*HEADER    OXIDOREDUCTASE                          03-NOV-99   1DBY              
*TITLE     NMR STRUCTURES OF CHLOROPLAST THIOREDOXIN M CH2 FROM THE              
*TITLE    2 GREEN ALGA CHLAMYDOMONAS REINHARDTII                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHLOROPLAST THIOREDOXIN M CH2;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII;                      
*SOURCE   3 ORGANELLE: CHLOROPLAST;                                              
*SOURCE   4 GENE: NUCLEAR;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET3                                       
*KEYWDS    THIOREDOXIN M, THIOREDOXIN CH2, CHLOROPLASTIC THIOREDOXIN             
*EXPDTA    NMR, 28 STRUCTURES                                                    
*AUTHOR    J.M.LANCELIN, L.GUILHAUDIS, I.KRIMM, M.J.BLACKLEDGE,                  
*AUTHOR   2 D.MARION                                                             
*REVDAT   1   08-NOV-99 1DBY    0                                                

#remote_prochiral_center
1:VAL_6:HG1*    1:VAL_6:HG2*    1:VAL_6:CG1     1:VAL_6:CG2     1:VAL_6:CB     
1:VAL_14:HG1*   1:VAL_14:HG2*   1:VAL_14:CG1    1:VAL_14:CG2    1:VAL_14:CB    
1:VAL_15:HG1*   1:VAL_15:HG2*   1:VAL_15:CG1    1:VAL_15:CG2    1:VAL_15:CB    
1:LEU_16:HD1*   1:LEU_16:HD2*   1:LEU_16:CD1    1:LEU_16:CD2    1:LEU_16:CG    
1:VAL_20:HG1*   1:VAL_20:HG2*   1:VAL_20:CG1    1:VAL_20:CG2    1:VAL_20:CB    
1:VAL_22:HG1*   1:VAL_22:HG2*   1:VAL_22:CG1    1:VAL_22:CG2    1:VAL_22:CB    
1:VAL_24:HG1*   1:VAL_24:HG2*   1:VAL_24:CG1    1:VAL_24:CG2    1:VAL_24:CB    
1:VAL_40:HG1*   1:VAL_40:HG2*   1:VAL_40:CG1    1:VAL_40:CG2    1:VAL_40:CB    
1:VAL_41:HG1*   1:VAL_41:HG2*   1:VAL_41:CG1    1:VAL_41:CG2    1:VAL_41:CB    
1:VAL_55:HG1*   1:VAL_55:HG2*   1:VAL_55:CG1    1:VAL_55:CG2    1:VAL_55:CB    
1:VAL_65:HG1*   1:VAL_65:HG2*   1:VAL_65:CG1    1:VAL_65:CG2    1:VAL_65:CB    
1:VAL_79:HG1*   1:VAL_79:HG2*   1:VAL_79:CG1    1:VAL_79:CG2    1:VAL_79:CB    
1:VAL_99:HG1*   1:VAL_99:HG2*   1:VAL_99:CG1    1:VAL_99:CG2    1:VAL_99:CB    
1:VAL_102:HG1*  1:VAL_102:HG2*  1:VAL_102:CG1   1:VAL_102:CG2   1:VAL_102:CB   
1:LEU_57:HD1*   1:LEU_57:HD2*   1:LEU_57:CD1    1:LEU_57:CD2    1:LEU_57:CG    
1:LEU_23:HD2*   1:LEU_23:HD1*   1:LEU_23:CD2    1:LEU_23:CD1    1:LEU_23:CG    
1:LEU_52:HD1*   1:LEU_52:HD2*   1:LEU_52:CD1    1:LEU_52:CD2    1:LEU_52:CG    
1:VAL_93:HG2*   1:VAL_93:HG1*   1:VAL_93:CG2    1:VAL_93:CG1    1:VAL_93:CB    
1:LEU_106:HD2*  1:LEU_106:HD1*  1:LEU_106:CD2   1:LEU_106:CD1   1:LEU_106:CG   
!
#chiral
1:MET_1:CA        S
1:GLU_2:CA         S
1:ALA_3:CA         S
1:ALA_5:CA         S
1:VAL_6:CA         S
1:ASN_7:CA         S
1:ASP_8:CA         S
1:ASP_9:CA         S
1:THR_10:CA        S
1:THR_10:CB        R
1:PHE_11:CA        S
1:LYS_12:CA        S
1:ASN_13:CA        S
1:VAL_14:CA        S
1:VAL_15:CA        S
1:LEU_16:CA        S
1:GLU_17:CA        S
1:SER_18:CA        S
1:SER_19:CA        S
1:VAL_20:CA        S
1:PRO_21:CA        S
1:VAL_22:CA        S
1:LEU_23:CA        S
1:VAL_24:CA        S
1:ASP_25:CA        S
1:PHE_26:CA        S
1:TRP_27:CA        S
1:ALA_28:CA        S
1:PRO_29:CA        S
1:TRP_30:CA        S
1:CYS_31:CA        R
1:PRO_33:CA        S
1:CYS_34:CA        R
1:ARG_35:CA        S
1:ILE_36:CA        S
1:ILE_36:CB        S
1:ILE_37:CA        S
1:ILE_37:CB        S
1:ALA_38:CA        S
1:PRO_39:CA        S
1:VAL_40:CA        S
1:VAL_41:CA        S
1:ASP_42:CA        S
1:GLU_43:CA        S
1:ILE_44:CA        S
1:ILE_44:CB        S
1:ALA_45:CA        S
1:GLU_47:CA        S
1:TYR_48:CA        S
1:LYS_49:CA        S
1:ASP_50:CA        S
1:LYS_51:CA        S
1:LEU_52:CA        S
1:LYS_53:CA        S
1:CYS_54:CA       R
1:VAL_55:CA        S
1:LYS_56:CA        S
1:LEU_57:CA        S
1:ASN_58:CA        S
1:THR_59:CA        S
1:THR_59:CB        R
1:ASP_60:CA        S
1:GLU_61:CA        S
1:SER_62:CA        S
1:PRO_63:CA        S
1:ASN_64:CA        S
1:VAL_65:CA        S
1:ALA_66:CA        S
1:SER_67:CA        S
1:GLU_68:CA        S
1:TYR_69:CA        S
1:ILE_71:CA        S
1:ILE_71:CB        S
1:ARG_72:CA        S
1:SER_73:CA        S
1:ILE_74:CA        S
1:ILE_74:CB        S
1:PRO_75:CA        S
1:THR_76:CA        S
1:THR_76:CB        R
1:ILE_77:CA        S
1:ILE_77:CB        S
1:MET_78:CA        S
1:VAL_79:CA        S
1:PHE_80:CA        S
1:LYS_81:CA        S
1:LYS_84:CA        S
1:LYS_85:CA        S
1:CYS_86:CA       R
1:GLU_87:CA        S
1:THR_88:CA        S
1:THR_88:CB        R
1:ILE_89:CA        S
1:ILE_89:CB        S
1:ILE_90:CA        S
1:ILE_90:CB        S
1:ALA_92:CA        S
1:VAL_93:CA        S
1:PRO_94:CA        S
1:LYS_95:CA        S
1:ALA_96:CA        S
1:THR_97:CA        S
1:THR_97:CB        R
1:ILE_98:CA        S
1:ILE_98:CB        S
1:VAL_99:CA        S
1:GLN_100:CA       S
1:THR_101:CA       S
1:THR_101:CB       R
1:VAL_102:CA       S
1:GLU_103:CA       S
1:LYS_104:CA       S
1:TYR_105:CA       S
1:LEU_106:CA       S
1:ASN_107:CA      S
!
#distance
1:THR_10:O         1:VAL_14:HN         0.000  2.300 50.00 50.00 1000.000
1:THR_10:O         1:VAL_14:N          2.500  3.300 50.00 50.00 1000.000
1:PHE_11:O         1:LEU_16:HN         0.000  2.300 50.00 50.00 1000.000
1:PHE_11:O         1:LEU_16:N          2.500  3.300 50.00 50.00 1000.000
1:ALA_38:O         1:ASP_42:HN         0.000  2.300 50.00 50.00 1000.000
1:ALA_38:O         1:ASP_42:N          2.500  3.300 50.00 50.00 1000.000
1:PRO_39:O         1:GLU_43:HN         0.000  2.300 50.00 50.00 1000.000
1:PRO_39:O         1:GLU_43:N          2.500  3.300 50.00 50.00 1000.000
1:VAL_40:O         1:ILE_44:HN         0.000  2.300 50.00 50.00 1000.000
1:VAL_40:O         1:ILE_44:N          2.500  3.300 50.00 50.00 1000.000
1:LYS_95:O         1:VAL_99:HN         0.000  2.300 50.00 50.00 1000.000
1:LYS_95:O         1:VAL_99:N          2.500  3.300 50.00 50.00 1000.000
1:VAL_22:O         1:PHE_80:HN         0.000  2.300 50.00 50.00 1000.000
1:VAL_22:O         1:PHE_80:N          2.500  3.300 50.00 50.00 1000.000
1:PHE_80:O         1:VAL_22:HN         0.000  2.300 50.00 50.00 1000.000
1:PHE_80:O         1:VAL_22:N          2.500  3.300 50.00 50.00 1000.000
1:VAL_24:O         1:MET_78:HN         0.000  2.300 50.00 50.00 1000.000
1:VAL_24:O         1:MET_78:N          2.500  3.300 50.00 50.00 1000.000
1:MET_78:O         1:VAL_24:HN         0.000  2.300 50.00 50.00 1000.000
1:MET_78:O         1:VAL_24:N          2.500  3.300 50.00 50.00 1000.000
1:THR_76:O         1:PHE_26:HN         0.000  2.300 50.00 50.00 1000.000
1:THR_76:O         1:PHE_26:N          2.500  3.300 50.00 50.00 1000.000
1:GLU_87:O         1:VAL_79:HN         0.000  2.300 50.00 50.00 1000.000
1:GLU_87:O         1:VAL_79:N          2.500  3.300 50.00 50.00 1000.000
1:ILE_89:O         1:ILE_77:HN         0.000  2.300 50.00 50.00 1000.000
1:ILE_89:O         1:ILE_77:N          2.500  3.300 50.00 50.00 1000.000
1:ILE_77:O         1:ILE_89:HN         0.000  2.300 50.00 50.00 1000.000
1:ILE_77:O         1:ILE_89:N          2.500  3.300 50.00 50.00 1000.000
1:LYS_53:O         1:LEU_23:HN         0.000  2.300 50.00 50.00 1000.000
1:LYS_53:O         1:LEU_23:N          2.500  3.300 50.00 50.00 1000.000
1:LEU_57:O         1:TRP_27:HN         0.000  2.300 50.00 50.00 1000.000
1:LEU_57:O         1:TRP_27:N          2.500  3.300 50.00 50.00 1000.000
1:TRP_27:O         1:THR_59:HN         0.000  2.300 50.00 50.00 1000.000
1:TRP_27:O         1:THR_59:N          2.500  3.300 50.00 50.00 1000.000
1:TYR_48:O         1:LEU_52:HN         0.000  2.300 50.00 50.00 1000.000
1:TYR_48:O         1:LEU_52:N          2.500  3.300 50.00 50.00 1000.000
1:ASN_58:O         1:SER_62:HN         0.000  2.300 50.00 50.00 1000.000
1:ASN_58:O         1:SER_62:N          2.500  3.300 50.00 50.00 1000.000
1:ASN_58:OD1       1:ASP_60:HN         0.000  2.300 50.00 50.00 1000.000
1:ASN_58:OD1       1:ASP_60:N          2.500  3.300 50.00 50.00 1000.000
1:ASN_58:OD1       1:GLU_61:HN         0.000  2.300 50.00 50.00 1000.000
1:ASN_58:OD1       1:GLU_61:N          2.500  3.300 50.00 50.00 1000.000
1:LYS_84:O         1:LYS_81:HN         0.000  2.300 50.00 50.00 1000.000
1:LYS_84:O         1:LYS_81:N          2.500  3.300 50.00 50.00 1000.000
!
