR  34           HA       THR  34   1.990 -11.943   9.598
  253    HB   THR  34           HB       THR  34   1.986 -10.597  11.555
  254    HG1  THR  34           HG1      THR  34  -0.148 -10.488  12.095
  255   1HG2  THR  34          2HG2      THR  34   2.672  -9.359   9.397
  256   2HG2  THR  34          3HG2      THR  34   1.029  -8.671   9.321
  257   3HG2  THR  34          1HG2      THR  34   2.091  -8.265  10.680
  258    H    GLY  35           H        GLY  35   1.780 -13.423  11.281
  259   1HA   GLY  35          1HA       GLY  35  -0.385 -13.814  13.055
  260   2HA   GLY  35          2HA       GLY  35  -0.782 -14.949  11.760
  261   1HN   NH2  36          1HN       NH2  36  -0.593 -16.894  12.892
  262   2HN   NH2  36          2HN       NH2  36   0.947 -17.487  13.571
  263   1H    ACE  37          1HH3      ACE  37 -13.588  -5.693  14.071
  264   2H    ACE  37          2HH3      ACE  37 -12.894  -4.135  14.636
  265   3H    ACE  37          3HH3      ACE  37 -14.652  -4.418  14.723
  266    H    VAL  38           H        VAL  38 -11.984  -4.240  12.364
  267    HA   VAL  38           HA       VAL  38 -13.635  -2.606  10.480
  268    HB   VAL  38           HB       VAL  38 -11.408  -2.731   9.067
  269   1HG1  VAL  38          1HG1      VAL  38 -11.556  -1.238  11.787
  270   2HG1  VAL  38          2HG1      VAL  38 -10.378  -0.866  10.507
  271   3HG1  VAL  38          3HG1      VAL  38 -12.104  -0.630  10.215
  272   1HG2  VAL  38          1HG2      VAL  38 -10.248  -4.571  10.366
  273   2HG2  VAL  38          2HG2      VAL  38  -9.329  -3.053  10.469
  274   3HG2  VAL  38          3HG2      VAL  38 -10.328  -3.586  11.843
  275    H    THR  39           H        THR  39 -13.670  -3.110   8.138
  276    HA   THR  39           HA       THR  39 -13.558  -6.044   7.376
  277    HB   THR  39           HB       THR  39 -15.699  -5.788   5.963
  278    HG1  THR  39           HG1      THR  39 -17.212  -4.374   6.734
  279   1HG2  THR  39          2HG2      THR  39 -15.954  -5.769   9.053
  280   2HG2  THR  39          3HG2      THR  39 -17.188  -6.374   7.921
  281   3HG2  THR  39          1HG2      THR  39 -15.618  -7.194   8.042
  282    H    GLU  40           H        GLU  40 -14.169  -5.938   4.775
  283    HA   GLU  40           HA       GLU  40 -11.849  -4.527   3.512
  284   1HB   GLU  40          1HB       GLU  40 -13.998  -5.958   1.929
  285   2HB   GLU  40          2HB       GLU  40 -12.335  -5.688   1.506
  286   1HG   GLU  40          1HG       GLU  40 -12.251  -7.329   3.907
  287   2HG   GLU  40          2HG       GLU  40 -13.534  -7.998   2.916
  288    H    GLU  41           H        GLU  41 -15.391  -4.025   3.436
  289    HA   GLU  41           HA       GLU  41 -15.434  -1.657   1.847
  290   1HB   GLU  41          1HB       GLU  41 -17.611  -1.619   2.246
  291   2HB   GLU  41          2HB       GLU  41 -17.339  -3.146   3.028
  292   1HG   GLU  41          1HG       GLU  41 -17.620  -2.213   5.254
  293   2HG   GLU  41          2HG       GLU  41 -17.291  -0.572   4.731
  294    H    ASP  42           H        ASP  42 -14.303  -1.830   5.168
  295    HA   ASP  42           HA       ASP  42 -13.840   1.095   5.373
  296   1HB   ASP  42          1HB       ASP  42 -13.005  -1.359   7.007
  297   2HB   ASP  42          2HB       ASP  42 -12.303   0.210   7.374
  298    H    ILE  43           H        ILE  43 -11.862  -1.586   4.241
  299    HA   ILE  43           HA       ILE  43  -9.408  -0.029   3.500
  300    HB   ILE  43           HB       ILE  43 -10.567  -2.662   2.486
  301   1HG1  ILE  43          1HG1      ILE  43  -9.347  -3.097   4.506
  302   2HG1  ILE  43          2HG1      ILE  43  -8.268  -3.562   3.219
  303   1HG2  ILE  43          1HG2      ILE  43  -9.569  -1.558   0.446
  304   2HG2  ILE  43          2HG2      ILE  43  -8.054  -1.253   1.319
  305   3HG2  ILE  43          3HG2      ILE  43  -8.566  -2.916   0.935
  306   1HD1  ILE  43          1HD1      ILE  43  -6.982  -1.390   3.404
  307   2HD1  ILE  43          2HD1      ILE  43  -7.970  -0.951   4.823
  308   3HD1  ILE  43          3HD1      ILE  43  -6.931  -2.392   4.872
  309    H    GLU  44           H        GLU  44 -12.602  -0.529   2.084
  310    HA   GLU  44           HA       GLU  44 -11.991   0.830  -0.520
  311   1HB   GLU  44          1HB       GLU  44 -14.308  -0.610   0.646
  312   2HB   GLU  44          2HB       GLU  44 -14.775   0.733  -0.352
  313   1HG   GLU  44          1HG       GLU  44 -12.761  -0.782  -1.860
  314   2HG   GLU  44          2HG       GLU  44 -13.899  -1.939  -1.193
  315    H    ASP  45           H        ASP  45 -13.318   1.821   2.565
  316    HA   ASP  45           HA       ASP  45 -14.068   4.626   1.847
  317   1HB   ASP  45          1HB       ASP  45 -13.565   3.093   4.448
  318   2HB   ASP  45          2HB       ASP  45 -13.657   4.848   4.492
  319    H    LEU  46           H        LEU  46 -11.126   3.164   3.241
  320    HA   LEU  46           HA       LEU  46  -9.593   5.711   3.342
  321   1HB   LEU  46          1HB       LEU  46  -9.266   3.756   4.861
  322   2HB   LEU  46          2HB       LEU  46  -8.634   2.793   3.547
  323    HG   LEU  46           HG       LEU  46  -7.197   5.409   4.249
  324   1HD1  LEU  46          1HD1      LEU  46  -7.715   3.674   6.331
  325   2HD1  LEU  46          2HD1      LEU  46  -6.239   2.932   5.651
  326   3HD1  LEU  46          3HD1      LEU  46  -6.206   4.621   6.177
  327   1HD2  LEU  46          1HD2      LEU  46  -6.449   2.775   2.894
  328   2HD2  LEU  46          2HD2      LEU  46  -6.144   4.433   2.373
  329   3HD2  LEU  46          3HD2      LEU  46  -5.170   3.732   3.698
  330    H    MET  47           H        MET  47  -9.150   2.944   1.120
  331    HA   MET  47           HA       MET  47  -7.288   4.456  -0.621
  332   1HB   MET  47          1HB       MET  47  -7.785   1.762  -0.148
  333   2HB   MET  47          2HB       MET  47  -8.534   1.958  -1.723
  334   1HG   MET  47          1HG       MET  47  -6.070   3.286  -2.127
  335   2HG   MET  47          2HG       MET  47  -5.632   1.948  -1.049
  336   1HE   MET  47          1HE       MET  47  -5.258   2.857  -4.300
  337   2HE   MET  47          2HE       MET  47  -4.190   1.636  -3.548
  338   3HE   MET  47          3HE       MET  47  -5.059   1.239  -5.058
  339    H    LYS  48           H        LYS  48 -10.747   4.492  -0.564
  340    HA   LYS  48           HA       LYS  48 -10.782   5.987  -3.191
  341   1HB   LYS  48          1HB       LYS  48 -12.831   5.368  -1.014
  342   2HB   LYS  48          2HB       LYS  48 -13.238   6.514  -2.254
  343   1HG   LYS  48          1HG       LYS  48 -13.913   3.900  -2.480
  344   2HG   LYS  48          2HG       LYS  48 -13.509   4.830  -3.889
  345   1HD   LYS  48          1HD       LYS  48 -11.215   3.989  -4.005
  346   2HD   LYS  48          2HD       LYS  48 -11.308   3.159  -2.487
  347   1HE   LYS  48          1HE       LYS  48 -11.881   1.263  -3.730
  348   2HE   LYS  48          2HE       LYS  48 -13.463   1.988  -3.954
  349   1HZ   LYS  48          1HZ       LYS  48 -11.931   3.316  -5.859
  350   2HZ   LYS  48          2HZ       LYS  48 -11.286   1.873  -5.965
  351   3HZ   LYS  48          3HZ       LYS  48 -12.912   2.062  -6.219
  352    H    ASP  49           H        ASP  49 -10.292   6.672   0.190
  353    HA   ASP  49           HA       ASP  49 -10.996   9.608   0.092
  354   1HB   ASP  49          1HB       ASP  49 -11.199   8.078   2.180
  355   2HB   ASP  49          2HB       ASP  49  -9.449   8.160   2.328
  356    H    SER  50           H        SER  50  -8.027   7.683  -0.227
  357    HA   SER  50           HA       SER  50  -6.457  10.152  -0.949
  358   1HB   SER  50          1HB       SER  50  -4.631   8.225  -1.372
  359   2HB   SER  50          2HB       SER  50  -5.061   8.720   0.262
  360    HG   SER  50           HG       SER  50  -5.204   6.559   0.267
  361    H    ASP  51           H        ASP  51  -7.688   7.270  -2.636
  362    HA   ASP  51           HA       ASP  51  -5.804   7.569  -4.878
  363   1HB   ASP  51          1HB       ASP  51  -6.849   5.425  -3.673
  364   2HB   ASP  51          2HB       ASP  51  -8.120   5.561  -4.880
  365    H    LYS  52           H        LYS  52  -8.321   9.551  -4.604
  366    HA   LYS  52           HA       LYS  52 -10.159   8.660  -6.843
  367   1HB   LYS  52          1HB       LYS  52 -11.751   9.973  -5.893
  368   2HB   LYS  52          2HB       LYS  52 -10.826   9.646  -4.460
  369   1HG   LYS  52          1HG       LYS  52 -10.828  12.261  -6.156
  370   2HG   LYS  52          2HG       LYS  52 -11.545  12.044  -4.591
  371   1HD   LYS  52          1HD       LYS  52  -9.144  11.467  -3.684
  372   2HD   LYS  52          2HD       LYS  52  -8.500  12.146  -5.142
  373   1HE   LYS  52          1HE       LYS  52  -8.608  14.247  -4.127
  374   2HE   LYS  52          2HE       LYS  52 -10.366  14.148  -4.187
  375   1HZ   LYS  52          1HZ       LYS  52 -10.100  12.671  -1.970
  376   2HZ   LYS  52          2HZ       LYS  52  -8.630  13.421  -1.829
  377   3HZ   LYS  52          3HZ       LYS  52 -10.034  14.250  -1.869
  378    H    ASN  53           H        ASN  53  -7.223  10.228  -6.864
  379    HA   ASN  53           HA       ASN  53  -7.589  12.004  -9.126
  380   1HB   ASN  53          1HB       ASN  53  -5.084  11.369  -9.601
  381   2HB   ASN  53          2HB       ASN  53  -5.463  12.102  -8.067
  382   1HD2  ASN  53          1HD2      ASN  53  -3.970   8.330  -8.106
  383   2HD2  ASN  53          2HD2      ASN  53  -4.520   9.122  -9.650
  384    H    ASN  54           H        ASN  54  -8.586   8.890  -9.184
  385    HA   ASN  54           HA       ASN  54  -9.433   7.521 -10.967
  386   1HB   ASN  54          1HB       ASN  54  -8.920  10.184 -12.432
  387   2HB   ASN  54          2HB       ASN  54  -9.368   8.774 -13.352
  388   1HD2  ASN  54          1HD2      ASN  54 -12.769   8.885 -12.188
  389   2HD2  ASN  54          2HD2      ASN  54 -11.480   7.764 -12.817
  390    H    ASP  55           H        ASP  55  -6.549   7.517 -10.210
  391    HA   ASP  55           HA       ASP  55  -5.911   5.482 -12.414
  392   1HB   ASP  55          1HB       ASP  55  -4.035   7.252 -10.784
  393   2HB   ASP  55          2HB       ASP  55  -3.465   5.660 -11.266
  394    H    GLY  56           H        GLY  56  -7.462   4.056 -11.317
  395   1HA   GLY  56          1HA       GLY  56  -7.846   3.731  -8.441
  396   2HA   GLY  56          2HA       GLY  56  -8.293   2.524  -9.653
  397    H    ARG  57           H        ARG  57  -5.590   2.004 -10.602
  398    HA   ARG  57           HA       ARG  57  -4.421   0.460  -8.260
  399   1HB   ARG  57          1HB       ARG  57  -3.613   0.284 -11.219
  400   2HB   ARG  57          2HB       ARG  57  -3.277  -0.886  -9.943
  401   1HG   ARG  57          1HG       ARG  57  -5.638  -1.561  -9.803
  402   2HG   ARG  57          2HG       ARG  57  -6.181  -0.160 -10.723
  403   1HD   ARG  57          1HD       ARG  57  -4.628  -2.618 -11.784
  404   2HD   ARG  57          2HD       ARG  57  -6.260  -2.102 -12.205
  405    HE   ARG  57           HE       ARG  57  -3.783  -0.864 -13.344
  406   1HH1  ARG  57          2HH1      ARG  57  -7.158  -0.315 -12.789
  407   2HH1  ARG  57          1HH1      ARG  57  -7.174   1.093 -13.976
  408   1HH2  ARG  57          1HH2      ARG  57  -3.885   0.535 -14.753
  409   2HH2  ARG  57          2HH2      ARG  57  -5.420   1.458 -15.137
  410    H    ILE  58           H        ILE  58  -2.133   0.308  -7.915
  411    HA   ILE  58           HA       ILE  58  -1.204   3.177  -7.574
  412    HB   ILE  58           HB       ILE  58  -1.038   0.710  -5.797
  413   1HG1  ILE  58          1HG1      ILE  58  -2.257   3.523  -5.457
  414   2HG1  ILE  58          2HG1      ILE  58  -3.101   2.002  -5.519
  415   1HG2  ILE  58          1HG2      ILE  58   1.257   1.768  -5.639
  416   2HG2  ILE  58          2HG2      ILE  58   0.524   3.341  -5.263
  417   3HG2  ILE  58          3HG2      ILE  58   0.374   1.977  -4.130
  418   1HD1  ILE  58          1HD1      ILE  58  -2.088   1.259  -3.314
  419   2HD1  ILE  58          2HD1      ILE  58  -1.322   2.861  -3.158
  420   3HD1  ILE  58          3HD1      ILE  58  -3.093   2.725  -3.194
  421    H    ASP  59           H        ASP  59   0.870   3.865  -7.928
  422    HA   ASP  59           HA       ASP  59   3.045   1.815  -8.597
  423   1HB   ASP  59          1HB       ASP  59   3.996   3.468 -10.153
  424   2HB   ASP  59          2HB       ASP  59   2.295   3.224 -10.523
  425    H    PHE  60           H        PHE  60   5.288   3.550  -8.484
  426    HA   PHE  60           HA       PHE  60   6.013   2.656  -5.733
  427   1HB   PHE  60          1HB       PHE  60   7.502   2.707  -7.875
  428   2HB   PHE  60          2HB       PHE  60   7.690   4.410  -7.625
  429    HD1  PHE  60           HD1      PHE  60   7.747   3.915  -4.340
  430    HD2  PHE  60           HD2      PHE  60   9.987   2.506  -7.724
  431    HE1  PHE  60           HE1      PHE  60   9.654   3.377  -2.866
  432    HE2  PHE  60           HE2      PHE  60  11.882   1.982  -6.254
  433    HZ   PHE  60           HZ       PHE  60  11.746   2.461  -3.830
  434    H    ASP  61           H        ASP  61   5.418   5.846  -7.172
  435    HA   ASP  61           HA       ASP  61   5.969   7.663  -4.964
  436   1HB   ASP  61          1HB       ASP  61   3.459   7.965  -6.799
  437   2HB   ASP  61          2HB       ASP  61   4.683   9.111  -6.306
  438    H    GLU  62           H        GLU  62   2.737   6.555  -5.791
  439    HA   GLU  62           HA       GLU  62   1.266   7.050  -3.363
  440   1HB   GLU  62          1HB       GLU  62   0.809   4.591  -5.099
  441   2HB   GLU  62          2HB       GLU  62  -0.346   5.374  -4.063
  442   1HG   GLU  62          1HG       GLU  62   0.120   7.509  -5.737
  443   2HG   GLU  62          2HG       GLU  62   0.632   6.241  -6.835
  444    H    PHE  63           H        PHE  63   3.567   4.378  -3.878
  445    HA   PHE  63           HA       PHE  63   2.885   2.757  -1.460
  446   1HB   PHE  63          1HB       PHE  63   4.249   1.985  -3.489
  447   2HB   PHE  63          2HB       PHE  63   5.553   3.002  -2.976
  448    HD1  PHE  63           HD1      PHE  63   6.916   2.498  -0.897
  449    HD2  PHE  63           HD2      PHE  63   3.771  -0.158  -2.151
  450    HE1  PHE  63           HE1      PHE  63   7.897   0.677   0.446
  451    HE2  PHE  63           HE2      PHE  63   4.746  -1.944  -0.793
  452    HZ   PHE  63           HZ       PHE  63   6.885  -1.579   0.397
  453    H    LEU  64           H        LEU  64   5.584   5.041  -2.045
  454    HA   LEU  64           HA       LEU  64   6.554   5.299   0.632
  455   1HB   LEU  64          1HB       LEU  64   6.546   7.325  -1.658
  456   2HB   LEU  64          2HB       LEU  64   7.329   7.687  -0.139
  457    HG   LEU  64           HG       LEU  64   8.074   5.268  -1.895
  458   1HD1  LEU  64          1HD1      LEU  64   9.349   8.086  -1.749
  459   2HD1  LEU  64          2HD1      LEU  64  10.090   6.672  -2.546
  460   3HD1  LEU  64          3HD1      LEU  64   8.555   7.307  -3.145
  461   1HD2  LEU  64          1HD2      LEU  64   9.519   6.544   0.542
  462   2HD2  LEU  64          2HD2      LEU  64   8.811   4.906   0.452
  463   3HD2  LEU  64          3HD2      LEU  64  10.227   5.308  -0.528
  464    H    LYS  65           H        LYS  65   3.934   7.236  -0.803
  465    HA   LYS  65           HA       LYS  65   3.385   8.838   1.640
  466   1HB   LYS  65          1HB       LYS  65   2.366   8.387  -1.156
  467   2HB   LYS  65          2HB       LYS  65   1.176   9.075  -0.067
  468   1HG   LYS  65          1HG       LYS  65   3.474  10.731   0.318
  469   2HG   LYS  65          2HG       LYS  65   3.588  10.271  -1.391
  470   1HD   LYS  65          1HD       LYS  65   0.796  10.891  -0.615
  471   2HD   LYS  65          2HD       LYS  65   1.839  12.279  -0.292
  472   1HE   LYS  65          1HE       LYS  65   1.491  10.815  -3.025
  473   2HE   LYS  65          2HE       LYS  65   0.671  12.315  -2.554
  474   1HZ   LYS  65          1HZ       LYS  65   3.703  12.242  -2.393
  475   2HZ   LYS  65          2HZ       LYS  65   2.983  12.508  -3.830
  476   3HZ   LYS  65          3HZ       LYS  65   2.726  13.548  -2.632
  477    H    MET  66           H        MET  66   1.553   6.130   0.128
  478    HA   MET  66           HA       MET  66  -0.388   5.659   2.127
  479   1HB   MET  66          1HB       MET  66  -0.588   4.493   0.052
  480   2HB   MET  66          2HB       MET  66   1.019   3.806   0.156
  481   1HG   MET  66          1HG       MET  66   0.400   2.071   1.667
  482   2HG   MET  66          2HG       MET  66  -1.055   2.913   2.233
  483   1HE   MET  66          1HE       MET  66   0.661   1.730  -1.159
  484   2HE   MET  66          2HE       MET  66   0.455   0.340  -0.048
  485   3HE   MET  66          3HE       MET  66  -0.469   0.407  -1.577
  486    H    MET  67           H        MET  67   2.867   4.020   2.188
  487    HA   MET  67           HA       MET  67   2.824   3.135   4.932
  488   1HB   MET  67          1HB       MET  67   4.906   3.761   2.927
  489   2HB   MET  67          2HB       MET  67   5.414   4.319   4.508
  490   1HG   MET  67          1HG       MET  67   6.193   1.971   4.057
  491   2HG   MET  67          2HG       MET  67   5.189   2.069   5.516
  492   1HE   MET  67          1HE       MET  67   5.750  -0.440   4.659
  493   2HE   MET  67          2HE       MET  67   4.168  -0.677   5.464
  494   3HE   MET  67          3HE       MET  67   4.470  -1.409   3.860
  495    H    GLU  68           H        GLU  68   4.683   6.072   4.198
  496    HA   GLU  68           HA       GLU  68   4.413   6.705   7.104
  497   1HB   GLU  68          1HB       GLU  68   6.607   6.315   6.204
  498   2HB   GLU  68          2HB       GLU  68   6.447   7.554   4.997
  499   1HG   GLU  68          1HG       GLU  68   6.621   9.362   6.714
  500   2HG   GLU  68          2HG       GLU  68   6.505   8.208   8.031
  501    H    GLY  69           H        GLY  69   2.788   8.074   4.477
  502   1HA   GLY  69          1HA       GLY  69   3.321  11.003   5.268
  503   2HA   GLY  69          2HA       GLY  69   2.883  10.505   3.629
  504    H    VAL  70           H        VAL  70   1.040   8.778   5.877
  505    HA   VAL  70           HA       VAL  70  -1.394  10.260   4.762
  506    HB   VAL  70           HB       VAL  70  -0.623   7.400   4.951
  507   1HG1  VAL  70          1HG1      VAL  70  -3.558   8.156   5.619
  508   2HG1  VAL  70          2HG1      VAL  70  -3.001   6.524   5.166
  509   3HG1  VAL  70          3HG1      VAL  70  -2.437   7.256   6.670
  510   1HG2  VAL  70          1HG2      VAL  70  -1.048   8.570   2.750
  511   2HG2  VAL  70          2HG2      VAL  70  -2.121   7.193   2.950
  512   3HG2  VAL  70          3HG2      VAL  70  -2.745   8.851   3.197
  513    H    GLN  71           H        GLN  71  -2.249  11.573   6.245
  514    HA   GLN  71           HA       GLN  71  -2.951  10.610   8.997
  515   1HB   GLN  71          1HB       GLN  71  -0.526  11.413   9.106
  516   2HB   GLN  71          2HB       GLN  71  -1.100  13.048   8.786
  517   1HG   GLN  71          1HG       GLN  71  -2.052  13.280  10.932
  518   2HG   GLN  71          2HG       GLN  71  -2.494  11.590  11.086
  519   1HE2  GLN  71          1HE2      GLN  71   0.849  12.894  12.852
  520   2HE2  GLN  71          2HE2      GLN  71  -0.413  13.984  12.054
  521   1HN   NH2  72          1HN       NH2  72  -2.573  14.083   7.916
  522   2HN   NH2  72          2HN       NH2  72  -4.320  14.431   7.820
   
  No H/Q in entry =         522
  Start of MODEL   36
    1   1H    ACE   1          1HH3      ACE   1  19.634  12.442   0.200
    2   2H    ACE   1          2HH3      ACE   1  18.003  13.055  -0.250
    3   3H    ACE   1          3HH3      ACE   1  18.937  13.834   1.058
    4    H    LYS   2           H        LYS   2  17.469  10.675   0.206
    5    HA   LYS   2           HA       LYS   2  17.677   9.784   3.104
    6   1HB   LYS   2          1HB       LYS   2  15.463   9.449   3.460
    7   2HB   LYS   2          2HB       LYS   2  15.298  10.805   2.365
    8   1HG   LYS   2          1HG       LYS   2  15.305   8.224   0.835
    9   2HG   LYS   2          2HG       LYS   2  14.194   8.098   2.175
   10   1HD   LYS   2          1HD       LYS   2  12.820   8.924   0.412
   11   2HD   LYS   2          2HD       LYS   2  13.148  10.388   1.342
   12   1HE   LYS   2          1HE       LYS   2  14.600  11.311  -0.241
   13   2HE   LYS   2          2HE       LYS   2  15.186   9.754  -0.855
   14   1HZ   LYS   2          1HZ       LYS   2  12.274  10.488  -1.333
   15   2HZ   LYS   2          2HZ       LYS   2  13.442  10.958  -2.419
   16   3HZ   LYS   2          3HZ       LYS   2  13.130   9.409  -2.076
   17    H    SER   3           H        SER   3  17.461   7.449   3.373
   18    HA   SER   3           HA       SER   3  18.512   5.834   1.049
   19   1HB   SER   3          1HB       SER   3  19.254   6.030   3.642
   20   2HB   SER   3          2HB       SER   3  18.157   4.684   3.844
   21    HG   SER   3           HG       SER   3  19.662   3.476   3.085
   22    H    GLU   4           H        GLU   4  16.972   5.223  -0.335
   23    HA   GLU   4           HA       GLU   4  14.191   4.378   0.354
   24   1HB   GLU   4          1HB       GLU   4  15.217   5.296  -1.961
   25   2HB   GLU   4          2HB       GLU   4  15.348   3.577  -2.246
   26   1HG   GLU   4          1HG       GLU   4  12.908   3.279  -2.235
   27   2HG   GLU   4          2HG       GLU   4  12.629   4.846  -1.485
   28    H    GLU   5           H        GLU   5  17.225   2.800   0.438
   29    HA   GLU   5           HA       GLU   5  16.676   0.294  -0.687
   30   1HB   GLU   5          1HB       GLU   5  18.891   0.573  -0.429
   31   2HB   GLU   5          2HB       GLU   5  18.779   1.336   1.128
   32   1HG   GLU   5          1HG       GLU   5  18.374  -1.070   2.141
   33   2HG   GLU   5          2HG       GLU   5  18.797  -1.710   0.563
   34    H    GLU   6           H        GLU   6  16.280   0.927   2.798
   35    HA   GLU   6           HA       GLU   6  15.403  -1.808   3.389
   36   1HB   GLU   6          1HB       GLU   6  14.948  -0.873   5.722
   37   2HB   GLU   6          2HB       GLU   6  16.580  -0.883   5.126
   38   1HG   GLU   6          1HG       GLU   6  14.935   1.711   4.876
   39   2HG   GLU   6          2HG       GLU   6  15.607   1.267   6.435
   40    H    LEU   7           H        LEU   7  13.485   1.204   3.524
   41    HA   LEU   7           HA       LEU   7  10.745   0.106   3.544
   42   1HB   LEU   7          1HB       LEU   7  12.000   2.610   2.333
   43   2HB   LEU   7          2HB       LEU   7  10.335   2.216   1.981
   44    HG   LEU   7           HG       LEU   7  11.300   3.700   4.191
   45   1HD1  LEU   7          1HD1      LEU   7   9.115   4.001   3.039
   46   2HD1  LEU   7          2HD1      LEU   7   8.499   2.471   3.716
   47   3HD1  LEU   7          3HD1      LEU   7   8.873   3.848   4.786
   48   1HD2  LEU   7          1HD2      LEU   7  10.190   0.972   5.189
   49   2HD2  LEU   7          2HD2      LEU   7  11.807   1.653   5.520
   50   3HD2  LEU   7          3HD2      LEU   7  10.374   2.435   6.193
   51    H    ALA   8           H        ALA   8  12.731   0.895   0.609
   52    HA   ALA   8           HA       ALA   8  11.627  -0.533  -1.432
   53   1HB   ALA   8          1HB       ALA   8  14.585  -0.767  -0.551
   54   2HB   ALA   8          2HB       ALA   8  13.968  -1.148  -2.172
   55   3HB   ALA   8          3HB       ALA   8  13.867   0.509  -1.563
   56    H    ASN   9           H        ASN   9  13.879  -2.475   0.561
   57    HA   ASN   9           HA       ASN   9  13.133  -5.111  -0.323
   58   1HB   ASN   9          1HB       ASN   9  14.054  -4.370   2.541
   59   2HB   ASN   9          2HB       ASN   9  14.175  -5.942   1.800
   60   1HD2  ASN   9          1HD2      ASN   9  17.503  -4.414   1.452
   61   2HD2  ASN   9          2HD2      ASN   9  16.407  -4.969   2.796
   62    H    ALA  10           H        ALA  10  11.750  -3.416   2.508
   63    HA   ALA  10           HA       ALA  10   9.745  -5.449   3.233
   64   1HB   ALA  10          1HB       ALA  10  10.655  -3.694   4.768
   65   2HB   ALA  10          2HB       ALA  10   9.824  -2.413   3.846
   66   3HB   ALA  10          3HB       ALA  10   8.882  -3.638   4.723
   67    H    PHE  11           H        PHE  11   9.426  -2.564   1.110
   68    HA   PHE  11           HA       PHE  11   6.646  -2.972   0.343
   69   1HB   PHE  11          1HB       PHE  11   7.947  -0.878  -0.026
   70   2HB   PHE  11          2HB       PHE  11   8.957  -1.666  -1.191
   71    HD1  PHE  11           HD1      PHE  11   5.523  -0.266  -0.700
   72    HD2  PHE  11           HD2      PHE  11   8.227  -2.089  -3.507
   73    HE1  PHE  11           HE1      PHE  11   4.125   0.512  -2.572
   74    HE2  PHE  11           HE2      PHE  11   6.795  -1.337  -5.360
   75    HZ   PHE  11           HZ       PHE  11   4.765  -0.017  -4.904
   76    H    ARG  12           H        ARG  12   9.589  -4.310  -1.255
   77    HA   ARG  12           HA       ARG  12   8.153  -6.174  -2.973
   78   1HB   ARG  12          1HB       ARG  12  10.952  -6.273  -1.729
   79   2HB   ARG  12          2HB       ARG  12  10.365  -7.583  -2.748
   80   1HG   ARG  12          1HG       ARG  12  11.178  -4.755  -3.481
   81   2HG   ARG  12          2HG       ARG  12  11.464  -6.259  -4.366
   82   1HD   ARG  12          1HD       ARG  12   8.590  -5.859  -4.394
   83   2HD   ARG  12          2HD       ARG  12   9.325  -4.272  -4.753
   84    HE   ARG  12           HE       ARG  12  10.186  -5.159  -6.837
   85   1HH1  ARG  12          2HH1      ARG  12   9.244  -7.830  -4.840
   86   2HH1  ARG  12          1HH1      ARG  12   9.485  -9.034  -6.195
   87   1HH2  ARG  12          1HH2      ARG  12  10.426  -6.515  -8.344
   88   2HH2  ARG  12          2HH2      ARG  12  10.128  -8.298  -8.097
   89    H    ILE  13           H        ILE  13   9.155  -6.582   0.445
   90    HA   ILE  13           HA       ILE  13   8.766  -9.542   0.474
   91    HB   ILE  13           HB       ILE  13   9.385  -7.488   2.644
   92   1HG1  ILE  13          1HG1      ILE  13  11.356  -8.156   1.281
   93   2HG1  ILE  13          2HG1      ILE  13  11.523  -8.703   2.927
   94   1HG2  ILE  13          1HG2      ILE  13   7.912  -9.203   3.771
   95   2HG2  ILE  13          2HG2      ILE  13   8.930 -10.523   3.148
   96   3HG2  ILE  13          3HG2      ILE  13   9.561  -9.373   4.344
   97   1HD1  ILE  13          1HD1      ILE  13  10.865 -11.055   2.319
   98   2HD1  ILE  13          2HD1      ILE  13  10.744 -10.572   0.608
   99   3HD1  ILE  13          3HD1      ILE  13  12.307 -10.489   1.445
  100    H    PHE  14           H        PHE  14   6.807  -6.752   1.296
  101    HA   PHE  14           HA       PHE  14   4.328  -8.205   2.208
  102   1HB   PHE  14          1HB       PHE  14   4.775  -5.424   0.935
  103   2HB   PHE  14          2HB       PHE  14   3.205  -6.027   1.350
  104    HD1  PHE  14           HD1      PHE  14   4.087  -7.441   4.054
  105    HD2  PHE  14           HD2      PHE  14   4.779  -3.525   2.431
  106    HE1  PHE  14           HE1      PHE  14   4.392  -6.549   6.329
  107    HE2  PHE  14           HE2      PHE  14   5.105  -2.643   4.708
  108    HZ   PHE  14           HZ       PHE  14   4.878  -4.150   6.666
  109    H    ASP  15           H        ASP  15   4.893  -6.463  -0.889
  110    HA   ASP  15           HA       ASP  15   2.652  -7.652  -2.343
  111   1HB   ASP  15          1HB       ASP  15   3.782  -5.502  -2.933
  112   2HB   ASP  15          2HB       ASP  15   5.253  -6.353  -3.378
  113    H    LYS  16           H        LYS  16   2.365  -9.776  -2.815
  114    HA   LYS  16           HA       LYS  16   4.804 -11.582  -2.577
  115   1HB   LYS  16          1HB       LYS  16   3.591 -13.206  -1.484
  116   2HB   LYS  16          2HB       LYS  16   2.744 -11.795  -0.914
  117   1HG   LYS  16          1HG       LYS  16   1.236 -12.511  -3.211
  118   2HG   LYS  16          2HG       LYS  16   1.847 -14.074  -2.682
  119   1HD   LYS  16          1HD       LYS  16   0.432 -14.184  -0.880
  120   2HD   LYS  16          2HD       LYS  16   0.849 -12.547  -0.377
  121   1HE   LYS  16          1HE       LYS  16  -0.783 -11.995  -2.588
  122   2HE   LYS  16          2HE       LYS  16  -1.589 -13.411  -1.881
  123   1HZ   LYS  16          1HZ       LYS  16  -0.621 -11.181  -0.044
  124   2HZ   LYS  16          2HZ       LYS  16  -2.104 -11.090  -0.765
  125   3HZ   LYS  16          3HZ       LYS  16  -1.766 -12.325   0.240
  126    H    ASN  17           H        ASN  17   3.913 -10.133  -4.986
  127    HA   ASN  17           HA       ASN  17   4.249 -12.439  -6.910
  128   1HB   ASN  17          1HB       ASN  17   1.885 -12.511  -6.704
  129   2HB   ASN  17          2HB       ASN  17   1.699 -10.778  -6.699
  130   1HD2  ASN  17          1HD2      ASN  17   1.372 -12.731 -10.169
  131   2HD2  ASN  17          2HD2      ASN  17   2.135 -13.585  -8.787
  132    H    ALA  18           H        ALA  18   3.941  -8.919  -6.536
  133    HA   ALA  18           HA       ALA  18   5.525  -7.232  -7.191
  134   1HB   ALA  18          1HB       ALA  18   7.072  -9.097  -6.489
  135   2HB   ALA  18          2HB       ALA  18   7.067  -9.721  -8.154
  136   3HB   ALA  18          3HB       ALA  18   7.772  -8.130  -7.817
  137    H    ASP  19           H        ASP  19   3.429  -7.889  -9.142
  138    HA   ASP  19           HA       ASP  19   4.323  -7.109 -11.858
  139   1HB   ASP  19          1HB       ASP  19   1.730  -6.587 -10.274
  140   2HB   ASP  19          2HB       ASP  19   1.947  -6.066 -11.939
  141    H    GLY  20           H        GLY  20   3.956  -5.290  -8.846
  142   1HA   GLY  20          1HA       GLY  20   6.025  -3.319  -9.156
  143   2HA   GLY  20          2HA       GLY  20   4.672  -2.666 -10.086
  144    H    TYR  21           H        TYR  21   2.636  -3.767  -8.155
  145    HA   TYR  21           HA       TYR  21   2.701  -1.138  -6.547
  146   1HB   TYR  21          1HB       TYR  21   0.227  -2.547  -7.738
  147   2HB   TYR  21          2HB       TYR  21   0.217  -1.067  -6.826
  148    HD1  TYR  21           HD1      TYR  21   3.068  -0.381  -8.514
  149    HD2  TYR  21           HD2      TYR  21  -1.074  -1.068  -9.447
  150    HE1  TYR  21           HE1      TYR  21   3.320   0.888 -10.609
  151    HE2  TYR  21           HE2      TYR  21  -0.783   0.181 -11.561
  152    HH   TYR  21           HH       TYR  21   1.300   2.261 -12.147
  153    H    ILE  22           H        ILE  22   1.114  -1.085  -4.709
  154    HA   ILE  22           HA       ILE  22   0.602  -3.800  -3.360
  155    HB   ILE  22           HB       ILE  22   0.880  -1.089  -1.954
  156   1HG1  ILE  22          1HG1      ILE  22   2.816  -3.478  -2.100
  157   2HG1  ILE  22          2HG1      ILE  22   3.141  -1.805  -2.463
  158   1HG2  ILE  22          1HG2      ILE  22  -0.804  -2.571  -0.774
  159   2HG2  ILE  22          2HG2      ILE  22   0.383  -3.888  -0.692
  160   3HG2  ILE  22          3HG2      ILE  22   0.631  -2.375   0.217
  161   1HD1  ILE  22          1HD1      ILE  22   2.858  -1.162  -0.014
  162   2HD1  ILE  22          2HD1      ILE  22   2.729  -2.895   0.380
  163   3HD1  ILE  22          3HD1      ILE  22   4.220  -2.261  -0.346
  164    H    ASP  23           H        ASP  23  -1.469  -4.162  -2.477
  165    HA   ASP  23           HA       ASP  23  -3.691  -2.511  -3.774
  166   1HB   ASP  23          1HB       ASP  23  -4.724  -4.843  -4.457
  167   2HB   ASP  23          2HB       ASP  23  -3.436  -4.158  -5.438
  168    H    ILE  24           H        ILE  24  -5.892  -3.198  -3.041
  169    HA   ILE  24           HA       ILE  24  -5.996  -3.042  -0.034
  170    HB   ILE  24           HB       ILE  24  -7.576  -1.866  -1.856
  171   1HG1  ILE  24          1HG1      ILE  24  -8.028  -0.998   0.256
  172   2HG1  ILE  24          2HG1      ILE  24  -9.509  -1.884   0.011
  173   1HG2  ILE  24          1HG2      ILE  24  -8.621  -3.991  -2.769
  174   2HG2  ILE  24          2HG2      ILE  24  -9.241  -4.394  -1.155
  175   3HG2  ILE  24          3HG2      ILE  24  -9.848  -2.971  -2.039
  176   1HD1  ILE  24          1HD1      ILE  24  -8.603  -3.864   1.330
  177   2HD1  ILE  24          2HD1      ILE  24  -7.184  -2.877   1.756
  178   3HD1  ILE  24          3HD1      ILE  24  -8.803  -2.367   2.278
  179    H    GLU  25           H        GLU  25  -6.256  -5.542  -2.434
  180    HA   GLU  25           HA       GLU  25  -7.378  -7.633  -0.599
  181   1HB   GLU  25          1HB       GLU  25  -7.476  -7.512  -3.221
  182   2HB   GLU  25          2HB       GLU  25  -5.903  -8.248  -3.186
  183   1HG   GLU  25          1HG       GLU  25  -6.754 -10.343  -2.281
  184   2HG   GLU  25          2HG       GLU  25  -8.235  -9.613  -1.690
  185    H    GLU  26           H        GLU  26  -4.160  -6.553  -1.502
  186    HA   GLU  26           HA       GLU  26  -2.720  -8.470   0.305
  187   1HB   GLU  26          1HB       GLU  26  -1.805  -6.008  -1.227
  188   2HB   GLU  26          2HB       GLU  26  -0.761  -6.787  -0.077
  189   1HG   GLU  26          1HG       GLU  26  -0.774  -8.918  -1.438
  190   2HG   GLU  26          2HG       GLU  26  -1.948  -8.241  -2.552
  191    H    LEU  27           H        LEU  27  -4.352  -5.449   0.754
  192    HA   LEU  27           HA       LEU  27  -2.950  -4.264   3.066
  193   1HB   LEU  27          1HB       LEU  27  -4.627  -3.095   1.629
  194   2HB   LEU  27          2HB       LEU  27  -5.905  -4.115   2.236
  195    HG   LEU  27           HG       LEU  27  -5.604  -1.671   3.210
  196   1HD1  LEU  27          1HD1      LEU  27  -7.303  -3.324   3.995
  197   2HD1  LEU  27          2HD1      LEU  27  -6.119  -4.068   5.106
  198   3HD1  LEU  27          3HD1      LEU  27  -6.659  -2.380   5.336
  199   1HD2  LEU  27          1HD2      LEU  27  -3.611  -3.202   5.044
  200   2HD2  LEU  27          2HD2      LEU  27  -3.200  -1.865   3.930
  201   3HD2  LEU  27          3HD2      LEU  27  -4.254  -1.559   5.315
  202    H    GLY  28           H        GLY  28  -6.161  -5.795   3.399
  203   1HA   GLY  28          1HA       GLY  28  -6.023  -6.114   6.336
  204   2HA   GLY  28          2HA       GLY  28  -7.171  -6.936   5.272
  205    H    GLU  29           H        GLU  29  -5.157  -8.320   3.688
  206    HA   GLU  29           HA       GLU  29  -4.705 -10.664   5.435
  207   1HB   GLU  29          1HB       GLU  29  -5.408 -10.542   2.922
  208   2HB   GLU  29          2HB       GLU  29  -3.711 -10.456   2.564
  209   1HG   GLU  29          1HG       GLU  29  -3.555 -12.736   4.030
  210   2HG   GLU  29          2HG       GLU  29  -5.282 -12.829   3.734
  211    H    ILE  30           H        ILE  30  -2.532  -8.216   4.173
  212    HA   ILE  30           HA       ILE  30  -0.010  -9.114   5.482
  213    HB   ILE  30           HB       ILE  30  -1.108  -6.350   4.792
  214   1HG1  ILE  30          1HG1      ILE  30   1.413  -7.821   3.761
  215   2HG1  ILE  30          2HG1      ILE  30  -0.102  -7.728   2.904
  216   1HG2  ILE  30          1HG2      ILE  30   0.199  -6.058   6.928
  217   2HG2  ILE  30          2HG2      ILE  30   1.598  -6.897   6.209
  218   3HG2  ILE  30          3HG2      ILE  30   1.053  -5.317   5.579
  219   1HD1  ILE  30          1HD1      ILE  30   1.597  -5.216   3.508
  220   2HD1  ILE  30          2HD1      ILE  30   1.458  -6.081   1.963