#NOE_distance
1:VAL_6:HN         1:VAL_6:HG1*       -1.000  4.300  4.300 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:VAL_6:HG2*       -1.000  4.300  4.300 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:VAL_6:HB         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:ASN_7:HB1        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:ASN_7:HB2        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:VAL_14:HB        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:VAL_14:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:VAL_14:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:VAL_14:HG1*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:VAL_14:HG2*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:VAL_15:HN        1:VAL_15:HB        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_15:HN        1:VAL_15:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HN        1:VAL_15:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_15:HA        1:VAL_15:HG1*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:VAL_15:HA        1:VAL_15:HG2*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:LEU_16:HN        1:LEU_16:HD1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:LEU_16:HN        1:LEU_16:HD2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:LEU_16:HA        1:LEU_16:HD1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:LEU_16:HA        1:LEU_16:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_20:HN        1:VAL_20:HG1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_20:HN        1:VAL_20:HG2*      -1.000  3.900  3.900 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_22:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_22:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:VAL_22:HG1*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:VAL_22:HG2*      -1.000  3.700  3.700 50.00 50.00 1000.000  0.00
1:GLU_2:HA         1:ALA_3:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_3:HA         1:GLY_4:HN         -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:GLY_4:HA1        1:ALA_5:HN         -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:GLY_4:HA2        1:ALA_5:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_5:HA         1:VAL_6:HN         -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_6:HA         1:ASN_7:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:ASP_8:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_8:HA         1:ASP_9:HN         -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_9:HA         1:THR_10:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HA        1:PHE_11:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_11:HA        1:LYS_12:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_12:HA        1:ASN_13:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_13:HA        1:VAL_14:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:VAL_15:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_15:HA        1:LEU_16:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_16:HA        1:GLU_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_17:HA        1:SER_18:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:SER_19:HA        1:VAL_20:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_20:HA        1:PRO_21:HD1       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_20:HA        1:PRO_21:HD2       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:PRO_21:HA        1:VAL_22:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:LEU_23:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:LEU_23:HA        1:VAL_24:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_24:HA        1:ASP_25:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:TRP_27:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:ALA_28:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_28:HA        1:PRO_29:HD1       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:ALA_28:HA        1:PRO_29:HD2       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:PRO_29:HA        1:TRP_30:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HA        1:CYS_31:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_33:HA        1:CYS_34:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_34:HA        1:ARG_35:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_35:HA        1:ILE_36:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HA        1:ILE_37:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_37:HA        1:ALA_38:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_39:HA        1:VAL_40:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_40:HA        1:VAL_41:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_41:HA        1:ASP_42:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_42:HA        1:GLU_43:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_43:HA        1:ILE_44:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HA        1:ALA_45:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_45:HA        1:GLY_46:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_46:HA*       1:GLU_47:HN        -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:GLU_47:HA        1:TYR_48:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HA        1:LYS_49:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_49:HA        1:ASP_50:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_50:HA        1:LYS_51:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_51:HA        1:LEU_52:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LEU_52:HA        1:LYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_53:HA        1:CYS_54:HN       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:VAL_55:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:VAL_55:HA        1:LYS_56:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:LYS_56:HA        1:LEU_57:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:LEU_57:HA        1:ASN_58:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:ASN_58:HA        1:THR_59:HN        -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:THR_59:HA        1:ASP_60:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_60:HA        1:GLU_61:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_61:HA        1:SER_62:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_62:HA        1:PRO_63:HD1       -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:SER_62:HA        1:PRO_63:HD2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PRO_63:HA        1:ASN_64:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HA        1:VAL_65:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
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1:GLU_61:HB1       1:SER_62:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
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1:TYR_69:HB1       1:GLY_70:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
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1:LYS_81:HB1       1:GLY_82:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
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1:LYS_84:HB1       1:LYS_85:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
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1:GLU_103:HB1      1:LYS_104:HN       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
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1:TYR_105:HB1      1:LEU_106:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
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1:LYS_49:HG*       1:ASP_50:HN        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
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1:LEU_52:HG        1:LYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_53:HG*       1:CYS_54:HN       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG1*      1:LYS_56:HN        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
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1:LYS_49:HA        1:LEU_52:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HA        1:SER_62:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_63:HD1       1:ALA_66:HN        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_64:HA        1:SER_67:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_66:HA        1:TYR_69:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_95:HA        1:ILE_98:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_96:HA        1:VAL_99:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_98:HA        1:THR_101:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_99:HA        1:VAL_102:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HA       1:GLU_103:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_102:HA       1:TYR_105:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HA       1:LEU_106:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HA        1:ASN_13:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HA        1:ASN_13:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_11:HA        1:VAL_14:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_35:HA        1:ALA_38:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_38:HA        1:VAL_41:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_39:HA        1:ASP_42:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_39:HA        1:ASP_42:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_41:HA        1:ILE_44:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_42:HA        1:ALA_45:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PRO_63:HA        1:ALA_66:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_64:HA        1:SER_67:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_95:HA        1:ILE_98:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HA        1:GLN_100:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HA        1:GLN_100:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_98:HA        1:THR_101:HB       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HA       1:GLU_103:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HA       1:GLU_103:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HA       1:LYS_104:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HA       1:LYS_104:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_102:HA       1:TYR_105:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_102:HA       1:TYR_105:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HA       1:LEU_106:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HA       1:LEU_106:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HA        1:VAL_14:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_38:HA        1:ASP_42:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_39:HA        1:GLU_43:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_40:HA        1:ILE_44:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_65:HA        1:TYR_69:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_95:HA        1:VAL_99:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
!
1:GLY_4:HN         1:VAL_55:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_5:HA         1:LYS_56:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:LYS_56:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:LEU_57:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:LEU_57:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_21:HA        1:LYS_81:HA        -1.000  2.700  2.700 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:LYS_81:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:LYS_53:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:CYS_54:HN       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:PHE_80:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LEU_23:HA        1:PHE_80:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HA        1:VAL_79:HA        -1.000  2.700  2.700 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LYS_53:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:CYS_54:HA       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:VAL_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HA        1:CYS_54:HA       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:VAL_79:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:MET_78:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:VAL_55:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:LYS_56:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:LEU_57:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_25:HA        1:MET_78:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HA        1:ILE_77:HA        -1.000  2.700  2.700 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:ILE_77:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:THR_76:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:LEU_57:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:LEU_57:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:ASN_58:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:THR_59:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_28:HA        1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_28:HA        1:THR_59:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_87:HN        1:VAL_79:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_88:HA        1:VAL_79:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HA        1:MET_78:HA        -1.000  2.700  2.700 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:MET_78:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_77:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_90:HA        1:ILE_77:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_90:HA        1:THR_76:HA        -1.000  2.700  2.700 50.00 50.00 1000.000  0.00
1:GLY_91:HN        1:THR_76:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:PHE_80:HZ        -1.000  3.300  3.300 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:PHE_80:HE*       -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:PHE_80:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:PHE_26:HZ        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:PHE_26:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:TYR_69:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:TYR_69:HE*       -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_80:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_26:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_80:HE*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_26:HE*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:PHE_26:HD*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:PHE_80:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:TYR_69:HD*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:PHE_80:HZ        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:PHE_11:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:TYR_69:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:TYR_69:HD*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:TYR_69:HE*       -1.000  7.300  7.300 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:PHE_11:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:PHE_80:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:PHE_80:HE*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:PHE_80:HD*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:PHE_80:HE*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:PHE_80:HZ        1:TYR_69:HE*       -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:PHE_80:HZ        1:PHE_26:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:TYR_69:HD*       -1.000  9.000  9.000 50.00 50.00 1000.000  0.00
1:ALA_3:HN         1:ASP_42:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:SER_62:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:LEU_57:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:LEU_57:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:THR_10:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:THR_10:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:SER_62:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:ASP_9:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:THR_10:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_6:HG2*       1:VAL_55:HG1*      -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:VAL_6:HG2*       1:PHE_11:HD*       -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:VAL_6:HG2*       1:PHE_11:HE*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:VAL_6:HG2*       1:PHE_11:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_6:HB         1:PHE_11:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ALA_3:HN         1:ALA_45:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLY_4:HN         1:VAL_55:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:PHE_11:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:SER_62:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:SER_62:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_9:HN         1:ASN_7:HB2        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_9:HN         1:THR_10:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:ASN_7:HD21       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:ASN_7:HD22       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:LEU_57:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_8:HA         1:LYS_12:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_4:HN         1:VAL_14:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLY_4:HN         1:VAL_55:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:THR_10:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:VAL_14:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HN        1:VAL_6:HG2*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HA        1:VAL_15:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HA        1:VAL_15:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HB2       1:VAL_6:HG2*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:VAL_65:HG1*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_65:HG1*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_65:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_24:HG1*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_24:HG2*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LEU_57:HD2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:VAL_15:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_15:HG1*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:VAL_15:HG2*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_15:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_24:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:LEU_16:HD1*      -1.000  6.300  6.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:LEU_16:HD2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LEU_16:HG        -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:LEU_16:HG        -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:LYS_12:HN        1:VAL_14:HN        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_12:HN        1:VAL_15:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_12:HN        1:LEU_16:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_12:HA        1:LEU_16:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_12:HA        1:LEU_16:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_12:HA        1:GLU_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_13:HA        1:GLU_17:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:THR_10:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:ASN_13:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:ASN_13:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:SER_18:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HA        1:SER_18:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_1:HG1       1:MET_1:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_2:HG*        1:MET_1:HG1       -1.000  4.300  4.300 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:TRP_27:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_3:HB*        1:GLU_2:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_5:HA         1:VAL_55:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_6:HA         1:THR_10:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_6:HG2*       1:VAL_6:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_6:HG1*       1:VAL_6:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_6:HG1*       1:VAL_24:HA        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:ASP_8:HA         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:GLU_61:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HA         1:SER_62:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HB2        1:SER_62:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_8:HA         1:VAL_65:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_9:HB1        1:ASP_9:HA         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HG2*      1:VAL_6:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_10:HG2*      1:ASP_9:HB2        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_10:HG2*      1:ASN_7:HB1        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_10:HB        1:VAL_14:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LYS_12:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HA        1:LYS_12:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LYS_12:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LYS_12:HB1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:LYS_12:HG1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LEU_57:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LEU_16:HD2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:VAL_65:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:VAL_65:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_65:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_15:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:ASP_8:HA         -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HE*       1:LYS_12:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LYS_12:HG2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LYS_12:HB1       1:ASN_13:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HG2*      1:VAL_6:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_14:HG2*      1:ASN_13:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_14:HG1*      1:THR_10:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_14:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG1*      1:PHE_80:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG1*      1:VAL_22:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_14:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HB        1:LEU_16:HG        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_22:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG1*      1:VAL_22:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_15:HB        1:VAL_14:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_14:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_6:HG2*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_15:HG2*      1:VAL_55:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LEU_16:HG        1:LEU_16:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_16:HG        1:LYS_12:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_16:HD1*      1:LYS_12:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_16:HD1*      1:LYS_12:HE*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_17:HB1       1:ASN_13:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_18:HA        1:SER_19:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_20:HA        1:SER_19:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_20:HG1*      1:LYS_51:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_20:HG2*      1:PRO_21:HD2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_20:HA        1:VAL_20:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_22:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_22:HA        1:LEU_23:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HA        1:LEU_23:HG        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HG2*      1:VAL_24:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_24:HG1*      1:VAL_24:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:VAL_24:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:LEU_23:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:LEU_23:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:VAL_24:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:LEU_23:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:ASP_25:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:PHE_26:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:TYR_69:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:ALA_66:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:PHE_26:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:MET_78:HG2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:MET_78:HG1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:VAL_24:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:MET_78:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ALA_66:HB*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:ALA_66:HB*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:THR_76:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_74:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:LEU_57:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:VAL_65:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:VAL_65:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:VAL_24:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:VAL_24:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:ILE_71:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_71:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:ILE_71:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:PHE_26:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:TYR_69:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:TYR_69:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:LEU_57:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HA        1:ILE_74:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:MET_78:HG2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TRP_27:HD1       1:PHE_26:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HH2       1:PRO_29:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:PRO_29:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ3       1:PRO_29:HA        -1.000  3.300  3.300 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HD1       1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:CYS_34:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:CYS_34:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:ALA_28:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:CYS_31:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HH2       1:PRO_29:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ3       1:PRO_29:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ASN_58:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ3       1:PRO_29:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:ILE_74:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HD1       1:LYS_56:HB*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:ALA_28:HB*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ3       1:ALA_28:HB*       -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:ILE_74:HD1*      -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HD1       1:LEU_57:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ALA_28:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:CYS_31:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:PRO_29:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HA        1:CYS_34:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:CYS_34:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:CYS_34:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ3       1:ALA_28:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_28:HB*       1:CYS_31:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PRO_29:HG1       1:ALA_28:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ3       1:CYS_31:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:CYS_31:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:ALA_28:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:ALA_28:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:ILE_74:HD1*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TRP_30:HH2       1:ILE_74:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ3       1:ILE_74:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:CYS_31:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:ILE_74:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:CYS_31:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_33:HD2       1:GLY_32:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_33:HD1       1:GLY_32:HA1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HG2*      1:ARG_35:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_36:HG11      1:GLY_32:HA1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HG2*      1:ILE_36:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_36:HG11      1:ILE_36:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HD1*      1:PRO_33:HA        -1.000  6.