  221   3HD1  ILE  30          3HD1      ILE  30   0.039  -5.261   2.644
  222    H    LEU  31           H        LEU  31  -2.589  -6.898   6.731
  223    HA   LEU  31           HA       LEU  31  -1.136  -6.607   9.343
  224   1HB   LEU  31          1HB       LEU  31  -3.094  -5.180   9.997
  225   2HB   LEU  31          2HB       LEU  31  -2.234  -4.632   8.580
  226    HG   LEU  31           HG       LEU  31  -4.102  -5.824   7.159
  227   1HD1  LEU  31          1HD1      LEU  31  -5.502  -5.743   9.916
  228   2HD1  LEU  31          2HD1      LEU  31  -6.316  -6.018   8.353
  229   3HD1  LEU  31          3HD1      LEU  31  -5.118  -7.181   8.930
  230   1HD2  LEU  31          1HD2      LEU  31  -4.774  -3.327   8.876
  231   2HD2  LEU  31          2HD2      LEU  31  -4.005  -3.341   7.264
  232   3HD2  LEU  31          3HD2      LEU  31  -5.688  -3.849   7.437
  233    H    ARG  32           H        ARG  32  -3.613  -8.756   8.187
  234    HA   ARG  32           HA       ARG  32  -4.064  -9.869  10.982
  235   1HB   ARG  32          1HB       ARG  32  -5.882  -9.234   9.333
  236   2HB   ARG  32          2HB       ARG  32  -5.351 -10.521   8.251
  237   1HG   ARG  32          1HG       ARG  32  -5.947 -12.235  10.011
  238   2HG   ARG  32          2HG       ARG  32  -6.302 -10.938  11.167
  239   1HD   ARG  32          1HD       ARG  32  -7.792 -10.738   8.527
  240   2HD   ARG  32          2HD       ARG  32  -8.228 -12.142   9.527
  241    HE   ARG  32           HE       ARG  32  -8.863  -9.310  10.167
  242   1HH1  ARG  32          2HH1      ARG  32  -8.130 -12.322  11.735
  243   2HH1  ARG  32          1HH1      ARG  32  -8.955 -11.804  13.281
  244   1HH2  ARG  32          1HH2      ARG  32  -9.787  -8.763  11.922
  245   2HH2  ARG  32          2HH2      ARG  32  -9.833  -9.880  13.362
  246    H    ALA  33           H        ALA  33  -2.366 -10.691   8.014
  247    HA   ALA  33           HA       ALA  33  -1.732 -13.323   7.953
  248   1HB   ALA  33          1HB       ALA  33  -0.587 -11.586   6.585
  249   2HB   ALA  33          2HB       ALA  33   0.421 -11.105   7.977
  250   3HB   ALA  33          3HB       ALA  33   0.597 -12.720   7.258
  251    H    THR  34           H        THR  34  -0.653 -14.945   8.968
  252    HA   THR  34           HA       THR  34  -0.053 -14.768  11.855
  253    HB   THR  34           HB       THR  34   0.456 -17.181  11.746
  254    HG1  THR  34           HG1      THR  34   1.131 -17.998   9.996
  255   1HG2  THR  34          2HG2      THR  34  -1.990 -16.358  11.677
  256   2HG2  THR  34          3HG2      THR  34  -1.952 -16.528   9.903
  257   3HG2  THR  34          1HG2      THR  34  -1.769 -17.961  10.927
  258    H    GLY  35           H        GLY  35   2.134 -16.348  12.289
  259   1HA   GLY  35          1HA       GLY  35   4.647 -16.032  12.536
  260   2HA   GLY  35          2HA       GLY  35   4.521 -14.570  11.550
  261   1HN   NH2  36          1HN       NH2  36   2.125 -15.042  14.173
  262   2HN   NH2  36          2HN       NH2  36   2.815 -13.828  15.283
  263   1H    ACE  37          1HH3      ACE  37 -19.162  -6.495  13.442
  264   2H    ACE  37          2HH3      ACE  37 -20.033  -6.500  11.870
  265   3H    ACE  37          3HH3      ACE  37 -19.365  -8.015  12.530
  266    H    VAL  38           H        VAL  38 -18.410  -4.807  11.349
  267    HA   VAL  38           HA       VAL  38 -16.280  -3.836  10.776
  268    HB   VAL  38           HB       VAL  38 -15.513  -6.124  12.626
  269   1HG1  VAL  38          1HG1      VAL  38 -13.478  -4.245  11.219
  270   2HG1  VAL  38          2HG1      VAL  38 -13.098  -5.241  12.642
  271   3HG1  VAL  38          3HG1      VAL  38 -13.532  -6.014  11.114
  272   1HG2  VAL  38          1HG2      VAL  38 -16.445  -4.010  13.665
  273   2HG2  VAL  38          2HG2      VAL  38 -14.741  -4.234  14.117
  274   3HG2  VAL  38          3HG2      VAL  38 -15.182  -3.052  12.860
  275    H    THR  39           H        THR  39 -15.810  -3.879   8.622
  276    HA   THR  39           HA       THR  39 -14.957  -6.324   7.168
  277    HB   THR  39           HB       THR  39 -17.561  -5.381   5.981
  278    HG1  THR  39           HG1      THR  39 -18.328  -7.328   7.378
  279   1HG2  THR  39          2HG2      THR  39 -16.254  -8.163   6.398
  280   2HG2  THR  39          3HG2      THR  39 -17.738  -7.852   5.464
  281   3HG2  THR  39          1HG2      THR  39 -16.187  -7.191   4.909
  282    H    GLU  40           H        GLU  40 -16.236  -5.084   4.614
  283    HA   GLU  40           HA       GLU  40 -13.541  -3.990   3.908
  284   1HB   GLU  40          1HB       GLU  40 -15.992  -4.403   2.138
  285   2HB   GLU  40          2HB       GLU  40 -14.428  -3.913   1.563
  286   1HG   GLU  40          1HG       GLU  40 -13.543  -6.221   2.609
  287   2HG   GLU  40          2HG       GLU  40 -15.235  -6.674   2.682
  288    H    GLU  41           H        GLU  41 -16.737  -2.571   4.395
  289    HA   GLU  41           HA       GLU  41 -16.172   0.093   3.502
  290   1HB   GLU  41          1HB       GLU  41 -18.137  -0.888   5.610
  291   2HB   GLU  41          2HB       GLU  41 -18.061   0.782   5.137
  292   1HG   GLU  41          1HG       GLU  41 -18.933  -1.615   3.399
  293   2HG   GLU  41          2HG       GLU  41 -19.895  -0.226   3.871
  294    H    ASP  42           H        ASP  42 -15.553  -1.183   6.765
  295    HA   ASP  42           HA       ASP  42 -14.684   1.432   7.956
  296   1HB   ASP  42          1HB       ASP  42 -14.720  -1.486   8.886
  297   2HB   ASP  42          2HB       ASP  42 -13.783  -0.303   9.789
  298    H    ILE  43           H        ILE  43 -13.050  -1.334   6.462
  299    HA   ILE  43           HA       ILE  43 -10.241  -0.390   6.994
  300    HB   ILE  43           HB       ILE  43 -11.403  -2.602   5.249
  301   1HG1  ILE  43          1HG1      ILE  43 -11.124  -3.483   7.445
  302   2HG1  ILE  43          2HG1      ILE  43  -9.701  -4.028   6.600
  303   1HG2  ILE  43          1HG2      ILE  43  -9.531  -1.627   3.863
  304   2HG2  ILE  43          2HG2      ILE  43  -8.417  -1.737   5.241
  305   3HG2  ILE  43          3HG2      ILE  43  -9.059  -3.208   4.468
  306   1HD1  ILE  43          1HD1      ILE  43  -8.299  -2.175   7.603
  307   2HD1  ILE  43          2HD1      ILE  43  -9.696  -1.686   8.599
  308   3HD1  ILE  43          3HD1      ILE  43  -8.981  -3.300   8.800
  309    H    GLU  44           H        GLU  44 -12.684   0.096   4.530
  310    HA   GLU  44           HA       GLU  44 -10.977   1.664   2.627
  311   1HB   GLU  44          1HB       GLU  44 -13.813   0.832   2.766
  312   2HB   GLU  44          2HB       GLU  44 -13.630   2.449   2.158
  313   1HG   GLU  44          1HG       GLU  44 -11.706   0.683   0.752
  314   2HG   GLU  44          2HG       GLU  44 -13.304  -0.039   0.700
  315    H    ASP  45           H        ASP  45 -12.995   2.424   5.410
  316    HA   ASP  45           HA       ASP  45 -12.918   5.393   5.277
  317   1HB   ASP  45          1HB       ASP  45 -13.509   3.328   7.462
  318   2HB   ASP  45          2HB       ASP  45 -13.342   5.025   7.891
  319    H    LEU  46           H        LEU  46 -10.798   3.006   6.872
  320    HA   LEU  46           HA       LEU  46  -8.534   4.783   7.579
  321   1HB   LEU  46          1HB       LEU  46  -8.766   2.402   8.265
  322   2HB   LEU  46          2HB       LEU  46  -8.548   1.859   6.619
  323    HG   LEU  46           HG       LEU  46  -6.170   3.193   6.847
  324   1HD1  LEU  46          1HD1      LEU  46  -7.138   2.847   9.703
  325   2HD1  LEU  46          2HD1      LEU  46  -5.436   2.440   9.340
  326   3HD1  LEU  46          3HD1      LEU  46  -6.044   4.062   8.980
  327   1HD2  LEU  46          1HD2      LEU  46  -6.916   0.343   7.664
  328   2HD2  LEU  46          2HD2      LEU  46  -6.002   0.906   6.263
  329   3HD2  LEU  46          3HD2      LEU  46  -5.230   0.901   7.875
  330    H    MET  47           H        MET  47  -9.071   3.035   4.520
  331    HA   MET  47           HA       MET  47  -6.582   4.105   3.341
  332   1HB   MET  47          1HB       MET  47  -8.070   1.819   2.950
  333   2HB   MET  47          2HB       MET  47  -8.576   2.737   1.542
  334   1HG   MET  47          1HG       MET  47  -5.592   2.777   1.914
  335   2HG   MET  47          2HG       MET  47  -6.279   1.169   1.625
  336   1HE   MET  47          1HE       MET  47  -4.376   1.827  -0.353
  337   2HE   MET  47          2HE       MET  47  -5.564   0.529  -0.668
  338   3HE   MET  47          3HE       MET  47  -5.209   1.729  -1.944
  339    H    LYS  48           H        LYS  48  -9.403   5.831   3.651
  340    HA   LYS  48           HA       LYS  48  -8.173   7.737   1.591
  341   1HB   LYS  48          1HB       LYS  48 -10.497   8.718   1.375
  342   2HB   LYS  48          2HB       LYS  48 -10.297   7.146   0.663
  343   1HG   LYS  48          1HG       LYS  48 -11.597   6.078   2.536
  344   2HG   LYS  48          2HG       LYS  48 -11.467   7.509   3.509
  345   1HD   LYS  48          1HD       LYS  48 -13.311   7.046   1.145
  346   2HD   LYS  48          2HD       LYS  48 -13.747   7.618   2.721
  347   1HE   LYS  48          1HE       LYS  48 -12.748   9.906   2.188
  348   2HE   LYS  48          2HE       LYS  48 -12.092   9.288   0.682
  349   1HZ   LYS  48          1HZ       LYS  48 -15.009   8.806   0.871
  350   2HZ   LYS  48          2HZ       LYS  48 -14.597  10.407   0.764
  351   3HZ   LYS  48          3HZ       LYS  48 -14.149   9.311  -0.359
  352    H    ASP  49           H        ASP  49  -9.281   7.275   4.849
  353    HA   ASP  49           HA       ASP  49  -8.984  10.106   5.824
  354   1HB   ASP  49          1HB       ASP  49 -10.253   8.228   7.056
  355   2HB   ASP  49          2HB       ASP  49  -8.700   7.533   7.499
  356    H    SER  50           H        SER  50  -6.682   7.371   5.445
  357    HA   SER  50           HA       SER  50  -4.407   9.359   5.545
  358   1HB   SER  50          1HB       SER  50  -4.416   6.789   6.279
  359   2HB   SER  50          2HB       SER  50  -4.159   6.452   4.570
  360    HG   SER  50           HG       SER  50  -2.186   6.642   5.530
  361    H    ASP  51           H        ASP  51  -5.746   7.174   3.025
  362    HA   ASP  51           HA       ASP  51  -3.595   7.985   1.162
  363   1HB   ASP  51          1HB       ASP  51  -4.767   5.618   1.703
  364   2HB   ASP  51          2HB       ASP  51  -5.834   6.058   0.378
  365    H    LYS  52           H        LYS  52  -3.603   9.094  -0.689
  366    HA   LYS  52           HA       LYS  52  -6.126  10.258  -1.935
  367   1HB   LYS  52          1HB       LYS  52  -3.511  10.285  -3.409
  368   2HB   LYS  52          2HB       LYS  52  -4.718  11.532  -3.333
  369   1HG   LYS  52          1HG       LYS  52  -2.850  10.851  -0.929
  370   2HG   LYS  52          2HG       LYS  52  -2.348  11.912  -2.207
  371   1HD   LYS  52          1HD       LYS  52  -5.002  12.731  -1.137
  372   2HD   LYS  52          2HD       LYS  52  -3.812  12.740   0.121
  373   1HE   LYS  52          1HE       LYS  52  -4.198  14.970  -1.269
  374   2HE   LYS  52          2HE       LYS  52  -2.532  14.508  -0.925
  375   1HZ   LYS  52          1HZ       LYS  52  -3.747  13.493  -3.517
  376   2HZ   LYS  52          2HZ       LYS  52  -3.099  15.016  -3.456
  377   3HZ   LYS  52          3HZ       LYS  52  -2.215  13.677  -3.157
  378    H    ASN  53           H        ASN  53  -7.358   9.005  -3.137
  379    HA   ASN  53           HA       ASN  53  -6.838   6.166  -3.047
  380   1HB   ASN  53          1HB       ASN  53  -9.145   5.895  -3.858
  381   2HB   ASN  53          2HB       ASN  53  -9.099   7.268  -2.788
  382   1HD2  ASN  53          1HD2      ASN  53 -10.059   9.548  -5.379
  383   2HD2  ASN  53          2HD2      ASN  53  -9.273   9.409  -3.743
  384    H    ASN  54           H        ASN  54  -7.202   8.148  -6.012
  385    HA   ASN  54           HA       ASN  54  -7.411   7.429  -8.304
  386   1HB   ASN  54          1HB       ASN  54  -4.731   6.121  -7.443
  387   2HB   ASN  54          2HB       ASN  54  -5.276   6.147  -9.097
  388   1HD2  ASN  54          1HD2      ASN  54  -3.409   9.377  -7.664
  389   2HD2  ASN  54          2HD2      ASN  54  -3.593   7.837  -6.711
  390    H    ASP  55           H        ASP  55  -9.143   6.134  -8.695
  391    HA   ASP  55           HA       ASP  55 -10.582   4.585  -7.071
  392   1HB   ASP  55          1HB       ASP  55 -10.380   4.577  -9.869
  393   2HB   ASP  55          2HB       ASP  55 -10.119   2.877  -9.502
  394    H    GLY  56           H        GLY  56  -8.253   4.347  -5.795
  395   1HA   GLY  56          1HA       GLY  56  -8.005   2.901  -3.848
  396   2HA   GLY  56          2HA       GLY  56  -8.998   1.696  -4.676
  397    H    ARG  57           H        ARG  57  -5.942   2.892  -6.005
  398    HA   ARG  57           HA       ARG  57  -4.462   0.374  -5.066
  399   1HB   ARG  57          1HB       ARG  57  -5.133   1.326  -7.844
  400   2HB   ARG  57          2HB       ARG  57  -3.484   0.738  -7.633
  401   1HG   ARG  57          1HG       ARG  57  -4.866  -1.301  -6.336
  402   2HG   ARG  57          2HG       ARG  57  -6.127  -0.773  -7.449
  403   1HD   ARG  57          1HD       ARG  57  -4.256  -0.971  -9.348
  404   2HD   ARG  57          2HD       ARG  57  -3.317  -1.836  -8.132
  405    HE   ARG  57           HE       ARG  57  -5.143  -3.550  -7.821
  406   1HH1  ARG  57          2HH1      ARG  57  -5.270  -1.731 -10.767
  407   2HH1  ARG  57          1HH1      ARG  57  -6.346  -2.997 -11.559
  408   1HH2  ARG  57          1HH2      ARG  57  -6.298  -4.904  -8.718
  409   2HH2  ARG  57          2HH2      ARG  57  -6.836  -4.757 -10.462
  410    H    ILE  58           H        ILE  58  -2.450   0.575  -4.424
  411    HA   ILE  58           HA       ILE  58  -1.176   3.337  -4.382
  412    HB   ILE  58           HB       ILE  58  -0.950   0.964  -2.467
  413   1HG1  ILE  58          1HG1      ILE  58  -2.065   3.824  -2.069
  414   2HG1  ILE  58          2HG1      ILE  58  -3.012   2.367  -2.184
  415   1HG2  ILE  58          1HG2      ILE  58   1.332   2.056  -2.600
  416   2HG2  ILE  58          2HG2      ILE  58   0.613   3.642  -2.256
  417   3HG2  ILE  58          3HG2      ILE  58   0.596   2.353  -1.029
  418   1HD1  ILE  58          1HD1      ILE  58  -1.987   1.437  -0.060
  419   2HD1  ILE  58          2HD1      ILE  58  -1.109   2.973   0.157
  420   3HD1  ILE  58          3HD1      ILE  58  -2.886   2.957   0.172
  421    H    ASP  59           H        ASP  59   0.716   3.744  -5.409
  422    HA   ASP  59           HA       ASP  59   2.688   1.472  -5.913
  423   1HB   ASP  59          1HB       ASP  59   3.609   2.915  -7.704
  424   2HB   ASP  59          2HB       ASP  59   1.872   2.728  -7.897
  425    H    PHE  60           H        PHE  60   5.078   2.541  -6.099
  426    HA   PHE  60           HA       PHE  60   5.880   2.172  -3.330
  427   1HB   PHE  60          1HB       PHE  60   7.213   1.624  -5.476
  428   2HB   PHE  60          2HB       PHE  60   7.658   3.295  -5.579
  429    HD1  PHE  60           HD1      PHE  60   8.311   4.016  -2.705
  430    HD2  PHE  60           HD2      PHE  60   9.233   0.483  -4.969
  431    HE1  PHE  60           HE1      PHE  60  10.291   3.613  -1.288
  432    HE2  PHE  60           HE2      PHE  60  11.172   0.063  -3.526
  433    HZ   PHE  60           HZ       PHE  60  11.727   1.636  -1.696
  434    H    ASP  61           H        ASP  61   5.638   5.183  -5.176
  435    HA   ASP  61           HA       ASP  61   6.624   7.161  -3.267
  436   1HB   ASP  61          1HB       ASP  61   4.085   7.628  -5.027
  437   2HB   ASP  61          2HB       ASP  61   5.497   8.615  -4.738
  438    H    GLU  62           H        GLU  62   3.208   6.513  -3.796
  439    HA   GLU  62           HA       GLU  62   2.010   7.486  -1.360
  440   1HB   GLU  62          1HB       GLU  62   1.078   5.007  -2.876
  441   2HB   GLU  62          2HB       GLU  62   0.127   5.950  -1.768
  442   1HG   GLU  62          1HG       GLU  62   0.740   7.959  -3.588
  443   2HG   GLU  62          2HG       GLU  62   0.879   6.578  -4.660
  444    H    PHE  63           H        PHE  63   3.986   4.579  -1.635
  445    HA   PHE  63           HA       PHE  63   3.235   3.329   0.995
  446   1HB   PHE  63          1HB       PHE  63   4.433   2.189  -1.019
  447   2HB   PHE  63          2HB       PHE  63   5.872   3.034  -0.557
  448    HD1  PHE  63           HD1      PHE  63   7.219   2.431   1.401
  449    HD2  PHE  63           HD2      PHE  63   3.697   0.175   0.387
  450    HE1  PHE  63           HE1      PHE  63   7.886   0.678   2.964
  451    HE2  PHE  63           HE2      PHE  63   4.387  -1.580   1.971
  452    HZ   PHE  63           HZ       PHE  63   6.419  -1.277   3.349
  453    H    LEU  64           H        LEU  64   6.055   5.260  -0.064
  454    HA   LEU  64           HA       LEU  64   7.307   5.655   2.518
  455   1HB   LEU  64          1HB       LEU  64   7.368   7.396  -0.001
  456   2HB   LEU  64          2HB       LEU  64   8.340   7.772   1.402
  457    HG   LEU  64           HG       LEU  64   8.552   5.090  -0.096
  458   1HD1  LEU  64          1HD1      LEU  64  10.179   7.694  -0.497
  459   2HD1  LEU  64          2HD1      LEU  64  10.631   6.097  -1.153
  460   3HD1  LEU  64          3HD1      LEU  64   9.126   6.860  -1.673
  461   1HD2  LEU  64          1HD2      LEU  64  10.437   6.455   1.963
  462   2HD2  LEU  64          2HD2      LEU  64   9.523   4.935   2.188
  463   3HD2  LEU  64          3HD2      LEU  64  10.845   5.002   1.016
  464    H    LYS  65           H        LYS  65   4.688   7.536   1.073
  465    HA   LYS  65           HA       LYS  65   4.557   9.553   3.290
  466   1HB   LYS  65          1HB       LYS  65   2.663   8.864   0.970
  467   2HB   LYS  65          2HB       LYS  65   2.640  10.372   1.865
  468   1HG   LYS  65          1HG       LYS  65   5.265  10.377   0.859
  469   2HG   LYS  65          2HG       LYS  65   4.443   9.393  -0.366
  470   1HD   LYS  65          1HD       LYS  65   2.677  11.105  -0.669
  471   2HD   LYS  65          2HD       LYS  65   3.362  12.140   0.588
  472   1HE   LYS  65          1HE       LYS  65   5.530  12.047  -1.126
  473   2HE   LYS  65          2HE       LYS  65   4.271  11.597  -2.291
  474   1HZ   LYS  65          1HZ       LYS  65   3.748  14.001  -0.514
  475   2HZ   LYS  65          2HZ       LYS  65   4.699  14.177  -1.825
  476   3HZ   LYS  65          3HZ       LYS  65   3.175  13.708  -2.032
  477    H    MET  66           H        MET  66   2.305   6.886   2.293
  478    HA   MET  66           HA       MET  66   0.632   6.617   4.485
  479   1HB   MET  66          1HB       MET  66   0.311   5.004   2.814
  480   2HB   MET  66          2HB       MET  66   2.007   4.578   2.723
  481   1HG   MET  66          1HG       MET  66   1.920   3.207   4.765
  482   2HG   MET  66          2HG       MET  66   0.268   3.739   5.132
  483   1HE   MET  66          1HE       MET  66   2.142   0.888   4.161
  484   2HE   MET  66          2HE       MET  66   1.614   0.306   2.554
  485   3HE   MET  66          3HE       MET  66   2.620   1.781   2.683
  486    H    MET  67           H        MET  67   3.946   5.212   4.568
  487    HA   MET  67           HA       MET  67   3.901   4.593   7.466
  488   1HB   MET  67          1HB       MET  67   5.413   3.382   5.898
  489   2HB   MET  67          2HB       MET  67   6.234   4.871   5.475
  490   1HG   MET  67          1HG       MET  67   7.707   3.734   7.017
  491   2HG   MET  67          2HG       MET  67   7.035   5.107   7.917
  492   1HE   MET  67          1HE       MET  67   8.395   2.213   8.818
  493   2HE   MET  67          2HE       MET  67   7.224   0.990   9.402
  494   3HE   MET  67          3HE       MET  67   7.442   1.248   7.644
  495    H    GLU  68           H        GLU  68   5.760   7.091   5.692
  496    HA   GLU  68           HA       GLU  68   6.562   8.294   8.338
  497   1HB   GLU  68          1HB       GLU  68   8.619   8.258   7.575
  498   2HB   GLU  68          2HB       GLU  68   8.037   7.357   6.208
  499   1HG   GLU  68          1HG       GLU  68   7.955   9.432   4.793
  500   2HG   GLU  68          2HG       GLU  68   8.327  10.448   6.173
  501    H    GLY  69           H        GLY  69   4.714   9.255   5.615
  502   1HA   GLY  69          1HA       GLY  69   4.469  12.103   5.504
  503   2HA   GLY  69          2HA       GLY  69   3.071  11.028   5.610
  504    H    VAL  70           H        VAL  70   4.014  13.765   6.954
  505    HA   VAL  70           HA       VAL  70   2.218  13.093   9.356
  506    HB   VAL  70           HB       VAL  70   4.055  15.502   8.886
  507   1HG1  VAL  70          1HG1      VAL  70   2.106  15.017  11.253
  508   2HG1  VAL  70          2HG1      VAL  70   3.363  16.280  11.207
  509   3HG1  VAL  70          3HG1      VAL  70   2.015  16.343  10.070
  510   1HG2  VAL  70          1HG2      VAL  70   5.248  13.437   9.725
  511   2HG2  VAL  70          2HG2      VAL  70   5.257  14.707  10.939
  512   3HG2  VAL  70          3HG2      VAL  70   4.136  13.323  11.107
  513    H    GLN  71           H        GLN  71   0.254  14.163   9.581
  514    HA   GLN  71           HA       GLN  71  -0.708  15.902   7.276
  515   1HB   GLN  71          1HB       GLN  71  -2.986  15.040   7.824
  516   2HB   GLN  71          2HB       GLN  71  -1.836  13.781   7.382
  517   1HG   GLN  71          1HG       GLN  71  -1.492  13.613  10.078
  518   2HG   GLN  71          2HG       GLN  71  -3.061  14.393  10.148
  519   1HE2  GLN  71          1HE2      GLN  71  -4.771  11.415   9.132
  520   2HE2  GLN  71          2HE2      GLN  71  -4.866  13.253   9.307
  521   1HN   NH2  72          1HN       NH2  72   0.730  16.874   9.874
  522   2HN   NH2  72          2HN       NH2  72  -0.377  18.094  10.558
   
  No H/Q in entry =         522
  Start of MODEL   37
    1   1H    ACE   1          1HH3      ACE   1  21.992   5.959  -1.030
    2   2H    ACE   1          2HH3      ACE   1  22.961   7.302  -0.326
    3   3H    ACE   1          3HH3      ACE   1  23.450   5.602  -0.078
    4    H    LYS   2           H        LYS   2  20.537   7.614   0.435
    5    HA   LYS   2           HA       LYS   2  20.483   6.928   3.326
    6   1HB   LYS   2          1HB       LYS   2  19.201   8.927   1.541
    7   2HB   LYS   2          2HB       LYS   2  18.113   8.417   2.814
    8   1HG   LYS   2          1HG       LYS   2  19.727   9.246   4.563
    9   2HG   LYS   2          2HG       LYS   2  21.015   9.370   3.393
   10   1HD   LYS   2          1HD       LYS   2  20.011  11.612   4.056
   11   2HD   LYS   2          2HD       LYS   2  19.999  11.344   2.312
   12   1HE   LYS   2          1HE       LYS   2  17.592  10.432   2.515
   13   2HE   LYS   2          2HE       LYS   2  17.558  10.960   4.207
   14   1HZ   LYS   2          1HZ       LYS   2  18.403  13.002   2.131
   15   2HZ   LYS   2          2HZ       LYS   2  16.783  12.766   2.419
   16   3HZ   LYS   2          3HZ       LYS   2  17.819  13.253   3.561
   17    H    SER   3           H        SER   3  18.597   6.045   4.480
   18    HA   SER   3           HA       SER   3  17.155   3.813   3.790
   19   1HB   SER   3          1HB       SER   3  15.322   4.580   5.303
   20   2HB   SER   3          2HB       SER   3  16.910   4.851   5.982
   21    HG   SER   3           HG       SER   3  15.871   6.711   6.316
   22    H    GLU   4           H        GLU   4  16.610   3.411   1.738
   23    HA   GLU   4           HA       GLU   4  13.864   4.080   1.051
   24   1HB   GLU   4          1HB       GLU   4  13.775   5.383  -0.762
   25   2HB   GLU   4          2HB       GLU   4  15.097   6.084   0.140
   26   1HG   GLU   4          1HG       GLU   4  16.763   5.324  -1.507
   27   2HG   GLU   4          2HG       GLU   4  15.633   4.206  -2.263
   28    H    GLU   5           H        GLU   5  16.833   2.539   0.009
   29    HA   GLU   5           HA       GLU   5  15.573   0.803  -1.970
   30   1HB   GLU   5          1HB       GLU   5  18.050   1.694  -1.688
   31   2HB   GLU   5          2HB       GLU   5  18.320   0.199  -0.844
   32   1HG   GLU   5          1HG       GLU   5  18.328  -1.072  -2.813
   33   2HG   GLU   5          2HG       GLU   5  16.997  -0.191  -3.539
   34    H    GLU   6           H        GLU   6  16.065   0.248   1.437
   35    HA   GLU   6           HA       GLU   6  15.254  -2.628   1.212
   36   1HB   GLU   6          1HB       GLU   6  16.376  -0.887   3.382
   37   2HB   GLU   6          2HB       GLU   6  15.430  -2.245   3.910
   38   1HG   GLU   6          1HG       GLU   6  17.477  -3.351   3.865
   39   2HG   GLU   6          2HG       GLU   6  17.133  -3.587   2.161
   40    H    LEU   7           H        LEU   7  13.607   0.332   1.986
   41    HA   LEU   7           HA       LEU   7  10.918  -0.985   2.466
   42   1HB   LEU   7          1HB       LEU   7  11.698   1.870   1.660
   43   2HB   LEU   7          2HB       LEU   7  10.041   1.347   1.839
   44    HG   LEU   7           HG       LEU   7  12.008   2.128   3.924
   45   1HD1  LEU   7          1HD1      LEU   7   9.889   3.355   3.482
   46   2HD1  LEU   7          2HD1      LEU   7   8.920   1.917   3.893
   47   3HD1  LEU   7          3HD1      LEU   7   9.903   2.732   5.138
   48   1HD2  LEU   7          1HD2      LEU   7  10.234  -0.368   4.466
   49   2HD2  LEU   7          2HD2      LEU   7  12.017  -0.290   4.530
   50   3HD2  LEU   7          3HD2      LEU   7  11.059   0.597   5.719
   51    H    ALA   8           H        ALA   8  12.899  -0.102  -0.326
   52    HA   ALA   8           HA       ALA   8  10.883  -0.917  -2.324
   53   1HB   ALA   8          1HB       ALA   8  13.951  -0.552  -2.504
   54   2HB   ALA   8          2HB       ALA   8  12.860  -0.729  -3.892
   55   3HB   ALA   8          3HB       ALA   8  12.706   0.676  -2.831
   56    H    ASN   9           H        ASN   9  13.668  -2.740  -0.951
   57    HA   ASN   9           HA       ASN   9  12.895  -5.369  -2.068
   58   1HB   ASN   9          1HB       ASN   9  14.428  -4.851   0.571
   59   2HB   ASN   9          2HB       ASN   9  14.461  -6.304  -0.388
   60   1HD2  ASN   9          1HD2      ASN   9  16.349  -4.080  -2.921
   61   2HD2  ASN   9          2HD2      ASN   9  14.601  -4.588  -2.930
   62    H    ALA  10           H        ALA  10  11.917  -3.712   0.930
   63    HA   ALA  10           HA       ALA  10  10.034  -5.760   1.907
   64   1HB   ALA  10          1HB       ALA  10  11.000  -3.908   3.283
   65   2HB   ALA  10          2HB       ALA  10  10.072  -2.697   2.361
   66   3HB   ALA  10          3HB       ALA  10   9.227  -3.897   3.363
   67    H    PHE  11           H        PHE  11   9.393  -2.841  -0.089
   68    HA   PHE  11           HA       PHE  11   6.563  -3.306  -0.553
   69   1HB   PHE  11          1HB       PHE  11   7.724  -1.131  -0.868
   70   2HB   PHE  11          2HB       PHE  11   8.617  -1.753  -2.215
   71    HD1  PHE  11           HD1      PHE  11   4.944  -2.523  -1.907
   72    HD2  PHE  11           HD2      PHE  11   7.917  -0.042  -3.783
   73    HE1  PHE  11           HE1      PHE  11   3.226  -1.565  -3.392
   74    HE2  PHE  11           HE2      PHE  11   6.193   0.876  -5.280
   75    HZ   PHE  11           HZ       PHE  11   3.849   0.148  -5.068
   76    H    ARG  12           H        ARG  12   9.268  -4.165  -2.791
   77    HA   ARG  12           HA       ARG  12   7.837  -5.922  -4.530
   78   1HB   ARG  12          1HB       ARG  12  10.064  -5.498  -5.137
   79   2HB   ARG  12          2HB       ARG  12  10.716  -5.875  -3.547
   80   1HG   ARG  12          1HG       ARG  12  11.128  -8.046  -4.156
   81   2HG   ARG  12          2HG       ARG  12   9.444  -8.309  -4.625
   82   1HD   ARG  12          1HD       ARG  12  10.313  -6.785  -6.795
   83   2HD   ARG  12          2HD       ARG  12  11.831  -7.612  -6.350
   84    HE   ARG  12           HE       ARG  12   9.206  -9.087  -6.977
   85   1HH1  ARG  12          2HH1      ARG  12  12.669  -9.095  -6.857
   86   2HH1  ARG  12          1HH1      ARG  12  12.774 -10.737  -7.656
   87   1HH2  ARG  12          1HH2      ARG  12   9.342 -10.929  -7.846
   88   2HH2  ARG  12          2HH2      ARG  12  10.950 -11.722  -8.182
   89    H    ILE  13           H        ILE  13   9.086  -6.761  -1.278
   90    HA   ILE  13           HA       ILE  13   8.693  -9.708  -1.566
   91    HB   ILE  13           HB       ILE  13   9.413  -7.900   0.781
   92   1HG1  ILE  13          1HG1      ILE  13  11.186  -8.756  -0.998
   93   2HG1  ILE  13          2HG1      ILE  13  11.583  -8.775   0.699
   94   1HG2  ILE  13          1HG2      ILE  13   7.946  -9.694   1.787
   95   2HG2  ILE  13          2HG2      ILE  13   8.916 -10.962   1.002
   96   3HG2  ILE  13          3HG2      ILE  13   9.610  -9.946   2.281
   97   1HD1  ILE  13          1HD1      ILE  13  11.062 -11.229   0.897
   98   2HD1  ILE  13          2HD1      ILE  13  10.709 -11.289  -0.847
   99   3HD1  ILE  13          3HD1      ILE  13  12.344 -10.885  -0.287
  100    H    PHE  14           H        PHE  14   6.777  -7.025  -0.351
  101    HA   PHE  14           HA       PHE  14   4.470  -8.609   0.722
  102   1HB   PHE  14          1HB       PHE  14   4.728  -5.673  -0.209
  103   2HB   PHE  14          2HB       PHE  14   3.241  -6.338   0.384
  104    HD1  PHE  14           HD1      PHE  14   6.447  -7.399   1.951
  105    HD2  PHE  14           HD2      PHE  14   3.099  -4.724   2.240
  106    HE1  PHE  14           HE1      PHE  14   7.103  -6.819   4.254
  107    HE2  PHE  14           HE2      PHE  14   3.772  -4.131   4.533
  108    HZ   PHE  14           HZ       PHE  14   5.775  -5.166   5.544
  109    H    ASP  15           H        ASP  15   5.249  -7.110  -2.415
  110    HA   ASP  15           HA       ASP  15   2.694  -7.743  -3.696
  111   1HB   ASP  15          1HB       ASP  15   4.173  -5.813  -4.284
  112   2HB   ASP  15          2HB       ASP  15   5.400  -6.898  -4.919
  113    H    LYS  16           H        LYS  16   1.946  -9.700  -4.283
  114    HA   LYS  16           HA       LYS  16   3.954 -11.982  -4.476
  115   1HB   LYS  16          1HB       LYS  16   1.880 -13.485  -3.964
  116   2HB   LYS  16          2HB       LYS  16   2.637 -12.626  -2.653
  117   1HG   LYS  16          1HG       LYS  16   0.720 -11.267  -2.294
  118   2HG   LYS  16          2HG       LYS  16   0.311 -11.210  -4.004
  119   1HD   LYS  16          1HD       LYS  16   0.042 -13.933  -2.696
  120   2HD   LYS  16          2HD       LYS  16  -1.041 -12.678  -2.100
  121   1HE   LYS  16          1HE       LYS  16  -2.470 -12.913  -3.808
  122   2HE   LYS  16          2HE       LYS  16  -1.214 -12.510  -4.996
  123   1HZ   LYS  16          1HZ       LYS  16  -1.184 -15.259  -3.732
  124   2HZ   LYS  16          2HZ       LYS  16  -2.268 -14.962  -4.909
  125   3HZ   LYS  16          3HZ       LYS  16  -0.663 -14.856  -5.248
  126    H    ASN  17           H        ASN  17   2.493 -10.005  -6.573
  127    HA   ASN  17           HA       ASN  17   2.623 -12.226  -8.668
  128   1HB   ASN  17          1HB       ASN  17   0.918  -9.810  -9.263
  129   2HB   ASN  17          2HB       ASN  17   0.723 -11.466  -9.770
  130   1HD2  ASN  17          1HD2      ASN  17  -0.894 -11.926  -6.343
  131   2HD2  ASN  17          2HD2      ASN  17   0.560 -12.654  -7.100
  132    H    ALA  18           H        ALA  18   3.299  -8.731  -8.130
  133    HA   ALA  18           HA       ALA  18   5.564  -7.852  -8.403
  134   1HB   ALA  18          1HB       ALA  18   6.312 -10.261  -8.373
  135   2HB   ALA  18          2HB       ALA  18   5.974 -10.383 -10.114
  136   3HB   ALA  18          3HB       ALA  18   7.254  -9.298  -9.543
  137    H    ASP  19           H        ASP  19   3.391  -6.899 -10.035
  138    HA   ASP  19           HA       ASP  19   5.085  -5.739 -12.295
  139   1HB   ASP  19          1HB       ASP  19   3.070  -5.005 -13.314
  140   2HB   ASP  19          2HB       ASP  19   2.632  -6.562 -12.627
  141    H    GLY  20           H        GLY  20   5.284  -5.227  -9.245
  142   1HA   GLY  20          1HA       GLY  20   6.231  -3.382  -7.989
  143   2HA   GLY  20          2HA       GLY  20   6.091  -2.399  -9.452
  144    H    TYR  21           H        TYR  21   3.049  -3.624  -8.601
  145    HA   TYR  21           HA       TYR  21   2.293  -1.105  -7.003
  146   1HB   TYR  21          1HB       TYR  21   0.483  -2.851  -8.795
  147   2HB   TYR  21          2HB       TYR  21  -0.029  -1.452  -7.898
  148    HD1  TYR  21           HD1      TYR  21   2.989  -2.003 -10.133
  149    HD2  TYR  21           HD2      TYR  21  -0.555   0.314  -9.376
  150    HE1  TYR  21           HE1      TYR  21   3.542  -0.522 -12.022
  151    HE2  TYR  21           HE2      TYR  21   0.023   1.782 -11.279
  152    HH   TYR  21           HH       TYR  21   2.016   1.053 -13.646
  153    H    ILE  22           H        ILE  22   0.599  -1.316  -5.361
  154    HA   ILE  22           HA       ILE  22  -0.090  -4.156  -4.443
  155    HB   ILE  22           HB       ILE  22  -0.455  -1.531  -2.900
  156   1HG1  ILE  22          1HG1      ILE  22   1.817  -3.591  -2.809
  157   2HG1  ILE  22          2HG1      ILE  22   1.920  -1.853  -2.874
  158   1HG2  ILE  22          1HG2      ILE  22  -2.120  -3.302  -2.179
  159   2HG2  ILE  22          2HG2      ILE  22  -0.801  -4.457  -1.903
  160   3HG2  ILE  22          3HG2      ILE  22  -0.963  -2.997  -0.894
  161   1HD1  ILE  22          1HD1      ILE  22   1.028  -1.656  -0.496
  162   2HD1  ILE  22          2HD1      ILE  22   1.117  -3.431  -0.363
  163   3HD1  ILE  22          3HD1      ILE  22   2.597  -2.488  -0.640
  164    H    ASP  23           H        ASP  23  -2.274  -4.775  -4.114
  165    HA   ASP  23           HA       ASP  23  -4.447  -2.915  -5.165
  166   1HB   ASP  23          1HB       ASP  23  -5.824  -5.095  -5.219
  167   2HB   ASP  23          2HB       ASP  23  -4.446  -5.024  -6.308
  168    H    ILE  24           H        ILE  24  -6.642  -3.242  -4.061
  169    HA   ILE  24           HA       ILE  24  -6.454  -2.131  -1.269
  170    HB   ILE  24           HB       ILE  24  -8.283  -1.633  -3.141
  171   1HG1  ILE  24          1HG1      ILE  24  -9.362  -1.849  -0.263
  172   2HG1  ILE  24          2HG1      ILE  24  -8.110  -0.704  -0.659
  173   1HG2  ILE  24          1HG2      ILE  24  -9.224  -3.983  -3.316
  174   2HG2  ILE  24          2HG2      ILE  24  -9.680  -3.942  -1.601
  175   3HG2  ILE  24          3HG2      ILE  24 -10.467  -2.865  -2.782
  176   1HD1  ILE  24          1HD1      ILE  24  -9.580   0.366  -2.441
  177   2HD1  ILE  24          2HD1      ILE  24 -10.925  -0.662  -1.888
  178   3HD1  ILE  24          3HD1      ILE  24 -10.199   0.518  -0.776
  179    H    GLU  25           H        GLU  25  -6.902  -5.263  -2.731
  180    HA   GLU  25           HA       GLU  25  -7.974  -6.630  -0.285
  181   1HB   GLU  25          1HB       GLU  25  -8.179  -7.182  -2.948
  182   2HB   GLU  25          2HB       GLU  25  -6.887  -8.275  -2.553
  183   1HG   GLU  25          1HG       GLU  25  -9.659  -8.285  -1.158
  184   2HG   GLU  25          2HG       GLU  25  -9.198  -9.358  -2.467
  185    H    GLU  26           H        GLU  26  -4.809  -6.208  -1.733
  186    HA   GLU  26           HA       GLU  26  -3.337  -7.961   0.205
  187   1HB   GLU  26          1HB       GLU  26  -2.388  -5.957  -1.878
  188   2HB   GLU  26          2HB       GLU  26  -1.280  -6.691  -0.759