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_37:HG2*      1:ILE_37:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_37:HD1*      1:ILE_37:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_37:HD1*      1:ALA_92:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_40:HG2*      1:VAL_40:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_40:HG1*      1:VAL_40:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_40:HG1*      1:VAL_41:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_40:HG1*      1:PRO_39:HD1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_41:HG1*      1:ALA_38:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_41:HG2*      1:VAL_41:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_41:HG1*      1:VAL_41:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_44:HG2*      1:ALA_45:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_44:HA        1:GLU_43:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HG11      1:ILE_44:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HG2*      1:ILE_44:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_44:HG11      1:LYS_95:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HG2*      1:GLU_43:HG2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ILE_44:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ILE_44:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_45:HB*       1:ILE_44:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_45:HN        1:ALA_45:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_45:HB*       1:ALA_3:HA         -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLY_46:HA*       1:LYS_49:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_47:HB2       1:TYR_48:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_47:HG1       1:GLU_47:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_47:HB2       1:ILE_44:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:GLU_47:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:LYS_51:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:GLU_47:HG1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:LYS_51:HB1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:GLU_47:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:GLU_47:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:VAL_99:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:VAL_99:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:ILE_44:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:ILE_44:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:VAL_102:HG1*     -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:ILE_44:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:VAL_99:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:GLU_47:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LYS_51:HB1       1:PRO_21:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HB1       1:TYR_48:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:TYR_48:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HB2       1:TYR_48:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:TYR_48:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:LYS_51:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:VAL_102:HG2*     -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:VAL_79:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:VAL_102:HG1*     -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LEU_52:HD1*      1:PRO_21:HG1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:LYS_53:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_53:HA        1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:VAL_20:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:VAL_55:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HB2      1:ALA_45:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HB1      1:ALA_45:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:ALA_3:HA         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:VAL_55:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:VAL_41:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:LYS_53:HD*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_54:HA       1:LEU_23:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG1*      1:VAL_24:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG2*      1:GLY_4:HA2        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG2*      1:GLY_4:HA1        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HA        1:LYS_56:HE*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_55:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG2*      1:LYS_56:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG2*      1:VAL_6:HG2*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_55:HG2*      1:VAL_6:HG1*       -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:VAL_55:HG1*      1:VAL_24:HG2*      -1.000  5.300  5.300 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_55:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_24:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HA        1:VAL_55:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HA        1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_55:HA        1:ALA_3:HB*        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_56:HD*       1:TRP_27:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_56:HA        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HD2*      1:LEU_57:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HD2*      1:ASN_58:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HB2       1:SER_62:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_57:HD1*      1:SER_62:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HD2*      1:THR_59:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HD1*      1:PHE_11:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HA        1:ASN_58:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:LEU_57:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_57:HA        1:LEU_57:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_59:HG2*      1:ASP_60:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_59:HG2*      1:PRO_63:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_59:HA        1:SER_62:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HG2*      1:ALA_66:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_59:HG2*      1:ASP_60:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_60:HB2       1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_61:HB2       1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_62:HA        1:GLU_61:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG1*      1:ASN_64:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG2*      1:ALA_66:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG1*      1:VAL_65:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG2*      1:VAL_65:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG1*      1:ASN_64:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG2*      1:VAL_65:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_65:HG2*      1:ALA_66:HB*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ALA_66:HB*       1:THR_59:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_66:HB*       1:ALA_66:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_66:HB*       1:TYR_69:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:SER_67:HB*       1:SER_67:HA        -1.000  4.300  4.300 50.00 50.00 1000.000  0.00
1:GLU_68:HB2       1:TYR_69:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HB1       1:TYR_69:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HB2       1:GLU_68:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HB1       1:GLU_68:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HB1       1:VAL_65:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:ALA_66:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:GLU_68:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:GLU_68:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:LYS_85:HD1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:GLU_68:HB1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:VAL_65:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:VAL_65:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:ILE_71:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:GLY_70:HA1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:LYS_84:HD*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HE*       1:LEU_16:HD2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:ILE_71:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HG11      1:GLY_70:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:PHE_26:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:TYR_69:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:ILE_71:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:ALA_66:HB*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ILE_71:HG2*      1:THR_76:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:THR_76:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:ILE_71:HG11      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HD1*      1:VAL_65:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ARG_72:HG1       1:ARG_72:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_72:HG2       1:SER_73:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_72:HB1       1:ARG_72:HD*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_72:HG1       1:ARG_72:HD*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_72:HG2       1:ARG_72:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_73:HB1       1:SER_73:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_74:HG2*      1:SER_73:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HG11      1:ILE_74:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ILE_74:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:THR_59:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:CYS_31:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:CYS_31:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ILE_74:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ILE_74:HG12      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:THR_59:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ILE_74:HG11      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ILE_74:HG2*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ILE_74:HD1*      1:ALA_28:HB*       -1.000  5.300  3.300 50.00 50.00 1000.000  0.00
1:ILE_74:HG11      1:THR_59:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_75:HG1       1:ILE_90:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_75:HG2       1:ALA_92:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_75:HD2       1:PRO_33:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PRO_75:HA        1:THR_76:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_76:HG2*      1:ILE_90:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_76:HA        1:ILE_90:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_76:HA        1:ILE_90:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_77:HN        1:ILE_89:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_77:HA        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_77:HA        1:ASP_25:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HE*       1:TYR_69:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:MET_78:HB2       1:MET_78:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HB2       1:MET_78:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HA        1:MET_78:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HN        1:VAL_24:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:MET_78:HN        1:ILE_77:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_79:HB        1:GLU_87:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG1*      1:VAL_102:HA       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG2*      1:PHE_80:HB1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG2*      1:PRO_21:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG2*      1:LYS_81:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG2*      1:LEU_23:HG        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG1*      1:VAL_79:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HG1*      1:THR_101:HG2*     -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_79:HN        1:VAL_79:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HN        1:VAL_79:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HA        1:VAL_79:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HA        1:VAL_79:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HA        1:MET_78:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:VAL_79:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:LYS_84:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:LYS_81:HE*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_80:HA        1:LYS_81:HE*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:VAL_24:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:MET_78:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:VAL_22:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:MET_78:HE*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_80:HZ        1:LYS_85:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:LYS_85:HG*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:VAL_79:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:PHE_26:HZ        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HN        1:VAL_24:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:LYS_84:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HE*       1:MET_78:HG1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_80:HZ        1:VAL_15:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_81:HD*       1:GLY_82:HA1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_82:HA1       1:LYS_81:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_84:HG2       1:GLY_83:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_84:HA        1:GLY_83:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_84:HA        1:LYS_85:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_85:HE1       1:THR_88:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_87:HG1       1:TYR_105:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_87:HG2       1:TYR_105:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_87:HG1       1:CYS_86:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HA        1:MET_78:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HA        1:MET_78:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HA        1:ILE_89:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_89:HD1*      1:ILE_89:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_89:HG2*      1:THR_101:HB       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_89:HG2*      1:ILE_98:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_90:HG12      1:ILE_90:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_90:HG11      1:ILE_89:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_90:HA        1:ILE_90:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_92:HA        1:GLY_91:HA2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_92:HB*       1:PRO_75:HD2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_93:HG2*      1:PRO_94:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_93:HB        1:THR_97:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_93:HG1*      1:THR_97:HB        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_93:HG1*      1:PRO_94:HD2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_93:HG2*      1:LYS_95:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_93:HA        1:PRO_94:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_93:HG1*      1:VAL_93:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_95:HB2       1:PRO_94:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HG2*      1:PRO_94:HD2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_97:HG2*      1:PRO_94:HD1       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_97:HG2*      1:ILE_98:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_97:HB        1:VAL_93:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HG2*      1:VAL_93:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_98:HG2*      1:THR_101:HB       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_98:HG2*      1:ILE_98:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_99:HG2*      1:ALA_96:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_99:HG1*      1:GLN_100:HG2      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_101:HG2*     1:ILE_98:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:THR_101:HB       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:VAL_102:HA       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:ILE_98:HA        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:GLU_103:HG2      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:LEU_23:HB2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_102:HG1*     1:VAL_102:HB       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_103:HG1      1:GLU_103:HA       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_104:HD*      1:TYR_105:HB2      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_104:HG*      1:TYR_105:HB2      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_102:HA       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:LYS_104:HE*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:LYS_104:HE*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:LEU_106:HB2      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_79:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:THR_101:HG2*     -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:THR_101:HG2*     -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_79:HG2*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:GLU_87:HG2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:LYS_104:HB1      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:LYS_104:HG*      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:GLU_87:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:LEU_106:HD2*     1:LEU_106:HA       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_106:HG       1:LEU_106:HA       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_106:HG       1:TYR_105:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_106:HD1*     1:LEU_52:HB1       -1.000  4.300  4.300 50.00 50.00 1000.000  0.00
1:LEU_106:HD2*     1:TYR_105:HB2      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_3:HN         1:GLU_2:HB*        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_3:HN         1:GLY_4:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_3:HN         1:CYS_54:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_4:HN         1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:ASN_7:HN         -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_6:HN         1:LYS_56:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_7:HD21       1:SER_62:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HN         1:PHE_11:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_7:HD21       1:GLU_61:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_8:HN         1:ASP_8:HB1        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_9:HN         1:ASP_9:HB2        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASP_9:HN         1:ASP_9:HB1        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_10:HN        1:PHE_11:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_10:HN        1:THR_10:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_10:HN        1:PHE_11:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_11:HD*       1:LEU_16:HD1*      -1.000  7.500  7.500 50.00 50.00 1000.000  0.00
1:PHE_11:HZ        1:VAL_15:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_12:HN        1:LEU_16:HG        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_13:HN        1:ASN_13:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_13:HD22      1:GLU_17:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_13:HN        1:ASN_13:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_13:HD21      1:LYS_12:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_13:HN        1:VAL_14:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_13:HN        1:PHE_11:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:VAL_15:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_14:HN        1:LYS_12:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_15:HN        1:PHE_11:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_15:HN        1:VAL_14:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_16:HN        1:GLY_83:HA2       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_16:HN        1:LEU_16:HG        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_17:HN        1:GLU_17:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_17:HN        1:LEU_16:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:SER_18:HN        1:SER_18:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_18:HN        1:SER_18:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:PHE_80:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:LYS_53:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_79:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_22:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_22:HN        1:VAL_79:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LEU_23:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LEU_23:HG        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LEU_23:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LEU_23:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:VAL_22:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:VAL_55:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:CYS_54:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_23:HN        1:LYS_53:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_24:HN        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:VAL_55:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:LYS_56:HB*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:ASP_25:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASP_25:HN        1:ASP_25:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:PHE_26:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:ILE_77:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:PHE_26:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:THR_59:HG2*      -1.000  6.500  6.500 50.00 50.00 1000.000  0.00
1:PHE_26:HD*       1:ILE_77:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:ILE_77:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HN        1:PHE_26:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:VAL_65:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HE*       1:ILE_71:HG11      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:PHE_26:HZ        1:MET_78:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:TRP_27:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:TRP_27:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:TRP_27:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:TRP_27:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:TRP_27:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:ALA_28:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:LYS_56:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:TRP_27:HD1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:LYS_56:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE3       1:PRO_29:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:ASN_58:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:LYS_56:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:THR_59:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HE1       1:LYS_56:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_27:HN        1:LEU_57:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ASN_58:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HZ2       1:ASN_58:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_27:HD1       1:TRP_27:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_28:HN        1:ALA_28:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_28:HN        1:CYS_31:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:ILE_74:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:TRP_30:HH2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:TRP_30:HZ3       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:TRP_30:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:TRP_30:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:TRP_30:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HD1       1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:THR_59:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:TRP_30:HE3       1:CYS_31:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HZ2       1:THR_59:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TRP_30:HH2       1:ILE_74:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_31:HN        1:CYS_31:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_31:HN        1:PRO_29:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_31:HN        1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_31:HN        1:CYS_31:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_31:HN        1:TRP_30:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_34:HN        1:CYS_34:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_34:HN        1:CYS_34:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:CYS_34:HN        1:PRO_33:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_34:HN        1:CYS_34:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARG_35:HN        1:ARG_35:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ARG_35:HN        1:ARG_35:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARG_35:HN        1:ARG_35:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ARG_35:HN        1:ARG_35:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ARG_35:HN        1:PRO_33:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HN        1:ILE_36:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_36:HN        1:ILE_36:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_36:HN        1:ILE_36:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_36:HN        1:ILE_36:HG12      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_37:HN        1:ILE_37:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_37:HN        1:ALA_38:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_37:HN        1:ILE_37:HD1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ILE_37:HN        1:ILE_36:HD1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ILE_37:HN        1:ILE_37:HG12      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_38:HN        1:CYS_34:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_38:HN        1:ALA_38:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ALA_38:HN        1:VAL_41:HG1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ALA_38:HN        1:VAL_41:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_38:HN        1:PRO_39:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_40:HN        1:VAL_40:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_40:HN        1:VAL_40:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:VAL_41:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:VAL_41:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:PRO_39:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:ILE_37:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:ALA_38:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_41:HN        1:VAL_41:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ASP_42:HN        1:VAL_40:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ILE_44:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ILE_44:HG12      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ASP_42:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ASP_42:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:ILE_44:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_44:HN        1:VAL_40:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_45:HN        1:VAL_41:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_46:HN        1:GLU_43:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_46:HN        1:GLU_47:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_46:HN        1:GLU_2:HB*        -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_47:HN        1:ALA_45:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_47:HN        1:GLU_47:HG1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_47:HN        1:GLU_43:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_47:HN        1:GLU_47:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_48:HN        1:TYR_48:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:ALA_45:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HE*       1:VAL_99:HB        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:ILE_44:HG12      -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_48:HD*       1:LEU_52:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:LYS_51:HN        1:LYS_51:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_51:HN        1:TYR_48:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_51:HN        1:LYS_51:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_51:HN        1:LYS_51:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LEU_52:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LEU_52:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LYS_51:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:TYR_48:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:ASP_50:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LEU_52:HG        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:VAL_20:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LEU_52:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_52:HN        1:LEU_52:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:LYS_53:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:PRO_21:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:VAL_22:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:LYS_53:HN        1:LEU_52:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:CYS_54:HN       1:CYS_54:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:LEU_23:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_41:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_55:HN        1:VAL_55:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_56:HN        1:LYS_56:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_56:HN        1:VAL_6:HG1*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_56:HN        1:LYS_56:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_56:HN        1:LYS_56:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:TRP_27:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:LEU_57:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:LEU_57:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LEU_57:HN        1:LYS_56:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:TRP_27:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HD22      1:TRP_27:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:LEU_57:HD2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HD21      1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:ASN_58:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ASN_58:HD21      1:ASN_58:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:LEU_57:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:ASN_58:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HD22      1:PRO_29:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HD22      1:ASN_58:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:TRP_27:HZ2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_58:HN        1:TRP_27:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:ASN_58:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:PHE_26:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:ASN_58:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:THR_59:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:ASN_58:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:ASP_60:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:THR_59:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:THR_59:HN        1:ALA_28:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_60:HN        1:ALA_28:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASP_60:HN        1:PRO_63:HD2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_61:HN        1:GLU_61:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_61:HN        1:GLU_61:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_62:HN        1:SER_62:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_62:HN        1:ASN_58:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_62:HN        1:SER_62:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HN        1:ASN_64:HD21      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HD21      1:ASN_64:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HN        1:ASN_64:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HD22      1:ASN_64:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HN        1:ASN_64:HD22      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_64:HD22      1:ASP_8:HB2        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_65:HN        1:VAL_65:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_65:HN        1:VAL_65:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_66:HN        1:ALA_66:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ALA_66:HN        1:ASN_64:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:SER_67:HN        1:GLU_68:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:SER_67:HN        1:SER_67:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:GLU_68:HN        1:TYR_69:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:GLU_68:HN        1:ASN_64:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HN        1:VAL_65:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HN        1:GLU_68:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_68:HN        1:GLY_70:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:GLU_68:HB1       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:LYS_85:HG*       -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:VAL_65:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:VAL_65:HA        -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_69:HN        1:GLU_68:HG*       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_69:HD*       1:MET_78:HB2       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:GLY_70:HN        1:ALA_66:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_70:HN        1:SER_67:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ILE_71:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ILE_71:HG12      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:SER_67:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ALA_66:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ILE_71:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ILE_71:HG11      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_71:HN        1:ILE_71:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_74:HN        1:ILE_74:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_74:HN        1:PRO_75:HD1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_76:HN        1:THR_76:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_76:HN        1:PHE_26:HD*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:THR_76:HN        1:ILE_74:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_76:HN        1:THR_76:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_76:HN        1:PHE_26:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_77:HN        1:ILE_89:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HN        1:MET_78:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:MET_78:HN        1:VAL_24:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:MET_78:HN        1:PHE_26:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:VAL_79:HN        1:LYS_85:HG*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_79:HN        1:VAL_79:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HN        1:PHE_80:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HN        1:PHE_80:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HN        1:VAL_22:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HZ        1:MET_78:HB2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:PHE_80:HN        1:VAL_79:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:PHE_80:HD*       1:VAL_24:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:LYS_81:HN        1:LYS_85:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_81:HN        1:LYS_81:HB1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_81:HN        1:CYS_86:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_82:HN        1:PRO_21:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_82:HN        1:LYS_81:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLY_83:HN        1:GLY_83:HA1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLY_83:HN        1:LYS_84:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_84:HN        1:LYS_84:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_85:HN        1:LYS_85:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_85:HN        1:PHE_80:HE*       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:CYS_86:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:LYS_85:HE1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:CYS_86:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:LYS_81:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:LYS_81:HD*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:CYS_86:HN       1:PHE_80:HA        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_87:HN        1:LYS_85:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_87:HN        1:GLU_87:HG1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_87:HN        1:GLU_87:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_87:HN        1:VAL_79:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HN        1:GLU_87:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_88:HN        1:ILE_89:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_89:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_89:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_89:HG12      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_89:HG11      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_89:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ILE_89:HN        1:ILE_90:HN        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_90:HN        1:ILE_90:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_92:HN        1:ALA_92:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ALA_92:HN        1:PRO_33:HG1       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_92:HN        1:PRO_75:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_93:HN        1:VAL_93:HG1*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:LYS_95:HN        1:LYS_95:HB2       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_95:HN        1:LYS_95:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_95:HN        1:ILE_98:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_95:HN        1:VAL_40:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_95:HN        1:ALA_96:HN        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_96:HN        1:PRO_94:HB1       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:ALA_96:HN        1:ALA_96:HB*       -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:ALA_96:HN        1:LYS_95:HG2       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ALA_96:HN        1:VAL_40:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ALA_96:HN        1:PRO_94:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HN        1:THR_97:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HN        1:THR_97:HG2*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_97:HN        1:LYS_95:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_97:HN        1:VAL_93:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_98:HN        1:ILE_98:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ILE_98:HN        1:ILE_98:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_99:HN        1:VAL_99:HB        -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_99:HN        1:VAL_99:HG2*      -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_99:HN        1:ALA_96:HB*       -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_99:HN        1:VAL_99:HG1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:VAL_99:HN        1:ILE_44:HD1*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLN_100:HN       1:GLN_100:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HN       1:ALA_96:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HN       1:GLN_100:HG2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HE21     1:GLN_100:HG2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HE21     1:GLN_100:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLN_100:HE22     1:GLN_100:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:VAL_99:HB        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:THR_101:HB       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:THR_101:HG2*     -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:VAL_102:HB       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:VAL_102:HG1*     -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:THR_101:HN       1:GLN_100:HE21     -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:VAL_102:HN       1:VAL_102:HB       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:VAL_102:HN       1:VAL_102:HG2*     -1.000  4.500  4.500 50.00 50.00 1000.000  0.00
1:VAL_102:HN       1:VAL_102:HG1*     -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:GLU_103:HN       1:GLU_103:HB1      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:GLU_103:HN       1:VAL_99:HA        -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HN       1:GLU_103:HG2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HN       1:GLU_103:HG1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:GLU_103:HN       1:GLU_103:HB2      -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:LYS_104:HN       1:LYS_104:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_104:HN       1:LYS_104:HG*      -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:LYS_104:HN       1:GLN_100:HA       -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:LYS_104:HN       1:GLU_103:HA       -1.000  3.500  3.500 50.00 50.00 1000.000  0.00
1:TYR_105:HN       1:TYR_105:HB2      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_79:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HN       1:TYR_105:HB1      -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:VAL_102:HA       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:ILE_89:HD1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_102:HG1*     -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HE*      1:VAL_79:HG1*      -1.000  8.000  8.000 50.00 50.00 1000.000  0.00
1:TYR_105:HD*      1:VAL_102:HB       -1.000  7.000  7.000 50.00 50.00 1000.000  0.00
1:ASN_107:HN      1:LEU_106:HD2*     -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_107:HN      1:ASN_107:HB2     -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
1:ASN_107:HN      1:LEU_106:HD1*     -1.000  6.000  6.000 50.00 50.00 1000.000  0.00
1:ASN_107:HD22    1:ASN_107:HD21    -1.000  2.900  2.900 50.00 50.00 1000.000  0.00
1:ASN_107:HD22    1:ASN_107:HB2     -1.000  5.000  5.000 50.00 50.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:GLY_4:C          1:ALA_5:N          1:ALA_5:CA         1:ALA_5:C          -160.000 -80.000 200.00 200.00 1000.000
1:ALA_5:C          1:VAL_6:N          1:VAL_6:CA         1:VAL_6:C          -160.000 -80.000 200.00 200.00 1000.000
1:VAL_6:C          1:ASN_7:N          1:ASN_7:CA         1:ASN_7:C          -160.000 -80.000 200.00 200.00 1000.000
1:ASN_7:C          1:ASP_8:N          1:ASP_8:CA         1:ASP_8:C          -90.000 -40.000 200.00 200.00 1000.000
1:THR_10:C         1:PHE_11:N         1:PHE_11:CA        1:PHE_11:C         -90.000 -40.000 200.00 200.00 1000.000
1:PHE_11:C         1:LYS_12:N         1:LYS_12:CA        1:LYS_12:C         -90.000 -40.000 200.00 200.00 1000.000
1:LYS_12:C         1:ASN_13:N         1:ASN_13:CA        1:ASN_13:C         -90.000 -40.000 200.00 200.00 1000.000
1:VAL_14:C         1:VAL_15:N         1:VAL_15:CA        1:VAL_15:C         -160.000 -80.000 200.00 200.00 1000.000
1:VAL_15:C         1:LEU_16:N         1:LEU_16:CA        1:LEU_16:C         -90.000 -40.000 200.00 200.00 1000.000
1:LEU_16:C         1:GLU_17:N         1:GLU_17:CA        1:GLU_17:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLU_17:C         1:SER_18:N         1:SER_18:CA        1:SER_18:C         -90.000 -40.000 200.00 200.00 1000.000
1:SER_18:C         1:SER_19:N         1:SER_19:CA        1:SER_19:C         -160.000 -80.000 200.00 200.00 1000.000
1:SER_19:C         1:VAL_20:N         1:VAL_20:CA        1:VAL_20:C         -160.000 -80.000 200.00 200.00 1000.000
1:PRO_21:C         1:VAL_22:N         1:VAL_22:CA        1:VAL_22:C         -160.000 -80.000 200.00 200.00 1000.000
1:VAL_22:C         1:LEU_23:N         1:LEU_23:CA        1:LEU_23:C         -160.000 -80.000 200.00 200.00 1000.000
1:LEU_23:C         1:VAL_24:N         1:VAL_24:CA        1:VAL_24:C         -160.000 -80.000 200.00 200.00 1000.000
1:VAL_24:C         1:ASP_25:N         1:ASP_25:CA        1:ASP_25:C         -160.000 -80.000 200.00 200.00 1000.000
1:ASP_25:C         1:PHE_26:N         1:PHE_26:CA        1:PHE_26:C         -160.000 -80.000 200.00 200.00 1000.000
1:PHE_26:C         1:TRP_27:N         1:TRP_27:CA        1:TRP_27:C         -160.000 -80.000 200.00 200.00 1000.000
1:PRO_33:C         1:CYS_34:N         1:CYS_34:CA        1:CYS_34:C         -90.000 -40.000 200.00 200.00 1000.000
1:CYS_34:C         1:ARG_35:N         1:ARG_35:CA        1:ARG_35:C         -90.000 -40.000 200.00 200.00 1000.000
1:ARG_35:C         1:ILE_36:N         1:ILE_36:CA        1:ILE_36:C         -90.000 -40.000 200.00 200.00 1000.000
1:ILE_36:C         1:ILE_37:N         1:ILE_37:CA        1:ILE_37:C         -90.000 -40.000 200.00 200.00 1000.000
1:ILE_37:C         1:ALA_38:N         1:ALA_38:CA        1:ALA_38:C         -90.000 -40.000 200.00 200.00 1000.000
1:VAL_40:C         1:VAL_41:N         1:VAL_41:CA        1:VAL_41:C         -90.000 -40.000 200.00 200.00 1000.000
1:VAL_41:C         1:ASP_42:N         1:ASP_42:CA        1:ASP_42:C         -90.000 -40.000 200.00 200.00 1000.000
1:ASP_42:C         1:GLU_43:N         1:GLU_43:CA        1:GLU_43:C         -90.000 -40.000 200.00 200.00 1000.000
1:GLU_43:C         1:ILE_44:N         1:ILE_44:CA        1:ILE_44:C         -90.000 -40.000 200.00 200.00 1000.000
1:ILE_44:C         1:ALA_45:N         1:ALA_45:CA        1:ALA_45:C         -90.000 -40.000 200.00 200.00 1000.000
1:GLY_46:C         1:GLU_47:N         1:GLU_47:CA        1:GLU_47:C         -90.000 -40.000 200.00 200.00 1000.000
1:GLU_47:C         1:TYR_48:N         1:TYR_48:CA        1:TYR_48:C         -160.000 -80.000 200.00 200.00 1000.000
1:TYR_48:C         1:LYS_49:N         1:LYS_49:CA        1:LYS_49:C         -90.000 -40.000 200.00 200.00 1000.000
1:ASP_50:C         1:LYS_51:N         1:LYS_51:CA        1:LYS_51:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYS_51:C         1:LEU_52:N         1:LEU_52:CA        1:LEU_52:C         -160.000 -80.000 200.00 200.00 1000.000
1:LEU_52:C         1:LYS_53:N         1:LYS_53:CA        1:LYS_53:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYS_53:C         1:CYS_54:N        1:CYS_54:CA       1:CYS_54:C        -160.000 -80.000 200.00 200.00 1000.000
1:CYS_54:C        1:VAL_55:N         1:VAL_55:CA        1:VAL_55:C         -160.000 -80.000 200.00 200.00 1000.000
1:VAL_55:C         1:LYS_56:N         1:LYS_56:CA        1:LYS_56:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYS_56:C         1:LEU_57:N         1:LEU_57:CA        1:LEU_57:C         -160.000 -80.000 200.00 200.00 1000.000
1:ASP_60:C         1:GLU_61:N         1:GLU_61:CA        1:GLU_61:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLU_61:C         1:SER_62:N         1:SER_62:CA        1:SER_62:C         -160.000 -80.000 200.00 200.00 1000.000
1:ASN_64:C         1:VAL_65:N         1:VAL_65:CA        1:VAL_65:C         -90.000 -40.000 200.00 200.00 1000.000
1:VAL_65:C         1:ALA_66:N         1:ALA_66:CA        1:ALA_66:C         -90.000 -40.000 200.00 200.00 1000.000
1:SER_67:C         1:GLU_68:N         1:GLU_68:CA        1:GLU_68:C         -90.000 -40.000 200.00 200.00 1000.000
1:GLU_68:C         1:TYR_69:N         1:TYR_69:CA        1:TYR_69:C         -160.000 -80.000 200.00 200.00 1000.000
1:ILE_71:C         1:ARG_72:N         1:ARG_72:CA        1:ARG_72:C         -160.000 -80.000 200.00 200.00 1000.000
1:SER_73:C         1:ILE_74:N         1:ILE_74:CA        1:ILE_74:C         -160.000 -80.000 200.00 200.00 1000.000
1:PRO_75:C         1:THR_76:N         1:THR_76:CA        1:THR_76:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_76:C         1:ILE_77:N         1:ILE_77:CA        1:ILE_77:C         -160.000 -80.000 200.00 200.00 1000.000
1:ILE_77:C         1:MET_78:N         1:MET_78:CA        1:MET_78:C         -160.000 -80.000 200.00 200.00 1000.000
1:MET_78:C         1:VAL_79:N         1:VAL_79:CA        1:VAL_79:C         -160.000 -80.000 200.00 200.00 1000.000
1:VAL_79:C         1:PHE_80:N         1:PHE_80:CA        1:PHE_80:C         -160.000 -80.000 200.00 200.00 1000.000
1:GLY_83:C         1:LYS_84:N         1:LYS_84:CA        1:LYS_84:C         -160.000 -80.000 200.00 200.00 1000.000
1:LYS_84:C         1:LYS_85:N         1:LYS_85:CA        1:LYS_85:C         -90.000 -40.000 200.00 200.00 1000.000
1:LYS_85:C         1:CYS_86:N        1:CYS_86:CA       1:CYS_86:C        -160.000 -80.000 200.00 200.00 1000.000
1:GLU_87:C         1:THR_88:N         1:THR_88:CA        1:THR_88:C         -160.000 -80.000 200.00 200.00 1000.000
1:THR_88:C         1:ILE_89:N         1:ILE_89:CA        1:ILE_89:C         -160.000 -80.000 200.00 200.00 1000.000
1:ILE_89:C         1:ILE_90:N         1:ILE_90:CA        1:ILE_90:C         -160.000 -80.000 200.00 200.00 1000.000
1:ALA_92:C         1:VAL_93:N         1:VAL_93:CA        1:VAL_93:C         -160.000 -80.000 200.00 200.00 1000.000
1:PRO_94:C         1:LYS_95:N         1:LYS_95:CA        1:LYS_95:C         -90.000 -40.000 200.00 200.00 1000.000
1:LYS_95:C         1:ALA_96:N         1:ALA_96:CA        1:ALA_96:C         -90.000 -40.000 200.00 200.00 1000.000
1:ILE_98:C         1:VAL_99:N         1:VAL_99:CA        1:VAL_99:C         -90.000 -40.000 200.00 200.00 1000.000
1:VAL_99:C         1:GLN_100:N        1:GLN_100:CA       1:GLN_100:C        -90.000 -40.000 200.00 200.00 1000.000
1:GLN_100:C        1:THR_101:N        1:THR_101:CA       1:THR_101:C        -90.000 -40.000 200.00 200.00 1000.000
1:VAL_102:C        1:GLU_103:N        1:GLU_103:CA       1:GLU_103:C        -90.000 -40.000 200.00 200.00 1000.000
1:GLU_103:C        1:LYS_104:N        1:LYS_104:CA       1:LYS_104:C        -90.000 -40.000 200.00 200.00 1000.000
!