  189   1HG   GLU  26          1HG       GLU  26  -1.890  -9.008  -1.682
  190   2HG   GLU  26          2HG       GLU  26  -2.999  -8.260  -2.816
  191    H    LEU  27           H        LEU  27  -4.351  -4.614   0.172
  192    HA   LEU  27           HA       LEU  27  -2.511  -3.297   2.040
  193   1HB   LEU  27          1HB       LEU  27  -4.237  -2.141   0.674
  194   2HB   LEU  27          2HB       LEU  27  -5.522  -2.883   1.592
  195    HG   LEU  27           HG       LEU  27  -5.469  -1.298   3.229
  196   1HD1  LEU  27          1HD1      LEU  27  -3.472  -2.364   4.282
  197   2HD1  LEU  27          2HD1      LEU  27  -2.371  -1.399   3.258
  198   3HD1  LEU  27          3HD1      LEU  27  -3.433  -0.612   4.461
  199   1HD2  LEU  27          1HD2      LEU  27  -3.428   0.155   1.385
  200   2HD2  LEU  27          2HD2      LEU  27  -5.210   0.228   1.245
  201   3HD2  LEU  27          3HD2      LEU  27  -4.414   0.903   2.672
  202    H    GLY  28           H        GLY  28  -5.765  -4.425   3.064
  203   1HA   GLY  28          1HA       GLY  28  -5.423  -3.970   5.920
  204   2HA   GLY  28          2HA       GLY  28  -6.554  -5.139   5.227
  205    H    GLU  29           H        GLU  29  -4.665  -6.912   4.038
  206    HA   GLU  29           HA       GLU  29  -4.180  -8.577   6.486
  207   1HB   GLU  29          1HB       GLU  29  -4.303 -10.431   5.192
  208   2HB   GLU  29          2HB       GLU  29  -5.302  -9.340   4.281
  209   1HG   GLU  29          1HG       GLU  29  -4.103 -10.086   2.445
  210   2HG   GLU  29          2HG       GLU  29  -2.842  -8.977   2.954
  211    H    ILE  30           H        ILE  30  -2.152  -6.906   4.176
  212    HA   ILE  30           HA       ILE  30   0.521  -7.584   5.300
  213    HB   ILE  30           HB       ILE  30  -0.576  -5.118   3.885
  214   1HG1  ILE  30          1HG1      ILE  30   0.928  -5.639   2.066
  215   2HG1  ILE  30          2HG1      ILE  30   1.908  -6.704   3.037
  216   1HG2  ILE  30          1HG2      ILE  30   1.025  -4.218   5.613
  217   2HG2  ILE  30          2HG2      ILE  30   2.290  -5.344   5.055
  218   3HG2  ILE  30          3HG2      ILE  30   1.697  -4.033   3.996
  219   1HD1  ILE  30          1HD1      ILE  30  -0.944  -7.477   2.125
  220   2HD1  ILE  30          2HD1      ILE  30   0.598  -8.041   1.448
  221   3HD1  ILE  30          3HD1      ILE  30   0.160  -8.468   3.113
  222    H    LEU  31           H        LEU  31  -1.627  -4.819   6.048
  223    HA   LEU  31           HA       LEU  31  -0.286  -3.822   8.354
  224   1HB   LEU  31          1HB       LEU  31  -3.296  -3.705   8.477
  225   2HB   LEU  31          2HB       LEU  31  -2.122  -2.451   8.793
  226    HG   LEU  31           HG       LEU  31  -3.293  -3.325   6.122
  227   1HD1  LEU  31          1HD1      LEU  31  -2.848  -0.586   7.491
  228   2HD1  LEU  31          2HD1      LEU  31  -3.575  -0.830   5.880
  229   3HD1  LEU  31          3HD1      LEU  31  -4.385  -1.478   7.309
  230   1HD2  LEU  31          1HD2      LEU  31  -0.625  -1.770   6.438
  231   2HD2  LEU  31          2HD2      LEU  31  -0.861  -3.330   5.601
  232   3HD2  LEU  31          3HD2      LEU  31  -1.579  -1.860   4.934
  233    H    ARG  32           H        ARG  32  -2.635  -6.468   8.344
  234    HA   ARG  32           HA       ARG  32  -2.710  -6.847  11.263
  235   1HB   ARG  32          1HB       ARG  32  -4.219  -7.509   9.075
  236   2HB   ARG  32          2HB       ARG  32  -3.449  -9.074   9.329
  237   1HG   ARG  32          1HG       ARG  32  -4.323  -9.041  11.744
  238   2HG   ARG  32          2HG       ARG  32  -5.057  -7.459  11.425
  239   1HD   ARG  32          1HD       ARG  32  -6.946  -8.576  10.718
  240   2HD   ARG  32          2HD       ARG  32  -6.033  -9.024   9.260
  241    HE   ARG  32           HE       ARG  32  -5.889 -11.277  10.110
  242   1HH1  ARG  32          2HH1      ARG  32  -6.429  -9.188  12.833
  243   2HH1  ARG  32          1HH1      ARG  32  -6.594 -10.601  13.979
  244   1HH2  ARG  32          1HH2      ARG  32  -6.067 -12.842  11.433
  245   2HH2  ARG  32          2HH2      ARG  32  -6.416 -12.561  13.200
  246    H    ALA  33           H        ALA  33  -1.166  -8.901   8.761
  247    HA   ALA  33           HA       ALA  33   1.145  -9.715  10.553
  248   1HB   ALA  33          1HB       ALA  33  -0.815 -10.946  11.471
  249   2HB   ALA  33          2HB       ALA  33  -1.174 -11.640   9.866
  250   3HB   ALA  33          3HB       ALA  33   0.324 -12.074  10.718
  251    H    THR  34           H        THR  34   1.386 -12.364   9.190
  252    HA   THR  34           HA       THR  34   2.689 -11.452   6.621
  253    HB   THR  34           HB       THR  34   4.963 -11.743   7.240
  254    HG1  THR  34           HG1      THR  34   3.927 -12.939   9.575
  255   1HG2  THR  34          2HG2      THR  34   3.877  -9.594   8.169
  256   2HG2  THR  34          3HG2      THR  34   3.688 -10.418   9.738
  257   3HG2  THR  34          1HG2      THR  34   5.310 -10.111   9.094
  258    H    GLY  35           H        GLY  35   2.221 -14.117   9.005
  259   1HA   GLY  35          1HA       GLY  35   1.944 -16.511   8.426
  260   2HA   GLY  35          2HA       GLY  35   2.604 -16.185   6.819
  261   1HN   NH2  36          1HN       NH2  36   3.306 -18.441   8.561
  262   2HN   NH2  36          2HN       NH2  36   5.038 -18.298   8.964
  263   1H    ACE  37          1HH3      ACE  37 -12.166  -6.377  13.763
  264   2H    ACE  37          2HH3      ACE  37 -10.700  -7.387  13.523
  265   3H    ACE  37          3HH3      ACE  37 -10.620  -5.912  14.521
  266    H    VAL  38           H        VAL  38 -11.820  -6.681  11.210
  267    HA   VAL  38           HA       VAL  38 -10.547  -4.257  10.033
  268    HB   VAL  38           HB       VAL  38  -9.149  -5.745   8.343
  269   1HG1  VAL  38          1HG1      VAL  38  -8.111  -5.010  11.177
  270   2HG1  VAL  38          2HG1      VAL  38  -7.059  -5.427   9.805
  271   3HG1  VAL  38          3HG1      VAL  38  -8.070  -3.980   9.735
  272   1HG2  VAL  38          1HG2      VAL  38  -9.677  -8.013   9.341
  273   2HG2  VAL  38          2HG2      VAL  38  -7.940  -7.661   9.463
  274   3HG2  VAL  38          3HG2      VAL  38  -8.986  -7.496  10.895
  275    H    THR  39           H        THR  39 -12.319  -3.693   8.888
  276    HA   THR  39           HA       THR  39 -14.199  -5.848   7.786
  277    HB   THR  39           HB       THR  39 -14.660  -3.139   8.983
  278    HG1  THR  39           HG1      THR  39 -16.712  -4.101   9.330
  279   1HG2  THR  39          2HG2      THR  39 -16.315  -4.074   6.533
  280   2HG2  THR  39          3HG2      THR  39 -16.747  -2.724   7.611
  281   3HG2  THR  39          1HG2      THR  39 -15.286  -2.623   6.606
  282    H    GLU  40           H        GLU  40 -15.256  -5.236   5.701
  283    HA   GLU  40           HA       GLU  40 -13.387  -4.446   3.512
  284   1HB   GLU  40          1HB       GLU  40 -16.411  -4.845   3.405
  285   2HB   GLU  40          2HB       GLU  40 -15.384  -4.611   2.023
  286   1HG   GLU  40          1HG       GLU  40 -14.814  -7.000   3.879
  287   2HG   GLU  40          2HG       GLU  40 -16.165  -7.090   2.764
  288    H    GLU  41           H        GLU  41 -16.387  -2.850   4.642
  289    HA   GLU  41           HA       GLU  41 -16.028  -0.436   3.175
  290   1HB   GLU  41          1HB       GLU  41 -18.066  -1.475   4.555
  291   2HB   GLU  41          2HB       GLU  41 -17.588  -0.326   5.767
  292   1HG   GLU  41          1HG       GLU  41 -18.038   1.598   4.236
  293   2HG   GLU  41          2HG       GLU  41 -18.269   0.531   2.863
  294    H    ASP  42           H        ASP  42 -14.544  -1.161   6.249
  295    HA   ASP  42           HA       ASP  42 -13.582   1.588   6.754
  296   1HB   ASP  42          1HB       ASP  42 -12.912  -1.150   7.995
  297   2HB   ASP  42          2HB       ASP  42 -12.162   0.336   8.560
  298    H    ILE  43           H        ILE  43 -11.980  -1.267   5.374
  299    HA   ILE  43           HA       ILE  43  -9.402   0.084   4.654
  300    HB   ILE  43           HB       ILE  43 -10.717  -2.507   3.742
  301   1HG1  ILE  43          1HG1      ILE  43  -7.834  -2.261   4.761
  302   2HG1  ILE  43          2HG1      ILE  43  -9.138  -2.170   5.914
  303   1HG2  ILE  43          1HG2      ILE  43  -9.682  -1.572   1.637
  304   2HG2  ILE  43          2HG2      ILE  43  -8.142  -1.310   2.478
  305   3HG2  ILE  43          3HG2      ILE  43  -8.753  -2.958   2.189
  306   1HD1  ILE  43          1HD1      ILE  43 -10.039  -4.422   5.193
  307   2HD1  ILE  43          2HD1      ILE  43  -8.633  -4.616   4.113
  308   3HD1  ILE  43          3HD1      ILE  43  -8.395  -4.480   5.868
  309    H    GLU  44           H        GLU  44 -12.617  -0.086   3.270
  310    HA   GLU  44           HA       GLU  44 -11.889   1.371   0.751
  311   1HB   GLU  44          1HB       GLU  44 -14.328   0.079   1.845
  312   2HB   GLU  44          2HB       GLU  44 -14.670   1.514   0.928
  313   1HG   GLU  44          1HG       GLU  44 -12.789  -0.437  -0.453
  314   2HG   GLU  44          2HG       GLU  44 -14.413  -1.039  -0.176
  315    H    ASP  45           H        ASP  45 -12.990   2.300   3.922
  316    HA   ASP  45           HA       ASP  45 -13.628   5.172   3.335
  317   1HB   ASP  45          1HB       ASP  45 -13.227   3.480   5.846
  318   2HB   ASP  45          2HB       ASP  45 -13.146   5.230   5.994
  319    H    LEU  46           H        LEU  46 -10.739   3.468   4.567
  320    HA   LEU  46           HA       LEU  46  -8.946   5.846   4.419
  321   1HB   LEU  46          1HB       LEU  46  -8.642   3.879   5.934
  322   2HB   LEU  46          2HB       LEU  46  -8.278   2.846   4.572
  323    HG   LEU  46           HG       LEU  46  -6.233   4.441   4.084
  324   1HD1  LEU  46          1HD1      LEU  46  -7.297   6.149   5.922
  325   2HD1  LEU  46          2HD1      LEU  46  -6.295   5.156   7.019
  326   3HD1  LEU  46          3HD1      LEU  46  -5.534   6.000   5.663
  327   1HD2  LEU  46          1HD2      LEU  46  -6.384   2.068   5.592
  328   2HD2  LEU  46          2HD2      LEU  46  -4.873   2.925   5.167
  329   3HD2  LEU  46          3HD2      LEU  46  -5.624   3.211   6.738
  330    H    MET  47           H        MET  47  -9.108   3.023   2.221
  331    HA   MET  47           HA       MET  47  -7.397   4.331   0.186
  332   1HB   MET  47          1HB       MET  47  -8.004   1.721   0.765
  333   2HB   MET  47          2HB       MET  47  -9.106   1.961  -0.581
  334   1HG   MET  47          1HG       MET  47  -6.336   2.971  -1.180
  335   2HG   MET  47          2HG       MET  47  -6.439   1.227  -0.876
  336   1HE   MET  47          1HE       MET  47  -5.782   3.117  -3.505
  337   2HE   MET  47          2HE       MET  47  -5.487   1.354  -3.519
  338   3HE   MET  47          3HE       MET  47  -6.446   2.099  -4.830
  339    H    LYS  48           H        LYS  48 -10.639   5.014   0.857
  340    HA   LYS  48           HA       LYS  48 -10.910   6.261  -1.908
  341   1HB   LYS  48          1HB       LYS  48 -13.191   6.412  -1.527
  342   2HB   LYS  48          2HB       LYS  48 -12.800   4.889  -0.790
  343   1HG   LYS  48          1HG       LYS  48 -14.122   5.732   0.968
  344   2HG   LYS  48          2HG       LYS  48 -12.636   6.477   1.466
  345   1HD   LYS  48          1HD       LYS  48 -13.917   8.366   1.553
  346   2HD   LYS  48          2HD       LYS  48 -13.351   8.576  -0.071
  347   1HE   LYS  48          1HE       LYS  48 -15.709   7.129  -0.586
  348   2HE   LYS  48          2HE       LYS  48 -16.134   7.844   0.959
  349   1HZ   LYS  48          1HZ       LYS  48 -14.955   9.739  -1.051
  350   2HZ   LYS  48          2HZ       LYS  48 -16.496   9.248  -1.263
  351   3HZ   LYS  48          3HZ       LYS  48 -16.140  10.026   0.070
  352    H    ASP  49           H        ASP  49 -10.282   7.078   1.425
  353    HA   ASP  49           HA       ASP  49 -10.234  10.075   1.042
  354   1HB   ASP  49          1HB       ASP  49 -10.576   8.920   3.310
  355   2HB   ASP  49          2HB       ASP  49  -8.887   8.433   3.280
  356    H    SER  50           H        SER  50  -7.883   7.432   0.881
  357    HA   SER  50           HA       SER  50  -5.623   9.336   0.297
  358   1HB   SER  50          1HB       SER  50  -5.338   7.587   2.037
  359   2HB   SER  50          2HB       SER  50  -5.691   6.300   0.889
  360    HG   SER  50           HG       SER  50  -3.782   6.567  -0.066
  361    H    ASP  51           H        ASP  51  -7.281   6.680  -1.398
  362    HA   ASP  51           HA       ASP  51  -5.646   6.407  -3.707
  363   1HB   ASP  51          1HB       ASP  51  -7.519   4.892  -3.132
  364   2HB   ASP  51          2HB       ASP  51  -8.711   6.139  -3.470
  365    H    LYS  52           H        LYS  52  -4.765   8.056  -4.720
  366    HA   LYS  52           HA       LYS  52  -6.100  10.572  -5.678
  367   1HB   LYS  52          1HB       LYS  52  -3.487   9.148  -6.409
  368   2HB   LYS  52          2HB       LYS  52  -3.934  10.656  -7.145
  369   1HG   LYS  52          1HG       LYS  52  -2.883  10.067  -4.341
  370   2HG   LYS  52          2HG       LYS  52  -2.488  11.375  -5.412
  371   1HD   LYS  52          1HD       LYS  52  -4.971  12.252  -4.953
  372   2HD   LYS  52          2HD       LYS  52  -4.930  11.268  -3.528
  373   1HE   LYS  52          1HE       LYS  52  -3.504  12.786  -2.402
  374   2HE   LYS  52          2HE       LYS  52  -2.442  12.955  -3.799
  375   1HZ   LYS  52          1HZ       LYS  52  -5.160  14.192  -4.054
  376   2HZ   LYS  52          2HZ       LYS  52  -4.180  14.967  -3.080
  377   3HZ   LYS  52          3HZ       LYS  52  -3.758  14.759  -4.668
  378    H    ASN  53           H        ASN  53  -4.735   7.890  -7.617
  379    HA   ASN  53           HA       ASN  53  -5.862   9.001 -10.029
  380   1HB   ASN  53          1HB       ASN  53  -4.911   6.858 -11.133
  381   2HB   ASN  53          2HB       ASN  53  -3.786   7.801 -10.197
  382   1HD2  ASN  53          1HD2      ASN  53  -3.175   5.141  -7.909
  383   2HD2  ASN  53          2HD2      ASN  53  -2.939   6.910  -8.270
  384    H    ASN  54           H        ASN  54  -7.487   6.941  -7.864
  385    HA   ASN  54           HA       ASN  54  -9.702   6.031  -7.878
  386   1HB   ASN  54          1HB       ASN  54  -9.914   8.215 -10.044
  387   2HB   ASN  54          2HB       ASN  54 -11.262   7.152  -9.752
  388   1HD2  ASN  54          1HD2      ASN  54 -11.667   8.613  -6.362
  389   2HD2  ASN  54          2HD2      ASN  54 -11.539   6.950  -7.092
  390    H    ASP  55           H        ASP  55  -7.518   4.874  -9.561
  391    HA   ASP  55           HA       ASP  55  -9.217   3.027 -11.316
  392   1HB   ASP  55          1HB       ASP  55  -6.166   2.833 -11.091
  393   2HB   ASP  55          2HB       ASP  55  -7.210   2.279 -12.392
  394    H    GLY  56           H        GLY  56  -7.894   3.296  -8.180
  395   1HA   GLY  56          1HA       GLY  56  -8.689   1.878  -6.336
  396   2HA   GLY  56          2HA       GLY  56  -8.996   0.578  -7.494
  397    H    ARG  57           H        ARG  57  -5.829   2.022  -7.503
  398    HA   ARG  57           HA       ARG  57  -4.551  -0.304  -6.014
  399   1HB   ARG  57          1HB       ARG  57  -3.266  -0.981  -8.103
  400   2HB   ARG  57          2HB       ARG  57  -4.986  -1.371  -8.104
  401   1HG   ARG  57          1HG       ARG  57  -5.025   1.156  -9.330
  402   2HG   ARG  57          2HG       ARG  57  -3.434   0.587  -9.832
  403   1HD   ARG  57          1HD       ARG  57  -5.578  -1.513 -10.146
  404   2HD   ARG  57          2HD       ARG  57  -5.908  -0.040 -11.054
  405    HE   ARG  57           HE       ARG  57  -3.301  -0.190 -11.798
  406   1HH1  ARG  57          2HH1      ARG  57  -5.574  -2.806 -11.723
  407   2HH1  ARG  57          1HH1      ARG  57  -4.677  -3.687 -13.067
  408   1HH2  ARG  57          1HH2      ARG  57  -2.339  -1.193 -13.225
  409   2HH2  ARG  57          2HH2      ARG  57  -2.946  -2.779 -13.913
  410    H    ILE  58           H        ILE  58  -2.383  -0.125  -5.562
  411    HA   ILE  58           HA       ILE  58  -1.566   2.787  -5.269
  412    HB   ILE  58           HB       ILE  58  -1.128   0.346  -3.483
  413   1HG1  ILE  58          1HG1      ILE  58  -2.654   2.998  -3.025
  414   2HG1  ILE  58          2HG1      ILE  58  -3.369   1.428  -3.259
  415   1HG2  ILE  58          1HG2      ILE  58   0.992   1.729  -3.377
  416   2HG2  ILE  58          2HG2      ILE  58   0.047   3.182  -2.995
  417   3HG2  ILE  58          3HG2      ILE  58   0.118   1.821  -1.852
  418   1HD1  ILE  58          1HD1      ILE  58  -2.346   0.553  -1.109
  419   2HD1  ILE  58          2HD1      ILE  58  -1.717   2.187  -0.776
  420   3HD1  ILE  58          3HD1      ILE  58  -3.470   1.916  -0.877
  421    H    ASP  59           H        ASP  59   0.552   3.518  -5.552
  422    HA   ASP  59           HA       ASP  59   2.750   1.463  -6.142
  423   1HB   ASP  59          1HB       ASP  59   3.758   3.140  -7.711
  424   2HB   ASP  59          2HB       ASP  59   2.148   2.637  -8.206
  425    H    PHE  60           H        PHE  60   4.958   3.130  -6.096
  426    HA   PHE  60           HA       PHE  60   5.586   2.363  -3.356
  427   1HB   PHE  60          1HB       PHE  60   7.150   2.372  -5.411
  428   2HB   PHE  60          2HB       PHE  60   7.343   4.081  -5.210
  429    HD1  PHE  60           HD1      PHE  60   8.062   4.855  -2.685
  430    HD2  PHE  60           HD2      PHE  60   8.880   1.005  -4.404
  431    HE1  PHE  60           HE1      PHE  60   9.973   4.586  -1.169
  432    HE2  PHE  60           HE2      PHE  60  10.804   0.743  -2.879
  433    HZ   PHE  60           HZ       PHE  60  11.320   2.511  -1.219
  434    H    ASP  61           H        ASP  61   5.129   5.601  -4.716
  435    HA   ASP  61           HA       ASP  61   5.705   7.371  -2.488
  436   1HB   ASP  61          1HB       ASP  61   3.200   7.729  -4.323
  437   2HB   ASP  61          2HB       ASP  61   4.424   8.860  -3.793
  438    H    GLU  62           H        GLU  62   2.451   6.326  -3.320
  439    HA   GLU  62           HA       GLU  62   0.915   6.701  -0.945
  440   1HB   GLU  62          1HB       GLU  62   0.809   4.549  -3.069
  441   2HB   GLU  62          2HB       GLU  62  -0.225   4.407  -1.680
  442   1HG   GLU  62          1HG       GLU  62  -1.274   5.514  -3.786
  443   2HG   GLU  62          2HG       GLU  62  -1.524   6.388  -2.284
  444    H    PHE  63           H        PHE  63   3.200   4.037  -1.475
  445    HA   PHE  63           HA       PHE  63   2.553   2.399   0.936
  446   1HB   PHE  63          1HB       PHE  63   3.868   1.635  -1.122
  447   2HB   PHE  63          2HB       PHE  63   5.203   2.615  -0.616
  448    HD1  PHE  63           HD1      PHE  63   5.858   2.155   2.120
  449    HD2  PHE  63           HD2      PHE  63   4.060  -0.691  -0.561
  450    HE1  PHE  63           HE1      PHE  63   6.867   0.295   3.391
  451    HE2  PHE  63           HE2      PHE  63   4.992  -2.521   0.768
  452    HZ   PHE  63           HZ       PHE  63   6.559  -2.037   2.623
  453    H    LEU  64           H        LEU  64   5.130   4.820   0.358
  454    HA   LEU  64           HA       LEU  64   6.197   4.977   3.023
  455   1HB   LEU  64          1HB       LEU  64   6.023   7.122   0.848
  456   2HB   LEU  64          2HB       LEU  64   6.889   7.397   2.343
  457    HG   LEU  64           HG       LEU  64   7.617   4.956   0.655
  458   1HD1  LEU  64          1HD1      LEU  64   8.479   7.868   0.051
  459   2HD1  LEU  64          2HD1      LEU  64   9.265   6.413  -0.619
  460   3HD1  LEU  64          3HD1      LEU  64   7.573   6.746  -1.001
  461   1HD2  LEU  64          1HD2      LEU  64   9.269   6.840   2.495
  462   2HD2  LEU  64          2HD2      LEU  64   8.801   5.149   2.835
  463   3HD2  LEU  64          3HD2      LEU  64   9.949   5.501   1.537
  464    H    LYS  65           H        LYS  65   3.399   6.742   1.759
  465    HA   LYS  65           HA       LYS  65   3.039   8.405   4.232
  466   1HB   LYS  65          1HB       LYS  65   1.581   8.001   1.564
  467   2HB   LYS  65          2HB       LYS  65   1.008   9.170   2.737
  468   1HG   LYS  65          1HG       LYS  65   3.895   9.600   2.117
  469   2HG   LYS  65          2HG       LYS  65   2.945   9.475   0.625
  470   1HD   LYS  65          1HD       LYS  65   1.620  11.325   1.064
  471   2HD   LYS  65          2HD       LYS  65   1.671  11.151   2.821
  472   1HE   LYS  65          1HE       LYS  65   3.644  12.506   2.973
  473   2HE   LYS  65          2HE       LYS  65   4.252  11.962   1.399
  474   1HZ   LYS  65          1HZ       LYS  65   1.973  13.211   0.577
  475   2HZ   LYS  65          2HZ       LYS  65   2.200  14.106   1.893
  476   3HZ   LYS  65          3HZ       LYS  65   3.355  14.064   0.716
  477    H    MET  66           H        MET  66   0.975   5.844   2.691
  478    HA   MET  66           HA       MET  66  -0.723   5.205   4.856
  479   1HB   MET  66          1HB       MET  66  -1.054   4.124   2.737
  480   2HB   MET  66          2HB       MET  66   0.566   3.461   2.704
  481   1HG   MET  66          1HG       MET  66  -1.214   2.472   4.964
  482   2HG   MET  66          2HG       MET  66  -1.556   1.890   3.323
  483   1HE   MET  66          1HE       MET  66  -0.208   0.294   1.972
  484   2HE   MET  66          2HE       MET  66   0.670  -0.948   2.913
  485   3HE   MET  66          3HE       MET  66  -1.002  -0.499   3.368
  486    H    MET  67           H        MET  67   2.714   4.352   4.724
  487    HA   MET  67           HA       MET  67   2.655   2.897   7.347
  488   1HB   MET  67          1HB       MET  67   4.827   3.781   5.391
  489   2HB   MET  67          2HB       MET  67   5.298   3.458   7.048
  490   1HG   MET  67          1HG       MET  67   3.784   1.162   6.525
  491   2HG   MET  67          2HG       MET  67   4.499   1.485   4.934
  492   1HE   MET  67          1HE       MET  67   4.996  -1.047   6.403
  493   2HE   MET  67          2HE       MET  67   6.536  -1.231   7.304
  494   3HE   MET  67          3HE       MET  67   5.109  -0.502   8.104
  495    H    GLU  68           H        GLU  68   4.571   5.813   6.515
  496    HA   GLU  68           HA       GLU  68   4.985   6.549   9.342
  497   1HB   GLU  68          1HB       GLU  68   6.771   7.229   8.161
  498   2HB   GLU  68          2HB       GLU  68   5.886   7.557   6.702
  499   1HG   GLU  68          1HG       GLU  68   5.049   9.782   7.905
  500   2HG   GLU  68          2HG       GLU  68   6.286   9.460   9.105
  501    H    GLY  69           H        GLY  69   2.721   7.776   6.924
  502   1HA   GLY  69          1HA       GLY  69   0.601   8.982   7.211
  503   2HA   GLY  69          2HA       GLY  69   0.525   7.916   8.620
  504    H    VAL  70           H        VAL  70   1.478  11.203   7.615
  505    HA   VAL  70           HA       VAL  70   2.072  11.999  10.518
  506    HB   VAL  70           HB       VAL  70   3.777  12.476   8.632
  507   1HG1  VAL  70          1HG1      VAL  70   1.782  14.761   7.975
  508   2HG1  VAL  70          2HG1      VAL  70   3.464  14.674   7.391
  509   3HG1  VAL  70          3HG1      VAL  70   2.293  13.460   6.872
  510   1HG2  VAL  70          1HG2      VAL  70   3.942  13.564  10.909
  511   2HG2  VAL  70          2HG2      VAL  70   4.487  14.658   9.646
  512   3HG2  VAL  70          3HG2      VAL  70   2.873  14.883  10.385
  513    H    GLN  71           H        GLN  71   1.230  14.209  11.090
  514    HA   GLN  71           HA       GLN  71  -0.931  15.341   9.342
  515   1HB   GLN  71          1HB       GLN  71  -2.582  14.447  10.610
  516   2HB   GLN  71          2HB       GLN  71  -1.537  14.155  11.998
  517   1HG   GLN  71          1HG       GLN  71  -1.796  16.488  12.778
  518   2HG   GLN  71          2HG       GLN  71  -2.557  17.006  11.284
  519   1HE2  GLN  71          1HE2      GLN  71  -5.155  16.502  13.934
  520   2HE2  GLN  71          2HE2      GLN  71  -3.552  17.418  13.837
  521   1HN   NH2  72          1HN       NH2  72  -0.890  17.616   9.206
  522   2HN   NH2  72          2HN       NH2  72   0.143  18.656  10.223
   
  No H/Q in entry =         522
  Start of MODEL   38
    1   1H    ACE   1          1HH3      ACE   1  22.645   9.353   0.666
    2   2H    ACE   1          2HH3      ACE   1  23.754   8.514   1.808
    3   3H    ACE   1          3HH3      ACE   1  23.872   8.225   0.049
    4    H    LYS   2           H        LYS   2  21.472   7.902   2.712
    5    HA   LYS   2           HA       LYS   2  20.451   5.335   1.663
    6   1HB   LYS   2          1HB       LYS   2  18.710   5.532   3.470
    7   2HB   LYS   2          2HB       LYS   2  20.360   5.557   4.052
    8   1HG   LYS   2          1HG       LYS   2  20.120   7.803   4.877
    9   2HG   LYS   2          2HG       LYS   2  19.131   8.296   3.527
   10   1HD   LYS   2          1HD       LYS   2  17.941   8.262   5.807
   11   2HD   LYS   2          2HD       LYS   2  17.085   7.402   4.525
   12   1HE   LYS   2          1HE       LYS   2  17.640   5.239   5.342
   13   2HE   LYS   2          2HE       LYS   2  19.049   5.783   6.271
   14   1HZ   LYS   2          1HZ       LYS   2  17.411   6.992   7.839
   15   2HZ   LYS   2          2HZ       LYS   2  16.131   6.301   7.035
   16   3HZ   LYS   2          3HZ       LYS   2  17.238   5.436   7.837
   17    H    SER   3           H        SER   3  19.384   5.251  -0.163
   18    HA   SER   3           HA       SER   3  17.765   7.648  -1.121
   19   1HB   SER   3          1HB       SER   3  19.946   6.981  -2.189
   20   2HB   SER   3          2HB       SER   3  19.250   5.470  -2.723
   21    HG   SER   3           HG       SER   3  17.860   6.523  -4.066
   22    H    GLU   4           H        GLU   4  17.541   4.061  -1.717
   23    HA   GLU   4           HA       GLU   4  14.641   4.063  -1.902
   24   1HB   GLU   4          1HB       GLU   4  14.210   3.885  -4.317
   25   2HB   GLU   4          2HB       GLU   4  14.611   5.459  -3.673
   26   1HG   GLU   4          1HG       GLU   4  16.735   5.543  -4.893
   27   2HG   GLU   4          2HG       GLU   4  16.737   3.810  -5.200
   28    H    GLU   5           H        GLU   5  17.637   2.540  -2.851
   29    HA   GLU   5           HA       GLU   5  16.745   0.145  -3.980
   30   1HB   GLU   5          1HB       GLU   5  19.005   0.623  -4.182
   31   2HB   GLU   5          2HB       GLU   5  19.274   0.816  -2.477
   32   1HG   GLU   5          1HG       GLU   5  18.709  -1.902  -2.487
   33   2HG   GLU   5          2HG       GLU   5  19.282  -1.744  -4.137
   34    H    GLU   6           H        GLU   6  16.816   0.720  -0.521
   35    HA   GLU   6           HA       GLU   6  16.304  -2.106   0.199
   36   1HB   GLU   6          1HB       GLU   6  17.695  -1.086   1.701
   37   2HB   GLU   6          2HB       GLU   6  16.847   0.431   1.707
   38   1HG   GLU   6          1HG       GLU   6  15.143  -0.409   3.296
   39   2HG   GLU   6          2HG       GLU   6  15.654  -2.074   3.089
   40    H    LEU   7           H        LEU   7  14.272   0.772   0.832
   41    HA   LEU   7           HA       LEU   7  11.625  -0.559   1.050
   42   1HB   LEU   7          1HB       LEU   7  12.430   2.203  -0.010
   43   2HB   LEU   7          2HB       LEU   7  10.768   1.682   0.113
   44    HG   LEU   7           HG       LEU   7  11.743   1.213   2.731
   45   1HD1  LEU   7          1HD1      LEU   7  13.849   2.430   2.210
   46   2HD1  LEU   7          2HD1      LEU   7  12.938   3.864   1.671
   47   3HD1  LEU   7          3HD1      LEU   7  12.884   3.346   3.376
   48   1HD2  LEU   7          1HD2      LEU   7  10.245   3.702   1.621
   49   2HD2  LEU   7          2HD2      LEU   7   9.506   2.206   2.255
   50   3HD2  LEU   7          3HD2      LEU   7  10.389   3.276   3.347
   51    H    ALA   8           H        ALA   8  13.765  -0.050  -1.706
   52    HA   ALA   8           HA       ALA   8  11.926  -0.977  -3.766
   53   1HB   ALA   8          1HB       ALA   8  15.012  -1.120  -3.577
   54   2HB   ALA   8          2HB       ALA   8  14.066  -1.359  -5.060
   55   3HB   ALA   8          3HB       ALA   8  14.040   0.212  -4.248
   56    H    ASN   9           H        ASN   9  14.537  -3.037  -2.314
   57    HA   ASN   9           HA       ASN   9  13.464  -5.601  -2.904
   58   1HB   ASN   9          1HB       ASN   9  15.083  -4.627  -0.460
   59   2HB   ASN   9          2HB       ASN   9  14.649  -6.304  -0.635
   60   1HD2  ASN   9          1HD2      ASN   9  18.019  -5.513  -2.217
   61   2HD2  ASN   9          2HD2      ASN   9  17.272  -5.032  -0.628
   62    H    ALA  10           H        ALA  10  12.527  -3.610  -0.108
   63    HA   ALA  10           HA       ALA  10  10.649  -5.527   1.158
   64   1HB   ALA  10          1HB       ALA  10  11.778  -3.636   2.345
   65   2HB   ALA  10          2HB       ALA  10  10.852  -2.445   1.394
   66   3HB   ALA  10          3HB       ALA  10  10.015  -3.533   2.523
   67    H    PHE  11           H        PHE  11  10.068  -2.801  -1.101
   68    HA   PHE  11           HA       PHE  11   7.196  -3.177  -1.422
   69   1HB   PHE  11          1HB       PHE  11   8.450  -1.108  -2.018
   70   2HB   PHE  11          2HB       PHE  11   9.260  -1.926  -3.312
   71    HD1  PHE  11           HD1      PHE  11   5.621  -2.527  -2.767
   72    HD2  PHE  11           HD2      PHE  11   8.516  -0.285  -5.027
   73    HE1  PHE  11           HE1      PHE  11   3.876  -1.875  -4.374
   74    HE2  PHE  11           HE2      PHE  11   6.747   0.383  -6.605
   75    HZ   PHE  11           HZ       PHE  11   4.433  -0.440  -6.297
   76    H    ARG  12           H        ARG  12   9.830  -4.501  -3.498
   77    HA   ARG  12           HA       ARG  12   8.226  -6.417  -4.963
   78   1HB   ARG  12          1HB       ARG  12  11.130  -6.574  -3.981
   79   2HB   ARG  12          2HB       ARG  12  10.413  -7.840  -4.972
   80   1HG   ARG  12          1HG       ARG  12  11.213  -5.001  -5.710
   81   2HG   ARG  12          2HG       ARG  12  11.425  -6.491  -6.639
   82   1HD   ARG  12          1HD       ARG  12   9.271  -6.396  -7.606
   83   2HD   ARG  12          2HD       ARG  12   8.557  -5.539  -6.211
   84    HE   ARG  12           HE       ARG  12   9.630  -3.406  -6.990
   85   1HH1  ARG  12          2HH1      ARG  12  10.033  -6.013  -9.238
   86   2HH1  ARG  12          1HH1      ARG  12  10.493  -4.878 -10.597
   87   1HH2  ARG  12          1HH2      ARG  12  10.145  -2.156  -8.519
   88   2HH2  ARG  12          2HH2      ARG  12  10.541  -2.780 -10.187
   89    H    ILE  13           H        ILE  13   9.540  -6.700  -1.664
   90    HA   ILE  13           HA       ILE  13   9.066  -9.639  -1.495
   91    HB   ILE  13           HB       ILE  13  10.144  -7.596   0.506
   92   1HG1  ILE  13          1HG1      ILE  13  11.558  -8.724  -1.545
   93   2HG1  ILE  13          2HG1      ILE  13  12.278  -8.270  -0.024
   94   1HG2  ILE  13          1HG2      ILE  13   8.941  -9.345   1.875
   95   2HG2  ILE  13          2HG2      ILE  13   9.814 -10.644   1.029
   96   3HG2  ILE  13          3HG2      ILE  13  10.673  -9.513   2.093
   97   1HD1  ILE  13          1HD1      ILE  13  12.099 -10.613   0.876
   98   2HD1  ILE  13          2HD1      ILE  13  11.422 -11.153  -0.680
   99   3HD1  ILE  13          3HD1      ILE  13  13.075 -10.513  -0.607
  100    H    PHE  14           H        PHE  14   7.395  -6.774  -0.373
  101    HA   PHE  14           HA       PHE  14   5.248  -7.993   1.310
  102   1HB   PHE  14          1HB       PHE  14   5.451  -5.440  -0.400
  103   2HB   PHE  14          2HB       PHE  14   3.933  -5.919   0.283
  104    HD1  PHE  14           HD1      PHE  14   5.977  -7.087   2.782
  105    HD2  PHE  14           HD2      PHE  14   4.818  -3.324   1.066
  106    HE1  PHE  14           HE1      PHE  14   6.522  -5.949   4.898
  107    HE2  PHE  14           HE2      PHE  14   5.386  -2.189   3.176
  108    HZ   PHE  14           HZ       PHE  14   6.259  -3.489   5.088
  109    H    ASP  15           H        ASP  15   5.687  -7.454  -2.181
  110    HA   ASP  15           HA       ASP  15   2.973  -8.260  -2.928
  111   1HB   ASP  15          1HB       ASP  15   4.366  -6.566  -4.132
  112   2HB   ASP  15          2HB       ASP  15   5.485  -7.812  -4.665
  113    H    LYS  16           H        LYS  16   2.095 -10.035  -3.762
  114    HA   LYS  16           HA       LYS  16   3.446 -12.717  -3.663
  115   1HB   LYS  16          1HB       LYS  16   1.401 -13.700  -4.021
  116   2HB   LYS  16          2HB       LYS  16   0.858 -12.204  -3.313
  117   1HG   LYS  16          1HG       LYS  16   1.058 -12.347  -6.371
  118   2HG   LYS  16          2HG       LYS  16  -0.163 -13.351  -5.599
  119   1HD   LYS  16          1HD       LYS  16  -0.430 -10.755  -4.364
  120   2HD   LYS  16          2HD       LYS  16  -0.145 -10.449  -6.076
  121   1HE   LYS  16          1HE       LYS  16  -2.296 -10.813  -6.580
  122   2HE   LYS  16          2HE       LYS  16  -2.139 -12.517  -6.107
  123   1HZ   LYS  16          1HZ       LYS  16  -2.377 -10.533  -3.844
  124   2HZ   LYS  16          2HZ       LYS  16  -3.750 -10.862  -4.703
  125   3HZ   LYS  16          3HZ       LYS  16  -2.950 -12.069  -3.959
  126    H    ASN  17           H        ASN  17   2.005 -10.740  -6.290
  127    HA   ASN  17           HA       ASN  17   3.028 -12.678  -8.281
  128   1HB   ASN  17          1HB       ASN  17   0.709 -11.946  -8.358
  129   2HB   ASN  17          2HB       ASN  17   1.147 -10.266  -8.519
  130   1HD2  ASN  17          1HD2      ASN  17   0.165 -10.993 -11.866
  131   2HD2  ASN  17          2HD2      ASN  17  -0.595 -10.771 -10.256
  132    H    ALA  18           H        ALA  18   3.697  -9.254  -7.676
  133    HA   ALA  18           HA       ALA  18   5.614  -7.909  -8.231
  134   1HB   ALA  18          1HB       ALA  18   6.759 -10.074  -7.626
  135   2HB   ALA  18          2HB       ALA  18   6.637 -10.606  -9.318
  136   3HB   ALA  18          3HB       ALA  18   7.641  -9.204  -8.911
  137    H    ASP  19           H        ASP  19   3.427  -8.124 -10.236
  138    HA   ASP  19           HA       ASP  19   4.781  -7.104 -12.744
  139   1HB   ASP  19          1HB       ASP  19   2.438  -8.183 -12.678
  140   2HB   ASP  19          2HB       ASP  19   1.844  -6.740 -11.869
  141    H    GLY  20           H        GLY  20   4.937  -6.001  -9.712
  142   1HA   GLY  20          1HA       GLY  20   6.230  -3.980  -9.200
  143   2HA   GLY  20          2HA       GLY  20   5.650  -3.250 -10.702
  144    H    TYR  21           H        TYR  21   2.840  -4.171  -9.451
  145    HA   TYR  21           HA       TYR  21   2.380  -1.547  -7.916
  146   1HB   TYR  21          1HB       TYR  21   0.318  -3.200  -9.509
  147   2HB   TYR  21          2HB       TYR  21   0.015  -1.690  -8.703
  148    HD1  TYR  21           HD1      TYR  21   2.703  -0.261  -9.642
  149    HD2  TYR  21           HD2      TYR  21  -0.263  -2.566 -11.737
  150    HE1  TYR  21           HE1      TYR  21   3.158   1.002 -11.720
  151    HE2  TYR  21           HE2      TYR  21   0.224  -1.305 -13.797
  152    HH   TYR  21           HH       TYR  21   1.087   0.880 -14.424
  153    H    ILE  22           H        ILE  22   1.210  -1.513  -6.008
  154    HA   ILE  22           HA       ILE  22   0.099  -4.122  -4.866
  155    HB   ILE  22           HB       ILE  22   0.380  -1.433  -3.422
  156   1HG1  ILE  22          1HG1      ILE  22   2.373  -3.751  -3.630
  157   2HG1  ILE  22          2HG1      ILE  22   2.669  -2.038  -3.747
  158   1HG2  ILE  22          1HG2      ILE  22  -1.346  -2.962  -2.369
  159   2HG2  ILE  22          2HG2      ILE  22  -0.150  -4.268  -2.260
  160   3HG2  ILE  22          3HG2      ILE  22   0.035  -2.777  -1.301
  161   1HD1  ILE  22          1HD1      ILE  22   2.202  -1.732  -1.262
  162   2HD1  ILE  22          2HD1      ILE  22   2.101  -3.504  -1.108
  163   3HD1  ILE  22          3HD1      ILE  22   3.617  -2.746  -1.637
  164    H    ASP  23           H        ASP  23  -2.020  -4.452  -4.465
  165    HA   ASP  23           HA       ASP  23  -4.015  -2.464  -5.673
  166   1HB   ASP  23          1HB       ASP  23  -5.449  -4.384  -6.305
  167   2HB   ASP  23          2HB       ASP  23  -3.849  -4.546  -7.018
  168    H    ILE  24           H        ILE  24  -6.314  -2.919  -4.737
  169    HA   ILE  24           HA       ILE  24  -6.165  -1.991  -1.873
  170    HB   ILE  24           HB       ILE  24  -7.859  -1.241  -3.808
  171   1HG1  ILE  24          1HG1      ILE  24  -8.561  -1.402  -0.807
  172   2HG1  ILE  24          2HG1      ILE  24  -7.815  -0.071  -1.649
  173   1HG2  ILE  24          1HG2      ILE  24  -9.010  -3.485  -4.099
  174   2HG2  ILE  24          2HG2      ILE  24  -9.516  -3.460  -2.398
  175   3HG2  ILE  24          3HG2      ILE  24 -10.160  -2.273  -3.561
  176   1HD1  ILE  24          1HD1      ILE  24  -9.927   0.312  -3.019
  177   2HD1  ILE  24          2HD1      ILE  24 -10.750  -0.903  -2.011
  178   3HD1  ILE  24          3HD1      ILE  24 -10.118   0.580  -1.266
  179    H    GLU  25           H        GLU  25  -6.677  -4.996  -3.535
  180    HA   GLU  25           HA       GLU  25  -7.796  -6.543  -1.224
  181   1HB   GLU  25          1HB       GLU  25  -6.324  -7.911  -3.470
  182   2HB   GLU  25          2HB       GLU  25  -7.673  -8.471  -2.530
  183   1HG   GLU  25          1HG       GLU  25  -9.225  -6.876  -3.795
  184   2HG   GLU  25          2HG       GLU  25  -7.864  -6.288  -4.732
  185    H    GLU  26           H        GLU  26  -4.574  -5.774  -2.409
  186    HA   GLU  26           HA       GLU  26  -3.115  -7.619  -0.543
  187   1HB   GLU  26          1HB       GLU  26  -1.802  -5.311  -2.011
  188   2HB   GLU  26          2HB       GLU  26  -1.069  -6.772  -1.423
  189   1HG   GLU  26          1HG       GLU  26  -2.952  -7.768  -3.325
  190   2HG   GLU  26          2HG       GLU  26  -2.429  -6.259  -4.052
  191    H    LEU  27           H        LEU  27  -3.997  -4.201  -0.498
  192    HA   LEU  27           HA       LEU  27  -2.265  -3.135   1.598
  193   1HB   LEU  27          1HB       LEU  27  -3.682  -1.767   0.094
  194   2HB   LEU  27          2HB       LEU  27  -5.141  -2.380   0.829
  195    HG   LEU  27           HG       LEU  27  -3.995   0.022   1.499
  196   1HD1  LEU  27          1HD1      LEU  27  -6.293  -0.753   2.095
  197   2HD1  LEU  27          2HD1      LEU  27  -5.649  -1.752   3.428
  198   3HD1  LEU  27          3HD1      LEU  27  -5.504   0.029   3.463
  199   1HD2  LEU  27          1HD2      LEU  27  -3.017  -1.919   3.724
  200   2HD2  LEU  27          2HD2      LEU  27  -1.975  -0.982   2.612
  201   3HD2  LEU  27          3HD2      LEU  27  -2.989  -0.135   3.785
  202    H    GLY  28           H        GLY  28  -5.701  -3.859   2.218
  203   1HA   GLY  28          1HA       GLY  28  -5.992  -4.456   4.955
  204   2HA   GLY  28          2HA       GLY  28  -6.648  -5.532   3.715
  205    H    GLU  29           H        GLU  29  -4.544  -6.814   2.670
  206    HA   GLU  29           HA       GLU  29  -4.054  -8.836   4.760
  207   1HB   GLU  29          1HB       GLU  29  -3.105  -8.780   1.860
  208   2HB   GLU  29          2HB       GLU  29  -2.921 -10.144   2.919
  209   1HG   GLU  29          1HG       GLU  29  -5.512 -10.273   3.113
  210   2HG   GLU  29          2HG       GLU  29  -5.624  -8.983   1.930
  211    H    ILE  30           H        ILE  30  -2.000  -6.361   3.421
  212    HA   ILE  30           HA       ILE  30   0.582  -7.178   4.717
  213    HB   ILE  30           HB       ILE  30  -0.407  -4.457   3.718
  214   1HG1  ILE  30          1HG1      ILE  30   0.128  -5.768   1.765
  215   2HG1  ILE  30          2HG1      ILE  30   1.488  -4.707   2.013
  216   1HG2  ILE  30          1HG2      ILE  30   1.208  -4.068   5.614
  217   2HG2  ILE  30          2HG2      ILE  30   2.411  -5.126   4.833
  218   3HG2  ILE  30          3HG2      ILE  30   1.928  -3.578   4.084
  219   1HD1  ILE  30          1HD1      ILE  30   1.571  -7.694   2.810
  220   2HD1  ILE  30          2HD1      ILE  30   2.308  -6.934   1.383
  221   3HD1  ILE  30          3HD1      ILE  30   2.886  -6.506   3.006
  222    H    LEU  31           H        LEU  31  -2.005  -4.862   5.598
  223    HA   LEU  31           HA       LEU  31  -0.927  -4.047   8.247
  224   1HB   LEU  31          1HB       LEU  31  -3.909  -4.085   7.809
  225   2HB   LEU  31          2HB       LEU  31  -2.916  -2.880   8.591
  226    HG   LEU  31           HG       LEU  31  -2.270  -2.984   5.709
  227   1HD1  LEU  31          1HD1      LEU  31  -5.237  -2.526   6.457
  228   2HD1  LEU  31          2HD1      LEU  31  -4.492  -2.113   4.889
  229   3HD1  LEU  31          3HD1      LEU  31  -4.562  -3.801   5.405
  230   1HD2  LEU  31          1HD2      LEU  31  -3.448  -0.767   7.534
  231   2HD2  LEU  31          2HD2      LEU  31  -1.734  -0.981   7.081
  232   3HD2  LEU  31          3HD2      LEU  31  -2.915  -0.523   5.850
  233    H    ARG  32           H        ARG  32  -2.822  -6.797   7.193
  234    HA   ARG  32           HA       ARG  32  -3.572  -7.573  10.022
  235   1HB   ARG  32          1HB       ARG  32  -5.279  -7.289   8.315
  236   2HB   ARG  32          2HB       ARG  32  -4.467  -8.370   7.184
  237   1HG   ARG  32          1HG       ARG  32  -5.805 -10.055   8.007
  238   2HG   ARG  32          2HG       ARG  32  -4.889  -9.964   9.522
  239   1HD   ARG  32          1HD       ARG  32  -7.425  -9.700   9.842
  240   2HD   ARG  32          2HD       ARG  32  -6.470  -8.363  10.522
  241    HE   ARG  32           HE       ARG  32  -7.437  -6.878   8.877
  242   1HH1  ARG  32          2HH1      ARG  32  -7.892 -10.130   7.743
  243   2HH1  ARG  32          1HH1      ARG  32  -8.926  -9.577   6.343
  244   1HH2  ARG  32          1HH2      ARG  32  -8.587  -6.291   7.275
  245   2HH2  ARG  32          2HH2      ARG  32  -9.283  -7.504   6.105
  246    H    ALA  33           H        ALA  33  -1.783  -9.021   7.278
  247    HA   ALA  33           HA       ALA  33  -0.684 -11.181   9.119
  248   1HB   ALA  33          1HB       ALA  33  -1.855 -11.863   7.031
  249   2HB   ALA  33          2HB       ALA  33  -0.705 -10.924   6.039
  250   3HB   ALA  33          3HB       ALA  33  -0.149 -12.337   6.963
  251    H    THR  34           H        THR  34   1.439 -11.324   9.739
  252    HA   THR  34           HA       THR  34   3.606 -10.698   7.726
  253    HB   THR  34           HB       THR  34   3.348  -8.536   8.921
  254    HG1  THR  34           HG1      THR  34   5.634  -9.541  10.144
  255   1HG2  THR  34          2HG2      THR  34   2.497  -9.524  11.148
  256   2HG2  THR  34          3HG2      THR  34   4.160 -10.064  11.495
  257   3HG2  THR  34          1HG2      THR  34   3.804  -8.333  11.365
  258    H    GLY  35           H        GLY  35   3.290 -13.181   8.024
  259   1HA   GLY  35          1HA       GLY  35   4.931 -14.900   9.224
  260   2HA   GLY  35          2HA       GLY  35   4.229 -14.294  10.730
  261   1HN   NH2  36          1HN       NH2  36   4.106 -16.856   8.527
  262   2HN   NH2  36          2HN       NH2  36   2.475 -17.478   8.895
  263   1H    ACE  37          1HH3      ACE  37 -18.407  -4.439  13.066
  264   2H    ACE  37          2HH3      ACE  37 -18.528  -4.137  11.299
  265   3H    ACE  37          3HH3      ACE  37 -19.277  -5.588  12.015
  266    H    VAL  38           H        VAL  38 -15.994  -4.096  12.182
  267    HA   VAL  38           HA       VAL  38 -13.879  -4.877  11.274
  268    HB   VAL  38           HB       VAL  38 -14.950  -7.420  12.618
  269   1HG1  VAL  38          1HG1      VAL  38 -12.038  -6.688  11.822
  270   2HG1  VAL  38          2HG1      VAL  38 -12.471  -8.040  12.893
  271   3HG1  VAL  38          3HG1      VAL  38 -12.993  -8.049  11.206
  272   1HG2  VAL  38          1HG2      VAL  38 -14.789  -5.471  14.228
  273   2HG2  VAL  38          2HG2      VAL  38 -13.554  -6.694  14.596
  274   3HG2  VAL  38          3HG2      VAL  38 -13.101  -5.200  13.739
  275    H    THR  39           H        THR  39 -14.223  -4.665   9.011
  276    HA   THR  39           HA       THR  39 -15.144  -7.040   7.423
  277    HB   THR  39           HB       THR  39 -17.011  -5.944   6.243
  278    HG1  THR  39           HG1      THR  39 -16.165  -3.734   7.068
  279   1HG2  THR  39          2HG2      THR  39 -17.368  -5.886   9.322
  280   2HG2  THR  39          3HG2      THR  39 -18.691  -5.952   8.133
  281   3HG2  THR  39          1HG2      THR  39 -17.557  -7.312   8.277
  282    H    GLU  40           H        GLU  40 -15.221  -6.291   4.985
  283    HA   GLU  40           HA       GLU  40 -12.651  -4.960   4.318
  284   1HB   GLU  40          1HB       GLU  40 -12.685  -6.196   2.499
  285   2HB   GLU  40          2HB       GLU  40 -14.082  -6.986   3.164
  286   1HG   GLU  40          1HG       GLU  40 -15.494  -5.139   1.795
  287   2HG   GLU  40          2HG       GLU  40 -13.999  -4.878   0.916
  288    H    GLU  41           H        GLU  41 -16.019  -3.936   4.010
  289    HA   GLU  41           HA       GLU  41 -15.591  -1.543   2.483
  290   1HB   GLU  41          1HB       GLU  41 -17.803  -2.665   4.103
  291   2HB   GLU  41          2HB       GLU  41 -17.855  -0.931   4.009
  292   1HG   GLU  41          1HG       GLU  41 -18.612  -0.953   1.808
  293   2HG   GLU  41          2HG       GLU  41 -17.443  -2.156   1.294
  294    H    ASP  42           H        ASP  42 -15.180  -1.939   5.934
  295    HA   ASP  42           HA       ASP  42 -14.538   0.895   6.630
  296   1HB   ASP  42          1HB       ASP  42 -13.967  -1.830   7.927
  297   2HB   ASP  42          2HB       ASP  42 -13.245  -0.362   8.571
  298    H    ILE  43           H        ILE  43 -12.682  -1.811   5.301
  299    HA   ILE  43           HA       ILE  43  -9.995  -0.454   5.330
  300    HB   ILE  43           HB       ILE  43 -11.046  -2.985   4.004
  301   1HG1  ILE  43          1HG1      ILE  43  -9.179  -4.123   5.236
  302   2HG1  ILE  43          2HG1      ILE  43  -8.597  -2.597   5.844
  303   1HG2  ILE  43          1HG2      ILE  43  -9.573  -1.938   2.240
  304   2HG2  ILE  43          2HG2      ILE  43  -8.261  -1.733   3.418
  305   3HG2  ILE  43          3HG2      ILE  43  -8.781  -3.359   2.907
  306   1HD1  ILE  43          1HD1      ILE  43 -10.723  -2.222   7.165
  307   2HD1  ILE  43          2HD1      ILE  43 -11.284  -3.846   6.685
  308   3HD1  ILE  43          3HD1      ILE  43  -9.807  -3.664   7.657
  309    H    GLU  44           H        GLU  44 -12.766  -0.608   3.167
  310    HA   GLU  44           HA       GLU  44 -11.440   0.622   0.779
  311   1HB   GLU  44          1HB       GLU  44 -14.113  -0.457   1.421
  312   2HB   GLU  44          2HB       GLU  44 -14.211   0.984   0.456
  313   1HG   GLU  44          1HG       GLU  44 -12.216  -1.011  -0.627
  314   2HG   GLU  44          2HG       GLU  44 -13.852  -1.637  -0.540
  315    H    ASP  45           H        ASP  45 -13.133   1.832   3.591
  316    HA   ASP  45           HA       ASP  45 -13.379   4.679   2.664
  317   1HB   ASP  45          1HB       ASP  45 -13.918   3.176   5.272
  318   2HB   ASP  45          2HB       ASP  45 -13.818   4.931   5.309
  319    H    LEU  46           H        LEU  46 -11.177   2.952   4.875
  320    HA   LEU  46           HA       LEU  46  -9.335   5.203   5.489
  321   1HB   LEU  46          1HB       LEU  46  -9.498   3.070   6.774
  322   2HB   LEU  46          2HB       LEU  46  -8.827   2.168   5.435
  323    HG   LEU  46           HG       LEU  46  -6.627   3.413   5.665
  324   1HD1  LEU  46          1HD1      LEU  46  -8.224   4.967   7.704
  325   2HD1  LEU  46          2HD1      LEU  46  -6.513   4.634   8.105
  326   3HD1  LEU  46          3HD1      LEU  46  -6.945   5.496   6.601
  327   1HD2  LEU  46          1HD2      LEU  46  -7.278   1.227   7.030
  328   2HD2  LEU  46          2HD2      LEU  46  -5.808   2.121   7.517
  329   3HD2  LEU  46          3HD2      LEU  46  -7.334   2.296   8.434
  330    H    MET  47           H        MET  47  -8.981   2.672   2.990
  331    HA   MET  47           HA       MET  47  -6.636   3.763   1.716
  332   1HB   MET  47          1HB       MET  47  -7.700   1.439   1.390
  333   2HB   MET  47          2HB       MET  47  -8.825   2.177   0.263
  334   1HG   MET  47          1HG       MET  47  -5.853   2.635  -0.273
  335   2HG   MET  47          2HG       MET  47  -6.562   1.052  -0.639
  336   1HE   MET  47          1HE       MET  47  -5.259   2.486  -2.844
  337   2HE   MET  47          2HE       MET  47  -6.283   1.056  -3.162
  338   3HE   MET  47          3HE       MET  47  -6.472   2.520  -4.171
  339    H    LYS  48           H        LYS  48 -10.042   4.527   1.097
  340    HA   LYS  48           HA       LYS  48  -9.634   6.404  -1.210
  341   1HB   LYS  48          1HB       LYS  48 -11.860   6.410  -1.312
  342   2HB   LYS  48          2HB       LYS  48 -11.821   5.061  -0.218
  343   1HG   LYS  48          1HG       LYS  48 -12.037   6.953   1.717
  344   2HG   LYS  48          2HG       LYS  48 -12.400   8.036   0.411
  345   1HD   LYS  48          1HD       LYS  48 -14.050   5.527   0.344
  346   2HD   LYS  48          2HD       LYS  48 -14.363   6.495   1.746
  347   1HE   LYS  48          1HE       LYS  48 -14.494   8.474  -0.276
  348   2HE   LYS  48          2HE       LYS  48 -14.950   7.049  -1.192
  349   1HZ   LYS  48          1HZ       LYS  48 -16.365   7.143   1.404
  350   2HZ   LYS  48          2HZ       LYS  48 -16.785   8.370   0.375
  351   3HZ   LYS  48          3HZ       LYS  48 -16.926   6.797  -0.037
  352    H    ASP  49           H        ASP  49  -9.436   6.596   2.263
  353    HA   ASP  49           HA       ASP  49  -9.449   9.593   2.543
  354   1HB   ASP  49          1HB       ASP  49  -9.928   7.941   4.450
  355   2HB   ASP  49          2HB       ASP  49  -8.217   7.540   4.488
  356    H    SER  50           H        SER  50  -6.633   7.488   3.176
  357    HA   SER  50           HA       SER  50  -4.613   9.411   2.728
  358   1HB   SER  50          1HB       SER  50  -4.573   6.355   2.480
  359   2HB   SER  50          2HB       SER  50  -3.110   7.265   2.115
  360    HG   SER  50           HG       SER  50  -3.319   6.584   4.318
  361    H    ASP  51           H        ASP  51  -6.104   7.391   0.232
  362    HA   ASP  51           HA       ASP  51  -4.219   8.003  -1.911
  363   1HB   ASP  51          1HB       ASP  51  -5.693   5.943  -1.716
  364   2HB   ASP  51          2HB       ASP  51  -7.098   6.910  -2.144
  365    H    LYS  52           H        LYS  52  -4.142   9.424  -3.528
  366    HA   LYS  52           HA       LYS  52  -5.966  11.772  -3.954
  367   1HB   LYS  52          1HB       LYS  52  -3.457  10.852  -4.894
  368   2HB   LYS  52          2HB       LYS  52  -4.440  10.756  -6.323
  369   1HG   LYS  52          1HG       LYS  52  -4.177  13.057  -6.628
  370   2HG   LYS  52          2HG       LYS  52  -5.022  13.349  -5.141
  371   1HD   LYS  52          1HD       LYS  52  -3.116  13.569  -3.800
  372   2HD   LYS  52          2HD       LYS  52  -2.073  12.608  -4.795
  373   1HE   LYS  52          1HE       LYS  52  -1.192  14.670  -5.490
  374   2HE   LYS  52          2HE       LYS  52  -2.600  14.760  -6.546
  375   1HZ   LYS  52          1HZ       LYS  52  -3.779  15.761  -4.309
  376   2HZ   LYS  52          2HZ       LYS  52  -2.229  16.225  -3.957
  377   3HZ   LYS  52          3HZ       LYS  52  -2.993  16.692  -5.321
  378    H    ASN  53           H        ASN  53  -6.602  11.488  -6.654
  379    HA   ASN  53           HA       ASN  53  -9.193  10.193  -6.388
  380   1HB   ASN  53          1HB       ASN  53  -9.423  10.934  -8.906
  381   2HB   ASN  53          2HB       ASN  53  -9.181  12.169  -7.702
  382   1HD2  ASN  53          1HD2      ASN  53  -6.468  11.789 -10.649
  383   2HD2  ASN  53          2HD2      ASN  53  -7.905  10.679 -10.520
  384    H    ASN  54           H        ASN  54  -6.696   9.409  -8.827
  385    HA   ASN  54           HA       ASN  54  -5.880   7.299  -9.658
  386   1HB   ASN  54          1HB       ASN  54  -6.742   6.769  -6.739
  387   2HB   ASN  54          2HB       ASN  54  -5.954   5.531  -7.677
  388   1HD2  ASN  54          1HD2      ASN  54  -2.875   6.848  -6.578
  389   2HD2  ASN  54          2HD2      ASN  54  -3.993   5.417  -6.717
  390    H    ASP  55           H        ASP  55  -7.052   6.631 -11.342
  391    HA   ASP  55           HA       ASP  55  -9.470   5.263 -11.765
  392   1HB   ASP  55          1HB       ASP  55  -7.977   3.726 -13.358
  393   2HB   ASP  55          2HB       ASP  55  -8.145   5.445 -13.682
  394    H    GLY  56           H        GLY  56  -6.795   3.998  -9.865
  395   1HA   GLY  56          1HA       GLY  56  -8.473   2.470  -8.125
  396   2HA   GLY  56          2HA       GLY  56  -7.894   1.267  -9.285
  397    H    ARG  57           H        ARG  57  -5.345   1.514  -9.629
  398    HA   ARG  57           HA       ARG  57  -4.615   0.252  -7.007
  399   1HB   ARG  57          1HB       ARG  57  -3.545   0.005  -9.873
  400   2HB   ARG  57          2HB       ARG  57  -2.776  -0.827  -8.522
  401   1HG   ARG  57          1HG       ARG  57  -4.809  -2.149  -8.063
  402   2HG   ARG  57          2HG       ARG  57  -5.802  -1.129  -9.101
  403   1HD   ARG  57          1HD       ARG  57  -3.428  -2.802 -10.193
  404   2HD   ARG  57          2HD       ARG  57  -5.067  -3.438 -10.056
  405    HE   ARG  57           HE       ARG  57  -4.253  -1.303 -12.024
  406   1HH1  ARG  57          2HH1      ARG  57  -6.995  -2.633 -10.374
  407   2HH1  ARG  57          1HH1      ARG  57  -8.147  -1.954 -11.640
  408   1HH2  ARG  57          1HH2      ARG  57  -5.537  -0.482 -13.300
  409   2HH2  ARG  57          2HH2      ARG  57  -7.350  -0.716 -13.183
  410    H    ILE  58           H        ILE  58  -2.384   0.099  -6.271
  411    HA   ILE  58           HA       ILE  58  -1.154   2.867  -6.041
  412    HB   ILE  58           HB       ILE  58  -1.290   0.489  -4.139
  413   1HG1  ILE  58          1HG1      ILE  58  -2.244   3.418  -3.958
  414   2HG1  ILE  58          2HG1      ILE  58  -3.236   1.990  -4.022
  415   1HG2  ILE  58          1HG2      ILE  58   1.084   1.350  -3.952
  416   2HG2  ILE  58          2HG2      ILE  58   0.482   2.998  -3.680
  417   3HG2  ILE  58          3HG2      ILE  58   0.177   1.713  -2.488
  418   1HD1  ILE  58          1HD1      ILE  58  -2.407   1.215  -1.752
  419   2HD1  ILE  58          2HD1      ILE  58  -1.488   2.736  -1.599
  420   3HD1  ILE  58          3HD1      ILE  58  -3.261   2.778  -1.718
  421    H    ASP  59           H        ASP  59   0.854   3.326  -6.672
  422    HA   ASP  59           HA       ASP  59   2.924   1.092  -7.013
  423   1HB   ASP  59          1HB       ASP  59   3.769   2.295  -9.000
  424   2HB   ASP  59          2HB       ASP  59   2.048   1.977  -9.172
  425    H    PHE  60           H        PHE  60   5.234   2.519  -7.433
  426    HA   PHE  60           HA       PHE  60   6.044   2.131  -4.675
  427   1HB   PHE  60          1HB       PHE  60   7.421   1.908  -6.902
  428   2HB   PHE  60          2HB       PHE  60   7.760   3.600  -6.758
  429    HD1  PHE  60           HD1      PHE  60   7.622   2.069  -3.448
  430    HD2  PHE  60           HD2      PHE  60  10.182   2.754  -6.829
  431    HE1  PHE  60           HE1      PHE  60   9.604   1.586  -2.058
  432    HE2  PHE  60           HE2      PHE  60  12.146   2.264  -5.443
  433    HZ   PHE  60           HZ       PHE  60  11.874   1.722  -3.044
  434    H    ASP  61           H        ASP  61   5.577   5.185  -6.411
  435    HA   ASP  61           HA       ASP  61   6.253   7.201  -4.428
  436   1HB   ASP  61          1HB       ASP  61   3.677   7.363  -6.187
  437   2HB   ASP  61          2HB       ASP  61   4.927   8.537  -5.847
  438    H    GLU  62           H        GLU  62   2.966   6.093  -4.998
  439    HA   GLU  62           HA       GLU  62   1.590   6.744  -2.560
  440   1HB   GLU  62          1HB       GLU  62   1.132   4.094  -3.974
  441   2HB   GLU  62          2HB       GLU  62  -0.010   5.018  -3.042
  442   1HG   GLU  62          1HG       GLU  62   1.048   5.674  -5.874
  443   2HG   GLU  62          2HG       GLU  62  -0.599   5.273  -5.420
  444    H    PHE  63           H        PHE  63   3.823   3.990  -2.994
  445    HA   PHE  63           HA       PHE  63   3.243   2.562  -0.440
  446   1HB   PHE  63          1HB       PHE  63   4.444   1.601  -2.472
  447   2HB   PHE  63          2HB       PHE  63   5.808   2.615  -2.143
  448    HD1  PHE  63           HD1      PHE  63   3.765   0.034  -0.236
  449    HD2  PHE  63           HD2      PHE  63   7.638   1.804  -0.858
  450    HE1  PHE  63           HE1      PHE  63   4.773  -1.649   1.213
  451    HE2  PHE  63           HE2      PHE  63   8.635   0.095   0.606
  452    HZ   PHE  63           HZ       PHE  63   7.218  -1.674   1.593
  453    H    LEU  64           H        LEU  64   5.719   4.975  -1.334
  454    HA   LEU  64           HA       LEU  64   6.946   5.298   1.286
  455   1HB   LEU  64          1HB       LEU  64   6.734   7.253  -1.063
  456   2HB   LEU  64          2HB       LEU  64   7.675   7.614   0.364
  457    HG   LEU  64           HG       LEU  64   8.222   5.085  -1.291
  458   1HD1  LEU  64          1HD1      LEU  64   9.347   7.931  -1.761
  459   2HD1  LEU  64          2HD1      LEU  64  10.017   6.440  -2.475
  460   3HD1  LEU  64          3HD1      LEU  64   8.369   6.935  -2.873
  461   1HD2  LEU  64          1HD2      LEU  64   9.992   6.743   0.653
  462   2HD2  LEU  64          2HD2      LEU  64   9.371   5.088   0.916
  463   3HD2  LEU  64          3HD2      LEU  64  10.573   5.388  -0.346
  464    H    LYS  65           H        LYS  65   4.290   7.221  -0.122
  465    HA   LYS  65           HA       LYS  65   3.882   8.978   2.209
  466   1HB   LYS  65          1HB       LYS  65   1.840   8.273   0.044
  467   2HB   LYS  65          2HB       LYS  65   2.049   9.822   0.838
  468   1HG   LYS  65          1HG       LYS  65   4.265   8.667  -0.978
  469   2HG   LYS  65          2HG       LYS  65   2.810   9.386  -1.693
  470   1HD   LYS  65          1HD       LYS  65   4.346  10.872   0.493
  471   2HD   LYS  65          2HD       LYS  65   4.928  10.970  -1.172
  472   1HE   LYS  65          1HE       LYS  65   2.327  12.070   0.095
  473   2HE   LYS  65          2HE       LYS  65   3.599  12.956  -0.768
  474   1HZ   LYS  65          1HZ       LYS  65   2.056  10.820  -2.284
  475   2HZ   LYS  65          2HZ       LYS  65   1.421  12.312  -2.115
  476   3HZ   LYS  65          3HZ       LYS  65   2.819  12.149  -2.892
  477    H    MET  66           H        MET  66   2.011   6.077   1.146
  478    HA   MET  66           HA       MET  66   0.385   5.760   3.487
  479   1HB   MET  66          1HB       MET  66   0.206   4.551   1.229
  480   2HB   MET  66          2HB       MET  66   1.502   3.490   1.739
  481   1HG   MET  66          1HG       MET  66   0.053   2.798   3.788
  482   2HG   MET  66          2HG       MET  66  -1.302   3.632   3.004
  483   1HE   MET  66          1HE       MET  66   1.483   0.874   2.647
  484   2HE   MET  66          2HE       MET  66   1.141   0.205   1.024
  485   3HE   MET  66          3HE       MET  66   1.732   1.886   1.191
  486    H    MET  67           H        MET  67   3.744   4.626   3.094
  487    HA   MET  67           HA       MET  67   4.006   3.309   5.699
  488   1HB   MET  67          1HB       MET  67   5.667   3.384   3.609
  489   2HB   MET  67          2HB       MET  67   6.298   4.838   4.356
  490   1HG   MET  67          1HG       MET  67   7.764   3.202   5.219
  491   2HG   MET  67          2HG       MET  67   6.617   3.390   6.561
  492   1HE   MET  67          1HE       MET  67   8.371   1.399   6.595
  493   2HE   MET  67          2HE       MET  67   7.394  -0.031   7.050
  494   3HE   MET  67          3HE       MET  67   8.301  -0.025   5.507
  495    H    GLU  68           H        GLU  68   4.702   6.710   4.770
  496    HA   GLU  68           HA       GLU  68   5.124   7.600   7.540
  497   1HB   GLU  68          1HB       GLU  68   6.104   8.584   5.403
  498   2HB   GLU  68          2HB       GLU  68   4.591   9.388   5.120
  499   1HG   GLU  68          1HG       GLU  68   4.927  10.579   7.453
  500   2HG   GLU  68          2HG       GLU  68   6.553   9.922   7.457
  501    H    GLY  69           H        GLY  69   2.235   7.482   5.585
  502   1HA   GLY  69          1HA       GLY  69  -0.040   7.213   6.373
  503   2HA   GLY  69          2HA       GLY  69   0.650   7.164   7.999
  504    H    VAL  70           H        VAL  70  -0.983   9.146   5.658
  505    HA   VAL  70           HA       VAL  70  -1.120  11.520   7.612
  506    HB   VAL  70           HB       VAL  70  -0.497  11.537   4.655
  507   1HG1  VAL  70          1HG1      VAL  70  -2.061  13.837   6.033
  508   2HG1  VAL  70          2HG1      VAL  70  -1.259  13.954   4.446
  509   3HG1  VAL  70          3HG1      VAL  70  -2.625  12.857   4.658
  510   1HG2  VAL  70          1HG2      VAL  70   1.320  12.054   6.334
  511   2HG2  VAL  70          2HG2      VAL  70   1.007  13.438   5.297
  512   3HG2  VAL  70          3HG2      VAL  70   0.379  13.420   6.972
  513    H    GLN  71           H        GLN  71  -3.119  12.728   7.471
  514    HA   GLN  71           HA       GLN  71  -5.630  11.387   6.515
  515   1HB   GLN  71          1HB       GLN  71  -4.724   9.811   8.235
  516   2HB   GLN  71          2HB       GLN  71  -4.801  11.079   9.455
  517   1HG   GLN  71          1HG       GLN  71  -7.424  11.162   8.560
  518   2HG   GLN  71          2HG       GLN  71  -7.080   9.490   8.158
  519   1HE2  GLN  71          1HE2      GLN  71  -7.763  10.511  12.006
  520   2HE2  GLN  71          2HE2      GLN  71  -7.760  11.739  10.624
  521   1HN   NH2  72          1HN       NH2  72  -6.915  13.141   6.015
  522   2HN   NH2  72          2HN       NH2  72  -7.106  14.601   7.022
   
  No H/Q in entry =         522
  Start of MODEL   39
    1   1H    ACE   1          1HH3      ACE   1  23.365   9.232   0.550
    2   2H    ACE   1          2HH3      ACE   1  22.458  10.686   0.001
    3   3H    ACE   1          3HH3      ACE   1  23.223  10.648   1.615
    4    H    LYS   2           H        LYS   2  20.911   8.670  -0.261
    5    HA   LYS   2           HA       LYS   2  19.692   7.564   2.198
    6   1HB   LYS   2          1HB       LYS   2  18.294   9.793   0.788
    7   2HB   LYS   2          2HB       LYS   2  17.253   8.411   1.046
    8   1HG   LYS   2          1HG       LYS   2  17.520   8.622   3.531
    9   2HG   LYS   2          2HG       LYS   2  18.921   9.647   3.356
   10   1HD   LYS   2          1HD       LYS   2  17.563  11.560   2.607
   11   2HD   LYS   2          2HD       LYS   2  16.138  10.554   2.339
   12   1HE   LYS   2          1HE       LYS   2  15.550  11.369   4.428
   13   2HE   LYS   2          2HE       LYS   2  16.435   9.940   4.992
   14   1HZ   LYS   2          1HZ       LYS   2  18.105  12.411   4.540
   15   2HZ   LYS   2          2HZ       LYS   2  17.211  12.340   5.939
   16   3HZ   LYS   2          3HZ       LYS   2  18.331  11.240   5.553
   17    H    SER   3           H        SER   3  19.945   5.501   1.515
   18    HA   SER   3           HA       SER   3  19.814   4.760  -1.433
   19   1HB   SER   3          1HB       SER   3  20.685   2.516  -0.469
   20   2HB   SER   3          2HB       SER   3  21.770   3.885  -0.437
   21    HG   SER   3           HG       SER   3  20.051   3.381   1.778
   22    H    GLU   4           H        GLU   4  17.854   4.304  -2.245
   23    HA   GLU   4           HA       GLU   4  15.579   3.571  -0.349
   24   1HB   GLU   4          1HB       GLU   4  14.141   4.136  -2.497
   25   2HB   GLU   4          2HB       GLU   4  14.624   5.259  -1.249
   26   1HG   GLU   4          1HG       GLU   4  14.873   6.421  -3.387
   27   2HG   GLU   4          2HG       GLU   4  16.513   6.104  -2.834
   28    H    GLU   5           H        GLU   5  17.722   1.875  -2.174
   29    HA   GLU   5           HA       GLU   5  16.340  -0.344  -3.151
   30   1HB   GLU   5          1HB       GLU   5  18.899   0.122  -2.750
   31   2HB   GLU   5          2HB       GLU   5  18.700  -0.829  -1.309
   32   1HG   GLU   5          1HG       GLU   5  17.698  -2.705  -2.984
   33   2HG   GLU   5          2HG       GLU   5  18.487  -1.763  -4.236
   34    H    GLU   6           H        GLU   6  17.146  -0.199   0.336
   35    HA   GLU   6           HA       GLU   6  15.755  -2.542   1.146
   36   1HB   GLU   6          1HB       GLU   6  16.748  -0.115   2.601
   37   2HB   GLU   6          2HB       GLU   6  15.631  -1.117   3.478
   38   1HG   GLU   6          1HG       GLU   6  17.189  -2.876   3.751
   39   2HG   GLU   6          2HG       GLU   6  17.958  -2.616   2.195
   40    H    LEU   7           H        LEU   7  14.316   0.627   0.707
   41    HA   LEU   7           HA       LEU   7  11.555  -0.123   1.698
   42   1HB   LEU   7          1HB       LEU   7  12.550   2.287   0.081
   43   2HB   LEU   7          2HB       LEU   7  10.898   2.086   0.612
   44    HG   LEU   7           HG       LEU   7  13.186   3.183   2.075
   45   1HD1  LEU   7          1HD1      LEU   7  10.992   4.318   1.779
   46   2HD1  LEU   7          2HD1      LEU   7  10.162   3.053   2.721
   47   3HD1  LEU   7          3HD1      LEU   7  11.355   4.124   3.501
   48   1HD2  LEU   7          1HD2      LEU   7  11.622   0.947   3.565
   49   2HD2  LEU   7          2HD2      LEU   7  13.378   0.992   3.247
   50   3HD2  LEU   7          3HD2      LEU   7  12.658   2.170   4.347
   51    H    ALA   8           H        ALA   8  13.176   0.095  -1.496
   52    HA   ALA   8           HA       ALA   8  11.018  -1.061  -3.051
   53   1HB   ALA   8          1HB       ALA   8  14.083  -1.136  -3.474
   54   2HB   ALA   8          2HB       ALA   8  12.871  -1.514  -4.714
   55   3HB   ALA   8          3HB       ALA   8  12.955   0.118  -4.040
   56    H    ASN   9           H        ASN   9  13.939  -2.959  -2.020
   57    HA   ASN   9           HA       ASN   9  13.061  -5.597  -2.082
   58   1HB   ASN   9          1HB       ASN   9  14.528  -4.207   0.265
   59   2HB   ASN   9          2HB       ASN   9  14.352  -5.937   0.153
   60   1HD2  ASN   9          1HD2      ASN   9  16.571  -5.814  -2.896
   61   2HD2  ASN   9          2HD2      ASN   9  14.837  -6.301  -2.631
   62    H    ALA  10           H        ALA  10  12.061  -3.379   0.529
   63    HA   ALA  10           HA       ALA  10  10.234  -5.276   1.935
   64   1HB   ALA  10          1HB       ALA  10  11.389  -3.350   3.041
   65   2HB   ALA  10          2HB       ALA  10  10.454  -2.188   2.063
   66   3HB   ALA  10          3HB       ALA  10   9.630  -3.233   3.242
   67    H    PHE  11           H        PHE  11   9.674  -2.691  -0.467
   68    HA   PHE  11           HA       PHE  11   6.782  -2.842  -0.602
   69   1HB   PHE  11          1HB       PHE  11   8.150  -0.958  -1.465
   70   2HB   PHE  11          2HB       PHE  11   8.818  -1.954  -2.713
   71    HD1  PHE  11           HD1      PHE  11   5.685  -0.237  -1.643
   72    HD2  PHE  11           HD2      PHE  11   7.596  -2.402  -4.833
   73    HE1  PHE  11           HE1      PHE  11   3.959   0.537  -3.217
   74    HE2  PHE  11           HE2      PHE  11   5.836  -1.648  -6.382
   75    HZ   PHE  11           HZ       PHE  11   4.019  -0.173  -5.575
   76    H    ARG  12           H        ARG  12   9.048  -4.387  -2.971
   77    HA   ARG  12           HA       ARG  12   7.275  -6.298  -4.112
   78   1HB   ARG  12          1HB       ARG  12  10.215  -6.770  -3.339
   79   2HB   ARG  12          2HB       ARG  12   9.297  -7.794  -4.437
   80   1HG   ARG  12          1HG       ARG  12   9.234  -6.140  -6.165
   81   2HG   ARG  12          2HG       ARG  12   9.436  -4.785  -5.047
   82   1HD   ARG  12          1HD       ARG  12  11.563  -4.911  -6.130
   83   2HD   ARG  12          2HD       ARG  12  11.853  -5.734  -4.572
   84    HE   ARG  12           HE       ARG  12  11.610  -7.969  -5.751
   85   1HH1  ARG  12          2HH1      ARG  12  11.834  -5.249  -7.885
   86   2HH1  ARG  12          1HH1      ARG  12  12.312  -6.298  -9.305
   87   1HH2  ARG  12          1HH2      ARG  12  12.159  -9.122  -7.343
   88   2HH2  ARG  12          2HH2      ARG  12  12.485  -8.406  -8.988
   89    H    ILE  13           H        ILE  13   8.837  -6.604  -0.898
   90    HA   ILE  13           HA       ILE  13   8.384  -9.546  -0.620
   91    HB   ILE  13           HB       ILE  13   9.307  -7.369   1.309
   92   1HG1  ILE  13          1HG1      ILE  13  10.867  -8.710  -0.483
   93   2HG1  ILE  13          2HG1      ILE  13  11.457  -8.152   1.059
   94   1HG2  ILE  13          1HG2      ILE  13   7.926  -8.946   2.718
   95   2HG2  ILE  13          2HG2      ILE  13   8.829 -10.342   2.084
   96   3HG2  ILE  13          3HG2      ILE  13   9.625  -9.135   3.112
   97   1HD1  ILE  13          1HD1      ILE  13  11.107 -10.406   2.123
   98   2HD1  ILE  13          2HD1      ILE  13  10.559 -11.053   0.557
   99   3HD1  ILE  13          3HD1      ILE  13  12.221 -10.458   0.738
  100    H    PHE  14           H        PHE  14   6.617  -6.628   0.256
  101    HA   PHE  14           HA       PHE  14   4.463  -7.879   1.844
  102   1HB   PHE  14          1HB       PHE  14   4.732  -5.225   0.319
  103   2HB   PHE  14          2HB       PHE  14   3.187  -5.689   0.951
  104    HD1  PHE  14           HD1      PHE  14   6.284  -6.568   2.831
  105    HD2  PHE  14           HD2      PHE  14   3.028  -3.788   2.489
  106    HE1  PHE  14           HE1      PHE  14   6.796  -5.686   5.073
  107    HE2  PHE  14           HE2      PHE  14   3.558  -2.894   4.722
  108    HZ   PHE  14           HZ       PHE  14   5.437  -3.838   6.020
  109    H    ASP  15           H        ASP  15   4.481  -6.814  -1.577
  110    HA   ASP  15           HA       ASP  15   1.731  -7.590  -2.071
  111   1HB   ASP  15          1HB       ASP  15   2.915  -5.736  -3.226
  112   2HB   ASP  15          2HB       ASP  15   3.987  -6.861  -4.045
  113    H    LYS  16           H        LYS  16   0.718  -9.363  -3.016
  114    HA   LYS  16           HA       LYS  16   2.099 -11.887  -2.207
  115   1HB   LYS  16          1HB       LYS  16  -0.408 -12.452  -3.584
  116   2HB   LYS  16          2HB       LYS  16   0.023 -12.746  -1.923
  117   1HG   LYS  16          1HG       LYS  16  -0.561  -9.952  -1.945
  118   2HG   LYS  16          2HG       LYS  16  -1.639 -10.576  -3.188
  119   1HD   LYS  16          1HD       LYS  16  -1.504 -11.676  -0.302
  120   2HD   LYS  16          2HD       LYS  16  -2.637 -10.448  -0.862
  121   1HE   LYS  16          1HE       LYS  16  -4.108 -12.133  -1.207
  122   2HE   LYS  16          2HE       LYS  16  -3.242 -12.395  -2.735
  123   1HZ   LYS  16          1HZ       LYS  16  -1.617 -13.885  -1.225
  124   2HZ   LYS  16          2HZ       LYS  16  -2.849 -13.874  -0.125
  125   3HZ   LYS  16          3HZ       LYS  16  -3.094 -14.495  -1.610