1:VAL_6:HA         1:VAL_6:CA         1:VAL_6:CB         1:VAL_6:HB         -120.000 -1.000 50.00 50.00 1000.000
1:PHE_11:N         1:PHE_11:CA        1:PHE_11:CB        1:PHE_11:CG        120.000 -120.000 50.00 50.00 1000.000
1:VAL_14:HA        1:VAL_14:CA        1:VAL_14:CB        1:VAL_14:HB        120.000 -120.000 50.00 50.00 1000.000
1:VAL_15:HA        1:VAL_15:CA        1:VAL_15:CB        1:VAL_15:HB        120.000 -120.000 50.00 50.00 1000.000
1:LEU_16:N         1:LEU_16:CA        1:LEU_16:CB        1:LEU_16:CG        -120.000 -1.000 50.00 50.00 1000.000
1:LEU_16:CA        1:LEU_16:CB        1:LEU_16:CG        1:LEU_16:HG         1.000 120.000 50.00 50.00 1000.000
1:SER_19:N         1:SER_19:CA        1:SER_19:CB        1:SER_19:OG         1.000 120.000 50.00 50.00 1000.000
1:VAL_22:HA        1:VAL_22:CA        1:VAL_22:CB        1:VAL_22:HB        120.000 -120.000 50.00 50.00 1000.000
1:LEU_23:N         1:LEU_23:CA        1:LEU_23:CB        1:LEU_23:CG        120.000 -1.000 50.00 50.00 1000.000
1:ASP_25:N         1:ASP_25:CA        1:ASP_25:CB        1:ASP_25:CG        120.000 -120.000 50.00 50.00 1000.000
1:PHE_26:N         1:PHE_26:CA        1:PHE_26:CB        1:PHE_26:CG        -120.000 -1.000 50.00 50.00 1000.000
1:TRP_27:N         1:TRP_27:CA        1:TRP_27:CB        1:TRP_27:CG         1.000 120.000 50.00 50.00 1000.000
1:TRP_30:N         1:TRP_30:CA        1:TRP_30:CB        1:TRP_30:CG         1.000 120.000 50.00 50.00 1000.000
1:CYS_31:N         1:CYS_31:CA        1:CYS_31:CB        1:CYS_31:SG        120.000 -120.000 50.00 50.00 1000.000
1:CYS_34:N         1:CYS_34:CA        1:CYS_34:CB        1:CYS_34:SG        -120.000 -1.000 50.00 50.00 1000.000
1:ARG_35:N         1:ARG_35:CA        1:ARG_35:CB        1:ARG_35:CG        120.000 -1.000 50.00 50.00 1000.000
1:VAL_40:HA        1:VAL_40:CA        1:VAL_40:CB        1:VAL_40:HB        120.000 -120.000 50.00 50.00 1000.000
1:VAL_41:HA        1:VAL_41:CA        1:VAL_41:CB        1:VAL_41:HB        120.000 -120.000 50.00 50.00 1000.000
1:ILE_44:N         1:ILE_44:CA        1:ILE_44:CB        1:ILE_44:CG1       -120.000 -1.000 50.00 50.00 1000.000
1:GLU_47:N         1:GLU_47:CA        1:GLU_47:CB        1:GLU_47:CG        120.000 -1.000 50.00 50.00 1000.000
1:TYR_48:N         1:TYR_48:CA        1:TYR_48:CB        1:TYR_48:CG        -120.000 -1.000 50.00 50.00 1000.000
1:LEU_52:N         1:LEU_52:CA        1:LEU_52:CB        1:LEU_52:CG        120.000 -120.000 50.00 50.00 1000.000
1:LEU_52:CA        1:LEU_52:CB        1:LEU_52:CG        1:LEU_52:HG        -120.000 -1.000 50.00 50.00 1000.000
1:CYS_54:N        1:CYS_54:CA       1:CYS_54:CB       1:CYS_54:SG       120.000 -120.000 50.00 50.00 1000.000
1:LEU_57:N         1:LEU_57:CA        1:LEU_57:CB        1:LEU_57:CG        120.000 -120.000 50.00 50.00 1000.000
1:ASN_58:N         1:ASN_58:CA        1:ASN_58:CB        1:ASN_58:CG        120.000 -120.000 50.00 50.00 1000.000
1:VAL_65:HA        1:VAL_65:CA        1:VAL_65:CB        1:VAL_65:HB        120.000 -120.000 50.00 50.00 1000.000
1:ILE_74:N         1:ILE_74:CA        1:ILE_74:CB        1:ILE_74:CG1        1.000 120.000 50.00 50.00 1000.000
1:THR_76:N         1:THR_76:CA        1:THR_76:CB        1:THR_76:OG1       -120.000 -1.000 50.00 50.00 1000.000
1:VAL_79:HA        1:VAL_79:CA        1:VAL_79:CB        1:VAL_79:HB        120.000 -120.000 50.00 50.00 1000.000
1:PHE_80:N         1:PHE_80:CA        1:PHE_80:CB        1:PHE_80:CG        -120.000 -1.000 50.00 50.00 1000.000
1:VAL_93:HA        1:VAL_93:CA        1:VAL_93:CB        1:VAL_93:HB        -120.000 -1.000 50.00 50.00 1000.000
1:THR_97:N         1:THR_97:CA        1:THR_97:CB        1:THR_97:OG1       -120.000 -1.000 50.00 50.00 1000.000
1:ILE_98:N         1:ILE_98:CA        1:ILE_98:CB        1:ILE_98:CG1       -120.000 -1.000 50.00 50.00 1000.000
1:VAL_99:HA        1:VAL_99:CA        1:VAL_99:CB        1:VAL_99:HB        120.000 -120.000 50.00 50.00 1000.000
1:THR_101:N        1:THR_101:CA       1:THR_101:CB       1:THR_101:OG1      -120.000 -1.000 50.00 50.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -7.606   2.873  -6.662
    2   2H    MET   1          2H        MET   1  -8.481   1.533  -6.466
    3   3H    MET   1          3H        MET   1  -9.280   2.893  -6.754
    4    HA   MET   1           HA       MET   1  -9.173   1.323  -8.629
    5   1HB   MET   1          1HB       MET   1  -8.633   2.727 -10.383
    6   2HB   MET   1          2HB       MET   1  -9.069   3.850  -9.106
    7   1HG   MET   1          1HG       MET   1  -6.266   3.152 -10.083
    8   2HG   MET   1          2HG       MET   1  -7.131   4.659 -10.328
    9   1HE   MET   1          1HE       MET   1  -8.299   5.521  -7.589
   10   2HE   MET   1          2HE       MET   1  -7.302   6.573  -8.625
   11   3HE   MET   1          3HE       MET   1  -6.923   6.402  -6.897
   12    H    GLU   2           HN       GLU   2  -7.386   0.703 -10.504
   13    HA   GLU   2           HA       GLU   2  -5.944  -1.359  -9.440
   14   1HB   GLU   2          1HB       GLU   2  -4.709  -1.441 -11.526
   15   2HB   GLU   2          2HB       GLU   2  -6.421  -1.169 -11.811
   16   1HG   GLU   2          2HG       GLU   2  -4.239   0.978 -11.946
   17   2HG   GLU   2          1HG       GLU   2  -4.924   0.120 -13.324
   18    H    ALA   3           H        ALA   3  -3.988  -1.790  -8.631
   19    HA   ALA   3           HA       ALA   3  -2.649   0.255  -7.242
   20   1HB   ALA   3          1HB       ALA   3  -1.801  -2.621  -7.761
   21   2HB   ALA   3          2HB       ALA   3  -2.927  -2.109  -6.497
   22   3HB   ALA   3          3HB       ALA   3  -1.236  -1.567  -6.436
   23    H    GLY   4           H        GLY   4  -1.010   1.587  -7.802
   24   1HA   GLY   4          1HA       GLY   4   0.464   1.152 -10.334
   25   2HA   GLY   4          2HA       GLY   4   0.540   2.551  -9.255
   26    H    ALA   5           H        ALA   5   2.938   2.191  -9.787
   27    HA   ALA   5           HA       ALA   5   4.192   0.440  -7.722
   28   1HB   ALA   5          1HB       ALA   5   4.561  -0.570  -9.941
   29   2HB   ALA   5          2HB       ALA   5   6.066   0.099  -9.276
   30   3HB   ALA   5          3HB       ALA   5   5.192   0.978 -10.550
   31    H    VAL   6           H        VAL   6   5.823   1.514  -6.552
   32    HA   VAL   6           HA       VAL   6   6.556   4.269  -7.387
   33    HB   VAL   6           HB       VAL   6   6.349   4.812  -4.817
   34   1HG1  VAL   6          1HG1      VAL   6   4.541   3.749  -3.635
   35   2HG1  VAL   6          2HG1      VAL   6   4.196   2.678  -5.005
   36   3HG1  VAL   6          3HG1      VAL   6   5.721   2.522  -4.128
   37   1HG2  VAL   6          1HG2      VAL   6   5.173   6.083  -6.407
   38   2HG2  VAL   6          2HG2      VAL   6   4.029   5.615  -5.140
   39   3HG2  VAL   6          3HG2      VAL   6   4.011   4.784  -6.719
   40    H    ASN   7           H        ASN   7   8.259   5.137  -6.069
   41    HA   ASN   7           HA       ASN   7  10.048   3.351  -4.639
   42   1HB   ASN   7          1HB       ASN   7  10.792   4.617  -7.301
   43   2HB   ASN   7          2HB       ASN   7  12.012   4.297  -6.077
   44   1HD2  ASN   7          2HD2      ASN   7  11.752   2.027  -4.973
   45   2HD2  ASN   7          1HD2      ASN   7  11.697   0.711  -6.137
   46    H    ASP   8           HN       ASP   8  11.942   4.873  -3.939
   47    HA   ASP   8           HA       ASP   8  11.088   6.706  -2.150
   48   1HB   ASP   8          2HB       ASP   8  13.458   6.029  -2.457
   49   2HB   ASP   8          1HB       ASP   8  13.603   7.095  -3.847
   50    H    ASP   9           HN       ASP   9  12.245   7.791  -5.321
   51    HA   ASP   9           HA       ASP   9  11.588  10.463  -5.169
   52   1HB   ASP   9          1HB       ASP   9  11.495   8.714  -7.677
   53   2HB   ASP   9          2HB       ASP   9  11.758  10.460  -7.603
   54    H    THR  10           H        THR  10   9.524   7.924  -6.752
   55    HA   THR  10           HA       THR  10   7.444   9.793  -7.406
   56    HB   THR  10           HB       THR  10   6.248   7.559  -7.908
   57    HG1  THR  10           HG1      THR  10   7.893   5.852  -8.073
   58   1HG2  THR  10          1HG2      THR  10   8.963   8.120  -9.193
   59   2HG2  THR  10          2HG2      THR  10   7.428   8.906  -9.619
   60   3HG2  THR  10          3HG2      THR  10   7.642   7.172  -9.908
   61    H    PHE  11           H        PHE  11   8.004   7.586  -4.709
   62    HA   PHE  11           HA       PHE  11   5.571   7.376  -3.457
   63   1HB   PHE  11          1HB       PHE  11   7.726   6.415  -2.697
   64   2HB   PHE  11          2HB       PHE  11   8.261   7.985  -2.175
   65    HD1  PHE  11           HD1      PHE  11   7.528   8.995  -0.106
   66    HD2  PHE  11           HD2      PHE  11   5.885   5.241  -1.446
   67    HE1  PHE  11           HE1      PHE  11   6.500   8.662   2.105
   68    HE2  PHE  11           HE2      PHE  11   4.862   4.902   0.788
   69    HZ   PHE  11           HZ       PHE  11   5.060   6.647   2.526
   70    H    LYS  12           HN       LYS  12   7.860  10.014  -3.191
   71    HA   LYS  12           HA       LYS  12   6.569  11.703  -1.343
   72   1HB   LYS  12          2HB       LYS  12   8.008  12.653  -3.858
   73   2HB   LYS  12          1HB       LYS  12   7.755  13.576  -2.377
   74   1HG   LYS  12          1HG       LYS  12   9.460  11.064  -2.676
   75   2HG   LYS  12          2HG       LYS  12  10.056  12.714  -2.602
   76   1HD   LYS  12          1HD       LYS  12   9.185  12.952  -0.300
   77   2HD   LYS  12          2HD       LYS  12   8.582  11.283  -0.338
   78   1HE   LYS  12          2HE       LYS  12  11.511  12.049  -0.710
   79   2HE   LYS  12          1HE       LYS  12  10.794  11.540   0.826
   80   1HZ   LYS  12          1HZ       LYS  12  10.849   9.900  -1.613
   81   2HZ   LYS  12          2HZ       LYS  12  11.863   9.744  -0.328
   82   3HZ   LYS  12          3HZ       LYS  12  10.252   9.453  -0.145
   83    H    ASN  13           H        ASN  13   6.142  11.712  -4.887
   84    HA   ASN  13           HA       ASN  13   3.988  13.664  -4.928
   85   1HB   ASN  13          2HB       ASN  13   5.307  11.767  -6.877
   86   2HB   ASN  13          1HB       ASN  13   3.698  12.343  -7.261
   87   1HD2  ASN  13          2HD2      ASN  13   5.798  14.599  -5.422
   88   2HD2  ASN  13          1HD2      ASN  13   6.182  15.569  -6.828
   89    H    VAL  14           H        VAL  14   4.042  10.196  -5.569
   90    HA   VAL  14           HA       VAL  14   1.214   9.937  -5.907
   91    HB   VAL  14           HB       VAL  14   3.505   7.960  -5.451