  126    H    ASN  17           H        ASN  17   0.848 -10.517  -5.259
  127    HA   ASN  17           HA       ASN  17   2.104 -12.717  -6.861
  128   1HB   ASN  17          1HB       ASN  17   0.193 -10.440  -7.614
  129   2HB   ASN  17          2HB       ASN  17   0.836 -11.541  -8.803
  130   1HD2  ASN  17          1HD2      ASN  17  -1.780 -13.326  -6.263
  131   2HD2  ASN  17          2HD2      ASN  17  -0.242 -12.676  -5.608
  132    H    ALA  18           H        ALA  18   2.276  -9.080  -7.224
  133    HA   ALA  18           HA       ALA  18   4.334  -7.794  -6.949
  134   1HB   ALA  18          1HB       ALA  18   5.144  -9.725  -5.540
  135   2HB   ALA  18          2HB       ALA  18   5.677 -10.568  -7.011
  136   3HB   ALA  18          3HB       ALA  18   6.458  -9.049  -6.542
  137    H    ASP  19           H        ASP  19   3.261  -7.624  -9.361
  138    HA   ASP  19           HA       ASP  19   5.683  -7.514 -11.220
  139   1HB   ASP  19          1HB       ASP  19   3.023  -6.241 -11.975
  140   2HB   ASP  19          2HB       ASP  19   4.209  -7.044 -12.994
  141    H    GLY  20           H        GLY  20   4.293  -5.700  -8.718
  142   1HA   GLY  20          1HA       GLY  20   5.974  -4.022  -7.791
  143   2HA   GLY  20          2HA       GLY  20   6.103  -3.344  -9.419
  144    H    TYR  21           H        TYR  21   2.857  -4.013  -8.425
  145    HA   TYR  21           HA       TYR  21   2.435  -1.192  -7.272
  146   1HB   TYR  21          1HB       TYR  21   0.421  -3.150  -8.551
  147   2HB   TYR  21          2HB       TYR  21  -0.055  -1.710  -7.699
  148    HD1  TYR  21           HD1      TYR  21   3.035  -1.311  -9.628
  149    HD2  TYR  21           HD2      TYR  21  -1.252  -1.026  -9.823
  150    HE1  TYR  21           HE1      TYR  21   3.213   0.182 -11.579
  151    HE2  TYR  21           HE2      TYR  21  -1.044   0.446 -11.800
  152    HH   TYR  21           HH       TYR  21   1.790   1.901 -12.749
  153    H    ILE  22           H        ILE  22   0.987  -0.952  -5.462
  154    HA   ILE  22           HA       ILE  22   0.238  -3.484  -3.887
  155    HB   ILE  22           HB       ILE  22   0.085  -0.638  -2.770
  156   1HG1  ILE  22          1HG1      ILE  22   2.491  -2.446  -2.895
  157   2HG1  ILE  22          2HG1      ILE  22   2.401  -0.713  -2.731
  158   1HG2  ILE  22          1HG2      ILE  22  -1.413  -2.320  -1.607
  159   2HG2  ILE  22          2HG2      ILE  22  -0.024  -3.385  -1.316
  160   3HG2  ILE  22          3HG2      ILE  22  -0.136  -1.792  -0.524
  161   1HD1  ILE  22          1HD1      ILE  22   1.778  -0.924  -0.269
  162   2HD1  ILE  22          2HD1      ILE  22   2.070  -2.678  -0.392
  163   3HD1  ILE  22          3HD1      ILE  22   3.398  -1.537  -0.686
  164    H    ASP  23           H        ASP  23  -1.755  -4.170  -4.198
  165    HA   ASP  23           HA       ASP  23  -3.970  -2.251  -5.019
  166   1HB   ASP  23          1HB       ASP  23  -5.121  -4.615  -5.533
  167   2HB   ASP  23          2HB       ASP  23  -3.920  -3.938  -6.624
  168    H    ILE  24           H        ILE  24  -6.196  -2.818  -4.267
  169    HA   ILE  24           HA       ILE  24  -6.356  -2.674  -1.262
  170    HB   ILE  24           HB       ILE  24  -7.854  -1.407  -3.034
  171   1HG1  ILE  24          1HG1      ILE  24  -8.882  -0.616  -1.160
  172   2HG1  ILE  24          2HG1      ILE  24  -9.898  -2.031  -1.100
  173   1HG2  ILE  24          1HG2      ILE  24  -8.841  -3.442  -4.185
  174   2HG2  ILE  24          2HG2      ILE  24  -9.571  -3.969  -2.656
  175   3HG2  ILE  24          3HG2      ILE  24 -10.113  -2.474  -3.460
  176   1HD1  ILE  24          1HD1      ILE  24  -8.150  -3.292   0.254
  177   2HD1  ILE  24          2HD1      ILE  24  -7.213  -1.783   0.372
  178   3HD1  ILE  24          3HD1      ILE  24  -8.842  -1.869   1.075
  179    H    GLU  25           H        GLU  25  -6.330  -5.237  -3.554
  180    HA   GLU  25           HA       GLU  25  -7.647  -7.236  -1.747
  181   1HB   GLU  25          1HB       GLU  25  -7.391  -7.203  -4.402
  182   2HB   GLU  25          2HB       GLU  25  -5.911  -8.057  -4.090
  183   1HG   GLU  25          1HG       GLU  25  -8.224  -9.382  -4.554
  184   2HG   GLU  25          2HG       GLU  25  -7.021 -10.058  -3.471
  185    H    GLU  26           H        GLU  26  -4.330  -6.262  -2.432
  186    HA   GLU  26           HA       GLU  26  -3.074  -8.447  -0.795
  187   1HB   GLU  26          1HB       GLU  26  -0.986  -7.698  -1.465
  188   2HB   GLU  26          2HB       GLU  26  -2.004  -7.486  -2.857
  189   1HG   GLU  26          1HG       GLU  26  -0.912  -5.432  -3.001
  190   2HG   GLU  26          2HG       GLU  26  -2.127  -4.888  -1.860
  191    H    LEU  27           H        LEU  27  -3.701  -4.998  -0.295
  192    HA   LEU  27           HA       LEU  27  -1.927  -4.625   1.965
  193   1HB   LEU  27          1HB       LEU  27  -2.717  -2.811   0.495
  194   2HB   LEU  27          2HB       LEU  27  -4.357  -2.976   1.069
  195    HG   LEU  27           HG       LEU  27  -2.145  -2.262   3.071
  196   1HD1  LEU  27          1HD1      LEU  27  -1.871  -0.685   1.154
  197   2HD1  LEU  27          2HD1      LEU  27  -3.596  -0.226   1.239
  198   3HD1  LEU  27          3HD1      LEU  27  -2.480   0.144   2.586
  199   1HD2  LEU  27          1HD2      LEU  27  -5.160  -1.506   2.957
  200   2HD2  LEU  27          2HD2      LEU  27  -4.426  -2.751   4.012
  201   3HD2  LEU  27          3HD2      LEU  27  -4.000  -1.050   4.235
  202    H    GLY  28           H        GLY  28  -5.422  -5.250   2.028
  203   1HA   GLY  28          1HA       GLY  28  -5.976  -5.364   4.924
  204   2HA   GLY  28          2HA       GLY  28  -6.802  -6.325   3.691
  205    H    GLU  29           H        GLU  29  -4.835  -7.951   2.714
  206    HA   GLU  29           HA       GLU  29  -4.801 -10.155   4.680
  207   1HB   GLU  29          1HB       GLU  29  -4.931 -10.708   2.377
  208   2HB   GLU  29          2HB       GLU  29  -3.519  -9.791   1.947
  209   1HG   GLU  29          1HG       GLU  29  -3.275 -12.274   3.775
  210   2HG   GLU  29          2HG       GLU  29  -3.339 -12.437   2.029
  211    H    ILE  30           H        ILE  30  -2.379  -7.738   3.823
  212    HA   ILE  30           HA       ILE  30  -0.111  -8.855   5.442
  213    HB   ILE  30           HB       ILE  30  -0.600  -6.062   4.291
  214   1HG1  ILE  30          1HG1      ILE  30   0.024  -7.706   2.530
  215   2HG1  ILE  30          2HG1      ILE  30   1.287  -6.526   2.758
  216   1HG2  ILE  30          1HG2      ILE  30   0.768  -5.807   6.393
  217   2HG2  ILE  30          2HG2      ILE  30   1.929  -7.027   5.808
  218   3HG2  ILE  30          3HG2      ILE  30   1.750  -5.457   4.974
  219   1HD1  ILE  30          1HD1      ILE  30   1.498  -9.394   3.895
  220   2HD1  ILE  30          2HD1      ILE  30   2.300  -8.741   2.450
  221   3HD1  ILE  30          3HD1      ILE  30   2.711  -8.097   4.052
  222    H    LEU  31           H        LEU  31  -2.434  -6.173   5.987
  223    HA   LEU  31           HA       LEU  31  -1.544  -5.574   8.790
  224   1HB   LEU  31          1HB       LEU  31  -3.554  -4.156   8.927
  225   2HB   LEU  31          2HB       LEU  31  -2.571  -3.774   7.535
  226    HG   LEU  31           HG       LEU  31  -4.242  -5.279   6.145
  227   1HD1  LEU  31          1HD1      LEU  31  -5.923  -4.793   8.697
  228   2HD1  LEU  31          2HD1      LEU  31  -6.563  -5.359   7.130
  229   3HD1  LEU  31          3HD1      LEU  31  -5.407  -6.360   8.013
  230   1HD2  LEU  31          1HD2      LEU  31  -5.144  -2.558   7.336
  231   2HD2  LEU  31          2HD2      LEU  31  -4.212  -2.812   5.833
  232   3HD2  LEU  31          3HD2      LEU  31  -5.892  -3.350   5.924
  233    H    ARG  32           H        ARG  32  -3.617  -8.033   7.427
  234    HA   ARG  32           HA       ARG  32  -4.347  -8.988  10.205
  235   1HB   ARG  32          1HB       ARG  32  -5.264  -9.215   7.457
  236   2HB   ARG  32          2HB       ARG  32  -4.976 -10.853   8.038
  237   1HG   ARG  32          1HG       ARG  32  -6.542  -8.892   9.812
  238   2HG   ARG  32          2HG       ARG  32  -7.327  -9.529   8.355
  239   1HD   ARG  32          1HD       ARG  32  -6.673 -11.928   9.170
  240   2HD   ARG  32          2HD       ARG  32  -6.177 -11.190  10.710
  241    HE   ARG  32           HE       ARG  32  -8.984 -10.536   9.718
  242   1HH1  ARG  32          2HH1      ARG  32  -7.049 -12.274  12.021
  243   2HH1  ARG  32          1HH1      ARG  32  -8.478 -12.547  13.127
  244   1HH2  ARG  32          1HH2      ARG  32 -10.568 -10.860  10.990
  245   2HH2  ARG  32          2HH2      ARG  32 -10.367 -11.791  12.544
  246    H    ALA  33           H        ALA  33  -2.892 -10.825   7.510
  247    HA   ALA  33           HA       ALA  33  -1.930 -12.850   9.441
  248   1HB   ALA  33          1HB       ALA  33  -3.140 -13.407   7.338
  249   2HB   ALA  33          2HB       ALA  33  -1.805 -12.747   6.354
  250   3HB   ALA  33          3HB       ALA  33  -1.551 -14.190   7.360
  251    H    THR  34           H        THR  34   0.190 -13.927   7.735
  252    HA   THR  34           HA       THR  34   2.558 -12.741   9.145
  253    HB   THR  34           HB       THR  34   2.026 -15.289   8.353
  254    HG1  THR  34           HG1      THR  34   3.746 -14.910   9.623
  255   1HG2  THR  34          2HG2      THR  34   2.257 -14.654   5.861
  256   2HG2  THR  34          3HG2      THR  34   3.966 -14.249   6.168
  257   3HG2  THR  34          1HG2      THR  34   3.406 -15.917   6.373
  258    H    GLY  35           H        GLY  35   4.020 -11.253   8.299
  259   1HA   GLY  35          1HA       GLY  35   4.003 -10.231   5.545
  260   2HA   GLY  35          2HA       GLY  35   5.325 -10.008   6.696
  261   1HN   NH2  36          1HN       NH2  36   6.968 -10.198   5.082
  262   2HN   NH2  36          2HN       NH2  36   7.414 -11.788   4.405
  263   1H    ACE  37          1HH3      ACE  37 -14.894  -7.749  13.497
  264   2H    ACE  37          2HH3      ACE  37 -13.159  -7.756  13.964
  265   3H    ACE  37          3HH3      ACE  37 -14.241  -6.465  14.550
  266    H    VAL  38           H        VAL  38 -13.545  -7.862  11.286
  267    HA   VAL  38           HA       VAL  38 -12.900  -5.079  10.252
  268    HB   VAL  38           HB       VAL  38 -10.755  -6.107   9.120
  269   1HG1  VAL  38          1HG1      VAL  38 -10.769  -5.221  12.098
  270   2HG1  VAL  38          2HG1      VAL  38  -9.307  -5.309  11.089
  271   3HG1  VAL  38          3HG1      VAL  38 -10.593  -4.169  10.682
  272   1HG2  VAL  38          1HG2      VAL  38 -10.941  -8.465  10.027
  273   2HG2  VAL  38          2HG2      VAL  38  -9.456  -7.683  10.610
  274   3HG2  VAL  38          3HG2      VAL  38 -10.866  -7.838  11.688
  275    H    THR  39           H        THR  39 -14.676  -5.226   8.926
  276    HA   THR  39           HA       THR  39 -14.990  -7.620   7.032
  277    HB   THR  39           HB       THR  39 -17.368  -6.782   6.658
  278    HG1  THR  39           HG1      THR  39 -17.126  -5.517   9.154
  279   1HG2  THR  39          2HG2      THR  39 -16.612  -7.620   9.546
  280   2HG2  THR  39          3HG2      THR  39 -18.234  -7.757   8.825
  281   3HG2  THR  39          1HG2      THR  39 -16.891  -8.723   8.177
  282    H    GLU  40           H        GLU  40 -16.114  -6.703   4.844
  283    HA   GLU  40           HA       GLU  40 -13.674  -5.522   3.592
  284   1HB   GLU  40          1HB       GLU  40 -16.285  -6.540   2.398
  285   2HB   GLU  40          2HB       GLU  40 -15.041  -5.818   1.423
  286   1HG   GLU  40          1HG       GLU  40 -14.315  -8.006   1.145
  287   2HG   GLU  40          2HG       GLU  40 -13.519  -7.795   2.693
  288    H    GLU  41           H        GLU  41 -17.086  -4.444   3.582
  289    HA   GLU  41           HA       GLU  41 -16.727  -2.033   2.159
  290   1HB   GLU  41          1HB       GLU  41 -18.892  -3.005   2.462
  291   2HB   GLU  41          2HB       GLU  41 -18.877  -2.779   4.185
  292   1HG   GLU  41          1HG       GLU  41 -19.098  -0.265   3.888
  293   2HG   GLU  41          2HG       GLU  41 -19.015  -0.440   2.144
  294    H    ASP  42           H        ASP  42 -15.895  -2.472   5.482
  295    HA   ASP  42           HA       ASP  42 -15.579   0.466   6.147
  296   1HB   ASP  42          1HB       ASP  42 -15.054  -2.156   7.644
  297   2HB   ASP  42          2HB       ASP  42 -14.346  -0.659   8.233
  298    H    ILE  43           H        ILE  43 -13.489  -2.258   5.236
  299    HA   ILE  43           HA       ILE  43 -10.892  -0.741   5.291
  300    HB   ILE  43           HB       ILE  43 -11.676  -3.433   4.077
  301   1HG1  ILE  43          1HG1      ILE  43 -11.254  -3.975   6.312
  302   2HG1  ILE  43          2HG1      ILE  43  -9.650  -4.157   5.655
  303   1HG2  ILE  43          1HG2      ILE  43  -9.970  -2.431   2.507
  304   2HG2  ILE  43          2HG2      ILE  43  -8.880  -2.090   3.866
  305   3HG2  ILE  43          3HG2      ILE  43  -9.248  -3.767   3.392
  306   1HD1  ILE  43          1HD1      ILE  43  -8.978  -1.849   6.447
  307   2HD1  ILE  43          2HD1      ILE  43 -10.557  -1.691   7.262
  308   3HD1  ILE  43          3HD1      ILE  43  -9.422  -2.965   7.757
  309    H    GLU  44           H        GLU  44 -13.525  -1.208   3.037
  310    HA   GLU  44           HA       GLU  44 -12.198   0.029   0.650
  311   1HB   GLU  44          1HB       GLU  44 -14.849  -1.141   1.254
  312   2HB   GLU  44          2HB       GLU  44 -14.958   0.255   0.224
  313   1HG   GLU  44          1HG       GLU  44 -12.840  -1.460  -0.878
  314   2HG   GLU  44          2HG       GLU  44 -14.214  -2.485  -0.506
  315    H    ASP  45           H        ASP  45 -14.155   1.201   3.327
  316    HA   ASP  45           HA       ASP  45 -14.293   4.065   2.417
  317   1HB   ASP  45          1HB       ASP  45 -15.035   2.571   4.991
  318   2HB   ASP  45          2HB       ASP  45 -14.990   4.329   4.972
  319    H    LEU  46           H        LEU  46 -12.130   2.126   4.428
  320    HA   LEU  46           HA       LEU  46 -10.256   4.276   5.228
  321   1HB   LEU  46          1HB       LEU  46 -10.364   2.009   6.246
  322   2HB   LEU  46          2HB       LEU  46  -9.767   1.271   4.779
  323    HG   LEU  46           HG       LEU  46  -7.710   3.130   5.367
  324   1HD1  LEU  46          1HD1      LEU  46  -9.029   2.173   7.939
  325   2HD1  LEU  46          2HD1      LEU  46  -7.269   2.353   7.887
  326   3HD1  LEU  46          3HD1      LEU  46  -8.314   3.769   7.570
  327   1HD2  LEU  46          1HD2      LEU  46  -7.620   0.585   4.707
  328   2HD2  LEU  46          2HD2      LEU  46  -6.317   1.191   5.772
  329   3HD2  LEU  46          3HD2      LEU  46  -7.683   0.247   6.438
  330    H    MET  47           H        MET  47  -9.839   1.990   2.518
  331    HA   MET  47           HA       MET  47  -7.493   3.217   1.399
  332   1HB   MET  47          1HB       MET  47  -8.147   0.933   0.815
  333   2HB   MET  47          2HB       MET  47  -9.628   1.479   0.048
  334   1HG   MET  47          1HG       MET  47  -8.101   1.001  -1.775
  335   2HG   MET  47          2HG       MET  47  -8.218   2.768  -1.691
  336   1HE   MET  47          1HE       MET  47  -6.079   2.140  -3.331
  337   2HE   MET  47          2HE       MET  47  -6.130   3.751  -2.559
  338   3HE   MET  47          3HE       MET  47  -4.591   2.844  -2.607
  339    H    LYS  48           H        LYS  48 -10.898   3.849   0.550
  340    HA   LYS  48           HA       LYS  48 -10.267   5.838  -1.586
  341   1HB   LYS  48          1HB       LYS  48 -12.620   4.450  -0.438
  342   2HB   LYS  48          2HB       LYS  48 -13.035   6.082  -0.865
  343   1HG   LYS  48          1HG       LYS  48 -12.817   5.640  -3.219
  344   2HG   LYS  48          2HG       LYS  48 -11.485   4.552  -2.989
  345   1HD   LYS  48          1HD       LYS  48 -12.821   2.662  -2.420
  346   2HD   LYS  48          2HD       LYS  48 -14.252   3.568  -2.057
  347   1HE   LYS  48          1HE       LYS  48 -14.891   2.802  -4.200
  348   2HE   LYS  48          2HE       LYS  48 -14.028   4.231  -4.743
  349   1HZ   LYS  48          1HZ       LYS  48 -12.612   1.548  -4.471
  350   2HZ   LYS  48          2HZ       LYS  48 -13.124   2.191  -5.910
  351   3HZ   LYS  48          3HZ       LYS  48 -11.956   2.886  -5.007
  352    H    ASP  49           H        ASP  49 -10.914   6.010   1.840
  353    HA   ASP  49           HA       ASP  49 -11.252   9.009   1.993
  354   1HB   ASP  49          1HB       ASP  49 -12.267   7.495   3.724
  355   2HB   ASP  49          2HB       ASP  49 -10.671   6.964   4.232
  356    H    SER  50           H        SER  50  -8.586   6.708   2.372
  357    HA   SER  50           HA       SER  50  -6.396   8.699   2.826
  358   1HB   SER  50          1HB       SER  50  -6.246   5.840   1.658
  359   2HB   SER  50          2HB       SER  50  -4.876   6.789   2.226
  360    HG   SER  50           HG       SER  50  -5.293   5.885   4.055
  361    H    ASP  51           H        ASP  51  -7.956   7.245  -0.007
  362    HA   ASP  51           HA       ASP  51  -6.112   8.200  -2.055
  363   1HB   ASP  51          1HB       ASP  51  -7.781   6.291  -2.255
  364   2HB   ASP  51          2HB       ASP  51  -9.093   7.456  -2.372
  365    H    LYS  52           H        LYS  52  -6.407   9.801  -3.703
  366    HA   LYS  52           HA       LYS  52  -8.026  12.259  -2.911
  367   1HB   LYS  52          1HB       LYS  52  -5.063  12.178  -3.680
  368   2HB   LYS  52          2HB       LYS  52  -5.962  13.658  -3.813
  369   1HG   LYS  52          1HG       LYS  52  -4.968  13.918  -1.656
  370   2HG   LYS  52          2HG       LYS  52  -6.519  13.277  -1.211
  371   1HD   LYS  52          1HD       LYS  52  -5.684  11.446  -0.228
  372   2HD   LYS  52          2HD       LYS  52  -4.802  10.931  -1.626
  373   1HE   LYS  52          1HE       LYS  52  -2.935  12.728  -0.844
  374   2HE   LYS  52          2HE       LYS  52  -3.853  12.808   0.659
  375   1HZ   LYS  52          1HZ       LYS  52  -2.937  10.139  -0.449
  376   2HZ   LYS  52          2HZ       LYS  52  -1.979  10.946   0.521
  377   3HZ   LYS  52          3HZ       LYS  52  -3.441  10.408   1.080
  378    H    ASN  53           H        ASN  53  -5.762  12.013  -5.593
  379    HA   ASN  53           HA       ASN  53  -7.778  12.816  -7.549
  380   1HB   ASN  53          1HB       ASN  53  -5.934  13.145  -9.037
  381   2HB   ASN  53          2HB       ASN  53  -5.229  13.374  -7.461
  382   1HD2  ASN  53          1HD2      ASN  53  -3.656  10.595  -9.850
  383   2HD2  ASN  53          2HD2      ASN  53  -4.973  11.732 -10.384
  384    H    ASN  54           H        ASN  54  -7.785   9.903  -6.356
  385    HA   ASN  54           HA       ASN  54  -9.189   8.048  -6.965
  386   1HB   ASN  54          1HB       ASN  54  -9.573   9.892  -9.403
  387   2HB   ASN  54          2HB       ASN  54 -10.175   8.259  -9.474
  388   1HD2  ASN  54          1HD2      ASN  54 -12.941   8.987  -7.349
  389   2HD2  ASN  54          2HD2      ASN  54 -11.917   7.664  -8.070
  390    H    ASP  55           H        ASP  55  -6.290   8.104  -7.403
  391    HA   ASP  55           HA       ASP  55  -5.865   5.747  -9.245
  392   1HB   ASP  55          1HB       ASP  55  -4.013   6.471  -6.918
  393   2HB   ASP  55          2HB       ASP  55  -3.610   5.744  -8.467
  394    H    GLY  56           H        GLY  56  -7.800   4.647  -8.524
  395   1HA   GLY  56          1HA       GLY  56  -8.422   3.237  -6.069
  396   2HA   GLY  56          2HA       GLY  56  -8.594   2.532  -7.680
  397    H    ARG  57           H        ARG  57  -5.684   2.647  -8.264
  398    HA   ARG  57           HA       ARG  57  -4.578   0.616  -6.251
  399   1HB   ARG  57          1HB       ARG  57  -4.018   0.858  -9.270
  400   2HB   ARG  57          2HB       ARG  57  -3.360  -0.380  -8.199
  401   1HG   ARG  57          1HG       ARG  57  -5.689  -1.257  -7.748
  402   2HG   ARG  57          2HG       ARG  57  -6.394   0.043  -8.706
  403   1HD   ARG  57          1HD       ARG  57  -4.720  -0.974 -10.642
  404   2HD   ARG  57          2HD       ARG  57  -4.827  -2.412  -9.627
  405    HE   ARG  57           HE       ARG  57  -7.484  -2.009  -9.635
  406   1HH1  ARG  57          2HH1      ARG  57  -5.414  -1.671 -12.390
  407   2HH1  ARG  57          1HH1      ARG  57  -6.832  -1.888 -13.545
  408   1HH2  ARG  57          1HH2      ARG  57  -8.962  -2.392 -10.910
  409   2HH2  ARG  57          2HH2      ARG  57  -8.734  -2.408 -12.727
  410    H    ILE  58           H        ILE  58  -2.428   0.570  -5.714
  411    HA   ILE  58           HA       ILE  58  -1.047   3.283  -5.783
  412    HB   ILE  58           HB       ILE  58  -1.107   1.068  -3.679
  413   1HG1  ILE  58          1HG1      ILE  58  -2.050   4.013  -3.633
  414   2HG1  ILE  58          2HG1      ILE  58  -3.070   2.602  -3.638
  415   1HG2  ILE  58          1HG2      ILE  58   1.257   1.973  -3.714
  416   2HG2  ILE  58          2HG2      ILE  58   0.644   3.631  -3.551
  417   3HG2  ILE  58          3HG2      ILE  58   0.434   2.453  -2.234
  418   1HD1  ILE  58          1HD1      ILE  58  -2.211   1.875  -1.363
  419   2HD1  ILE  58          2HD1      ILE  58  -1.260   3.381  -1.271
  420   3HD1  ILE  58          3HD1      ILE  58  -3.034   3.455  -1.357
  421    H    ASP  59           H        ASP  59   1.063   3.556  -6.319
  422    HA   ASP  59           HA       ASP  59   2.824   1.113  -6.863
  423   1HB   ASP  59          1HB       ASP  59   3.984   2.539  -8.558
  424   2HB   ASP  59          2HB       ASP  59   2.261   2.408  -8.882
  425    H    PHE  60           H        PHE  60   5.291   2.162  -6.992
  426    HA   PHE  60           HA       PHE  60   6.191   2.073  -4.238
  427   1HB   PHE  60          1HB       PHE  60   7.481   1.495  -6.431
  428   2HB   PHE  60          2HB       PHE  60   7.842   3.184  -6.583
  429    HD1  PHE  60           HD1      PHE  60   7.910   2.431  -3.058
  430    HD2  PHE  60           HD2      PHE  60  10.202   1.955  -6.660
  431    HE1  PHE  60           HE1      PHE  60   9.980   2.237  -1.727
  432    HE2  PHE  60           HE2      PHE  60  12.258   1.791  -5.332
  433    HZ   PHE  60           HZ       PHE  60  12.163   1.938  -2.864
  434    H    ASP  61           H        ASP  61   5.802   4.916  -6.322
  435    HA   ASP  61           HA       ASP  61   6.752   7.088  -4.625
  436   1HB   ASP  61          1HB       ASP  61   4.173   7.313  -6.377
  437   2HB   ASP  61          2HB       ASP  61   5.560   8.363  -6.208
  438    H    GLU  62           H        GLU  62   3.350   6.298  -5.028
  439    HA   GLU  62           HA       GLU  62   2.129   7.485  -2.710
  440   1HB   GLU  62          1HB       GLU  62   1.254   4.766  -3.748
  441   2HB   GLU  62          2HB       GLU  62   0.282   5.968  -2.952
  442   1HG   GLU  62          1HG       GLU  62   1.544   6.527  -5.724
  443   2HG   GLU  62          2HG       GLU  62   0.017   5.679  -5.569
  444    H    PHE  63           H        PHE  63   4.066   4.496  -2.717
  445    HA   PHE  63           HA       PHE  63   3.364   3.527   0.026
  446   1HB   PHE  63          1HB       PHE  63   4.459   2.164  -1.846
  447   2HB   PHE  63          2HB       PHE  63   5.916   3.075  -1.634
  448    HD1  PHE  63           HD1      PHE  63   4.069   2.095   1.491
  449    HD2  PHE  63           HD2      PHE  63   7.067   0.848  -1.333
  450    HE1  PHE  63           HE1      PHE  63   5.194   0.767   3.244
  451    HE2  PHE  63           HE2      PHE  63   8.129  -0.511   0.401
  452    HZ   PHE  63           HZ       PHE  63   7.287  -0.449   2.724
  453    H    LEU  64           H        LEU  64   6.230   5.292  -1.191
  454    HA   LEU  64           HA       LEU  64   7.353   6.047   1.366
  455   1HB   LEU  64          1HB       LEU  64   7.583   7.393  -1.374
  456   2HB   LEU  64          2HB       LEU  64   8.485   7.966   0.006
  457    HG   LEU  64           HG       LEU  64   8.721   5.083  -1.047
  458   1HD1  LEU  64          1HD1      LEU  64  10.416   7.574  -1.764
  459   2HD1  LEU  64          2HD1      LEU  64  10.870   5.890  -2.139
  460   3HD1  LEU  64          3HD1      LEU  64   9.407   6.578  -2.849
  461   1HD2  LEU  64          1HD2      LEU  64  10.527   6.734   0.869
  462   2HD2  LEU  64          2HD2      LEU  64   9.575   5.278   1.281
  463   3HD2  LEU  64          3HD2      LEU  64  10.955   5.146   0.183
  464    H    LYS  65           H        LYS  65   4.764   7.664  -0.398
  465    HA   LYS  65           HA       LYS  65   4.557   9.980   1.493
  466   1HB   LYS  65          1HB       LYS  65   2.918   8.801  -0.816
  467   2HB   LYS  65          2HB       LYS  65   2.391  10.259   0.004
  468   1HG   LYS  65          1HG       LYS  65   5.220  10.492  -0.938
  469   2HG   LYS  65          2HG       LYS  65   4.150   9.960  -2.249
  470   1HD   LYS  65          1HD       LYS  65   2.528  11.867  -1.130
  471   2HD   LYS  65          2HD       LYS  65   4.080  12.587  -0.690
  472   1HE   LYS  65          1HE       LYS  65   4.603  12.296  -3.336
  473   2HE   LYS  65          2HE       LYS  65   2.852  12.046  -3.470
  474   1HZ   LYS  65          1HZ       LYS  65   2.854  14.254  -1.873
  475   2HZ   LYS  65          2HZ       LYS  65   4.250  14.567  -2.608
  476   3HZ   LYS  65          3HZ       LYS  65   2.865  14.431  -3.493
  477    H    MET  66           H        MET  66   2.415   7.080   0.978
  478    HA   MET  66           HA       MET  66   0.923   7.091   3.354
  479   1HB   MET  66          1HB       MET  66   0.457   5.331   1.860
  480   2HB   MET  66          2HB       MET  66   2.137   4.867   1.688
  481   1HG   MET  66          1HG       MET  66   2.077   3.334   3.394
  482   2HG   MET  66          2HG       MET  66   1.169   4.398   4.486
  483   1HE   MET  66          1HE       MET  66   1.024   1.131   3.524
  484   2HE   MET  66          2HE       MET  66  -0.333   0.791   2.409
  485   3HE   MET  66          3HE       MET  66   1.129   1.630   1.807
  486    H    MET  67           H        MET  67   4.403   6.119   3.291
  487    HA   MET  67           HA       MET  67   4.611   6.068   6.250
  488   1HB   MET  67          1HB       MET  67   6.476   5.920   3.924
  489   2HB   MET  67          2HB       MET  67   7.143   6.871   5.236
  490   1HG   MET  67          1HG       MET  67   7.898   4.600   5.610
  491   2HG   MET  67          2HG       MET  67   6.690   4.931   6.867
  492   1HE   MET  67          1HE       MET  67   7.247   2.160   6.731
  493   2HE   MET  67          2HE       MET  67   5.682   2.614   7.474
  494   3HE   MET  67          3HE       MET  67   5.757   1.253   6.313
  495    H    GLU  68           H        GLU  68   6.200   8.515   4.157
  496    HA   GLU  68           HA       GLU  68   6.573  10.247   6.555
  497   1HB   GLU  68          1HB       GLU  68   7.536  10.517   3.680
  498   2HB   GLU  68          2HB       GLU  68   7.839  11.749   4.867
  499   1HG   GLU  68          1HG       GLU  68   8.794   8.823   5.239
  500   2HG   GLU  68          2HG       GLU  68   9.770  10.051   4.454
  501    H    GLY  69           H        GLY  69   4.146  10.248   4.082
  502   1HA   GLY  69          1HA       GLY  69   3.677  13.284   4.321
  503   2HA   GLY  69          2HA       GLY  69   3.369  12.406   2.817
  504    H    VAL  70           H        VAL  70   2.447  11.074   5.950
  505    HA   VAL  70           HA       VAL  70  -0.514  11.597   5.331
  506    HB   VAL  70           HB       VAL  70   0.525   9.177   5.561
  507   1HG1  VAL  70          1HG1      VAL  70   0.016   9.836   8.551
  508   2HG1  VAL  70          2HG1      VAL  70   0.263   8.198   7.894
  509   3HG1  VAL  70          3HG1      VAL  70   1.575   9.376   7.826
  510   1HG2  VAL  70          1HG2      VAL  70  -1.946   9.624   5.263
  511   2HG2  VAL  70          2HG2      VAL  70  -1.676   8.275   6.356
  512   3HG2  VAL  70          3HG2      VAL  70  -2.138   9.874   7.012
  513    H    GLN  71           H        GLN  71   1.374  13.499   6.613
  514    HA   GLN  71           HA       GLN  71   0.730  13.335   9.566
  515   1HB   GLN  71          1HB       GLN  71   3.110  13.229   8.378
  516   2HB   GLN  71          2HB       GLN  71   3.010  14.988   8.409
  517   1HG   GLN  71          1HG       GLN  71   2.890  13.065  10.833
  518   2HG   GLN  71          2HG       GLN  71   4.220  14.141  10.449
  519   1HE2  GLN  71          1HE2      GLN  71   1.108  15.518  12.632
  520   2HE2  GLN  71          2HE2      GLN  71   1.174  13.799  11.954
  521   1HN   NH2  72          1HN       NH2  72   0.612  15.751   6.848
  522   2HN   NH2  72          2HN       NH2  72  -0.191  17.044   7.779
   
  No H/Q in entry =         522
  Start of MODEL   40
    1   1H    ACE   1          1HH3      ACE   1  19.028  11.035   2.880
    2   2H    ACE   1          2HH3      ACE   1  19.632  11.909   1.427
    3   3H    ACE   1          3HH3      ACE   1  17.908  11.997   1.889
    4    H    LYS   2           H        LYS   2  20.392   9.639   0.833
    5    HA   LYS   2           HA       LYS   2  18.560   8.044  -0.791
    6   1HB   LYS   2          1HB       LYS   2  21.392   7.738   0.181
    7   2HB   LYS   2          2HB       LYS   2  20.629   6.245  -0.320
    8   1HG   LYS   2          1HG       LYS   2  21.145   8.812  -2.021
    9   2HG   LYS   2          2HG       LYS   2  21.933   7.266  -2.201
   10   1HD   LYS   2          1HD       LYS   2  19.321   6.448  -2.628
   11   2HD   LYS   2          2HD       LYS   2  19.156   8.134  -3.124
   12   1HE   LYS   2          1HE       LYS   2  20.924   7.964  -4.798
   13   2HE   LYS   2          2HE       LYS   2  21.469   6.376  -4.229
   14   1HZ   LYS   2          1HZ       LYS   2  18.751   5.975  -4.692
   15   2HZ   LYS   2          2HZ       LYS   2  19.018   6.982  -5.860
   16   3HZ   LYS   2          3HZ       LYS   2  19.855   5.547  -5.794
   17    H    SER   3           H        SER   3  17.071   6.574  -0.228
   18    HA   SER   3           HA       SER   3  17.054   5.018   2.284
   19   1HB   SER   3          1HB       SER   3  15.793   7.745   2.272
   20   2HB   SER   3          2HB       SER   3  14.827   6.500   3.027
   21    HG   SER   3           HG       SER   3  17.109   5.961   4.024
   22    H    GLU   4           H        GLU   4  16.648   4.452  -0.472
   23    HA   GLU   4           HA       GLU   4  13.690   3.697  -0.650
   24   1HB   GLU   4          1HB       GLU   4  15.337   3.683  -3.164
   25   2HB   GLU   4          2HB       GLU   4  13.609   3.687  -2.905
   26   1HG   GLU   4          1HG       GLU   4  14.166   6.221  -1.931
   27   2HG   GLU   4          2HG       GLU   4  15.535   6.048  -3.023
   28    H    GLU   5           H        GLU   5  16.906   2.492  -0.497
   29    HA   GLU   5           HA       GLU   5  16.843   0.078  -1.859
   30   1HB   GLU   5          1HB       GLU   5  18.904   0.746  -1.056
   31   2HB   GLU   5          2HB       GLU   5  18.382   0.919   0.592
   32   1HG   GLU   5          1HG       GLU   5  18.741  -1.388   1.107
   33   2HG   GLU   5          2HG       GLU   5  18.436  -1.935  -0.531
   34    H    GLU   6           H        GLU   6  15.745   0.276   1.527
   35    HA   GLU   6           HA       GLU   6  15.037  -2.620   1.533
   36   1HB   GLU   6          1HB       GLU   6  14.521  -2.175   4.004
   37   2HB   GLU   6          2HB       GLU   6  16.165  -2.093   3.450
   38   1HG   GLU   6          1HG       GLU   6  16.190   0.393   3.614
   39   2HG   GLU   6          2HG       GLU   6  14.456   0.462   3.870
   40    H    LEU   7           H        LEU   7  13.152   0.354   1.565
   41    HA   LEU   7           HA       LEU   7  10.455  -1.017   1.505
   42   1HB   LEU   7          1HB       LEU   7  11.333   1.825   0.757
   43   2HB   LEU   7          2HB       LEU   7   9.684   1.267   0.613
   44    HG   LEU   7           HG       LEU   7  11.287   1.695   3.190
   45   1HD1  LEU   7          1HD1      LEU   7  10.183   3.691   2.197
   46   2HD1  LEU   7          2HD1      LEU   7   8.607   2.857   2.167
   47   3HD1  LEU   7          3HD1      LEU   7   9.395   3.246   3.718
   48   1HD2  LEU   7          1HD2      LEU   7   8.531   0.275   2.944
   49   2HD2  LEU   7          2HD2      LEU   7  10.044  -0.431   3.576
   50   3HD2  LEU   7          3HD2      LEU   7   9.248   0.869   4.466
   51    H    ALA   8           H        ALA   8  12.930  -0.169  -0.912
   52    HA   ALA   8           HA       ALA   8  11.530  -1.185  -3.229
   53   1HB   ALA   8          1HB       ALA   8  14.541  -1.236  -2.515
   54   2HB   ALA   8          2HB       ALA   8  13.871  -1.491  -4.139
   55   3HB   ALA   8          3HB       ALA   8  13.658   0.071  -3.339
   56    H    ASN   9           H        ASN   9  14.065  -3.192  -1.610
   57    HA   ASN   9           HA       ASN   9  13.272  -5.830  -2.047
   58   1HB   ASN   9          1HB       ASN   9  13.894  -4.719   0.778
   59   2HB   ASN   9          2HB       ASN   9  14.061  -6.378   0.274
   60   1HD2  ASN   9          1HD2      ASN   9  16.875  -4.914  -1.959
   61   2HD2  ASN   9          2HD2      ASN   9  15.163  -5.319  -2.426
   62    H    ALA  10           H        ALA  10  11.618  -3.815   0.414
   63    HA   ALA  10           HA       ALA  10   9.653  -5.837   1.328
   64   1HB   ALA  10          1HB       ALA  10  10.382  -3.841   2.651
   65   2HB   ALA  10          2HB       ALA  10   9.597  -2.743   1.486
   66   3HB   ALA  10          3HB       ALA  10   8.618  -3.863   2.459
   67    H    PHE  11           H        PHE  11   9.396  -3.212  -1.084
   68    HA   PHE  11           HA       PHE  11   6.554  -3.606  -1.688
   69   1HB   PHE  11          1HB       PHE  11   7.823  -1.467  -1.976
   70   2HB   PHE  11          2HB       PHE  11   8.743  -2.156  -3.270
   71    HD1  PHE  11           HD1      PHE  11   5.007  -2.433  -2.761
   72    HD2  PHE  11           HD2      PHE  11   8.173  -0.853  -5.211
   73    HE1  PHE  11           HE1      PHE  11   3.350  -1.545  -4.348
   74    HE2  PHE  11           HE2      PHE  11   6.497   0.020  -6.791
   75    HZ   PHE  11           HZ       PHE  11   4.089  -0.403  -6.402
   76    H    ARG  12           H        ARG  12   9.439  -4.838  -3.366
   77    HA   ARG  12           HA       ARG  12   7.898  -6.261  -5.437
   78   1HB   ARG  12          1HB       ARG  12  10.842  -6.370  -4.590
   79   2HB   ARG  12          2HB       ARG  12  10.219  -7.416  -5.861
   80   1HG   ARG  12          1HG       ARG  12   9.261  -5.073  -6.867
   81   2HG   ARG  12          2HG       ARG  12  10.514  -4.354  -5.848
   82   1HD   ARG  12          1HD       ARG  12  12.175  -6.089  -6.983
   83   2HD   ARG  12          2HD       ARG  12  10.882  -6.321  -8.192
   84    HE   ARG  12           HE       ARG  12  10.943  -3.639  -8.375
   85   1HH1  ARG  12          2HH1      ARG  12  13.758  -5.561  -7.753
   86   2HH1  ARG  12          1HH1      ARG  12  14.882  -4.273  -8.405
   87   1HH2  ARG  12          1HH2      ARG  12  12.213  -2.210  -9.090
   88   2HH2  ARG  12          2HH2      ARG  12  14.019  -2.460  -9.140
   89    H    ILE  13           H        ILE  13   9.120  -7.254  -2.285
   90    HA   ILE  13           HA       ILE  13   8.618 -10.181  -2.592
   91    HB   ILE  13           HB       ILE  13   9.181  -8.417  -0.160
   92   1HG1  ILE  13          1HG1      ILE  13  11.108  -9.153  -1.808
   93   2HG1  ILE  13          2HG1      ILE  13  11.361  -9.291  -0.089
   94   1HG2  ILE  13          1HG2      ILE  13   7.667 -10.267   0.658
   95   2HG2  ILE  13          2HG2      ILE  13   8.715 -11.491  -0.098
   96   3HG2  ILE  13          3HG2      ILE  13   9.292 -10.518   1.270
   97   1HD1  ILE  13          1HD1      ILE  13  10.849 -11.755  -0.109
   98   2HD1  ILE  13          2HD1      ILE  13  10.645 -11.692  -1.877
   99   3HD1  ILE  13          3HD1      ILE  13  12.222 -11.323  -1.153
  100    H    PHE  14           H        PHE  14   6.733  -7.416  -1.544
  101    HA   PHE  14           HA       PHE  14   4.332  -8.854  -0.438
  102   1HB   PHE  14          1HB       PHE  14   4.850  -5.997  -1.465
  103   2HB   PHE  14          2HB       PHE  14   3.236  -6.533  -1.134
  104    HD1  PHE  14           HD1      PHE  14   4.202  -8.350   1.361
  105    HD2  PHE  14           HD2      PHE  14   4.707  -4.225   0.276
  106    HE1  PHE  14           HE1      PHE  14   4.496  -7.757   3.734
  107    HE2  PHE  14           HE2      PHE  14   5.023  -3.642   2.647
  108    HZ   PHE  14           HZ       PHE  14   4.944  -5.403   4.378
  109    H    ASP  15           H        ASP  15   5.215  -7.437  -3.602
  110    HA   ASP  15           HA       ASP  15   2.735  -8.111  -4.954
  111   1HB   ASP  15          1HB       ASP  15   4.259  -6.257  -5.609
  112   2HB   ASP  15          2HB       ASP  15   5.508  -7.390  -6.101
  113    H    LYS  16           H        LYS  16   1.991  -9.779  -6.082
  114    HA   LYS  16           HA       LYS  16   3.422 -12.436  -5.881
  115   1HB   LYS  16          1HB       LYS  16   0.677 -12.118  -7.182
  116   2HB   LYS  16          2HB       LYS  16   1.361 -13.536  -6.438
  117   1HG   LYS  16          1HG       LYS  16   0.919 -11.166  -4.579
  118   2HG   LYS  16          2HG       LYS  16  -0.539 -11.796  -5.335
  119   1HD   LYS  16          1HD       LYS  16  -0.052 -12.821  -3.062
  120   2HD   LYS  16          2HD       LYS  16  -0.284 -13.972  -4.377
  121   1HE   LYS  16          1HE       LYS  16   2.390 -13.932  -4.590
  122   2HE   LYS  16          2HE       LYS  16   2.325 -13.402  -2.897
  123   1HZ   LYS  16          1HZ       LYS  16   0.513 -15.698  -3.671
  124   2HZ   LYS  16          2HZ       LYS  16   2.122 -16.019  -3.470
  125   3HZ   LYS  16          3HZ       LYS  16   1.261 -15.389  -2.240
  126    H    ASN  17           H        ASN  17   2.133 -10.201  -8.328
  127    HA   ASN  17           HA       ASN  17   2.978 -12.014 -10.557
  128   1HB   ASN  17          1HB       ASN  17   1.555  -9.469 -11.254
  129   2HB   ASN  17          2HB       ASN  17   1.271 -11.100 -11.802
  130   1HD2  ASN  17          1HD2      ASN  17  -1.202 -11.650  -9.244
  131   2HD2  ASN  17          2HD2      ASN  17  -0.143 -12.466 -10.440
  132    H    ALA  18           H        ALA  18   3.860  -8.685  -9.554
  133    HA   ALA  18           HA       ALA  18   6.063  -7.698  -9.720
  134   1HB   ALA  18          1HB       ALA  18   6.854 -10.061  -9.320
  135   2HB   ALA  18          2HB       ALA  18   6.768 -10.380 -11.067
  136   3HB   ALA  18          3HB       ALA  18   7.930  -9.193 -10.449
  137    H    ASP  19           H        ASP  19   4.065  -7.156 -11.733
  138    HA   ASP  19           HA       ASP  19   5.750  -6.195 -14.068
  139   1HB   ASP  19          1HB       ASP  19   3.726  -5.076 -14.848
  140   2HB   ASP  19          2HB       ASP  19   3.289  -6.706 -14.353
  141    H    GLY  20           H        GLY  20   4.920  -5.159 -10.844
  142   1HA   GLY  20          1HA       GLY  20   6.954  -3.417 -10.061
  143   2HA   GLY  20          2HA       GLY  20   6.131  -2.417 -11.268
  144    H    TYR  21           H        TYR  21   3.520  -3.911 -10.112
  145    HA   TYR  21           HA       TYR  21   2.932  -1.337  -8.518
  146   1HB   TYR  21          1HB       TYR  21   1.152  -2.747 -10.609
  147   2HB   TYR  21          2HB       TYR  21   0.615  -1.449  -9.585
  148    HD1  TYR  21           HD1      TYR  21   3.283   0.271  -9.783
  149    HD2  TYR  21           HD2      TYR  21   0.833  -1.685 -12.728
  150    HE1  TYR  21           HE1      TYR  21   4.003   1.903 -11.496
  151    HE2  TYR  21           HE2      TYR  21   1.588  -0.061 -14.420
  152    HH   TYR  21           HH       TYR  21   3.641   1.473 -14.723
  153    H    ILE  22           H        ILE  22   1.146  -1.392  -7.052
  154    HA   ILE  22           HA       ILE  22   0.195  -4.155  -6.102
  155    HB   ILE  22           HB       ILE  22   0.306  -1.527  -4.528
  156   1HG1  ILE  22          1HG1      ILE  22   1.765  -4.159  -3.835
  157   2HG1  ILE  22          2HG1      ILE  22   2.514  -2.911  -4.793
  158   1HG2  ILE  22          1HG2      ILE  22  -1.757  -2.840  -3.860
  159   2HG2  ILE  22          2HG2      ILE  22  -0.766  -4.279  -3.555
  160   3HG2  ILE  22          3HG2      ILE  22  -0.596  -2.822  -2.544
  161   1HD1  ILE  22          1HD1      ILE  22   2.216  -1.214  -2.916
  162   2HD1  ILE  22          2HD1      ILE  22   1.640  -2.538  -1.872
  163   3HD1  ILE  22          3HD1      ILE  22   3.290  -2.581  -2.526
  164    H    ASP  23           H        ASP  23  -1.924  -4.640  -6.060
  165    HA   ASP  23           HA       ASP  23  -3.931  -2.647  -7.203
  166   1HB   ASP  23          1HB       ASP  23  -5.326  -4.712  -7.675
  167   2HB   ASP  23          2HB       ASP  23  -3.758  -4.718  -8.470
  168    H    ILE  24           H        ILE  24  -6.125  -2.644  -6.375
  169    HA   ILE  24           HA       ILE  24  -6.265  -1.866  -3.512
  170    HB   ILE  24           HB       ILE  24  -7.854  -1.107  -5.421
  171   1HG1  ILE  24          1HG1      ILE  24  -9.518  -0.336  -3.907
  172   2HG1  ILE  24          2HG1      ILE  24  -9.551  -1.818  -2.991
  173   1HG2  ILE  24          1HG2      ILE  24  -8.690  -3.379  -6.179
  174   2HG2  ILE  24          2HG2      ILE  24  -9.421  -3.657  -4.586
  175   3HG2  ILE  24          3HG2      ILE  24 -10.034  -2.375  -5.662
  176   1HD1  ILE  24          1HD1      ILE  24  -7.270  -1.304  -1.982
  177   2HD1  ILE  24          2HD1      ILE  24  -7.338   0.300  -2.751
  178   3HD1  ILE  24          3HD1      ILE  24  -8.557  -0.151  -1.540
  179    H    GLU  25           H        GLU  25  -6.618  -4.911  -5.172
  180    HA   GLU  25           HA       GLU  25  -8.073  -6.303  -2.949
  181   1HB   GLU  25          1HB       GLU  25  -6.898  -7.804  -5.292
  182   2HB   GLU  25          2HB       GLU  25  -8.313  -8.169  -4.353
  183   1HG   GLU  25          1HG       GLU  25  -9.719  -6.729  -5.628
  184   2HG   GLU  25          2HG       GLU  25  -8.434  -5.602  -6.019
  185    H    GLU  26           H        GLU  26  -4.743  -6.042  -3.961
  186    HA   GLU  26           HA       GLU  26  -3.690  -8.186  -2.147
  187   1HB   GLU  26          1HB       GLU  26  -2.317  -6.094  -3.873
  188   2HB   GLU  26          2HB       GLU  26  -1.411  -7.063  -2.752
  189   1HG   GLU  26          1HG       GLU  26  -2.064  -9.176  -3.985
  190   2HG   GLU  26          2HG       GLU  26  -3.107  -8.265  -5.061
  191    H    LEU  27           H        LEU  27  -4.515  -4.862  -1.752
  192    HA   LEU  27           HA       LEU  27  -2.809  -3.861   0.402
  193   1HB   LEU  27          1HB       LEU  27  -4.485  -2.511  -0.829
  194   2HB   LEU  27          2HB       LEU  27  -5.802  -3.417  -0.129
  195    HG   LEU  27           HG       LEU  27  -3.891  -1.929   1.747
  196   1HD1  LEU  27          1HD1      LEU  27  -4.502  -0.275  -0.020
  197   2HD1  LEU  27          2HD1      LEU  27  -6.241  -0.593   0.232
  198   3HD1  LEU  27          3HD1      LEU  27  -5.244   0.134   1.525
  199   1HD2  LEU  27          1HD2      LEU  27  -6.941  -2.513   1.924
  200   2HD2  LEU  27          2HD2      LEU  27  -5.650  -3.391   2.798
  201   3HD2  LEU  27          3HD2      LEU  27  -5.947  -1.685   3.154
  202    H    GLY  28           H        GLY  28  -6.003  -5.399   0.888
  203   1HA   GLY  28          1HA       GLY  28  -5.865  -5.571   3.745
  204   2HA   GLY  28          2HA       GLY  28  -6.947  -6.578   2.776
  205    H    GLU  29           H        GLU  29  -4.871  -8.106   1.448
  206    HA   GLU  29           HA       GLU  29  -4.062 -10.053   3.560
  207   1HB   GLU  29          1HB       GLU  29  -3.157 -11.422   1.733
  208   2HB   GLU  29          2HB       GLU  29  -4.827 -10.992   1.524
  209   1HG   GLU  29          1HG       GLU  29  -4.312  -9.455  -0.340
  210   2HG   GLU  29          2HG       GLU  29  -2.595  -9.458   0.019
  211    H    ILE  30           H        ILE  30  -2.430  -7.469   1.901
  212    HA   ILE  30           HA       ILE  30   0.399  -8.019   2.647
  213    HB   ILE  30           HB       ILE  30  -1.069  -5.380   2.145
  214   1HG1  ILE  30          1HG1      ILE  30  -0.555  -5.571  -0.074
  215   2HG1  ILE  30          2HG1      ILE  30   1.128  -5.859   0.274
  216   1HG2  ILE  30          1HG2      ILE  30   0.871  -4.926   3.692
  217   2HG2  ILE  30          2HG2      ILE  30   1.981  -5.765   2.579
  218   3HG2  ILE  30          3HG2      ILE  30   1.183  -4.240   2.101
  219   1HD1  ILE  30          1HD1      ILE  30  -0.942  -8.155   0.175
  220   2HD1  ILE  30          2HD1      ILE  30   0.253  -7.721  -1.066
  221   3HD1  ILE  30          3HD1      ILE  30   0.801  -8.310   0.515
  222    H    LEU  31           H        LEU  31  -2.181  -6.145   4.258
  223    HA   LEU  31           HA       LEU  31  -0.706  -5.577   6.807
  224   1HB   LEU  31          1HB       LEU  31  -3.715  -5.769   6.771
  225   2HB   LEU  31          2HB       LEU  31  -2.692  -4.645   7.636
  226    HG   LEU  31           HG       LEU  31  -2.863  -4.405   4.593
  227   1HD1  LEU  31          1HD1      LEU  31  -4.981  -3.384   6.601
  228   2HD1  LEU  31          2HD1      LEU  31  -4.848  -2.882   4.895
  229   3HD1  LEU  31          3HD1      LEU  31  -5.210  -4.567   5.283
  230   1HD2  LEU  31          1HD2      LEU  31  -2.470  -2.352   6.886
  231   2HD2  LEU  31          2HD2      LEU  31  -1.238  -2.891   5.710
  232   3HD2  LEU  31          3HD2      LEU  31  -2.618  -1.935   5.158
  233    H    ARG  32           H        ARG  32  -3.064  -8.087   5.865
  234    HA   ARG  32           HA       ARG  32  -3.241  -9.121   8.640
  235   1HB   ARG  32          1HB       ARG  32  -4.980  -8.744   6.682
  236   2HB   ARG  32          2HB       ARG  32  -4.512 -10.351   6.128
  237   1HG   ARG  32          1HG       ARG  32  -6.568 -10.403   7.565
  238   2HG   ARG  32          2HG       ARG  32  -5.252 -11.333   8.303
  239   1HD   ARG  32          1HD       ARG  32  -4.689  -9.451   9.852
  240   2HD   ARG  32          2HD       ARG  32  -5.862  -8.383   9.050
  241    HE   ARG  32           HE       ARG  32  -6.535 -10.409  11.086
  242   1HH1  ARG  32          2HH1      ARG  32  -7.845  -9.082   8.155
  243   2HH1  ARG  32          1HH1      ARG  32  -9.555  -9.506   8.639
  244   1HH2  ARG  32          1HH2      ARG  32  -8.472 -10.881  11.592
  245   2HH2  ARG  32          2HH2      ARG  32  -9.866 -10.505  10.479
  246    H    ALA  33           H        ALA  33  -1.778 -10.378   5.654
  247    HA   ALA  33           HA       ALA  33  -1.917 -13.157   6.252
  248   1HB   ALA  33          1HB       ALA  33  -1.604 -12.177   3.984
  249   2HB   ALA  33          2HB       ALA  33   0.068 -11.700   4.384
  250   3HB   ALA  33          3HB       ALA  33  -0.378 -13.418   4.294
  251    H    THR  34           H        THR  34   1.417 -11.754   6.040
  252    HA   THR  34           HA       THR  34   2.305 -13.811   8.082
  253    HB   THR  34           HB       THR  34   2.426 -15.103   6.001
  254    HG1  THR  34           HG1      THR  34   4.153 -15.728   6.992
  255   1HG2  THR  34          2HG2      THR  34   2.635 -13.086   4.404
  256   2HG2  THR  34          3HG2      THR  34   4.341 -12.927   4.897
  257   3HG2  THR  34          1HG2      THR  34   3.802 -14.386   4.048
  258    H    GLY  35           H        GLY  35   2.562 -11.789   9.221
  259   1HA   GLY  35          1HA       GLY  35   5.498 -11.441   9.399
  260   2HA   GLY  35          2HA       GLY  35   4.747  -9.870   9.093
  261   1HN   NH2  36          1HN       NH2  36   5.237  -8.843  11.048
  262   2HN   NH2  36          2HN       NH2  36   4.513  -9.333  12.603
  263   1H    ACE  37          1HH3      ACE  37 -12.581  -2.477  14.660
  264   2H    ACE  37          2HH3      ACE  37 -14.038  -2.150  13.661
  265   3H    ACE  37          3HH3      ACE  37 -13.746  -3.783  14.313
  266    H    VAL  38           H        VAL  38 -12.392  -1.358  12.102
  267    HA   VAL  38           HA       VAL  38 -10.849  -1.512  10.228
  268    HB   VAL  38           HB       VAL  38  -9.238  -1.604  11.941
  269   1HG1  VAL  38          1HG1      VAL  38  -9.965  -4.578  12.469
  270   2HG1  VAL  38          2HG1      VAL  38  -8.585  -3.739  13.215
  271   3HG1  VAL  38          3HG1      VAL  38 -10.234  -3.212  13.566
  272   1HG2  VAL  38          1HG2      VAL  38  -8.261  -2.437   9.757
  273   2HG2  VAL  38          2HG2      VAL  38  -7.449  -3.200  11.140
  274   3HG2  VAL  38          3HG2      VAL  38  -8.664  -4.109  10.208
  275    H    THR  39           H        THR  39 -12.210  -2.379   8.612
  276    HA   THR  39           HA       THR  39 -12.151  -5.366   8.120
  277    HB   THR  39           HB       THR  39 -14.552  -5.670   7.891
  278    HG1  THR  39           HG1      THR  39 -15.919  -3.976   8.773
  279   1HG2  THR  39          2HG2      THR  39 -13.901  -4.257  10.573
  280   2HG2  THR  39          3HG2      THR  39 -15.283  -5.343  10.291
  281   3HG2  THR  39          1HG2      THR  39 -13.626  -5.976  10.207
  282    H    GLU  40           H        GLU  40 -14.319  -5.009   6.076
  283    HA   GLU  40           HA       GLU  40 -13.021  -3.795   3.751
  284   1HB   GLU  40          1HB       GLU  40 -15.968  -4.374   4.265
  285   2HB   GLU  40          2HB       GLU  40 -15.392  -3.735   2.756
  286   1HG   GLU  40          1HG       GLU  40 -13.762  -5.964   2.857
  287   2HG   GLU  40          2HG       GLU  40 -15.051  -6.553   3.890
  288    H    GLU  41           H        GLU  41 -15.536  -2.337   5.826
  289    HA   GLU  41           HA       GLU  41 -15.784   0.081   4.313
  290   1HB   GLU  41          1HB       GLU  41 -16.614  -0.531   7.177
  291   2HB   GLU  41          2HB       GLU  41 -16.984   0.992   6.428
  292   1HG   GLU  41          1HG       GLU  41 -17.918  -1.700   5.209
  293   2HG   GLU  41          2HG       GLU  41 -18.866  -0.824   6.396
  294    H    ASP  42           H        ASP  42 -13.610  -0.481   7.013
  295    HA   ASP  42           HA       ASP  42 -12.490   2.285   7.237
  296   1HB   ASP  42          1HB       ASP  42 -11.679  -0.497   8.210
  297   2HB   ASP  42          2HB       ASP  42 -10.484   0.792   8.249
  298    H    ILE  43           H        ILE  43 -11.626  -0.596   5.327
  299    HA   ILE  43           HA       ILE  43  -9.167   0.605   4.072
  300    HB   ILE  43           HB       ILE  43 -10.753  -1.933   3.442
  301   1HG1  ILE  43          1HG1      ILE  43  -9.426  -2.646   5.218
  302   2HG1  ILE  43          2HG1      ILE  43  -8.306  -2.932   3.914
  303   1HG2  ILE  43          1HG2      ILE  43  -9.847  -1.080   1.244
  304   2HG2  ILE  43          2HG2      ILE  43  -8.222  -0.926   1.942
  305   3HG2  ILE  43          3HG2      ILE  43  -8.973  -2.527   1.723
  306   1HD1  ILE  43          1HD1      ILE  43  -7.127  -0.733   4.340
  307   2HD1  ILE  43          2HD1      ILE  43  -8.155  -0.482   5.774
  308   3HD1  ILE  43          3HD1      ILE  43  -7.052  -1.873   5.702
  309    H    GLU  44           H        GLU  44 -12.598   0.512   3.393
  310    HA   GLU  44           HA       GLU  44 -12.461   1.529   0.576
  311   1HB   GLU  44          1HB       GLU  44 -14.615   0.755   2.471
  312   2HB   GLU  44          2HB       GLU  44 -15.044   2.094   1.451
  313   1HG   GLU  44          1HG       GLU  44 -13.911   0.093  -0.338
  314   2HG   GLU  44          2HG       GLU  44 -14.944  -0.783   0.777
  315    H    ASP  45           H        ASP  45 -12.793   2.984   3.764
  316    HA   ASP  45           HA       ASP  45 -13.070   5.832   2.854
  317   1HB   ASP  45          1HB       ASP  45 -12.522   4.447   5.533
  318   2HB   ASP  45          2HB       ASP  45 -12.291   6.184   5.383
  319    H    LEU  46           H        LEU  46 -10.389   3.683   3.671
  320    HA   LEU  46           HA       LEU  46  -8.217   5.697   3.516
  321   1HB   LEU  46          1HB       LEU  46  -8.082   3.518   4.714
  322   2HB   LEU  46          2HB       LEU  46  -8.124   2.636   3.206
  323    HG   LEU  46           HG       LEU  46  -5.857   4.651   3.573
  324   1HD1  LEU  46          1HD1      LEU  46  -6.167   2.034   5.117
  325   2HD1  LEU  46          2HD1      LEU  46  -4.561   2.628   4.670
  326   3HD1  LEU  46          3HD1      LEU  46  -5.613   3.622   5.721
  327   1HD2  LEU  46          1HD2      LEU  46  -6.328   2.116   1.951
  328   2HD2  LEU  46          2HD2      LEU  46  -5.456   3.620   1.529
  329   3HD2  LEU  46          3HD2      LEU  46  -4.676   2.421   2.563
  330    H    MET  47           H        MET  47  -8.979   3.190   1.092
  331    HA   MET  47           HA       MET  47  -7.280   4.591  -0.949
  332   1HB   MET  47          1HB       MET  47  -7.873   1.900  -0.360
  333   2HB   MET  47          2HB       MET  47  -8.761   2.169  -1.850
  334   1HG   MET  47          1HG       MET  47  -5.865   3.128  -1.819
  335   2HG   MET  47          2HG       MET  47  -6.183   1.386  -1.916
  336   1HE   MET  47          1HE       MET  47  -4.746   1.718  -4.116
  337   2HE   MET  47          2HE       MET  47  -5.945   0.393  -4.130
  338   3HE   MET  47          3HE       MET  47  -5.747   1.421  -5.579
  339    H    LYS  48           H        LYS  48 -10.524   5.066  -0.175
  340    HA   LYS  48           HA       LYS  48 -10.984   6.263  -2.936
  341   1HB   LYS  48          1HB       LYS  48 -12.809   5.943  -0.494
  342   2HB   LYS  48          2HB       LYS  48 -13.348   6.692  -1.965
  343   1HG   LYS  48          1HG       LYS  48 -12.972   4.450  -3.202
  344   2HG   LYS  48          2HG       LYS  48 -12.314   3.768  -1.748
  345   1HD   LYS  48          1HD       LYS  48 -14.313   3.385  -0.719
  346   2HD   LYS  48          2HD       LYS  48 -15.076   4.852  -1.235
  347   1HE   LYS  48          1HE       LYS  48 -15.066   3.517  -3.685
  348   2HE   LYS  48          2HE       LYS  48 -14.934   2.123  -2.628
  349   1HZ   LYS  48          1HZ       LYS  48 -17.014   3.906  -1.601
  350   2HZ   LYS  48          2HZ       LYS  48 -17.315   3.481  -3.147
  351   3HZ   LYS  48          3HZ       LYS  48 -17.172   2.326  -2.073
  352    H    ASP  49           H        ASP  49 -10.275   7.166   0.365
  353    HA   ASP  49           HA       ASP  49 -10.418  10.155  -0.059
  354   1HB   ASP  49          1HB       ASP  49 -10.681   9.190   2.231
  355   2HB   ASP  49          2HB       ASP  49  -9.059   8.513   2.174
  356    H    SER  50           H        SER  50  -7.682   7.841   0.213
  357    HA   SER  50           HA       SER  50  -5.615   9.876  -0.577
  358   1HB   SER  50          1HB       SER  50  -5.494   6.825  -0.113
  359   2HB   SER  50          2HB       SER  50  -4.087   7.765  -0.604
  360    HG   SER  50           HG       SER  50  -5.579   8.746   1.560
  361    H    ASP  51           H        ASP  51  -7.344   7.211  -2.186
  362    HA   ASP  51           HA       ASP  51  -5.943   7.500  -4.763
  363   1HB   ASP  51          1HB       ASP  51  -7.232   5.448  -3.633
  364   2HB   ASP  51          2HB       ASP  51  -8.646   6.088  -4.460
  365    H    LYS  52           H        LYS  52  -6.136   9.749  -5.341
  366    HA   LYS  52           HA       LYS  52  -8.838  11.125  -5.259
  367   1HB   LYS  52          1HB       LYS  52  -6.879  12.845  -6.402
  368   2HB   LYS  52          2HB       LYS  52  -7.593  12.972  -4.824
  369   1HG   LYS  52          1HG       LYS  52  -5.317  12.861  -4.180
  370   2HG   LYS  52          2HG       LYS  52  -5.660  11.160  -4.162
  371   1HD   LYS  52          1HD       LYS  52  -3.574  11.402  -5.328
  372   2HD   LYS  52          2HD       LYS  52  -4.718  10.827  -6.495
  373   1HE   LYS  52          1HE       LYS  52  -3.058  12.735  -7.249
  374   2HE   LYS  52          2HE       LYS  52  -4.752  12.946  -7.690
  375   1HZ   LYS  52          1HZ       LYS  52  -3.965  14.070  -5.032
  376   2HZ   LYS  52          2HZ       LYS  52  -3.374  14.875  -6.262
  377   3HZ   LYS  52          3HZ       LYS  52  -5.015  14.713  -6.103
  378    H    ASN  53           H        ASN  53  -6.270  10.866  -7.745
  379    HA   ASN  53           HA       ASN  53  -8.018  12.008  -9.780
  380   1HB   ASN  53          1HB       ASN  53  -5.897  11.510 -11.305
  381   2HB   ASN  53          2HB       ASN  53  -5.763  12.653  -9.998
  382   1HD2  ASN  53          1HD2      ASN  53  -4.022   9.080  -9.053
  383   2HD2  ASN  53          2HD2      ASN  53  -5.759   9.115  -9.598
  384    H    ASN  54           H        ASN  54  -8.367   8.988  -8.808
  385    HA   ASN  54           HA       ASN  54  -9.168   6.909  -9.696
  386   1HB   ASN  54          1HB       ASN  54  -9.898   8.860 -11.966
  387   2HB   ASN  54          2HB       ASN  54 -10.108   7.148 -12.209
  388   1HD2  ASN  54          1HD2      ASN  54 -13.315   8.446 -10.901
  389   2HD2  ASN  54          2HD2      ASN  54 -12.286   8.641 -12.390
  390    H    ASP  55           H        ASP  55  -6.452   7.264  -9.694
  391    HA   ASP  55           HA       ASP  55  -5.682   5.320 -11.935
  392   1HB   ASP  55          1HB       ASP  55  -4.172   7.408 -11.036
  393   2HB   ASP  55          2HB       ASP  55  -3.639   6.212  -9.863
  394    H    GLY  56           H        GLY  56  -7.187   3.710 -11.057
  395   1HA   GLY  56          1HA       GLY  56  -7.568   3.050  -8.209
  396   2HA   GLY  56          2HA       GLY  56  -8.034   2.014  -9.564
  397    H    ARG  57           H        ARG  57  -5.190   1.806 -10.546
  398    HA   ARG  57           HA       ARG  57  -4.011  -0.015  -8.433
  399   1HB   ARG  57          1HB       ARG  57  -3.480   0.423 -11.422
  400   2HB   ARG  57          2HB       ARG  57  -2.409  -0.571 -10.435
  401   1HG   ARG  57          1HG       ARG  57  -4.720  -1.802  -9.711
  402   2HG   ARG  57          2HG       ARG  57  -5.359  -1.056 -11.174
  403   1HD   ARG  57          1HD       ARG  57  -3.068  -2.142 -12.266
  404   2HD   ARG  57          2HD       ARG  57  -3.219  -3.211 -10.873
  405    HE   ARG  57           HE       ARG  57  -5.799  -2.786 -12.443
  406   1HH1  ARG  57          2HH1      ARG  57  -3.260  -4.992 -11.608
  407   2HH1  ARG  57          1HH1      ARG  57  -4.277  -6.436 -12.127
  408   1HH2  ARG  57          1HH2      ARG  57  -6.835  -4.363 -13.074
  409   2HH2  ARG  57          2HH2      ARG  57  -6.197  -6.079 -12.984
  410    H    ILE  58           H        ILE  58  -2.097   0.169  -7.453
  411    HA   ILE  58           HA       ILE  58  -1.042   3.015  -7.279
  412    HB   ILE  58           HB       ILE  58  -1.283   0.797  -5.189
  413   1HG1  ILE  58          1HG1      ILE  58  -2.601   3.590  -5.385
  414   2HG1  ILE  58          2HG1      ILE  58  -3.398   2.063  -5.641
  415   1HG2  ILE  58          1HG2      ILE  58   0.881   2.033  -4.731
  416   2HG2  ILE  58          2HG2      ILE  58   0.018   3.585  -4.748
  417   3HG2  ILE  58          3HG2      ILE  58  -0.306   2.381  -3.478
  418   1HD1  ILE  58          1HD1      ILE  58  -3.007   1.366  -3.234
  419   2HD1  ILE  58          2HD1      ILE  58  -2.309   2.974  -2.910
  420   3HD1  ILE  58          3HD1      ILE  58  -4.007   2.829  -3.413
  421    H    ASP  59           H        ASP  59   1.055   3.549  -7.296
  422    HA   ASP  59           HA       ASP  59   3.118   1.411  -8.012
  423   1HB   ASP  59          1HB       ASP  59   4.305   3.256  -9.230
  424   2HB   ASP  59          2HB       ASP  59   2.665   3.006  -9.812
  425    H    PHE  60           H        PHE  60   5.472   2.506  -7.634
  426    HA   PHE  60           HA       PHE  60   6.013   1.986  -4.821
  427   1HB   PHE  60          1HB       PHE  60   7.603   1.622  -6.780
  428   2HB   PHE  60          2HB       PHE  60   7.886   3.329  -6.867
  429    HD1  PHE  60           HD1      PHE  60   8.540   0.312  -4.815
  430    HD2  PHE  60           HD2      PHE  60   9.356   4.507  -5.246
  431    HE1  PHE  60           HE1      PHE  60  10.382   0.119  -3.204
  432    HE2  PHE  60           HE2      PHE  60  11.242   4.294  -3.667
  433    HZ   PHE  60           HZ       PHE  60  11.791   2.086  -2.684
  434    H    ASP  61           H        ASP  61   5.923   5.114  -6.521
  435    HA   ASP  61           HA       ASP  61   6.450   7.002  -4.362
  436   1HB   ASP  61          1HB       ASP  61   4.222   7.462  -6.509
  437   2HB   ASP  61          2HB       ASP  61   5.503   8.496  -5.920
  438    H    GLU  62           H        GLU  62   3.213   6.235  -5.508
  439    HA   GLU  62           HA       GLU  62   1.582   7.042  -3.264
  440   1HB   GLU  62          1HB       GLU  62   1.196   4.931  -5.396
  441   2HB   GLU  62          2HB       GLU  62   0.051   5.020  -4.093
  442   1HG   GLU  62          1HG       GLU  62  -0.685   7.287  -4.753
  443   2HG   GLU  62          2HG       GLU  62   0.684   7.511  -5.826
  444    H    PHE  63           H        PHE  63   3.648   4.162  -3.369
  445    HA   PHE  63           HA       PHE  63   2.487   2.713  -1.015
  446   1HB   PHE  63          1HB       PHE  63   4.065   1.747  -2.812
  447   2HB   PHE  63          2HB       PHE  63   5.362   2.655  -2.109
  448    HD1  PHE  63           HD1      PHE  63   2.980   1.118   0.340
  449    HD2  PHE  63           HD2      PHE  63   6.533   0.408  -1.981
  450    HE1  PHE  63           HE1      PHE  63   3.767  -0.520   2.012
  451    HE2  PHE  63           HE2      PHE  63   7.282  -1.231  -0.326
  452    HZ   PHE  63           HZ       PHE  63   5.970  -1.610   1.734
  453    H    LEU  64           H        LEU  64   5.357   4.821  -1.355
  454    HA   LEU  64           HA       LEU  64   5.992   5.212   1.413
  455   1HB   LEU  64          1HB       LEU  64   6.376   7.088  -0.973
  456   2HB   LEU  64          2HB       LEU  64   7.011   7.483   0.607
  457    HG   LEU  64           HG       LEU  64   7.765   4.801  -0.653
  458   1HD1  LEU  64          1HD1      LEU  64   8.996   7.542  -1.399
  459   2HD1  LEU  64          2HD1      LEU  64   9.736   5.960  -1.763
  460   3HD1  LEU  64          3HD1      LEU  64   8.172   6.375  -2.469
  461   1HD2  LEU  64          1HD2      LEU  64   9.265   6.758   1.240
  462   2HD2  LEU  64          2HD2      LEU  64   8.583   5.162   1.669
  463   3HD2  LEU  64          3HD2      LEU  64   9.960   5.263   0.564
  464    H    LYS  65           H        LYS  65   3.574   7.069  -0.439
  465    HA   LYS  65           HA       LYS  65   2.668   8.705   1.879
  466   1HB   LYS  65          1HB       LYS  65   1.404   9.712   0.265
  467   2HB   LYS  65          2HB       LYS  65   2.585   8.958  -0.788
  468   1HG   LYS  65          1HG       LYS  65   0.504   8.574  -1.890
  469   2HG   LYS  65          2HG       LYS  65   0.756   7.033  -1.048
  470   1HD   LYS  65          1HD       LYS  65  -1.579   8.057  -0.771
  471   2HD   LYS  65          2HD       LYS  65  -0.798   7.541   0.727
  472   1HE   LYS  65          1HE       LYS  65  -0.518   9.850   1.452
  473   2HE   LYS  65          2HE       LYS  65  -0.575  10.466  -0.209
  474   1HZ   LYS  65          1HZ       LYS  65  -3.050   9.450  -0.186
  475   2HZ   LYS  65          2HZ       LYS  65  -2.941   9.585   1.454
  476   3HZ   LYS  65          3HZ       LYS  65  -2.795  10.888   0.486
  477    H    MET  66           H        MET  66   1.325   5.727   0.351
  478    HA   MET  66           HA       MET  66  -0.756   5.095   2.150
  479   1HB   MET  66          1HB       MET  66  -0.646   3.657   0.323
  480   2HB   MET  66          2HB       MET  66   1.094   3.482   0.404
  481   1HG   MET  66          1HG       MET  66   1.051   1.633   1.803
  482   2HG   MET  66          2HG       MET  66  -0.364   2.186   2.719
  483   1HE   MET  66          1HE       MET  66   1.057   0.120  -0.166
  484   2HE   MET  66          2HE       MET  66  -0.290  -0.044  -1.331
  485   3HE   MET  66          3HE       MET  66   0.514   1.540  -1.112
  486    H    MET  67           H        MET  67   2.213   3.116   2.587
  487    HA   MET  67           HA       MET  67   2.212   2.574   5.325
  488   1HB   MET  67          1HB       MET  67   4.099   2.078   3.550
  489   2HB   MET  67          2HB       MET  67   4.784   3.624   4.011
  490   1HG   MET  67          1HG       MET  67   6.008   2.221   5.428
  491   2HG   MET  67          2HG       MET  67   4.691   2.675   6.526
  492   1HE   MET  67          1HE       MET  67   6.875   0.416   5.748
  493   2HE   MET  67          2HE       MET  67   6.198  -1.110   6.405
  494   3HE   MET  67          3HE       MET  67   6.219  -0.824   4.637
  495    H    GLU  68           H        GLU  68   3.620   5.706   4.095
  496    HA   GLU  68           HA       GLU  68   3.490   6.812   6.883
  497   1HB   GLU  68          1HB       GLU  68   6.092   5.910   5.664
  498   2HB   GLU  68          2HB       GLU  68   6.122   7.379   6.593
  499   1HG   GLU  68          1HG       GLU  68   5.013   5.957   8.559
  500   2HG   GLU  68          2HG       GLU  68   5.428   4.543   7.609
  501    H    GLY  69           H        GLY  69   2.067   7.792   4.890
  502   1HA   GLY  69          1HA       GLY  69   3.082  10.657   5.151
  503   2HA   GLY  69          2HA       GLY  69   2.310  10.240   3.617
  504    H    VAL  70           H        VAL  70   1.163   8.919   6.665
  505    HA   VAL  70           HA       VAL  70  -1.520  10.251   6.254
  506    HB   VAL  70           HB       VAL  70  -1.060   7.693   6.683
  507   1HG1  VAL  70          1HG1      VAL  70  -1.205   8.697   9.617
  508   2HG1  VAL  70          2HG1      VAL  70  -1.382   6.998   9.108
  509   3HG1  VAL  70          3HG1      VAL  70   0.157   7.828   8.868
  510   1HG2  VAL  70          1HG2      VAL  70  -3.377   8.677   6.457
  511   2HG2  VAL  70          2HG2      VAL  70  -3.351   7.397   7.660
  512   3HG2  VAL  70          3HG2      VAL  70  -3.391   9.108   8.181
  513    H    GLN  71           H        GLN  71  -1.736  12.223   7.130
  514    HA   GLN  71           HA       GLN  71  -0.685  13.014   9.791
  515   1HB   GLN  71          1HB       GLN  71  -2.279  14.285   7.585
  516   2HB   GLN  71          2HB       GLN  71  -2.538  14.964   9.190
  517   1HG   GLN  71          1HG       GLN  71   0.346  14.484   8.272
  518   2HG   GLN  71          2HG       GLN  71  -0.513  15.816   7.520
  519   1HE2  GLN  71          1HE2      GLN  71   0.983  17.605  10.220
  520   2HE2  GLN  71          2HE2      GLN  71   1.161  17.076   8.458
  521   1HN   NH2  72          1HN       NH2  72  -1.491  12.482  11.801
  522   2HN   NH2  72          2HN       NH2  72  -3.173  11.998  12.143
   
  No H/Q in entry =         522
  Start of MODEL   41
    1   1H    ACE   1          1HH3      ACE   1  23.804   8.658  -2.807
    2   2H    ACE   1          2HH3      ACE   1  23.257   9.276  -1.208
    3   3H    ACE   1          3HH3      ACE   1  23.820   7.590  -1.386
    4    H    LYS   2           H        LYS   2  21.497   9.483  -3.398
    5    HA   LYS   2           HA       LYS   2  19.055   9.527  -3.184
    6   1HB   LYS   2          1HB       LYS   2  19.219   6.566  -3.749
    7   2HB   LYS   2          2HB       LYS   2  18.210   7.766  -4.528
    8   1HG   LYS   2          1HG       LYS   2  21.268   7.928  -4.963
    9   2HG   LYS   2          2HG       LYS   2  20.439   6.568  -5.676
   10   1HD   LYS   2          1HD       LYS   2  20.499   8.242  -7.407
   11   2HD   LYS   2          2HD       LYS   2  18.826   8.265  -6.845
   12   1HE   LYS   2          1HE       LYS   2  18.954  10.403  -6.052
   13   2HE   LYS   2          2HE       LYS   2  20.488  10.143  -5.203
   14   1HZ   LYS   2          1HZ       LYS   2  21.380  10.173  -7.833
   15   2HZ   LYS   2          2HZ       LYS   2  20.019  11.028  -8.020
   16   3HZ   LYS   2          3HZ       LYS   2  21.102  11.615  -7.054
   17    H    SER   3           H        SER   3  17.444   7.123  -2.537
   18    HA   SER   3           HA       SER   3  17.627   6.702   0.361
   19   1HB   SER   3          1HB       SER   3  17.227   9.280   0.041
   20   2HB   SER   3          2HB       SER   3  15.560   8.874  -0.290
   21    HG   SER   3           HG       SER   3  17.081   8.196   2.048
   22    H    GLU   4           H        GLU   4  17.012   4.929  -1.707
   23    HA   GLU   4           HA       GLU   4  14.003   4.554  -1.653
   24   1HB   GLU   4          1HB       GLU   4  15.504   5.073  -4.213
   25   2HB   GLU   4          2HB       GLU   4  14.147   3.973  -4.172
   26   1HG   GLU   4          1HG       GLU   4  12.842   5.827  -4.647
   27   2HG   GLU   4          2HG       GLU   4  13.036   6.292  -2.961
   28    H    GLU   5           H        GLU   5  17.139   3.141  -2.300
   29    HA   GLU   5           HA       GLU   5  16.692   0.630  -3.232
   30   1HB   GLU   5          1HB       GLU   5  18.901   1.266  -2.842
   31   2HB   GLU   5          2HB       GLU   5  18.682   1.514  -1.136
   32   1HG   GLU   5          1HG       GLU   5  19.754  -0.519  -0.876
   33   2HG   GLU   5          2HG       GLU   5  18.236  -1.276  -1.323
   34    H    GLU   6           H        GLU   6  16.391   1.114   0.301
   35    HA   GLU   6           HA       GLU   6  15.555  -1.678   0.713
   36   1HB   GLU   6          1HB       GLU   6  16.952  -0.915   2.362
   37   2HB   GLU   6          2HB       GLU   6  16.208   0.649   2.496
   38   1HG   GLU   6          1HG       GLU   6  14.368  -0.240   3.907
   39   2HG   GLU   6          2HG       GLU   6  14.801  -1.903   3.557
   40    H    LEU   7           H        LEU   7  13.699   1.180   0.255
   41    HA   LEU   7           HA       LEU   7  11.059  -0.034   1.197
   42   1HB   LEU   7          1HB       LEU   7  11.722   2.673  -0.084
   43   2HB   LEU   7          2HB       LEU   7  10.095   2.162   0.289
   44    HG   LEU   7           HG       LEU   7  12.135   3.344   2.063
   45   1HD1  LEU   7          1HD1      LEU   7   9.882   4.315   1.653
   46   2HD1  LEU   7          2HD1      LEU   7   9.089   2.886   2.366
   47   3HD1  LEU   7          3HD1      LEU   7  10.093   3.960   3.374
   48   1HD2  LEU   7          1HD2      LEU   7  10.655   0.829   3.138
   49   2HD2  LEU   7          2HD2      LEU   7  12.421   1.058   3.016
   50   3HD2  LEU   7          3HD2      LEU   7  11.488   2.040   4.148
   51    H    ALA   8           H        ALA   8  12.774   0.600  -1.875
   52    HA   ALA   8           HA       ALA   8  10.770  -0.678  -3.576
   53   1HB   ALA   8          1HB       ALA   8  13.821  -0.304  -3.935
   54   2HB   ALA   8          2HB       ALA   8  12.688  -0.754  -5.225
   55   3HB   ALA   8          3HB       ALA   8  12.538   0.822  -4.438
   56    H    ASN   9           H        ASN   9  13.836  -2.137  -2.403
   57    HA   ASN   9           HA       ASN   9  13.447  -4.962  -2.816
   58   1HB   ASN   9          1HB       ASN   9  14.541  -3.487  -0.321
   59   2HB   ASN   9          2HB       ASN   9  14.649  -5.213  -0.537
   60   1HD2  ASN   9          1HD2      ASN   9  17.857  -4.318  -1.840
   61   2HD2  ASN   9          2HD2      ASN   9  16.949  -4.870  -0.362
   62    H    ALA  10           H        ALA  10  12.163  -3.179   0.040
   63    HA   ALA  10           HA       ALA  10  10.282  -5.160   0.968