   92   1HG1  VAL  14          1HG1      VAL  14   3.412   7.672  -7.913
   93   2HG1  VAL  14          2HG1      VAL  14   2.129   8.893  -8.012
   94   3HG1  VAL  14          3HG1      VAL  14   3.767   9.351  -7.509
   95   1HG2  VAL  14          1HG2      VAL  14   1.492   6.740  -4.984
   96   2HG2  VAL  14          2HG2      VAL  14   2.021   6.315  -6.620
   97   3HG2  VAL  14          3HG2      VAL  14   0.673   7.452  -6.404
   98    H    VAL  15           H        VAL  15   3.202   9.724  -3.000
   99    HA   VAL  15           HA       VAL  15   0.812   8.723  -1.512
  100    HB   VAL  15           HB       VAL  15   3.705   8.412  -0.657
  101   1HG1  VAL  15          1HG1      VAL  15   1.118   7.066   0.204
  102   2HG1  VAL  15          2HG1      VAL  15   2.742   6.743   0.839
  103   3HG1  VAL  15          3HG1      VAL  15   1.988   8.315   1.116
  104   1HG2  VAL  15          1HG2      VAL  15   1.952   6.491  -2.235
  105   2HG2  VAL  15          2HG2      VAL  15   3.472   6.063  -1.432
  106   3HG2  VAL  15          3HG2      VAL  15   3.477   7.206  -2.766
  107    H    LEU  16           H        LEU  16   3.798  10.576  -0.588
  108    HA   LEU  16           HA       LEU  16   2.523  11.750   1.637
  109   1HB   LEU  16          1HB       LEU  16   4.862  12.840   0.017
  110   2HB   LEU  16          2HB       LEU  16   4.352  13.406   1.593
  111    HG   LEU  16           HG       LEU  16   5.444  10.642   0.917
  112   1HD1  LEU  16          1HD1      LEU  16   6.544  12.866   2.690
  113   2HD1  LEU  16          2HD1      LEU  16   7.347  11.335   2.281
  114   3HD1  LEU  16          3HD1      LEU  16   7.063  12.556   1.024
  115   1HD2  LEU  16          1HD2      LEU  16   3.848  10.267   2.700
  116   2HD2  LEU  16          2HD2      LEU  16   5.441  10.356   3.462
  117   3HD2  LEU  16          3HD2      LEU  16   4.353  11.750   3.545
  118    H    GLU  17           HN       GLU  17   2.889  13.123  -1.640
  119    HA   GLU  17           HA       GLU  17   1.289  15.485  -0.900
  120   1HB   GLU  17          2HB       GLU  17   2.544  14.569  -3.502
  121   2HB   GLU  17          1HB       GLU  17   1.852  16.156  -3.203
  122   1HG   GLU  17          1HG       GLU  17   3.561  16.714  -1.588
  123   2HG   GLU  17          2HG       GLU  17   4.222  15.078  -1.600
  124    H    SER  18           H        SER  18   0.086  12.510  -1.202
  125    HA   SER  18           HA       SER  18  -1.607  12.753  -3.524
  126   1HB   SER  18          2HB       SER  18  -2.656  10.729  -2.716
  127   2HB   SER  18          1HB       SER  18  -0.915  10.599  -2.527
  128    HG   SER  18           HG       SER  18  -1.073  10.806  -0.395
  129    H    SER  19           H        SER  19  -3.843  13.149  -3.664
  130    HA   SER  19           HA       SER  19  -5.031  14.919  -1.636
  131   1HB   SER  19          1HB       SER  19  -6.746  15.024  -3.579
  132   2HB   SER  19          2HB       SER  19  -5.130  15.702  -3.875
  133    HG   SER  19           HG       SER  19  -5.760  14.292  -5.579
  134    H    VAL  20           H        VAL  20  -5.941  12.160  -3.619
  135    HA   VAL  20           HA       VAL  20  -8.120  11.267  -1.880
  136    HB   VAL  20           HB       VAL  20  -7.622   9.183  -3.605
  137   1HG1  VAL  20          1HG1      VAL  20  -5.748  10.333  -4.729
  138   2HG1  VAL  20          2HG1      VAL  20  -7.091   9.884  -5.789
  139   3HG1  VAL  20          3HG1      VAL  20  -6.905  11.572  -5.299
  140   1HG2  VAL  20          1HG2      VAL  20  -9.418  10.025  -4.998
  141   2HG2  VAL  20          2HG2      VAL  20  -9.280  11.625  -4.239
  142   3HG2  VAL  20          3HG2      VAL  20  -9.785  10.216  -3.276
  143    HA   PRO  21           HA       PRO  21  -5.991   8.413   0.712
  144   1HB   PRO  21          1HB       PRO  21  -7.783   6.231  -0.375
  145   2HB   PRO  21          2HB       PRO  21  -7.387   6.565   1.334
  146   1HG   PRO  21          2HG       PRO  21  -9.732   7.326   0.307
  147   2HG   PRO  21          1HG       PRO  21  -8.833   8.484   1.334
  148   1HD   PRO  21          2HD       PRO  21  -9.005   8.455  -1.692
  149   2HD   PRO  21          1HD       PRO  21  -9.122   9.794  -0.578
  150    H    VAL  22           H        VAL  22  -4.746   6.338   0.732
  151    HA   VAL  22           HA       VAL  22  -3.901   5.377  -1.905
  152    HB   VAL  22           HB       VAL  22  -1.821   6.467   0.018
  153   1HG1  VAL  22          1HG1      VAL  22  -1.046   4.763  -1.630
  154   2HG1  VAL  22          2HG1      VAL  22  -1.418   5.937  -2.916
  155   3HG1  VAL  22          3HG1      VAL  22  -0.233   6.327  -1.678
  156   1HG2  VAL  22          1HG2      VAL  22  -1.505   8.372  -1.546
  157   2HG2  VAL  22          2HG2      VAL  22  -3.051   8.440  -0.695
  158   3HG2  VAL  22          3HG2      VAL  22  -2.989   7.915  -2.391
  159    H    LEU  23           H        LEU  23  -2.998   3.282  -1.796
  160    HA   LEU  23           HA       LEU  23  -2.621   2.120   0.961
  161   1HB   LEU  23          1HB       LEU  23  -4.776   1.460   0.089
  162   2HB   LEU  23          2HB       LEU  23  -4.065   0.736  -1.343
  163    HG   LEU  23           HG       LEU  23  -2.948  -0.181   1.285
  164   1HD1  LEU  23          1HD1      LEU  23  -3.987  -1.615  -1.209
  165   2HD1  LEU  23          2HD1      LEU  23  -3.213  -2.426   0.147
  166   3HD1  LEU  23          3HD1      LEU  23  -2.277  -1.292  -0.834
  167   1HD2  LEU  23          1HD2      LEU  23  -5.396   0.043   1.802
  168   2HD2  LEU  23          2HD2      LEU  23  -4.792  -1.619   1.863
  169   3HD2  LEU  23          3HD2      LEU  23  -5.736  -1.078   0.468
  170    H    VAL  24           H        VAL  24  -0.407   2.065   1.009
  171    HA   VAL  24           HA       VAL  24   1.068   1.331  -1.492
  172    HB   VAL  24           HB       VAL  24   2.139   2.470   1.111
  173   1HG1  VAL  24          1HG1      VAL  24   4.159   2.920  -0.282
  174   2HG1  VAL  24          2HG1      VAL  24   3.834   1.193  -0.136
  175   3HG1  VAL  24          3HG1      VAL  24   3.409   2.051  -1.632
  176   1HG2  VAL  24          1HG2      VAL  24   1.656   3.888  -1.544
  177   2HG2  VAL  24          2HG2      VAL  24   0.669   4.118  -0.084
  178   3HG2  VAL  24          3HG2      VAL  24   2.372   4.575  -0.073
  179    H    ASP  25           HN       ASP  25   1.686  -0.793  -1.669
  180    HA   ASP  25           HA       ASP  25   1.922  -2.455   0.789
  181   1HB   ASP  25          2HB       ASP  25   0.565  -3.425  -0.965
  182   2HB   ASP  25          1HB       ASP  25   1.844  -3.147  -2.154
  183    H    PHE  26           H        PHE  26   3.943  -2.321   1.711
  184    HA   PHE  26           HA       PHE  26   6.299  -1.680   0.043
  185   1HB   PHE  26          2HB       PHE  26   5.917  -2.377   2.966
  186   2HB   PHE  26          1HB       PHE  26   7.491  -2.257   2.212
  187    HD1  PHE  26           HD1      PHE  26   8.646  -0.232   2.287
  188    HD2  PHE  26           HD2      PHE  26   4.336  -0.179   2.553
  189    HE1  PHE  26           HE1      PHE  26   8.703   2.172   2.886
  190    HE2  PHE  26           HE2      PHE  26   4.405   2.233   3.081
  191    HZ   PHE  26           HZ       PHE  26   6.588   3.394   3.355
  192    H    TRP  27           H        TRP  27   6.988  -3.308  -1.279
  193    HA   TRP  27           HA       TRP  27   6.734  -6.138  -0.361
  194   1HB   TRP  27          2HB       TRP  27   6.047  -6.813  -2.535
  195   2HB   TRP  27          1HB       TRP  27   5.033  -5.443  -2.135
  196    HD1  TRP  27           HD1      TRP  27   6.012  -3.057  -3.253
  197    HE1  TRP  27           HE1      TRP  27   7.338  -2.590  -5.439
  198    HE3  TRP  27           HE3      TRP  27   7.181  -7.872  -4.543
  199    HZ2  TRP  27           HZ2      TRP  27   8.944  -4.121  -7.280
  200    HZ3  TRP  27           HZ3      TRP  27   8.458  -8.323  -6.588
  201    HH2  TRP  27           HH2      TRP  27   9.363  -6.466  -7.959
  202    H    ALA  28           H        ALA  28   7.989  -7.443  -2.308
  203    HA   ALA  28           HA       ALA  28  10.296  -6.246  -3.393
  204   1HB   ALA  28          1HB       ALA  28  10.812  -8.050  -0.982
  205   2HB   ALA  28          2HB       ALA  28  12.047  -7.479  -2.116
  206   3HB   ALA  28          3HB       ALA  28  11.216  -6.316  -1.075
  207    HA   PRO  29           HA       PRO  29   9.697  -9.981  -5.758
  208   1HB   PRO  29          1HB       PRO  29  12.255 -10.578  -6.633
  209   2HB   PRO  29          2HB       PRO  29  11.159  -9.331  -7.324
  210   1HG   PRO  29          1HG       PRO  29  13.365  -8.914  -5.271
  211   2HG   PRO  29          2HG       PRO  29  13.079  -7.985  -6.776
  212   1HD   PRO  29          2HD       PRO  29  12.116  -6.985  -4.479
  213   2HD   PRO  29          1HD       PRO  29  11.058  -7.047  -5.887
  214    H    TRP  30           H        TRP  30  12.277 -10.063  -3.258
  215    HA   TRP  30           HA       TRP  30  12.190 -12.980  -3.094
  216   1HB   TRP  30          2HB       TRP  30  13.473 -12.579  -0.983
  217   2HB   TRP  30          1HB       TRP  30  14.199 -11.981  -2.464
  218    HD1  TRP  30           HD1      TRP  30  15.054  -9.609  -2.461
  219    HE1  TRP  30           HE1      TRP  30  15.022  -7.612  -0.843
  220    HE3  TRP  30           HE3      TRP  30  11.702 -11.411   0.976
  221    HZ2  TRP  30           HZ2      TRP  30  13.595  -6.846   1.548
  222    HZ3  TRP  30           HZ3      TRP  30  11.010 -10.011   2.887
  223    HH2  TRP  30           HH2      TRP  30  11.892  -7.706   3.142
  224    H    CYS  31           H        CYS  31   9.973 -10.533  -2.121
  225    HA   CYS  31           HA       CYS  31   9.176 -11.896   0.377
  226   1HB   CYS  31          2HB       CYS  31   9.212  -9.475   0.329
  227   2HB   CYS  31          1HB       CYS  31   8.031  -9.461  -0.988
  228    H    GLY  32           H        GLY  32   8.710 -13.900  -0.673
  229   1HA   GLY  32          1HA       GLY  32   6.847 -14.659  -2.498
  230   2HA   GLY  32          2HA       GLY  32   7.022 -15.482  -0.943
  231    HA   PRO  33           HA       PRO  33   3.017 -14.265   0.370
  232   1HB   PRO  33          2HB       PRO  33   3.136 -12.441   2.478
  233   2HB   PRO  33          1HB       PRO  33   3.286 -14.214   2.593
  234   1HG   PRO  33          2HG       PRO  33   5.494 -12.173   2.512
  235   2HG   PRO  33          1HG       PRO  33   5.364 -13.634   3.520
  236   1HD   PRO  33          1HD       PRO  33   6.885 -13.515   1.295
  237   2HD   PRO  33          2HD       PRO  33   6.012 -15.023   1.686
  238    H    CYS  34           H        CYS  34   5.128 -11.422   0.001