   64   1HB   ALA  10          1HB       ALA  10  11.054  -3.142   2.227
   65   2HB   ALA  10          2HB       ALA  10  10.094  -2.075   1.170
   66   3HB   ALA  10          3HB       ALA  10   9.283  -3.249   2.230
   67    H    PHE  11           H        PHE  11   9.711  -2.628  -1.466
   68    HA   PHE  11           HA       PHE  11   6.831  -3.050  -1.789
   69   1HB   PHE  11          1HB       PHE  11   8.069  -0.945  -2.340
   70   2HB   PHE  11          2HB       PHE  11   8.868  -1.730  -3.661
   71    HD1  PHE  11           HD1      PHE  11   7.454  -2.492  -5.748
   72    HD2  PHE  11           HD2      PHE  11   5.839   0.012  -2.644
   73    HE1  PHE  11           HE1      PHE  11   5.679  -1.722  -7.274
   74    HE2  PHE  11           HE2      PHE  11   4.082   0.776  -4.187
   75    HZ   PHE  11           HZ       PHE  11   3.996  -0.082  -6.495
   76    H    ARG  12           H        ARG  12   9.551  -4.443  -3.617
   77    HA   ARG  12           HA       ARG  12   7.711  -6.213  -5.175
   78   1HB   ARG  12          1HB       ARG  12   9.894  -7.141  -6.140
   79   2HB   ARG  12          2HB       ARG  12   9.558  -5.440  -6.439
   80   1HG   ARG  12          1HG       ARG  12  11.512  -4.797  -5.423
   81   2HG   ARG  12          2HG       ARG  12  11.113  -5.666  -3.936
   82   1HD   ARG  12          1HD       ARG  12  13.251  -6.529  -4.880
   83   2HD   ARG  12          2HD       ARG  12  12.011  -7.813  -4.899
   84    HE   ARG  12           HE       ARG  12  11.564  -6.937  -7.414
   85   1HH1  ARG  12          2HH1      ARG  12  14.698  -6.933  -5.935
   86   2HH1  ARG  12          1HH1      ARG  12  15.550  -7.023  -7.552
   87   1HH2  ARG  12          1HH2      ARG  12  12.532  -7.062  -9.207
   88   2HH2  ARG  12          2HH2      ARG  12  14.352  -7.088  -9.322
   89    H    ILE  13           H        ILE  13   9.252  -6.519  -2.110
   90    HA   ILE  13           HA       ILE  13   8.958  -9.477  -1.883
   91    HB   ILE  13           HB       ILE  13   9.370  -7.254   0.167
   92   1HG1  ILE  13          1HG1      ILE  13  11.364  -8.225  -1.254
   93   2HG1  ILE  13          2HG1      ILE  13  11.575  -8.027   0.464
   94   1HG2  ILE  13          1HG2      ILE  13   7.901  -8.952   1.325
   95   2HG2  ILE  13          2HG2      ILE  13   9.006 -10.265   0.855
   96   3HG2  ILE  13          3HG2      ILE  13   9.519  -9.011   2.001
   97   1HD1  ILE  13          1HD1      ILE  13  11.141 -10.467   0.901
   98   2HD1  ILE  13          2HD1      ILE  13  10.981 -10.746  -0.851
   99   3HD1  ILE  13          3HD1      ILE  13  12.527 -10.191  -0.178
  100    H    PHE  14           H        PHE  14   6.861  -6.713  -1.390
  101    HA   PHE  14           HA       PHE  14   4.472  -8.084  -0.234
  102   1HB   PHE  14          1HB       PHE  14   4.776  -5.520  -1.931
  103   2HB   PHE  14          2HB       PHE  14   3.242  -6.084  -1.357
  104    HD1  PHE  14           HD1      PHE  14   6.339  -6.324   0.737
  105    HD2  PHE  14           HD2      PHE  14   2.693  -4.169   0.023
  106    HE1  PHE  14           HE1      PHE  14   6.565  -5.209   2.922
  107    HE2  PHE  14           HE2      PHE  14   2.936  -3.041   2.198
  108    HZ   PHE  14           HZ       PHE  14   4.875  -3.541   3.644
  109    H    ASP  15           H        ASP  15   4.827  -6.817  -3.561
  110    HA   ASP  15           HA       ASP  15   2.508  -8.140  -4.557
  111   1HB   ASP  15          1HB       ASP  15   3.461  -6.102  -5.551
  112   2HB   ASP  15          2HB       ASP  15   4.911  -6.946  -6.074
  113    H    LYS  16           H        LYS  16   1.988 -10.110  -5.363
  114    HA   LYS  16           HA       LYS  16   3.747 -12.353  -4.550
  115   1HB   LYS  16          1HB       LYS  16   1.555 -13.179  -6.354
  116   2HB   LYS  16          2HB       LYS  16   1.907 -13.693  -4.728
  117   1HG   LYS  16          1HG       LYS  16   0.748 -11.400  -3.989
  118   2HG   LYS  16          2HG       LYS  16   0.240 -11.269  -5.668
  119   1HD   LYS  16          1HD       LYS  16  -0.388 -13.959  -4.528
  120   2HD   LYS  16          2HD       LYS  16  -1.079 -12.646  -3.578
  121   1HE   LYS  16          1HE       LYS  16  -2.778 -13.356  -5.172
  122   2HE   LYS  16          2HE       LYS  16  -2.287 -11.696  -5.568
  123   1HZ   LYS  16          1HZ       LYS  16  -0.774 -13.994  -6.793
  124   2HZ   LYS  16          2HZ       LYS  16  -2.199 -13.585  -7.504
  125   3HZ   LYS  16          3HZ       LYS  16  -0.952 -12.504  -7.424
  126    H    ASN  17           H        ASN  17   2.990 -10.721  -7.570
  127    HA   ASN  17           HA       ASN  17   4.525 -12.752  -9.193
  128   1HB   ASN  17          1HB       ASN  17   2.077 -11.936  -9.625
  129   2HB   ASN  17          2HB       ASN  17   2.778 -10.500 -10.321
  130   1HD2  ASN  17          1HD2      ASN  17   3.764 -13.639 -12.635
  131   2HD2  ASN  17          2HD2      ASN  17   4.623 -13.310 -11.094
  132    H    ALA  18           H        ALA  18   4.833  -9.370  -8.325
  133    HA   ALA  18           HA       ALA  18   6.362  -7.613  -8.931
  134   1HB   ALA  18          1HB       ALA  18   8.008  -9.447  -8.391
  135   2HB   ALA  18          2HB       ALA  18   7.951  -9.989 -10.083
  136   3HB   ALA  18          3HB       ALA  18   8.610  -8.390  -9.698
  137    H    ASP  19           H        ASP  19   4.197  -8.014 -10.755
  138    HA   ASP  19           HA       ASP  19   5.237  -6.888 -13.363
  139   1HB   ASP  19          1HB       ASP  19   2.378  -6.452 -12.391
  140   2HB   ASP  19          2HB       ASP  19   2.972  -6.713 -14.025
  141    H    GLY  20           H        GLY  20   5.593  -5.783 -10.342
  142   1HA   GLY  20          1HA       GLY  20   6.922  -3.752 -10.004
  143   2HA   GLY  20          2HA       GLY  20   6.215  -3.067 -11.472
  144    H    TYR  21           H        TYR  21   3.505  -3.884 -10.016
  145    HA   TYR  21           HA       TYR  21   3.218  -1.232  -8.475
  146   1HB   TYR  21          1HB       TYR  21   0.960  -2.658 -10.004
  147   2HB   TYR  21          2HB       TYR  21   0.932  -1.061  -9.315
  148    HD1  TYR  21           HD1      TYR  21   4.014  -0.661 -10.487
  149    HD2  TYR  21           HD2      TYR  21   0.099  -1.385 -12.115
  150    HE1  TYR  21           HE1      TYR  21   4.714   0.325 -12.635
  151    HE2  TYR  21           HE2      TYR  21   0.840  -0.418 -14.269
  152    HH   TYR  21           HH       TYR  21   3.332   1.483 -14.666
  153    H    ILE  22           H        ILE  22   1.438  -1.139  -6.903
  154    HA   ILE  22           HA       ILE  22   0.526  -3.818  -5.708
  155    HB   ILE  22           HB       ILE  22   0.589  -1.057  -4.378
  156   1HG1  ILE  22          1HG1      ILE  22   2.332  -1.793  -2.927
  157   2HG1  ILE  22          2HG1      ILE  22   2.017  -3.485  -3.204
  158   1HG2  ILE  22          1HG2      ILE  22  -1.446  -2.350  -3.593
  159   2HG2  ILE  22          2HG2      ILE  22  -0.423  -3.734  -3.160
  160   3HG2  ILE  22          3HG2      ILE  22  -0.287  -2.188  -2.284
  161   1HD1  ILE  22          1HD1      ILE  22   2.948  -3.327  -5.570
  162   2HD1  ILE  22          2HD1      ILE  22   3.453  -1.656  -5.212
  163   3HD1  ILE  22          3HD1      ILE  22   4.131  -3.006  -4.278
  164    H    ASP  23           H        ASP  23  -1.646  -4.204  -5.390
  165    HA   ASP  23           HA       ASP  23  -3.632  -2.364  -6.822
  166   1HB   ASP  23          1HB       ASP  23  -4.641  -4.351  -7.819
  167   2HB   ASP  23          2HB       ASP  23  -2.905  -4.427  -8.089
  168    H    ILE  24           H        ILE  24  -5.990  -2.999  -6.325
  169    HA   ILE  24           HA       ILE  24  -6.402  -2.219  -3.445
  170    HB   ILE  24           HB       ILE  24  -7.762  -1.441  -5.613
  171   1HG1  ILE  24          1HG1      ILE  24  -9.197  -1.860  -2.902
  172   2HG1  ILE  24          2HG1      ILE  24  -8.104  -0.549  -3.253
  173   1HG2  ILE  24          1HG2      ILE  24  -8.719  -3.712  -6.217
  174   2HG2  ILE  24          2HG2      ILE  24  -9.524  -3.807  -4.639
  175   3HG2  ILE  24          3HG2      ILE  24 -10.011  -2.585  -5.841
  176   1HD1  ILE  24          1HD1      ILE  24  -9.619   0.283  -5.123
  177   2HD1  ILE  24          2HD1      ILE  24 -10.829  -0.924  -4.622
  178   3HD1  ILE  24          3HD1      ILE  24 -10.339   0.357  -3.493
  179    H    GLU  25           H        GLU  25  -6.585  -5.134  -5.348
  180    HA   GLU  25           HA       GLU  25  -8.164  -6.720  -3.348
  181   1HB   GLU  25          1HB       GLU  25  -6.723  -7.700  -5.854
  182   2HB   GLU  25          2HB       GLU  25  -7.783  -8.660  -4.868
  183   1HG   GLU  25          1HG       GLU  25  -9.577  -6.653  -5.496
  184   2HG   GLU  25          2HG       GLU  25  -8.504  -6.466  -6.871
  185    H    GLU  26           H        GLU  26  -4.763  -6.306  -4.091
  186    HA   GLU  26           HA       GLU  26  -3.806  -8.335  -2.104
  187   1HB   GLU  26          1HB       GLU  26  -2.369  -6.294  -3.834
  188   2HB   GLU  26          2HB       GLU  26  -1.515  -7.144  -2.582
  189   1HG   GLU  26          1HG       GLU  26  -2.099  -9.378  -3.724
  190   2HG   GLU  26          2HG       GLU  26  -2.923  -8.497  -4.997
  191    H    LEU  27           H        LEU  27  -4.598  -4.950  -1.964
  192    HA   LEU  27           HA       LEU  27  -2.872  -3.924   0.090
  193   1HB   LEU  27          1HB       LEU  27  -4.314  -2.524  -1.313
  194   2HB   LEU  27          2HB       LEU  27  -5.767  -3.174  -0.598
  195    HG   LEU  27           HG       LEU  27  -5.630  -1.878   1.348
  196   1HD1  LEU  27          1HD1      LEU  27  -3.420  -2.760   2.104
  197   2HD1  LEU  27          2HD1      LEU  27  -2.559  -1.639   1.013
  198   3HD1  LEU  27          3HD1      LEU  27  -3.543  -1.023   2.371
  199   1HD2  LEU  27          1HD2      LEU  27  -3.990  -0.135  -0.639
  200   2HD2  LEU  27          2HD2      LEU  27  -5.774  -0.253  -0.567
  201   3HD2  LEU  27          3HD2      LEU  27  -4.887   0.446   0.792
  202    H    GLY  28           H        GLY  28  -6.101  -5.356   0.653
  203   1HA   GLY  28          1HA       GLY  28  -6.296  -5.234   3.579
  204   2HA   GLY  28          2HA       GLY  28  -7.037  -6.482   2.570
  205    H    GLU  29           H        GLU  29  -5.033  -7.936   1.573
  206    HA   GLU  29           HA       GLU  29  -3.967  -9.423   3.884
  207   1HB   GLU  29          1HB       GLU  29  -2.968 -10.160   1.164
  208   2HB   GLU  29          2HB       GLU  29  -3.524 -11.169   2.465
  209   1HG   GLU  29          1HG       GLU  29  -5.275  -9.649   0.419
  210   2HG   GLU  29          2HG       GLU  29  -5.117 -11.387   0.597
  211    H    ILE  30           H        ILE  30  -2.595  -6.889   2.061
  212    HA   ILE  30           HA       ILE  30   0.307  -7.279   2.734
  213    HB   ILE  30           HB       ILE  30  -1.282  -4.781   1.955
  214   1HG1  ILE  30          1HG1      ILE  30   0.699  -6.553   0.402
  215   2HG1  ILE  30          2HG1      ILE  30  -0.939  -6.137  -0.025
  216   1HG2  ILE  30          1HG2      ILE  30   0.602  -4.060   3.469
  217   2HG2  ILE  30          2HG2      ILE  30   1.775  -4.950   2.464
  218   3HG2  ILE  30          3HG2      ILE  30   0.904  -3.531   1.817
  219   1HD1  ILE  30          1HD1      ILE  30   1.356  -4.065  -0.111
  220   2HD1  ILE  30          2HD1      ILE  30   0.611  -4.912  -1.484
  221   3HD1  ILE  30          3HD1      ILE  30  -0.354  -3.774  -0.523
  222    H    LEU  31           H        LEU  31  -2.247  -5.179   4.190
  223    HA   LEU  31           HA       LEU  31  -1.129  -4.775   6.800
  224   1HB   LEU  31          1HB       LEU  31  -4.058  -5.487   6.731
  225   2HB   LEU  31          2HB       LEU  31  -3.250  -4.188   7.574
  226    HG   LEU  31           HG       LEU  31  -4.284  -4.255   4.724
  227   1HD1  LEU  31          1HD1      LEU  31  -4.342  -2.161   7.001
  228   2HD1  LEU  31          2HD1      LEU  31  -5.085  -1.958   5.392
  229   3HD1  LEU  31          3HD1      LEU  31  -5.669  -3.231   6.469
  230   1HD2  LEU  31          1HD2      LEU  31  -1.980  -2.393   5.651
  231   2HD2  LEU  31          2HD2      LEU  31  -1.933  -3.561   4.302
  232   3HD2  LEU  31          3HD2      LEU  31  -2.972  -2.136   4.192
  233    H    ARG  32           H        ARG  32  -2.897  -7.667   5.737
  234    HA   ARG  32           HA       ARG  32  -1.985  -9.159   8.269
  235   1HB   ARG  32          1HB       ARG  32  -4.196  -9.957   8.470
  236   2HB   ARG  32          2HB       ARG  32  -4.402  -8.279   7.971
  237   1HG   ARG  32          1HG       ARG  32  -4.654  -9.246   5.517
  238   2HG   ARG  32          2HG       ARG  32  -4.708 -10.845   6.282
  239   1HD   ARG  32          1HD       ARG  32  -6.648  -8.508   6.930
  240   2HD   ARG  32          2HD       ARG  32  -7.039  -9.887   5.879
  241    HE   ARG  32           HE       ARG  32  -6.731  -9.992   8.890
  242   1HH1  ARG  32          2HH1      ARG  32  -7.030 -11.886   5.993
  243   2HH1  ARG  32          1HH1      ARG  32  -7.466 -13.391   6.933
  244   1HH2  ARG  32          1HH2      ARG  32  -7.257 -11.699   9.912
  245   2HH2  ARG  32          2HH2      ARG  32  -7.623 -13.257   9.039
  246    H    ALA  33           H        ALA  33  -0.583  -9.146   5.608
  247    HA   ALA  33           HA       ALA  33  -0.443 -11.493   4.191
  248   1HB   ALA  33          1HB       ALA  33   1.277  -9.694   4.128
  249   2HB   ALA  33          2HB       ALA  33   1.945 -10.231   5.694
  250   3HB   ALA  33          3HB       ALA  33   2.051 -11.282   4.265
  251    H    THR  34           H        THR  34  -0.321 -13.604   4.407
  252    HA   THR  34           HA       THR  34  -0.332 -14.849   7.135
  253    HB   THR  34           HB       THR  34  -0.864 -17.000   5.672
  254    HG1  THR  34           HG1      THR  34  -1.964 -15.156   3.912
  255   1HG2  THR  34          2HG2      THR  34  -2.512 -15.641   7.118
  256   2HG2  THR  34          3HG2      THR  34  -2.859 -14.625   5.695
  257   3HG2  THR  34          1HG2      THR  34  -3.272 -16.349   5.669
  258    H    GLY  35           H        GLY  35   0.842 -17.044   7.427
  259   1HA   GLY  35          1HA       GLY  35   2.965 -17.926   5.471
  260   2HA   GLY  35          2HA       GLY  35   3.629 -17.207   6.942
  261   1HN   NH2  36          1HN       NH2  36   0.660 -19.309   6.874
  262   2HN   NH2  36          2HN       NH2  36   1.372 -20.611   7.864
  263   1H    ACE  37          1HH3      ACE  37 -16.668  -4.089  13.333
  264   2H    ACE  37          2HH3      ACE  37 -15.489  -5.057  14.282
  265   3H    ACE  37          3HH3      ACE  37 -15.777  -3.345  14.688
  266    H    VAL  38           H        VAL  38 -14.371  -5.488  12.231
  267    HA   VAL  38           HA       VAL  38 -13.067  -3.087  10.813
  268    HB   VAL  38           HB       VAL  38 -11.533  -5.654  10.804
  269   1HG1  VAL  38          1HG1      VAL  38 -10.748  -2.693  11.319
  270   2HG1  VAL  38          2HG1      VAL  38  -9.586  -4.038  11.257
  271   3HG1  VAL  38          3HG1      VAL  38 -10.512  -3.604   9.816
  272   1HG2  VAL  38          1HG2      VAL  38 -12.269  -5.673  13.228
  273   2HG2  VAL  38          2HG2      VAL  38 -10.538  -5.296  13.100
  274   3HG2  VAL  38          3HG2      VAL  38 -11.712  -3.995  13.416
  275    H    THR  39           H        THR  39 -14.351  -2.986   8.979
  276    HA   THR  39           HA       THR  39 -15.316  -5.600   7.691
  277    HB   THR  39           HB       THR  39 -16.774  -3.018   7.085
  278    HG1  THR  39           HG1      THR  39 -17.605  -2.832   8.950
  279   1HG2  THR  39          2HG2      THR  39 -17.673  -5.945   7.576
  280   2HG2  THR  39          3HG2      THR  39 -18.739  -4.612   7.068
  281   3HG2  THR  39          1HG2      THR  39 -17.447  -5.176   5.988
  282    H    GLU  40           H        GLU  40 -15.937  -5.003   5.260
  283    HA   GLU  40           HA       GLU  40 -13.459  -4.247   3.775
  284   1HB   GLU  40          1HB       GLU  40 -15.406  -5.970   3.184
  285   2HB   GLU  40          2HB       GLU  40 -16.131  -4.603   2.394
  286   1HG   GLU  40          1HG       GLU  40 -14.951  -5.594   0.595
  287   2HG   GLU  40          2HG       GLU  40 -13.775  -4.391   1.091
  288    H    GLU  41           H        GLU  41 -16.580  -2.649   4.312
  289    HA   GLU  41           HA       GLU  41 -16.222  -0.528   2.413
  290   1HB   GLU  41          1HB       GLU  41 -18.100  -0.850   4.769
  291   2HB   GLU  41          2HB       GLU  41 -18.104   0.639   3.873
  292   1HG   GLU  41          1HG       GLU  41 -18.403  -1.147   1.749
  293   2HG   GLU  41          2HG       GLU  41 -19.126  -2.101   3.031
  294    H    ASP  42           H        ASP  42 -15.090  -0.597   5.709
  295    HA   ASP  42           HA       ASP  42 -14.099   2.217   5.894
  296   1HB   ASP  42          1HB       ASP  42 -13.408  -0.388   7.379
  297   2HB   ASP  42          2HB       ASP  42 -12.554   1.114   7.702
  298    H    ILE  43           H        ILE  43 -12.742  -0.801   4.601
  299    HA   ILE  43           HA       ILE  43  -9.933   0.174   4.281
  300    HB   ILE  43           HB       ILE  43 -11.413  -2.242   3.152
  301   1HG1  ILE  43          1HG1      ILE  43  -8.789  -2.507   4.671
  302   2HG1  ILE  43          2HG1      ILE  43 -10.164  -1.984   5.605
  303   1HG2  ILE  43          1HG2      ILE  43  -9.837  -1.527   1.313
  304   2HG2  ILE  43          2HG2      ILE  43  -8.484  -1.464   2.459
  305   3HG2  ILE  43          3HG2      ILE  43  -9.256  -3.015   2.046
  306   1HD1  ILE  43          1HD1      ILE  43 -11.512  -4.007   4.902
  307   2HD1  ILE  43          2HD1      ILE  43 -10.075  -4.647   4.062
  308   3HD1  ILE  43          3HD1      ILE  43 -10.041  -4.398   5.821
  309    H    GLU  44           H        GLU  44 -12.682  -0.156   2.015
  310    HA   GLU  44           HA       GLU  44 -11.241   1.136  -0.275
  311   1HB   GLU  44          1HB       GLU  44 -13.945   1.133  -0.964
  312   2HB   GLU  44          2HB       GLU  44 -12.718   0.011  -1.466
  313   1HG   GLU  44          1HG       GLU  44 -13.367  -1.614   0.331
  314   2HG   GLU  44          2HG       GLU  44 -14.463  -0.453   1.060
  315    H    ASP  45           H        ASP  45 -13.396   2.230   2.249
  316    HA   ASP  45           HA       ASP  45 -13.698   5.076   1.407
  317   1HB   ASP  45          1HB       ASP  45 -13.989   3.523   4.025
  318   2HB   ASP  45          2HB       ASP  45 -13.930   5.279   4.081
  319    H    LEU  46           H        LEU  46 -11.205   3.296   3.203
  320    HA   LEU  46           HA       LEU  46  -9.391   5.632   3.598
  321   1HB   LEU  46          1HB       LEU  46  -9.449   3.570   5.015
  322   2HB   LEU  46          2HB       LEU  46  -8.811   2.611   3.700
  323    HG   LEU  46           HG       LEU  46  -6.609   3.644   3.817
  324   1HD1  LEU  46          1HD1      LEU  46  -8.013   5.846   5.410
  325   2HD1  LEU  46          2HD1      LEU  46  -6.275   5.516   5.662
  326   3HD1  LEU  46          3HD1      LEU  46  -6.857   5.958   4.050
  327   1HD2  LEU  46          1HD2      LEU  46  -7.752   3.075   6.615
  328   2HD2  LEU  46          2HD2      LEU  46  -6.736   1.998   5.613
  329   3HD2  LEU  46          3HD2      LEU  46  -6.048   3.465   6.371
  330    H    MET  47           H        MET  47  -8.856   2.849   1.388
  331    HA   MET  47           HA       MET  47  -6.863   3.971  -0.282
  332   1HB   MET  47          1HB       MET  47  -8.248   1.618  -0.308
  333   2HB   MET  47          2HB       MET  47  -9.023   2.381  -1.685
  334   1HG   MET  47          1HG       MET  47  -5.957   2.326  -1.595
  335   2HG   MET  47          2HG       MET  47  -6.874   0.899  -2.113
  336   1HE   MET  47          1HE       MET  47  -4.759   3.023  -3.541
  337   2HE   MET  47          2HE       MET  47  -5.216   1.484  -4.326
  338   3HE   MET  47          3HE       MET  47  -5.369   3.017  -5.232
  339    H    LYS  48           H        LYS  48 -10.356   4.604  -0.515
  340    HA   LYS  48           HA       LYS  48 -10.060   6.508  -2.816
  341   1HB   LYS  48          1HB       LYS  48 -12.441   5.741  -1.041
  342   2HB   LYS  48          2HB       LYS  48 -12.610   6.767  -2.433
  343   1HG   LYS  48          1HG       LYS  48 -11.462   3.878  -2.646
  344   2HG   LYS  48          2HG       LYS  48 -13.172   4.161  -2.576
  345   1HD   LYS  48          1HD       LYS  48 -11.846   5.856  -4.652
  346   2HD   LYS  48          2HD       LYS  48 -11.653   4.168  -4.987
  347   1HE   LYS  48          1HE       LYS  48 -14.316   3.993  -4.689
  348   2HE   LYS  48          2HE       LYS  48 -14.304   5.748  -4.664
  349   1HZ   LYS  48          1HZ       LYS  48 -12.996   5.624  -6.924
  350   2HZ   LYS  48          2HZ       LYS  48 -13.478   4.043  -7.015
  351   3HZ   LYS  48          3HZ       LYS  48 -14.541   5.280  -6.962
  352    H    ASP  49           H        ASP  49  -9.724   6.831   0.583
  353    HA   ASP  49           HA       ASP  49  -9.960   9.841   0.645
  354   1HB   ASP  49          1HB       ASP  49 -10.037   8.339   2.731
  355   2HB   ASP  49          2HB       ASP  49  -8.316   8.040   2.535
  356    H    SER  50           H        SER  50  -7.292   7.517   0.136
  357    HA   SER  50           HA       SER  50  -5.327   9.810   0.058
  358   1HB   SER  50          1HB       SER  50  -5.017   6.765   0.441
  359   2HB   SER  50          2HB       SER  50  -3.621   7.828   0.296
  360    HG   SER  50           HG       SER  50  -4.301   7.434   2.462
  361    H    ASP  51           H        ASP  51  -6.172   7.033  -2.094
  362    HA   ASP  51           HA       ASP  51  -4.607   7.652  -4.363
  363   1HB   ASP  51          1HB       ASP  51  -6.362   5.767  -3.973
  364   2HB   ASP  51          2HB       ASP  51  -7.585   6.885  -4.562
  365    H    LYS  52           H        LYS  52  -4.221   9.355  -5.520
  366    HA   LYS  52           HA       LYS  52  -5.884  11.847  -5.755
  367   1HB   LYS  52          1HB       LYS  52  -3.411  10.694  -7.097
  368   2HB   LYS  52          2HB       LYS  52  -4.191  12.035  -7.878
  369   1HG   LYS  52          1HG       LYS  52  -3.049  13.493  -6.455
  370   2HG   LYS  52          2HG       LYS  52  -3.891  12.819  -5.096
  371   1HD   LYS  52          1HD       LYS  52  -1.974  12.043  -4.252
  372   2HD   LYS  52          2HD       LYS  52  -1.910  10.820  -5.478
  373   1HE   LYS  52          1HE       LYS  52  -0.705  13.666  -5.928
  374   2HE   LYS  52          2HE       LYS  52   0.192  12.400  -5.091
  375   1HZ   LYS  52          1HZ       LYS  52  -0.976  11.507  -7.705
  376   2HZ   LYS  52          2HZ       LYS  52   0.295  12.564  -7.812
  377   3HZ   LYS  52          3HZ       LYS  52   0.414  11.128  -7.046
  378    H    ASN  53           H        ASN  53  -4.914  10.296  -8.706
  379    HA   ASN  53           HA       ASN  53  -7.319  11.112 -10.025
  380   1HB   ASN  53          1HB       ASN  53  -6.394   9.916 -12.048
  381   2HB   ASN  53          2HB       ASN  53  -5.186  10.864 -11.226
  382   1HD2  ASN  53          1HD2      ASN  53  -4.711   6.816 -11.335
  383   2HD2  ASN  53          2HD2      ASN  53  -6.341   7.545 -11.690
  384    H    ASN  54           H        ASN  54  -6.957   8.226  -8.226
  385    HA   ASN  54           HA       ASN  54  -8.653   6.682  -7.498
  386   1HB   ASN  54          1HB       ASN  54 -10.273   9.084  -8.551
  387   2HB   ASN  54          2HB       ASN  54 -11.103   7.674  -7.954
  388   1HD2  ASN  54          1HD2      ASN  54  -9.745   8.359  -4.553
  389   2HD2  ASN  54          2HD2      ASN  54  -9.745   6.950  -5.705
  390    H    ASP  55           H        ASP  55  -7.507   6.055  -9.986
  391    HA   ASP  55           HA       ASP  55  -9.733   4.424 -11.306
  392   1HB   ASP  55          1HB       ASP  55  -7.870   5.614 -12.696
  393   2HB   ASP  55          2HB       ASP  55  -6.753   4.402 -12.085
  394    H    GLY  56           H        GLY  56  -7.322   4.245  -8.862
  395   1HA   GLY  56          1HA       GLY  56  -7.336   2.612  -7.043
  396   2HA   GLY  56          2HA       GLY  56  -8.335   1.549  -8.042
  397    H    ARG  57           H        ARG  57  -5.213   2.612  -9.341
  398    HA   ARG  57           HA       ARG  57  -3.831   0.176  -8.085
  399   1HB   ARG  57          1HB       ARG  57  -4.346   0.441 -10.701
  400   2HB   ARG  57          2HB       ARG  57  -2.909   1.463 -10.694
  401   1HG   ARG  57          1HG       ARG  57  -1.670  -0.541  -9.510
  402   2HG   ARG  57          2HG       ARG  57  -3.095  -1.516  -9.862
  403   1HD   ARG  57          1HD       ARG  57  -1.509   0.001 -12.057
  404   2HD   ARG  57          2HD       ARG  57  -1.147  -1.652 -11.568
  405    HE   ARG  57           HE       ARG  57  -3.810  -0.826 -12.845
  406   1HH1  ARG  57          2HH1      ARG  57  -1.778  -3.418 -11.772
  407   2HH1  ARG  57          1HH1      ARG  57  -2.652  -4.618 -12.862
  408   1HH2  ARG  57          1HH2      ARG  57  -4.897  -2.201 -13.790
  409   2HH2  ARG  57          2HH2      ARG  57  -4.420  -3.970 -13.869
  410    H    ILE  58           H        ILE  58  -2.131   0.446  -6.849
  411    HA   ILE  58           HA       ILE  58  -0.973   3.223  -6.421
  412    HB   ILE  58           HB       ILE  58  -1.012   0.733  -4.648
  413   1HG1  ILE  58          1HG1      ILE  58  -2.247   3.546  -4.276
  414   2HG1  ILE  58          2HG1      ILE  58  -3.122   2.082  -4.628
  415   1HG2  ILE  58          1HG2      ILE  58   1.235   1.856  -4.315
  416   2HG2  ILE  58          2HG2      ILE  58   0.433   3.407  -3.999
  417   3HG2  ILE  58          3HG2      ILE  58   0.234   2.040  -2.879
  418   1HD1  ILE  58          1HD1      ILE  58  -2.440   1.047  -2.416
  419   2HD1  ILE  58          2HD1      ILE  58  -1.652   2.583  -1.972
  420   3HD1  ILE  58          3HD1      ILE  58  -3.406   2.535  -2.255
  421    H    ASP  59           H        ASP  59   0.849   3.716  -7.431
  422    HA   ASP  59           HA       ASP  59   3.047   1.655  -7.828
  423   1HB   ASP  59          1HB       ASP  59   4.019   3.301  -9.415
  424   2HB   ASP  59          2HB       ASP  59   2.330   2.992  -9.788
  425    H    PHE  60           H        PHE  60   5.373   2.923  -7.714
  426    HA   PHE  60           HA       PHE  60   6.011   2.400  -4.893
  427   1HB   PHE  60          1HB       PHE  60   7.527   2.177  -6.997
  428   2HB   PHE  60          2HB       PHE  60   7.794   3.887  -6.909
  429    HD1  PHE  60           HD1      PHE  60   7.732   3.490  -3.543
  430    HD2  PHE  60           HD2      PHE  60  10.050   1.994  -6.836
  431    HE1  PHE  60           HE1      PHE  60   9.705   3.281  -2.071
  432    HE2  PHE  60           HE2      PHE  60  12.001   1.765  -5.360
  433    HZ   PHE  60           HZ       PHE  60  11.842   2.407  -2.975
  434    H    ASP  61           H        ASP  61   5.243   5.397  -6.529
  435    HA   ASP  61           HA       ASP  61   6.191   7.438  -4.603
  436   1HB   ASP  61          1HB       ASP  61   5.411   8.401  -6.628
  437   2HB   ASP  61          2HB       ASP  61   4.135   7.218  -6.849
  438    H    GLU  62           H        GLU  62   2.846   6.774  -5.178
  439    HA   GLU  62           HA       GLU  62   1.386   7.142  -2.781
  440   1HB   GLU  62          1HB       GLU  62   0.972   4.631  -4.447
  441   2HB   GLU  62          2HB       GLU  62  -0.206   5.484  -3.495
  442   1HG   GLU  62          1HG       GLU  62   1.089   6.937  -5.884
  443   2HG   GLU  62          2HG       GLU  62  -0.158   5.740  -6.182
  444    H    PHE  63           H        PHE  63   3.723   4.531  -3.255
  445    HA   PHE  63           HA       PHE  63   2.959   2.889  -0.846
  446   1HB   PHE  63          1HB       PHE  63   4.305   2.093  -2.908
  447   2HB   PHE  63          2HB       PHE  63   5.660   2.990  -2.312
  448    HD1  PHE  63           HD1      PHE  63   3.292   0.565  -0.516
  449    HD2  PHE  63           HD2      PHE  63   7.331   1.486  -1.679
  450    HE1  PHE  63           HE1      PHE  63   4.147  -1.162   1.023
  451    HE2  PHE  63           HE2      PHE  63   8.152  -0.283  -0.207
  452    HZ   PHE  63           HZ       PHE  63   6.584  -1.528   1.244
  453    H    LEU  64           H        LEU  64   5.731   5.062  -1.472
  454    HA   LEU  64           HA       LEU  64   6.679   5.514   1.187
  455   1HB   LEU  64          1HB       LEU  64   6.611   7.397  -1.222
  456   2HB   LEU  64          2HB       LEU  64   7.394   7.868   0.266
  457    HG   LEU  64           HG       LEU  64   8.203   5.257  -1.121
  458   1HD1  LEU  64          1HD1      LEU  64   9.182   8.105  -1.844
  459   2HD1  LEU  64          2HD1      LEU  64   9.987   6.593  -2.343
  460   3HD1  LEU  64          3HD1      LEU  64   8.343   6.928  -2.891
  461   1HD2  LEU  64          1HD2      LEU  64   9.736   7.235   0.723
  462   2HD2  LEU  64          2HD2      LEU  64   9.201   5.580   1.135
  463   3HD2  LEU  64          3HD2      LEU  64  10.464   5.820  -0.079
  464    H    LYS  65           H        LYS  65   3.892   7.117  -0.307
  465    HA   LYS  65           HA       LYS  65   3.340   8.961   1.958
  466   1HB   LYS  65          1HB       LYS  65   2.434   9.845   0.112
  467   2HB   LYS  65          2HB       LYS  65   2.484   8.338  -0.783
  468   1HG   LYS  65          1HG       LYS  65   0.178   8.167  -0.649
  469   2HG   LYS  65          2HG       LYS  65   0.212   8.319   1.118
  470   1HD   LYS  65          1HD       LYS  65  -0.382  10.493   1.089
  471   2HD   LYS  65          2HD       LYS  65   0.901  10.945  -0.038
  472   1HE   LYS  65          1HE       LYS  65  -1.698   9.635  -1.083
  473   2HE   LYS  65          2HE       LYS  65  -1.736  11.326  -0.549
  474   1HZ   LYS  65          1HZ       LYS  65   0.477  10.491  -2.454
  475   2HZ   LYS  65          2HZ       LYS  65  -1.006  10.817  -3.047
  476   3HZ   LYS  65          3HZ       LYS  65  -0.208  11.980  -2.275
  477    H    MET  66           H        MET  66   1.613   5.990   0.888
  478    HA   MET  66           HA       MET  66  -0.017   5.720   3.279
  479   1HB   MET  66          1HB       MET  66  -0.838   4.686   1.308
  480   2HB   MET  66          2HB       MET  66   0.689   3.916   0.934
  481   1HG   MET  66          1HG       MET  66  -0.474   2.894   3.503
  482   2HG   MET  66          2HG       MET  66  -1.481   2.577   2.077
  483   1HE   MET  66          1HE       MET  66  -0.110   1.947  -0.346
  484   2HE   MET  66          2HE       MET  66   0.420   0.249  -0.155
  485   3HE   MET  66          3HE       MET  66  -1.169   0.766   0.486
  486    H    MET  67           H        MET  67   3.303   4.816   2.918
  487    HA   MET  67           HA       MET  67   3.263   3.320   5.584
  488   1HB   MET  67          1HB       MET  67   4.657   2.353   3.753
  489   2HB   MET  67          2HB       MET  67   5.516   3.867   3.555
  490   1HG   MET  67          1HG       MET  67   7.107   2.827   4.869
  491   2HG   MET  67          2HG       MET  67   6.134   3.486   6.199
  492   1HE   MET  67          1HE       MET  67   8.146   1.195   5.505
  493   2HE   MET  67          2HE       MET  67   7.699  -0.113   6.643
  494   3HE   MET  67          3HE       MET  67   7.424  -0.327   4.888
  495    H    GLU  68           H        GLU  68   4.193   6.481   4.248
  496    HA   GLU  68           HA       GLU  68   5.339   7.417   6.841
  497   1HB   GLU  68          1HB       GLU  68   7.092   5.940   5.415
  498   2HB   GLU  68          2HB       GLU  68   7.426   7.470   4.663
  499   1HG   GLU  68          1HG       GLU  68   8.415   8.398   6.639
  500   2HG   GLU  68          2HG       GLU  68   7.490   7.385   7.732
  501    H    GLY  69           H        GLY  69   3.333   8.238   4.808
  502   1HA   GLY  69          1HA       GLY  69   4.198  11.085   4.052
  503   2HA   GLY  69          2HA       GLY  69   2.671  10.335   3.572
  504    H    VAL  70           H        VAL  70   1.000  11.245   4.452
  505    HA   VAL  70           HA       VAL  70   1.359  12.909   7.010
  506    HB   VAL  70           HB       VAL  70   1.018  13.965   4.590
  507   1HG1  VAL  70          1HG1      VAL  70  -1.928  13.497   5.448
  508   2HG1  VAL  70          2HG1      VAL  70  -1.404  14.610   4.158
  509   3HG1  VAL  70          3HG1      VAL  70  -1.149  12.873   3.974
  510   1HG2  VAL  70          1HG2      VAL  70   1.199  15.317   6.718
  511   2HG2  VAL  70          2HG2      VAL  70   0.010  16.013   5.628
  512   3HG2  VAL  70          3HG2      VAL  70  -0.530  15.074   7.051
  513    H    GLN  71           H        GLN  71  -0.490  13.060   8.479
  514    HA   GLN  71           HA       GLN  71  -2.640  11.005   8.264
  515   1HB   GLN  71          1HB       GLN  71  -1.372  12.033  10.369
  516   2HB   GLN  71          2HB       GLN  71  -2.648  13.248  10.322
  517   1HG   GLN  71          1HG       GLN  71  -4.216  10.980  10.141
  518   2HG   GLN  71          2HG       GLN  71  -2.844  10.249  10.954
  519   1HE2  GLN  71          1HE2      GLN  71  -4.015  11.394  14.059
  520   2HE2  GLN  71          2HE2      GLN  71  -2.967  10.243  13.061
  521   1HN   NH2  72          1HN       NH2  72  -4.892  11.263   7.834
  522   2HN   NH2  72          2HN       NH2  72  -5.556  12.733   7.071
   
  No H/Q in entry =         522
  Start of MODEL   42
    1   1H    ACE   1          1HH3      ACE   1  18.435   9.102  -2.628
    2   2H    ACE   1          2HH3      ACE   1  20.020   9.951  -2.539
    3   3H    ACE   1          3HH3      ACE   1  19.371   9.400  -4.110
    4    H    LYS   2           H        LYS   2  20.003   7.932  -0.912
    5    HA   LYS   2           HA       LYS   2  20.071   5.233  -2.037
    6   1HB   LYS   2          1HB       LYS   2  22.470   6.281  -2.502
    7   2HB   LYS   2          2HB       LYS   2  22.814   5.905  -0.828
    8   1HG   LYS   2          1HG       LYS   2  23.548   3.864  -1.793
    9   2HG   LYS   2          2HG       LYS   2  21.867   3.426  -1.634
   10   1HD   LYS   2          1HD       LYS   2  21.418   3.680  -3.965
   11   2HD   LYS   2          2HD       LYS   2  22.699   4.868  -4.213
   12   1HE   LYS   2          1HE       LYS   2  23.535   2.075  -3.295
   13   2HE   LYS   2          2HE       LYS   2  23.021   2.240  -4.984
   14   1HZ   LYS   2          1HZ       LYS   2  24.639   4.431  -4.748
   15   2HZ   LYS   2          2HZ       LYS   2  25.391   3.589  -3.663
   16   3HZ   LYS   2          3HZ       LYS   2  25.288   3.028  -5.225
   17    H    SER   3           H        SER   3  18.823   6.863   0.124
   18    HA   SER   3           HA       SER   3  19.198   4.849   2.388
   19   1HB   SER   3          1HB       SER   3  19.320   7.412   2.664
   20   2HB   SER   3          2HB       SER   3  17.589   7.472   2.436
   21    HG   SER   3           HG       SER   3  18.968   5.891   4.399
   22    H    GLU   4           H        GLU   4  16.949   5.678  -0.114
   23    HA   GLU   4           HA       GLU   4  14.462   4.457   0.996
   24   1HB   GLU   4          1HB       GLU   4  14.171   4.293  -1.766
   25   2HB   GLU   4          2HB       GLU   4  13.494   5.412  -0.608
   26   1HG   GLU   4          1HG       GLU   4  14.885   7.211  -1.318
   27   2HG   GLU   4          2HG       GLU   4  16.220   6.162  -1.783
   28    H    GLU   5           H        GLU   5  17.392   3.079  -0.145
   29    HA   GLU   5           HA       GLU   5  17.019   0.514  -0.853
   30   1HB   GLU   5          1HB       GLU   5  19.161   1.320  -0.093
   31   2HB   GLU   5          2HB       GLU   5  18.663   1.344   1.571