  239    HA   CYS  34           HA       CYS  34   3.041  -9.484  -0.445
  240   1HB   CYS  34          2HB       CYS  34   5.799  -9.400  -1.715
  241   2HB   CYS  34          1HB       CYS  34   4.621  -8.117  -1.490
  242    H    ARG  35           HN       ARG  35   5.073 -11.455  -2.659
  243    HA   ARG  35           HA       ARG  35   3.911 -10.597  -5.086
  244   1HB   ARG  35          2HB       ARG  35   5.326 -13.141  -4.209
  245   2HB   ARG  35          1HB       ARG  35   4.716 -12.932  -5.855
  246   1HG   ARG  35          2HG       ARG  35   6.081 -11.018  -6.263
  247   2HG   ARG  35          1HG       ARG  35   6.501 -10.844  -4.550
  248   1HD   ARG  35          1HD       ARG  35   8.316 -11.799  -5.939
  249   2HD   ARG  35          2HD       ARG  35   7.846 -12.814  -4.556
  250    HE   ARG  35           HE       ARG  35   6.404 -13.633  -6.879
  251   1HH1  ARG  35          2HH1      ARG  35   9.706 -13.564  -5.613
  252   2HH1  ARG  35          1HH1      ARG  35  10.203 -15.028  -6.419
  253   1HH2  ARG  35          2HH2      ARG  35   7.042 -15.546  -7.962
  254   2HH2  ARG  35          1HH2      ARG  35   8.663 -16.164  -7.801
  255    H    ILE  36           H        ILE  36   2.942 -13.445  -3.037
  256    HA   ILE  36           HA       ILE  36   0.793 -14.024  -4.944
  257    HB   ILE  36           HB       ILE  36   0.104 -15.785  -3.449
  258   1HG1  ILE  36          2HG1      ILE  36   1.842 -16.185  -1.461
  259   2HG1  ILE  36          1HG1      ILE  36   1.918 -14.428  -1.483
  260   1HG2  ILE  36          1HG2      ILE  36   2.122 -17.117  -3.607
  261   2HG2  ILE  36          2HG2      ILE  36   2.019 -16.061  -5.022
  262   3HG2  ILE  36          3HG2      ILE  36   3.142 -15.670  -3.701
  263   1HD1  ILE  36          1HD1      ILE  36  -0.547 -16.199  -1.110
  264   2HD1  ILE  36          2HD1      ILE  36   0.240 -15.210   0.134
  265   3HD1  ILE  36          3HD1      ILE  36  -0.633 -14.434  -1.200
  266    H    ILE  37           H        ILE  37   0.968 -11.916  -2.099
  267    HA   ILE  37           HA       ILE  37  -1.931 -11.622  -1.959
  268    HB   ILE  37           HB       ILE  37   0.467 -10.251  -0.684
  269   1HG1  ILE  37          1HG1      ILE  37  -0.177 -12.573   0.081
  270   2HG1  ILE  37          2HG1      ILE  37  -0.225 -11.335   1.323
  271   1HG2  ILE  37          1HG2      ILE  37  -1.281  -9.224   0.892
  272   2HG2  ILE  37          2HG2      ILE  37  -2.439  -9.464  -0.438
  273   3HG2  ILE  37          3HG2      ILE  37  -0.968  -8.472  -0.661
  274   1HD1  ILE  37          1HD1      ILE  37  -2.646 -12.509  -0.128
  275   2HD1  ILE  37          2HD1      ILE  37  -2.710 -11.248   1.125
  276   3HD1  ILE  37          3HD1      ILE  37  -2.112 -12.869   1.510
  277    H    ALA  38           H        ALA  38   0.697  -9.838  -3.533
  278    HA   ALA  38           HA       ALA  38  -0.297  -7.496  -4.281
  279   1HB   ALA  38          1HB       ALA  38   1.095  -9.396  -6.214
  280   2HB   ALA  38          2HB       ALA  38   1.875  -8.365  -4.998
  281   3HB   ALA  38          3HB       ALA  38   0.991  -7.636  -6.348
  282    HA   PRO  39           HA       PRO  39  -3.010  -9.010  -7.978
  283   1HB   PRO  39          2HB       PRO  39  -4.018 -11.666  -7.039
  284   2HB   PRO  39          1HB       PRO  39  -3.518 -11.177  -8.679
  285   1HG   PRO  39          1HG       PRO  39  -1.941 -12.817  -7.163
  286   2HG   PRO  39          2HG       PRO  39  -1.208 -11.512  -8.148
  287   1HD   PRO  39          1HD       PRO  39  -1.988 -11.394  -5.219
  288   2HD   PRO  39          2HD       PRO  39  -0.393 -11.038  -5.940
  289    H    VAL  40           H        VAL  40  -3.599 -10.188  -4.691
  290    HA   VAL  40           HA       VAL  40  -6.432  -9.750  -4.572
  291    HB   VAL  40           HB       VAL  40  -4.515  -9.848  -2.209
  292   1HG1  VAL  40          1HG1      VAL  40  -7.384 -10.702  -2.600
  293   2HG1  VAL  40          2HG1      VAL  40  -6.845  -9.212  -1.781
  294   3HG1  VAL  40          3HG1      VAL  40  -6.442 -10.798  -1.090
  295   1HG2  VAL  40          1HG2      VAL  40  -4.956 -12.313  -2.194
  296   2HG2  VAL  40          2HG2      VAL  40  -5.711 -12.172  -3.794
  297   3HG2  VAL  40          3HG2      VAL  40  -3.979 -11.842  -3.582
  298    H    VAL  41           H        VAL  41  -3.504  -8.015  -3.518
  299    HA   VAL  41           HA       VAL  41  -4.630  -5.659  -2.441
  300    HB   VAL  41           HB       VAL  41  -2.058  -6.050  -4.033
  301   1HG1  VAL  41          1HG1      VAL  41  -0.932  -6.284  -1.939
  302   2HG1  VAL  41          2HG1      VAL  41  -2.417  -5.912  -1.027
  303   3HG1  VAL  41          3HG1      VAL  41  -2.294  -7.408  -1.961
  304   1HG2  VAL  41          1HG2      VAL  41  -1.224  -4.010  -2.840
  305   2HG2  VAL  41          2HG2      VAL  41  -2.417  -3.746  -4.105
  306   3HG2  VAL  41          3HG2      VAL  41  -2.905  -3.664  -2.386
  307    H    ASP  42           HN       ASP  42  -3.643  -6.353  -5.834
  308    HA   ASP  42           HA       ASP  42  -4.464  -3.859  -6.875
  309   1HB   ASP  42          2HB       ASP  42  -3.018  -5.547  -8.047
  310   2HB   ASP  42          1HB       ASP  42  -4.435  -6.531  -8.361
  311    H    GLU  43           HN       GLU  43  -6.223  -7.006  -7.132
  312    HA   GLU  43           HA       GLU  43  -8.459  -5.867  -8.408
  313   1HB   GLU  43          1HB       GLU  43  -9.611  -7.865  -7.990
  314   2HB   GLU  43          2HB       GLU  43  -7.925  -8.291  -8.283
  315   1HG   GLU  43          1HG       GLU  43  -7.613  -8.433  -5.804
  316   2HG   GLU  43          2HG       GLU  43  -9.353  -8.199  -5.584
  317    H    ILE  44           H        ILE  44  -7.926  -6.285  -4.836
  318    HA   ILE  44           HA       ILE  44 -10.436  -5.191  -4.035
  319    HB   ILE  44           HB       ILE  44  -7.655  -5.180  -2.783
  320   1HG1  ILE  44          2HG1      ILE  44 -10.261  -6.684  -2.217
  321   2HG1  ILE  44          1HG1      ILE  44  -8.839  -7.364  -2.999
  322   1HG2  ILE  44          1HG2      ILE  44  -8.879  -3.180  -1.930
  323   2HG2  ILE  44          2HG2      ILE  44 -10.238  -4.236  -1.477
  324   3HG2  ILE  44          3HG2      ILE  44  -8.653  -4.374  -0.689
  325   1HD1  ILE  44          1HD1      ILE  44  -7.512  -6.836  -0.919
  326   2HD1  ILE  44          2HD1      ILE  44  -9.061  -6.416  -0.126
  327   3HD1  ILE  44          3HD1      ILE  44  -8.774  -8.051  -0.682
  328    H    ALA  45           H        ALA  45  -7.274  -3.586  -4.747
  329    HA   ALA  45           HA       ALA  45  -8.232  -0.968  -4.291
  330   1HB   ALA  45          1HB       ALA  45  -6.125  -1.778  -6.339
  331   2HB   ALA  45          2HB       ALA  45  -5.858  -1.716  -4.577
  332   3HB   ALA  45          3HB       ALA  45  -6.346  -0.250  -5.462
  333    H    GLY  46           H        GLY  46  -8.485  -3.040  -7.168
  334   1HA   GLY  46          2HA       GLY  46  -9.493  -1.155  -9.037
  335   2HA   GLY  46          1HA       GLY  46  -9.822  -2.901  -9.014
  336    H    GLU  47           HN       GLU  47 -11.130  -3.323  -6.672
  337    HA   GLU  47           HA       GLU  47 -13.793  -2.464  -7.153
  338   1HB   GLU  47          2HB       GLU  47 -12.524  -3.496  -4.573
  339   2HB   GLU  47          1HB       GLU  47 -14.245  -3.276  -4.831
  340   1HG   GLU  47          1HG       GLU  47 -14.255  -4.896  -6.665
  341   2HG   GLU  47          2HG       GLU  47 -12.504  -5.084  -6.578
  342    H    TYR  48           H        TYR  48 -11.383  -1.206  -4.845
  343    HA   TYR  48           HA       TYR  48 -13.104   1.149  -4.216
  344   1HB   TYR  48          1HB       TYR  48 -10.332   0.381  -3.264
  345   2HB   TYR  48          2HB       TYR  48 -11.258   1.791  -2.726
  346    HD1  TYR  48           HD1      TYR  48 -10.748  -1.751  -2.207
  347    HD2  TYR  48           HD2      TYR  48 -13.544   1.465  -1.612
  348    HE1  TYR  48           HE1      TYR  48 -12.346  -3.329  -1.137
  349    HE2  TYR  48           HE2      TYR  48 -15.067  -0.075  -0.421
  350    HH   TYR  48           HH       TYR  48 -15.565  -2.356   0.015
  351    H    LYS  49           HN       LYS  49 -13.058   1.291  -6.656
  352    HA   LYS  49           HA       LYS  49 -10.989   2.679  -8.005
  353   1HB   LYS  49          1HB       LYS  49 -13.010   3.537  -9.431
  354   2HB   LYS  49          2HB       LYS  49 -12.501   1.855  -9.462
  355   1HG   LYS  49          2HG       LYS  49 -14.912   2.083  -9.467
  356   2HG   LYS  49          1HG       LYS  49 -14.339   1.134  -8.115
  357   1HD   LYS  49          1HD       LYS  49 -14.628   3.249  -6.656
  358   2HD   LYS  49          2HD       LYS  49 -15.283   4.048  -8.093
  359   1HE   LYS  49          2HE       LYS  49 -17.149   3.281  -6.801
  360   2HE   LYS  49          1HE       LYS  49 -17.030   2.171  -8.175
  361   1HZ   LYS  49          1HZ       LYS  49 -15.804   0.670  -6.668
  362   2HZ   LYS  49          2HZ       LYS  49 -17.347   0.971  -6.165
  363   3HZ   LYS  49          3HZ       LYS  49 -16.071   1.711  -5.432
  364    H    ASP  50           HN       ASP  50 -10.888   4.818  -8.675
  365    HA   ASP  50           HA       ASP  50 -10.635   7.011  -8.525
  366   1HB   ASP  50          1HB       ASP  50 -13.229   6.930  -6.924
  367   2HB   ASP  50          2HB       ASP  50 -12.460   8.378  -7.574
  368    H    LYS  51           HN       LYS  51 -11.656   5.876  -5.319
  369    HA   LYS  51           HA       LYS  51 -10.150   8.061  -4.053
  370   1HB   LYS  51          1HB       LYS  51 -11.540   5.774  -2.665
  371   2HB   LYS  51          2HB       LYS  51 -11.037   7.277  -1.962
  372   1HG   LYS  51          2HG       LYS  51 -12.653   8.562  -3.099
  373   2HG   LYS  51          1HG       LYS  51 -13.088   7.285  -4.232
  374   1HD   LYS  51          1HD       LYS  51 -13.443   6.719  -1.288
  375   2HD   LYS  51          2HD       LYS  51 -14.568   7.826  -2.075
  376   1HE   LYS  51          1HE       LYS  51 -15.413   5.504  -2.075
  377   2HE   LYS  51          2HE       LYS  51 -15.247   6.174  -3.705
  378   1HZ   LYS  51          1HZ       LYS  51 -13.306   4.378  -2.429
  379   2HZ   LYS  51          2HZ       LYS  51 -13.252   4.938  -3.984
  380   3HZ   LYS  51          3HZ       LYS  51 -14.456   3.923  -3.517
  381    H    LEU  52           H        LEU  52  -9.931   4.502  -4.008
  382    HA   LEU  52           HA       LEU  52  -7.610   4.752  -2.190
  383   1HB   LEU  52          2HB       LEU  52  -9.379   2.964  -1.985
  384   2HB   LEU  52          1HB       LEU  52  -8.679   2.207  -3.408
  385    HG   LEU  52           HG       LEU  52  -6.396   2.446  -2.016
  386   1HD1  LEU  52          1HD1      LEU  52  -6.788   2.247   0.430