   32   1HG   GLU   5          1HG       GLU   5  18.439  -1.414   0.394
   33   2HG   GLU   5          2HG       GLU   5  20.063  -0.766   0.254
   34    H    GLU   6           H        GLU   6  16.462   1.133   2.627
   35    HA   GLU   6           HA       GLU   6  15.554  -1.595   3.099
   36   1HB   GLU   6          1HB       GLU   6  16.701  -0.689   4.865
   37   2HB   GLU   6          2HB       GLU   6  15.906   0.855   4.802
   38   1HG   GLU   6          1HG       GLU   6  13.965   0.044   6.064
   39   2HG   GLU   6          2HG       GLU   6  14.365  -1.641   5.787
   40    H    LEU   7           H        LEU   7  13.658   1.335   2.638
   41    HA   LEU   7           HA       LEU   7  10.964   0.066   3.087
   42   1HB   LEU   7          1HB       LEU   7  11.770   2.679   1.697
   43   2HB   LEU   7          2HB       LEU   7  10.113   2.178   1.934
   44    HG   LEU   7           HG       LEU   7  10.873   2.067   4.549
   45   1HD1  LEU   7          1HD1      LEU   7  13.249   2.655   4.107
   46   2HD1  LEU   7          2HD1      LEU   7  12.770   4.186   3.330
   47   3HD1  LEU   7          3HD1      LEU   7  12.472   3.922   5.068
   48   1HD2  LEU   7          1HD2      LEU   7  10.134   4.681   3.035
   49   2HD2  LEU   7          2HD2      LEU   7   8.999   3.505   3.752
   50   3HD2  LEU   7          3HD2      LEU   7  10.049   4.459   4.803
   51    H    ALA   8           H        ALA   8  13.148   0.390   0.335
   52    HA   ALA   8           HA       ALA   8  11.306  -0.722  -1.664
   53   1HB   ALA   8          1HB       ALA   8  14.393  -0.502  -1.602
   54   2HB   ALA   8          2HB       ALA   8  13.424  -0.874  -3.042
   55   3HB   ALA   8          3HB       ALA   8  13.247   0.696  -2.249
   56    H    ASN   9           H        ASN   9  14.123  -2.451  -0.136
   57    HA   ASN   9           HA       ASN   9  13.259  -5.138  -0.622
   58   1HB   ASN   9          1HB       ASN   9  14.676  -4.057   1.914
   59   2HB   ASN   9          2HB       ASN   9  14.580  -5.741   1.479
   60   1HD2  ASN   9          1HD2      ASN   9  17.459  -3.491  -0.186
   61   2HD2  ASN   9          2HD2      ASN   9  16.282  -2.819   1.029
   62    H    ALA  10           H        ALA  10  12.154  -3.044   2.027
   63    HA   ALA  10           HA       ALA  10  10.158  -4.807   3.299
   64   1HB   ALA  10          1HB       ALA  10  11.012  -2.658   4.255
   65   2HB   ALA  10          2HB       ALA  10  10.201  -1.727   2.968
   66   3HB   ALA  10          3HB       ALA  10   9.240  -2.645   4.150
   67    H    PHE  11           H        PHE  11   9.732  -2.436   0.634
   68    HA   PHE  11           HA       PHE  11   6.867  -2.918   0.291
   69   1HB   PHE  11          1HB       PHE  11   8.065  -0.799  -0.285
   70   2HB   PHE  11          2HB       PHE  11   8.896  -1.588  -1.583
   71    HD1  PHE  11           HD1      PHE  11   7.672  -2.314  -3.685
   72    HD2  PHE  11           HD2      PHE  11   5.714   0.028  -0.652
   73    HE1  PHE  11           HE1      PHE  11   5.959  -1.623  -5.310
   74    HE2  PHE  11           HE2      PHE  11   3.987   0.676  -2.285
   75    HZ   PHE  11           HZ       PHE  11   4.127  -0.125  -4.623
   76    H    ARG  12           H        ARG  12   9.624  -4.279  -1.515
   77    HA   ARG  12           HA       ARG  12   8.011  -6.110  -3.160
   78   1HB   ARG  12          1HB       ARG  12  10.009  -7.023  -3.920
   79   2HB   ARG  12          2HB       ARG  12  10.512  -5.403  -3.450
   80   1HG   ARG  12          1HG       ARG  12  11.696  -6.177  -1.510
   81   2HG   ARG  12          2HG       ARG  12  10.763  -7.674  -1.389
   82   1HD   ARG  12          1HD       ARG  12  11.892  -8.631  -3.393
   83   2HD   ARG  12          2HD       ARG  12  12.726  -7.085  -3.709
   84    HE   ARG  12           HE       ARG  12  13.503  -7.598  -1.052
   85   1HH1  ARG  12          2HH1      ARG  12  13.569  -9.674  -3.826
   86   2HH1  ARG  12          1HH1      ARG  12  14.972 -10.646  -3.167
   87   1HH2  ARG  12          1HH2      ARG  12  15.081  -8.682  -0.342
   88   2HH2  ARG  12          2HH2      ARG  12  15.777 -10.093  -1.265
   89    H    ILE  13           H        ILE  13   9.245  -6.413   0.154
   90    HA   ILE  13           HA       ILE  13   9.037  -9.386   0.355
   91    HB   ILE  13           HB       ILE  13   9.516  -7.165   2.386
   92   1HG1  ILE  13          1HG1      ILE  13  11.404  -8.341   0.843
   93   2HG1  ILE  13          2HG1      ILE  13  11.730  -7.825   2.475
   94   1HG2  ILE  13          1HG2      ILE  13   8.075  -8.836   3.615
   95   2HG2  ILE  13          2HG2      ILE  13   9.150 -10.164   3.120
   96   3HG2  ILE  13          3HG2      ILE  13   9.715  -8.903   4.233
   97   1HD1  ILE  13          1HD1      ILE  13  11.373 -10.144   3.386
   98   2HD1  ILE  13          2HD1      ILE  13  11.098 -10.745   1.732
   99   3HD1  ILE  13          3HD1      ILE  13  12.676 -10.066   2.178
  100    H    PHE  14           H        PHE  14   6.906  -6.670   1.006
  101    HA   PHE  14           HA       PHE  14   4.651  -8.081   2.381
  102   1HB   PHE  14          1HB       PHE  14   4.794  -5.513   0.671
  103   2HB   PHE  14          2HB       PHE  14   3.301  -6.111   1.318
  104    HD1  PHE  14           HD1      PHE  14   5.886  -6.852   3.689
  105    HD2  PHE  14           HD2      PHE  14   3.390  -3.648   2.295
  106    HE1  PHE  14           HE1      PHE  14   6.187  -5.679   5.834
  107    HE2  PHE  14           HE2      PHE  14   3.712  -2.469   4.432
  108    HZ   PHE  14           HZ       PHE  14   5.126  -3.465   6.197
  109    H    ASP  15           H        ASP  15   5.035  -7.004  -1.019
  110    HA   ASP  15           HA       ASP  15   2.492  -8.200  -1.793
  111   1HB   ASP  15          1HB       ASP  15   3.410  -6.065  -2.696
  112   2HB   ASP  15          2HB       ASP  15   4.711  -6.918  -3.514
  113    H    LYS  16           H        LYS  16   1.926  -9.848  -3.221
  114    HA   LYS  16           HA       LYS  16   3.654 -12.299  -2.852
  115   1HB   LYS  16          1HB       LYS  16   0.995 -12.516  -4.283
  116   2HB   LYS  16          2HB       LYS  16   1.765 -13.653  -3.212
  117   1HG   LYS  16          1HG       LYS  16   0.640 -10.988  -2.127
  118   2HG   LYS  16          2HG       LYS  16  -0.459 -12.296  -2.543
  119   1HD   LYS  16          1HD       LYS  16   0.073 -12.340  -0.111
  120   2HD   LYS  16          2HD       LYS  16   0.566 -13.817  -0.936
  121   1HE   LYS  16          1HE       LYS  16   2.854 -11.976  -0.915
  122   2HE   LYS  16          2HE       LYS  16   2.259 -12.209   0.741
  123   1HZ   LYS  16          1HZ       LYS  16   2.096 -14.801  -0.216
  124   2HZ   LYS  16          2HZ       LYS  16   3.374 -14.258  -1.111
  125   3HZ   LYS  16          3HZ       LYS  16   3.439 -14.198   0.514
  126    H    ASN  17           H        ASN  17   1.605 -11.430  -5.636
  127    HA   ASN  17           HA       ASN  17   3.249 -13.021  -7.407
  128   1HB   ASN  17          1HB       ASN  17   1.627 -11.977  -9.235
  129   2HB   ASN  17          2HB       ASN  17   1.058 -13.131  -8.058
  130   1HD2  ASN  17          1HD2      ASN  17  -1.203 -10.754  -6.626
  131   2HD2  ASN  17          2HD2      ASN  17  -0.453 -12.372  -6.431
  132    H    ALA  18           H        ALA  18   2.912  -9.458  -7.329
  133    HA   ALA  18           HA       ALA  18   4.789  -7.940  -7.288
  134   1HB   ALA  18          1HB       ALA  18   6.052  -9.974  -6.493
  135   2HB   ALA  18          2HB       ALA  18   6.363 -10.435  -8.181
  136   3HB   ALA  18          3HB       ALA  18   7.066  -8.941  -7.538
  137    H    ASP  19           H        ASP  19   3.138  -7.893  -9.666
  138    HA   ASP  19           HA       ASP  19   5.077  -6.725 -11.643
  139   1HB   ASP  19          1HB       ASP  19   2.963  -7.563 -12.502
  140   2HB   ASP  19          2HB       ASP  19   2.013  -6.633 -11.351
  141    H    GLY  20           H        GLY  20   5.027  -5.883  -8.711
  142   1HA   GLY  20          1HA       GLY  20   6.407  -3.978  -8.005
  143   2HA   GLY  20          2HA       GLY  20   5.845  -3.074  -9.417
  144    H    TYR  21           H        TYR  21   3.044  -4.104  -8.098
  145    HA   TYR  21           HA       TYR  21   2.620  -1.418  -6.649
  146   1HB   TYR  21          1HB       TYR  21   0.549  -3.020  -8.283
  147   2HB   TYR  21          2HB       TYR  21   0.267  -1.501  -7.486
  148    HD1  TYR  21           HD1      TYR  21   2.430  -3.005 -10.192
  149    HD2  TYR  21           HD2      TYR  21   0.635   0.580  -8.635
  150    HE1  TYR  21           HE1      TYR  21   2.999  -1.807 -12.268
  151    HE2  TYR  21           HE2      TYR  21   1.216   1.756 -10.732
  152    HH   TYR  21           HH       TYR  21   1.599   0.948 -13.233
  153    H    ILE  22           H        ILE  22   1.237  -1.302  -4.885
  154    HA   ILE  22           HA       ILE  22   0.316  -3.926  -3.579
  155    HB   ILE  22           HB       ILE  22   1.094  -1.279  -2.245
  156   1HG1  ILE  22          1HG1      ILE  22   2.438  -4.051  -2.242
  157   2HG1  ILE  22          2HG1      ILE  22   3.130  -2.523  -2.716
  158   1HG2  ILE  22          1HG2      ILE  22  -0.878  -2.288  -1.010
  159   2HG2  ILE  22          2HG2      ILE  22  -0.016  -3.831  -0.857
  160   3HG2  ILE  22          3HG2      ILE  22   0.568  -2.371  -0.018
  161   1HD1  ILE  22          1HD1      ILE  22   3.026  -1.670  -0.318
  162   2HD1  ILE  22          2HD1      ILE  22   2.511  -3.298   0.192
  163   3HD1  ILE  22          3HD1      ILE  22   4.100  -3.069  -0.568
  164    H    ASP  23           H        ASP  23  -1.793  -4.299  -3.608
  165    HA   ASP  23           HA       ASP  23  -3.564  -2.067  -4.711
  166   1HB   ASP  23          1HB       ASP  23  -4.850  -3.979  -5.799
  167   2HB   ASP  23          2HB       ASP  23  -3.178  -3.834  -6.324
  168    H    ILE  24           H        ILE  24  -6.026  -2.669  -4.423
  169    HA   ILE  24           HA       ILE  24  -6.598  -2.079  -1.525
  170    HB   ILE  24           HB       ILE  24  -7.868  -1.222  -3.738
  171   1HG1  ILE  24          1HG1      ILE  24  -8.434  -0.151  -1.653
  172   2HG1  ILE  24          2HG1      ILE  24  -9.943  -0.699  -2.330
  173   1HG2  ILE  24          1HG2      ILE  24  -8.787  -3.481  -4.441
  174   2HG2  ILE  24          2HG2      ILE  24  -9.643  -3.628  -2.893
  175   3HG2  ILE  24          3HG2      ILE  24 -10.099  -2.374  -4.074
  176   1HD1  ILE  24          1HD1      ILE  24  -9.934  -2.751  -0.822
  177   2HD1  ILE  24          2HD1      ILE  24  -8.511  -2.080   0.011
  178   3HD1  ILE  24          3HD1      ILE  24 -10.050  -1.194   0.040
  179    H    GLU  25           H        GLU  25  -6.589  -4.879  -3.599
  180    HA   GLU  25           HA       GLU  25  -8.181  -6.634  -1.756
  181   1HB   GLU  25          1HB       GLU  25  -8.143  -6.793  -4.305
  182   2HB   GLU  25          2HB       GLU  25  -6.567  -7.515  -4.196
  183   1HG   GLU  25          1HG       GLU  25  -7.862  -9.470  -4.328
  184   2HG   GLU  25          2HG       GLU  25  -7.837  -9.322  -2.581
  185    H    GLU  26           H        GLU  26  -4.761  -6.110  -2.402
  186    HA   GLU  26           HA       GLU  26  -3.852  -8.393  -0.679
  187   1HB   GLU  26          1HB       GLU  26  -2.293  -6.295  -2.244
  188   2HB   GLU  26          2HB       GLU  26  -1.508  -7.467  -1.230
  189   1HG   GLU  26          1HG       GLU  26  -2.945  -9.235  -2.795
  190   2HG   GLU  26          2HG       GLU  26  -2.890  -7.894  -3.923
  191    H    LEU  27           H        LEU  27  -4.472  -5.041  -0.145
  192    HA   LEU  27           HA       LEU  27  -2.715  -4.331   2.113
  193   1HB   LEU  27          1HB       LEU  27  -4.130  -2.733   0.822
  194   2HB   LEU  27          2HB       LEU  27  -5.585  -3.446   1.468
  195    HG   LEU  27           HG       LEU  27  -4.526  -2.785   3.867
  196   1HD1  LEU  27          1HD1      LEU  27  -2.328  -2.038   2.947
  197   2HD1  LEU  27          2HD1      LEU  27  -3.124  -0.760   1.986
  198   3HD1  LEU  27          3HD1      LEU  27  -3.159  -0.721   3.772
  199   1HD2  LEU  27          1HD2      LEU  27  -5.774  -0.647   1.982
  200   2HD2  LEU  27          2HD2      LEU  27  -6.678  -1.821   2.986
  201   3HD2  LEU  27          3HD2      LEU  27  -5.696  -0.574   3.765
  202    H    GLY  28           H        GLY  28  -6.166  -5.268   2.489
  203   1HA   GLY  28          1HA       GLY  28  -6.143  -6.186   5.166
  204   2HA   GLY  28          2HA       GLY  28  -7.226  -6.885   3.956
  205    H    GLU  29           H        GLU  29  -4.876  -7.991   2.439
  206    HA   GLU  29           HA       GLU  29  -4.329 -10.549   3.900
  207   1HB   GLU  29          1HB       GLU  29  -3.701  -9.451   1.195
  208   2HB   GLU  29          2HB       GLU  29  -2.509 -10.547   1.825
  209   1HG   GLU  29          1HG       GLU  29  -3.950 -11.979   0.561
  210   2HG   GLU  29          2HG       GLU  29  -4.513 -12.264   2.197
  211    H    ILE  30           H        ILE  30  -2.508  -7.560   3.342
  212    HA   ILE  30           HA       ILE  30   0.124  -8.435   4.432
  213    HB   ILE  30           HB       ILE  30  -1.106  -5.652   4.100
  214   1HG1  ILE  30          1HG1      ILE  30   0.073  -5.389   2.115
  215   2HG1  ILE  30          2HG1      ILE  30   1.456  -6.293   2.670
  216   1HG2  ILE  30          1HG2      ILE  30   0.487  -5.556   6.052
  217   2HG2  ILE  30          2HG2      ILE  30   1.773  -6.295   5.064
  218   3HG2  ILE  30          3HG2      ILE  30   1.142  -4.669   4.680
  219   1HD1  ILE  30          1HD1      ILE  30  -1.099  -7.684   1.621
  220   2HD1  ILE  30          2HD1      ILE  30   0.441  -7.462   0.764
  221   3HD1  ILE  30          3HD1      ILE  30   0.379  -8.485   2.214
  222    H    LEU  31           H        LEU  31  -2.574  -6.589   5.895
  223    HA   LEU  31           HA       LEU  31  -1.600  -6.853   8.718
  224   1HB   LEU  31          1HB       LEU  31  -3.830  -5.956   9.355
  225   2HB   LEU  31          2HB       LEU  31  -2.965  -4.935   8.232
  226    HG   LEU  31           HG       LEU  31  -4.500  -6.350   6.420
  227   1HD1  LEU  31          1HD1      LEU  31  -6.175  -6.215   9.018
  228   2HD1  LEU  31          2HD1      LEU  31  -6.823  -6.539   7.387
  229   3HD1  LEU  31          3HD1      LEU  31  -5.680  -7.673   8.114
  230   1HD2  LEU  31          1HD2      LEU  31  -5.365  -3.818   7.993
  231   2HD2  LEU  31          2HD2      LEU  31  -4.436  -3.864   6.469
  232   3HD2  LEU  31          3HD2      LEU  31  -6.123  -4.387   6.483
  233    H    ARG  32           H        ARG  32  -3.932  -8.654   6.740
  234    HA   ARG  32           HA       ARG  32  -4.133 -10.787   8.946
  235   1HB   ARG  32          1HB       ARG  32  -6.009  -9.087   7.732
  236   2HB   ARG  32          2HB       ARG  32  -6.277 -10.591   6.852
  237   1HG   ARG  32          1HG       ARG  32  -6.533 -11.763   9.159
  238   2HG   ARG  32          2HG       ARG  32  -6.355 -10.170   9.916
  239   1HD   ARG  32          1HD       ARG  32  -8.449  -9.355   9.088
  240   2HD   ARG  32          2HD       ARG  32  -8.471 -10.482   7.713
  241    HE   ARG  32           HE       ARG  32  -8.590 -11.774  10.458
  242   1HH1  ARG  32          2HH1      ARG  32 -10.436 -10.747   7.699
  243   2HH1  ARG  32          1HH1      ARG  32 -11.865 -11.780   8.177
  244   1HH2  ARG  32          1HH2      ARG  32 -10.225 -12.913  10.972
  245   2HH2  ARG  32          2HH2      ARG  32 -11.733 -12.931   9.948
  246    H    ALA  33           H        ALA  33  -1.985 -10.816   6.844
  247    HA   ALA  33           HA       ALA  33  -2.400 -13.397   5.484
  248   1HB   ALA  33          1HB       ALA  33  -0.682 -11.726   4.811
  249   2HB   ALA  33          2HB       ALA  33   0.190 -11.951   6.352
  250   3HB   ALA  33          3HB       ALA  33   0.082 -13.282   5.179
  251    H    THR  34           H        THR  34  -0.324 -12.791   8.340
  252    HA   THR  34           HA       THR  34  -0.152 -15.749   8.848
  253    HB   THR  34           HB       THR  34   1.403 -13.789  10.557
  254    HG1  THR  34           HG1      THR  34   2.963 -13.719   8.871
  255   1HG2  THR  34          2HG2      THR  34   1.681 -16.352  10.671
  256   2HG2  THR  34          3HG2      THR  34   2.259 -16.322   8.985
  257   3HG2  THR  34          1HG2      THR  34   3.189 -15.499  10.250
  258    H    GLY  35           H        GLY  35  -0.656 -12.940  11.099
  259   1HA   GLY  35          1HA       GLY  35  -1.969 -14.889  13.084
  260   2HA   GLY  35          2HA       GLY  35  -0.724 -13.770  13.652
  261   1HN   NH2  36          1HN       NH2  36  -3.506 -13.080  11.368
  262   2HN   NH2  36          2HN       NH2  36  -4.223 -11.806  12.391
  263   1H    ACE  37          1HH3      ACE  37 -10.538  -9.931  13.468
  264   2H    ACE  37          2HH3      ACE  37  -9.097  -9.170  12.709
  265   3H    ACE  37          3HH3      ACE  37  -9.350  -9.055  14.470
  266    H    VAL  38           H        VAL  38 -10.938  -8.199  11.396
  267    HA   VAL  38           HA       VAL  38 -12.836  -6.135  12.342
  268    HB   VAL  38           HB       VAL  38 -10.010  -5.390  12.468
  269   1HG1  VAL  38          1HG1      VAL  38 -11.750  -3.639  10.582
  270   2HG1  VAL  38          2HG1      VAL  38 -10.220  -3.103  11.314
  271   3HG1  VAL  38          3HG1      VAL  38 -10.227  -4.448  10.169
  272   1HG2  VAL  38          1HG2      VAL  38 -11.709  -4.806  14.253
  273   2HG2  VAL  38          2HG2      VAL  38 -10.932  -3.339  13.621
  274   3HG2  VAL  38          3HG2      VAL  38 -12.577  -3.773  13.096
  275    H    THR  39           H        THR  39 -13.786  -5.007  10.484
  276    HA   THR  39           HA       THR  39 -14.178  -7.120   8.380
  277    HB   THR  39           HB       THR  39 -16.117  -5.886   9.396
  278    HG1  THR  39           HG1      THR  39 -15.719  -5.455   6.616
  279   1HG2  THR  39          2HG2      THR  39 -15.017  -3.459   7.810
  280   2HG2  THR  39          3HG2      THR  39 -16.599  -3.526   8.621
  281   3HG2  THR  39          1HG2      THR  39 -15.107  -3.593   9.582
  282    H    GLU  40           H        GLU  40 -14.194  -6.526   6.075
  283    HA   GLU  40           HA       GLU  40 -11.893  -4.901   5.054
  284   1HB   GLU  40          1HB       GLU  40 -14.182  -5.941   3.348
  285   2HB   GLU  40          2HB       GLU  40 -12.582  -5.499   2.836
  286   1HG   GLU  40          1HG       GLU  40 -11.595  -7.556   3.675
  287   2HG   GLU  40          2HG       GLU  40 -12.924  -7.878   4.774
  288    H    GLU  41           H        GLU  41 -15.317  -4.223   5.649
  289    HA   GLU  41           HA       GLU  41 -15.407  -1.567   4.592
  290   1HB   GLU  41          1HB       GLU  41 -16.910  -3.035   6.718
  291   2HB   GLU  41          2HB       GLU  41 -17.037  -1.304   6.794
  292   1HG   GLU  41          1HG       GLU  41 -18.046  -1.201   4.505
  293   2HG   GLU  41          2HG       GLU  41 -17.722  -2.902   4.223
  294    H    ASP  42           H        ASP  42 -13.754  -2.537   7.551
  295    HA   ASP  42           HA       ASP  42 -12.934   0.244   8.203
  296   1HB   ASP  42          1HB       ASP  42 -12.233  -2.538   9.284
  297   2HB   ASP  42          2HB       ASP  42 -11.332  -1.132   9.833
  298    H    ILE  43           H        ILE  43 -11.376  -2.404   6.467
  299    HA   ILE  43           HA       ILE  43  -8.879  -0.938   5.668
  300    HB   ILE  43           HB       ILE  43 -10.316  -3.381   4.562
  301   1HG1  ILE  43          1HG1      ILE  43  -7.957  -4.425   4.815
  302   2HG1  ILE  43          2HG1      ILE  43  -7.438  -2.955   5.595
  303   1HG2  ILE  43          1HG2      ILE  43  -9.603  -2.121   2.492
  304   2HG2  ILE  43          2HG2      ILE  43  -7.953  -1.961   3.125
  305   3HG2  ILE  43          3HG2      ILE  43  -8.608  -3.557   2.684
  306   1HD1  ILE  43          1HD1      ILE  43  -9.141  -3.243   7.445
  307   2HD1  ILE  43          2HD1      ILE  43  -9.589  -4.826   6.759
  308   3HD1  ILE  43          3HD1      ILE  43  -7.939  -4.550   7.355
  309    H    GLU  44           H        GLU  44 -12.227  -1.030   4.602
  310    HA   GLU  44           HA       GLU  44 -11.860   0.747   2.214
  311   1HB   GLU  44          1HB       GLU  44 -14.128  -0.677   3.490
  312   2HB   GLU  44          2HB       GLU  44 -14.578   0.874   2.848
  313   1HG   GLU  44          1HG       GLU  44 -12.979  -0.701   0.855
  314   2HG   GLU  44          2HG       GLU  44 -14.400  -1.579   1.393
  315    H    ASP  45           H        ASP  45 -12.479   1.246   5.611
  316    HA   ASP  45           HA       ASP  45 -13.131   4.174   5.494
  317   1HB   ASP  45          1HB       ASP  45 -12.414   2.185   7.709
  318   2HB   ASP  45          2HB       ASP  45 -12.371   3.909   8.052
  319    H    LEU  46           H        LEU  46 -10.165   2.343   6.283
  320    HA   LEU  46           HA       LEU  46  -8.243   4.592   6.431
  321   1HB   LEU  46          1HB       LEU  46  -7.800   2.270   7.199
  322   2HB   LEU  46          2HB       LEU  46  -7.829   1.671   5.557
  323    HG   LEU  46           HG       LEU  46  -5.812   3.626   5.369
  324   1HD1  LEU  46          1HD1      LEU  46  -6.150   3.523   8.117
  325   2HD1  LEU  46          2HD1      LEU  46  -4.945   2.226   7.874
  326   3HD1  LEU  46          3HD1      LEU  46  -4.593   3.865   7.307
  327   1HD2  LEU  46          1HD2      LEU  46  -5.916   0.636   5.551
  328   2HD2  LEU  46          2HD2      LEU  46  -5.005   1.665   4.407
  329   3HD2  LEU  46          3HD2      LEU  46  -4.362   1.315   6.040
  330    H    MET  47           H        MET  47  -9.048   2.586   3.598
  331    HA   MET  47           HA       MET  47  -7.053   4.093   1.955
  332   1HB   MET  47          1HB       MET  47  -8.092   1.417   2.029
  333   2HB   MET  47          2HB       MET  47  -8.531   2.049   0.451
  334   1HG   MET  47          1HG       MET  47  -5.655   1.936   1.562
  335   2HG   MET  47          2HG       MET  47  -6.343   0.951   0.259
  336   1HE   MET  47          1HE       MET  47  -4.457   1.477  -1.276
  337   2HE   MET  47          2HE       MET  47  -6.034   1.451  -2.117
  338   3HE   MET  47          3HE       MET  47  -4.828   2.700  -2.540
  339    H    LYS  48           H        LYS  48 -10.531   4.319   2.257
  340    HA   LYS  48           HA       LYS  48 -10.618   6.203  -0.108
  341   1HB   LYS  48          1HB       LYS  48 -12.445   4.532   1.315
  342   2HB   LYS  48          2HB       LYS  48 -13.040   6.133   1.625
  343   1HG   LYS  48          1HG       LYS  48 -14.211   5.326  -0.376
  344   2HG   LYS  48          2HG       LYS  48 -13.101   6.538  -0.931
  345   1HD   LYS  48          1HD       LYS  48 -11.683   5.100  -2.059
  346   2HD   LYS  48          2HD       LYS  48 -11.918   3.737  -1.016
  347   1HE   LYS  48          1HE       LYS  48 -14.486   3.931  -2.209
  348   2HE   LYS  48          2HE       LYS  48 -13.482   4.619  -3.473
  349   1HZ   LYS  48          1HZ       LYS  48 -11.951   2.430  -2.931
  350   2HZ   LYS  48          2HZ       LYS  48 -13.434   1.796  -2.553
  351   3HZ   LYS  48          3HZ       LYS  48 -13.100   2.425  -4.022
  352    H    ASP  49           H        ASP  49 -10.091   6.380   3.317
  353    HA   ASP  49           HA       ASP  49 -10.157   9.396   3.481
  354   1HB   ASP  49          1HB       ASP  49 -10.286   7.821   5.515
  355   2HB   ASP  49          2HB       ASP  49  -8.582   7.453   5.286
  356    H    SER  50           H        SER  50  -7.288   7.189   3.478
  357    HA   SER  50           HA       SER  50  -5.424   9.490   3.057
  358   1HB   SER  50          1HB       SER  50  -4.656   6.540   2.687
  359   2HB   SER  50          2HB       SER  50  -3.650   7.870   3.254
  360    HG   SER  50           HG       SER  50  -4.479   6.352   4.866
  361    H    ASP  51           H        ASP  51  -6.848   7.002   0.882
  362    HA   ASP  51           HA       ASP  51  -5.753   8.062  -1.587
  363   1HB   ASP  51          1HB       ASP  51  -7.043   5.892  -1.276
  364   2HB   ASP  51          2HB       ASP  51  -8.539   6.806  -1.144
  365    H    LYS  52           H        LYS  52  -6.178   9.722  -2.900
  366    HA   LYS  52           HA       LYS  52  -8.257  11.807  -2.062
  367   1HB   LYS  52          1HB       LYS  52  -5.747  12.660  -3.523
  368   2HB   LYS  52          2HB       LYS  52  -6.767  13.626  -2.504
  369   1HG   LYS  52          1HG       LYS  52  -5.005  13.380  -0.965
  370   2HG   LYS  52          2HG       LYS  52  -5.788  11.879  -0.584
  371   1HD   LYS  52          1HD       LYS  52  -3.855  10.822  -1.007
  372   2HD   LYS  52          2HD       LYS  52  -4.207  10.953  -2.698
  373   1HE   LYS  52          1HE       LYS  52  -2.193  12.517  -0.984
  374   2HE   LYS  52          2HE       LYS  52  -1.976  11.794  -2.577
  375   1HZ   LYS  52          1HZ       LYS  52  -3.526  13.602  -3.502
  376   2HZ   LYS  52          2HZ       LYS  52  -3.616  14.337  -2.102
  377   3HZ   LYS  52          3HZ       LYS  52  -2.162  14.257  -2.891
  378    H    ASN  53           H        ASN  53  -6.172  11.501  -4.957
  379    HA   ASN  53           HA       ASN  53  -8.353  12.219  -6.751
  380   1HB   ASN  53          1HB       ASN  53  -6.672  12.313  -8.463
  381   2HB   ASN  53          2HB       ASN  53  -5.808  12.680  -6.996
  382   1HD2  ASN  53          1HD2      ASN  53  -4.599   9.563  -9.198
  383   2HD2  ASN  53          2HD2      ASN  53  -5.980  10.636  -9.703
  384    H    ASN  54           H        ASN  54  -8.205   9.325  -5.349
  385    HA   ASN  54           HA       ASN  54  -8.926   7.080  -5.825
  386   1HB   ASN  54          1HB       ASN  54 -10.543   8.890  -7.726
  387   2HB   ASN  54          2HB       ASN  54 -10.775   7.165  -7.782
  388   1HD2  ASN  54          1HD2      ASN  54 -12.984   7.294  -5.052
  389   2HD2  ASN  54          2HD2      ASN  54 -12.344   6.408  -6.507
  390    H    ASP  55           H        ASP  55  -6.437   7.746  -7.095
  391    HA   ASP  55           HA       ASP  55  -6.396   5.619  -9.285
  392   1HB   ASP  55          1HB       ASP  55  -4.078   6.141  -9.614
  393   2HB   ASP  55          2HB       ASP  55  -4.871   7.694  -9.391
  394    H    GLY  56           H        GLY  56  -7.401   3.972  -7.833
  395   1HA   GLY  56          1HA       GLY  56  -6.869   3.677  -4.974
  396   2HA   GLY  56          2HA       GLY  56  -7.563   2.416  -6.001
  397    H    ARG  57           H        ARG  57  -5.313   2.029  -7.728
  398    HA   ARG  57           HA       ARG  57  -3.690   0.198  -6.072
  399   1HB   ARG  57          1HB       ARG  57  -3.222   0.902  -9.024
  400   2HB   ARG  57          2HB       ARG  57  -2.762  -0.581  -8.189
  401   1HG   ARG  57          1HG       ARG  57  -4.965  -1.459  -8.227
  402   2HG   ARG  57          2HG       ARG  57  -5.729   0.127  -8.136
  403   1HD   ARG  57          1HD       ARG  57  -4.186  -0.210 -10.689
  404   2HD   ARG  57          2HD       ARG  57  -5.378  -1.489 -10.462
  405    HE   ARG  57           HE       ARG  57  -7.048   0.536  -9.737
  406   1HH1  ARG  57          2HH1      ARG  57  -4.945   0.442 -12.489
  407   2HH1  ARG  57          1HH1      ARG  57  -6.012   1.630 -13.405
  408   1HH2  ARG  57          1HH2      ARG  57  -8.197   1.789 -10.775
  409   2HH2  ARG  57          2HH2      ARG  57  -7.825   2.287 -12.498
  410    H    ILE  58           H        ILE  58  -1.768   0.397  -5.152
  411    HA   ILE  58           HA       ILE  58  -0.602   3.203  -5.135
  412    HB   ILE  58           HB       ILE  58  -0.634   0.998  -3.018
  413   1HG1  ILE  58          1HG1      ILE  58  -1.870   3.835  -3.053
  414   2HG1  ILE  58          2HG1      ILE  58  -2.746   2.337  -3.190
  415   1HG2  ILE  58          1HG2      ILE  58   1.612   2.159  -2.862
  416   2HG2  ILE  58          2HG2      ILE  58   0.809   3.739  -2.773
  417   3HG2  ILE  58          3HG2      ILE  58   0.617   2.551  -1.464
  418   1HD1  ILE  58          1HD1      ILE  58  -2.060   1.629  -0.854
  419   2HD1  ILE  58          2HD1      ILE  58  -1.270   3.212  -0.636
  420   3HD1  ILE  58          3HD1      ILE  58  -3.024   3.125  -0.906
  421    H    ASP  59           H        ASP  59   1.360   3.631  -5.890
  422    HA   ASP  59           HA       ASP  59   3.491   1.459  -6.071
  423   1HB   ASP  59          1HB       ASP  59   4.671   3.028  -7.613
  424   2HB   ASP  59          2HB       ASP  59   3.025   2.711  -8.145
  425    H    PHE  60           H        PHE  60   5.806   2.879  -5.931
  426    HA   PHE  60           HA       PHE  60   6.286   2.606  -3.053
  427   1HB   PHE  60          1HB       PHE  60   7.906   2.020  -4.942
  428   2HB   PHE  60          2HB       PHE  60   8.206   3.708  -5.194
  429    HD1  PHE  60           HD1      PHE  60   9.038   5.087  -2.959
  430    HD2  PHE  60           HD2      PHE  60   9.385   0.839  -3.494
  431    HE1  PHE  60           HE1      PHE  60  10.879   5.020  -1.316
  432    HE2  PHE  60           HE2      PHE  60  11.237   0.786  -1.888
  433    HZ   PHE  60           HZ       PHE  60  11.981   2.868  -0.776
  434    H    ASP  61           H        ASP  61   6.088   5.518  -5.069
  435    HA   ASP  61           HA       ASP  61   6.717   7.633  -3.158
  436   1HB   ASP  61          1HB       ASP  61   4.381   7.857  -5.223
  437   2HB   ASP  61          2HB       ASP  61   5.685   8.947  -4.818
  438    H    GLU  62           H        GLU  62   3.433   6.740  -4.048
  439    HA   GLU  62           HA       GLU  62   1.887   7.589  -1.763
  440   1HB   GLU  62          1HB       GLU  62   1.292   4.970  -3.184
  441   2HB   GLU  62          2HB       GLU  62   0.174   6.044  -2.400
  442   1HG   GLU  62          1HG       GLU  62   1.723   6.897  -4.945
  443   2HG   GLU  62          2HG       GLU  62   0.196   6.039  -5.028
  444    H    PHE  63           H        PHE  63   4.062   4.773  -1.857
  445    HA   PHE  63           HA       PHE  63   3.077   3.423   0.634
  446   1HB   PHE  63          1HB       PHE  63   4.510   2.375  -1.241
  447   2HB   PHE  63          2HB       PHE  63   5.861   3.296  -0.672
  448    HD1  PHE  63           HD1      PHE  63   3.320   1.000   1.045
  449    HD2  PHE  63           HD2      PHE  63   7.458   1.976   0.380
  450    HE1  PHE  63           HE1      PHE  63   4.007  -0.732   2.659
  451    HE2  PHE  63           HE2      PHE  63   8.118   0.260   1.990
  452    HZ   PHE  63           HZ       PHE  63   6.402  -1.065   3.176
  453    H    LEU  64           H        LEU  64   5.731   5.702  -0.056
  454    HA   LEU  64           HA       LEU  64   6.587   6.152   2.705
  455   1HB   LEU  64          1HB       LEU  64   6.875   7.914   0.214
  456   2HB   LEU  64          2HB       LEU  64   7.620   8.322   1.739
  457    HG   LEU  64           HG       LEU  64   8.208   5.658   0.323
  458   1HD1  LEU  64          1HD1      LEU  64   9.644   8.377  -0.037
  459   2HD1  LEU  64          2HD1      LEU  64  10.290   6.804  -0.576
  460   3HD1  LEU  64          3HD1      LEU  64   8.784   7.412  -1.269
  461   1HD2  LEU  64          1HD2      LEU  64   9.762   7.256   2.489
  462   2HD2  LEU  64          2HD2      LEU  64   8.961   5.671   2.694
  463   3HD2  LEU  64          3HD2      LEU  64  10.382   5.811   1.650
  464    H    LYS  65           H        LYS  65   4.164   7.939   0.796
  465    HA   LYS  65           HA       LYS  65   3.380   9.735   3.064
  466   1HB   LYS  65          1HB       LYS  65   1.787   9.202   0.523
  467   2HB   LYS  65          2HB       LYS  65   1.988  10.725   1.368
  468   1HG   LYS  65          1HG       LYS  65   4.398  10.819   0.467
  469   2HG   LYS  65          2HG       LYS  65   4.128   9.258  -0.331
  470   1HD   LYS  65          1HD       LYS  65   3.696  10.895  -2.023
  471   2HD   LYS  65          2HD       LYS  65   2.111  10.253  -1.580
  472   1HE   LYS  65          1HE       LYS  65   1.946  12.706  -1.902
  473   2HE   LYS  65          2HE       LYS  65   1.745  12.372  -0.173
  474   1HZ   LYS  65          1HZ       LYS  65   4.395  12.702  -0.095
  475   2HZ   LYS  65          2HZ       LYS  65   4.196  13.555  -1.493
  476   3HZ   LYS  65          3HZ       LYS  65   3.456  14.007  -0.113
  477    H    MET  66           H        MET  66   2.398   6.528   2.009
  478    HA   MET  66           HA       MET  66   0.051   6.353   3.799
  479   1HB   MET  66          1HB       MET  66  -0.085   4.864   2.008
  480   2HB   MET  66          2HB       MET  66   1.627   4.500   2.016
  481   1HG   MET  66          1HG       MET  66   1.465   2.749   3.558
  482   2HG   MET  66          2HG       MET  66   0.074   3.444   4.411
  483   1HE   MET  66          1HE       MET  66   1.174   2.226   0.786
  484   2HE   MET  66          2HE       MET  66  -0.433   1.995   0.035
  485   3HE   MET  66          3HE       MET  66   0.084   3.628   0.554
  486    H    MET  67           H        MET  67   2.974   4.262   4.101
  487    HA   MET  67           HA       MET  67   3.246   3.753   6.856
  488   1HB   MET  67          1HB       MET  67   5.096   3.050   5.529
  489   2HB   MET  67          2HB       MET  67   5.305   4.623   4.785
  490   1HG   MET  67          1HG       MET  67   6.320   5.592   6.819
  491   2HG   MET  67          2HG       MET  67   5.980   4.124   7.757
  492   1HE   MET  67          1HE       MET  67   7.567   2.497   8.204
  493   2HE   MET  67          2HE       MET  67   6.995   1.561   6.790
  494   3HE   MET  67          3HE       MET  67   8.753   1.770   7.076
  495    H    GLU  68           H        GLU  68   3.936   6.973   5.379
  496    HA   GLU  68           HA       GLU  68   3.929   8.317   8.014
  497   1HB   GLU  68          1HB       GLU  68   5.250   9.041   6.013
  498   2HB   GLU  68          2HB       GLU  68   3.795   9.579   5.231
  499   1HG   GLU  68          1HG       GLU  68   3.488  11.431   6.845
  500   2HG   GLU  68          2HG       GLU  68   4.685  10.778   7.948
  501    H    GLY  69           H        GLY  69   1.859   9.751   5.573
  502   1HA   GLY  69          1HA       GLY  69  -0.589  10.079   5.658
  503   2HA   GLY  69          2HA       GLY  69  -0.604   9.429   7.302
  504    H    VAL  70           H        VAL  70  -1.858  11.907   6.179
  505    HA   VAL  70           HA       VAL  70  -0.108  14.205   7.234
  506    HB   VAL  70           HB       VAL  70  -1.198  13.980   4.703
  507   1HG1  VAL  70          1HG1      VAL  70  -3.130  15.816   6.295
  508   2HG1  VAL  70          2HG1      VAL  70  -3.020  15.745   4.517
  509   3HG1  VAL  70          3HG1      VAL  70  -3.572  14.331   5.418
  510   1HG2  VAL  70          1HG2      VAL  70   0.592  15.627   5.392
  511   2HG2  VAL  70          2HG2      VAL  70  -0.637  16.407   4.409
  512   3HG2  VAL  70          3HG2      VAL  70  -0.622  16.658   6.180
  513    H    GLN  71           H        GLN  71  -1.930  16.105   7.715
  514    HA   GLN  71           HA       GLN  71  -4.390  15.121   9.107
  515   1HB   GLN  71          1HB       GLN  71  -3.808  16.058  11.364
  516   2HB   GLN  71          2HB       GLN  71  -2.866  14.645  10.891
  517   1HG   GLN  71          1HG       GLN  71  -1.044  16.419  10.070
  518   2HG   GLN  71          2HG       GLN  71  -1.936  17.604  11.006
  519   1HE2  GLN  71          1HE2      GLN  71  -0.588  16.438  14.083
  520   2HE2  GLN  71          2HE2      GLN  71  -1.899  17.448  13.258
  521   1HN   NH2  72          1HN       NH2  72  -3.391  17.140   6.909
  522   2HN   NH2  72          2HN       NH2  72  -4.209  18.671   7.321
   
  No H/Q in entry =         522