  387   2HD1  LEU  52          2HD1      LEU  52  -7.422   3.782  -0.162
  388   3HD1  LEU  52          3HD1      LEU  52  -8.519   2.425   0.179
  389   1HD2  LEU  52          1HD2      LEU  52  -6.844   0.226  -0.994
  390   2HD2  LEU  52          2HD2      LEU  52  -7.343   0.316  -2.685
  391   3HD2  LEU  52          3HD2      LEU  52  -8.566   0.397  -1.393
  392    H    LYS  53           HN       LYS  53  -5.886   5.709  -3.241
  393    HA   LYS  53           HA       LYS  53  -5.006   4.705  -5.832
  394   1HB   LYS  53          1HB       LYS  53  -4.776   7.079  -4.694
  395   2HB   LYS  53          2HB       LYS  53  -3.287   6.424  -4.060
  396   1HG   LYS  53          2HG       LYS  53  -4.095   6.527  -7.001
  397   2HG   LYS  53          1HG       LYS  53  -2.991   7.646  -6.197
  398   1HD   LYS  53          1HD       LYS  53  -1.385   5.882  -5.738
  399   2HD   LYS  53          2HD       LYS  53  -2.441   4.640  -6.428
  400   1HE   LYS  53          2HE       LYS  53  -1.344   6.987  -8.022
  401   2HE   LYS  53          1HE       LYS  53  -0.627   5.367  -7.968
  402   1HZ   LYS  53          1HZ       LYS  53  -3.341   5.978  -8.905
  403   2HZ   LYS  53          2HZ       LYS  53  -2.043   5.612  -9.850
  404   3HZ   LYS  53          3HZ       LYS  53  -2.664   4.479  -8.828
  405    H    CYS  54           H        CYS  54  -4.773   2.448  -5.430
  406    HA   CYS  54           HA       CYS  54  -3.044   1.628  -3.239
  407   1HB   CYS  54          2HB       CYS  54  -4.863   0.250  -4.019
  408   2HB   CYS  54          1HB       CYS  54  -4.078   0.079  -5.599
  409    HG   CYS  54           HG       CYS  54  -3.758  -2.105  -4.244
  410    H    VAL  55           H        VAL  55  -0.893   0.598  -3.502
  411    HA   VAL  55           HA       VAL  55   0.445   0.893  -6.021
  412    HB   VAL  55           HB       VAL  55   2.055   2.412  -4.102
  413   1HG1  VAL  55          1HG1      VAL  55  -0.086   3.190  -3.113
  414   2HG1  VAL  55          2HG1      VAL  55  -0.516   3.883  -4.698
  415   3HG1  VAL  55          3HG1      VAL  55   0.907   4.462  -3.836
  416   1HG2  VAL  55          1HG2      VAL  55   2.059   4.076  -5.929
  417   2HG2  VAL  55          2HG2      VAL  55   0.814   3.147  -6.780
  418   3HG2  VAL  55          3HG2      VAL  55   2.425   2.440  -6.498
  419    H    LYS  56           HN       LYS  56   2.714   0.251  -5.869
  420    HA   LYS  56           HA       LYS  56   3.308  -1.507  -3.527
  421   1HB   LYS  56          2HB       LYS  56   3.360  -1.959  -6.493
  422   2HB   LYS  56          1HB       LYS  56   4.437  -2.881  -5.433
  423   1HG   LYS  56          2HG       LYS  56   2.710  -3.849  -4.205
  424   2HG   LYS  56          1HG       LYS  56   1.471  -2.736  -4.794
  425   1HD   LYS  56          2HD       LYS  56   2.911  -4.527  -6.769
  426   2HD   LYS  56          1HD       LYS  56   1.686  -5.206  -5.689
  427   1HE   LYS  56          1HE       LYS  56   0.546  -4.618  -7.720
  428   2HE   LYS  56          2HE       LYS  56   0.034  -3.502  -6.450
  429   1HZ   LYS  56          1HZ       LYS  56   0.481  -2.423  -8.548
  430   2HZ   LYS  56          2HZ       LYS  56   1.504  -1.865  -7.395
  431   3HZ   LYS  56          3HZ       LYS  56   2.044  -2.939  -8.521
  432    H    LEU  57           H        LEU  57   5.109  -0.975  -2.547
  433    HA   LEU  57           HA       LEU  57   7.169   0.694  -3.943
  434   1HB   LEU  57          1HB       LEU  57   6.049   1.770  -2.007
  435   2HB   LEU  57          2HB       LEU  57   6.565   0.410  -0.986
  436    HG   LEU  57           HG       LEU  57   8.862   0.969  -1.174
  437   1HD1  LEU  57          1HD1      LEU  57   8.794   2.848   0.186
  438   2HD1  LEU  57          2HD1      LEU  57   7.140   2.226   0.345
  439   3HD1  LEU  57          3HD1      LEU  57   7.459   3.607  -0.710
  440   1HD2  LEU  57          1HD2      LEU  57   9.101   1.818  -3.399
  441   2HD2  LEU  57          2HD2      LEU  57   9.463   3.181  -2.315
  442   3HD2  LEU  57          3HD2      LEU  57   7.894   3.105  -3.127
  443    H    ASN  58           H        ASN  58   9.012  -0.378  -4.462
  444    HA   ASN  58           HA       ASN  58   9.521  -3.039  -3.351
  445   1HB   ASN  58          2HB       ASN  58  10.041  -2.512  -5.668
  446   2HB   ASN  58          1HB       ASN  58  11.211  -1.306  -5.153
  447   1HD2  ASN  58          2HD2      ASN  58  11.054  -4.362  -6.330
  448   2HD2  ASN  58          1HD2      ASN  58  12.487  -5.045  -5.579
  449    H    THR  59           H        THR  59  10.310  -3.322  -1.441
  450    HA   THR  59           HA       THR  59  11.250  -1.179   0.235
  451    HB   THR  59           HB       THR  59  11.206  -4.202   0.786
  452    HG1  THR  59           HG1      THR  59   9.201  -3.557   0.090
  453   1HG2  THR  59          1HG2      THR  59  10.979  -1.771   2.620
  454   2HG2  THR  59          2HG2      THR  59  12.380  -2.861   2.525
  455   3HG2  THR  59          3HG2      THR  59  10.821  -3.469   3.110
  456    H    ASP  60           HN       ASP  60  12.850  -3.561  -1.776
  457    HA   ASP  60           HA       ASP  60  15.409  -3.486  -0.357
  458   1HB   ASP  60          1HB       ASP  60  14.270  -5.370  -1.790
  459   2HB   ASP  60          2HB       ASP  60  14.902  -4.495  -3.179
  460    H    GLU  61           HN       GLU  61  13.914  -2.182  -3.230
  461    HA   GLU  61           HA       GLU  61  16.175  -0.637  -4.217
  462   1HB   GLU  61          2HB       GLU  61  14.427  -1.813  -5.586
  463   2HB   GLU  61          1HB       GLU  61  13.235  -0.677  -4.918
  464   1HG   GLU  61          2HG       GLU  61  14.345   1.201  -6.057
  465   2HG   GLU  61          1HG       GLU  61  15.613   0.105  -6.636
  466    H    SER  62           H        SER  62  13.362  -0.010  -2.154
  467    HA   SER  62           HA       SER  62  14.160   2.849  -1.832
  468   1HB   SER  62          1HB       SER  62  11.346   1.770  -2.293
  469   2HB   SER  62          2HB       SER  62  11.800   3.380  -1.743
  470    HG   SER  62           HG       SER  62  13.366   2.835  -3.803
  471    HA   PRO  63           HA       PRO  63  13.923   0.373   2.168
  472   1HB   PRO  63          2HB       PRO  63  16.496   0.798   2.972
  473   2HB   PRO  63          1HB       PRO  63  16.029  -0.432   1.768
  474   1HG   PRO  63          2HG       PRO  63  17.166   2.269   1.118
  475   2HG   PRO  63          1HG       PRO  63  17.707   0.667   0.551
  476   1HD   PRO  63          1HD       PRO  63  15.970   2.122  -0.935
  477   2HD   PRO  63          2HD       PRO  63  15.794   0.365  -0.797
  478    H    ASN  64           H        ASN  64  15.418   3.256   1.162
  479    HA   ASN  64           HA       ASN  64  15.717   5.118   3.078
  480   1HB   ASN  64          2HB       ASN  64  13.995   5.511   0.598
  481   2HB   ASN  64          1HB       ASN  64  14.546   6.816   1.659
  482   1HD2  ASN  64          1HD2      ASN  64  15.389   7.501  -0.513
  483   2HD2  ASN  64          2HD2      ASN  64  17.025   6.971  -0.938
  484    H    VAL  65           H        VAL  65  12.440   5.021   1.770
  485    HA   VAL  65           HA       VAL  65  11.503   6.389   3.996
  486    HB   VAL  65           HB       VAL  65   9.171   5.437   2.873
  487   1HG1  VAL  65          1HG1      VAL  65   9.447   7.524   1.368
  488   2HG1  VAL  65          2HG1      VAL  65  11.181   7.517   1.751
  489   3HG1  VAL  65          3HG1      VAL  65  10.001   7.869   3.028
  490   1HG2  VAL  65          1HG2      VAL  65  11.015   5.331   0.522
  491   2HG2  VAL  65          2HG2      VAL  65   9.270   5.083   0.628
  492   3HG2  VAL  65          3HG2      VAL  65  10.367   3.923   1.407
  493    H    ALA  66           H        ALA  66  11.670   2.974   3.202
  494    HA   ALA  66           HA       ALA  66   9.858   1.924   5.162
  495   1HB   ALA  66          1HB       ALA  66  12.424   0.618   4.133
  496   2HB   ALA  66          2HB       ALA  66  10.875   0.610   3.270
  497   3HB   ALA  66          3HB       ALA  66  11.039  -0.187   4.844
  498    H    SER  67           H        SER  67  13.263   2.925   5.283
  499    HA   SER  67           HA       SER  67  13.750   2.099   7.994
  500   1HB   SER  67          2HB       SER  67  15.206   4.250   6.391
  501   2HB   SER  67          1HB       SER  67  15.810   3.331   7.776
  502    HG   SER  67           HG       SER  67  15.063   2.246   5.241
  503    H    GLU  68           HN       GLU  68  12.914   5.188   6.437
  504    HA   GLU  68           HA       GLU  68  12.856   6.847   8.735
  505   1HB   GLU  68          2HB       GLU  68  11.161   6.928   6.205
  506   2HB   GLU  68          1HB       GLU  68  11.206   8.214   7.402
  507   1HG   GLU  68          1HG       GLU  68  13.494   8.728   6.974
  508   2HG   GLU  68          2HG       GLU  68  13.767   7.237   6.074
  509    H    TYR  69           H        TYR  69  10.253   4.823   7.338
  510    HA   TYR  69           HA       TYR  69   8.328   5.564   9.397
  511   1HB   TYR  69          2HB       TYR  69   8.422   3.553   7.130
  512   2HB   TYR  69          1HB       TYR  69   7.157   3.473   8.339
  513    HD1  TYR  69           HD1      TYR  69   7.987   4.910   5.203
  514    HD2  TYR  69           HD2      TYR  69   5.797   5.645   8.840
  515    HE1  TYR  69           HE1      TYR  69   6.814   6.771   4.111
  516    HE2  TYR  69           HE2      TYR  69   4.471   7.397   7.669
  517    HH   TYR  69           HH       TYR  69   5.163   8.390   4.319
  518    H    GLY  70           H        GLY  70  10.568   2.823   8.906
  519   1HA   GLY  70          1HA       GLY  70  11.489   1.610  10.746
  520   2HA   GLY  70          2HA       GLY  70  10.049   1.954  11.721
  521    H    ILE  71           H        ILE  71  10.723   0.595   8.489
  522    HA   ILE  71           HA       ILE  71   8.913  -1.716   9.030
  523    HB   ILE  71           HB       ILE  71   9.481  -0.329   6.380
  524   1HG1  ILE  71          1HG1      ILE  71   7.035   0.035   8.163
  525   2HG1  ILE  71          2HG1      ILE  71   8.288   1.232   7.839
  526   1HG2  ILE  71          1HG2      ILE  71   7.451  -2.446   7.218
  527   2HG2  ILE  71          2HG2      ILE  71   7.498  -1.671   5.617
  528   3HG2  ILE  71          3HG2      ILE  71   8.833  -2.681   6.133
  529   1HD1  ILE  71          1HD1      ILE  71   6.286   0.216   5.825
  530   2HD1  ILE  71          2HD1      ILE  71   7.809   0.998   5.368
  531   3HD1  ILE  71          3HD1      ILE  71   6.641   1.872   6.348
  532    H    ARG  72           HN       ARG  72   9.684  -3.708   8.235
  533    HA   ARG  72           HA       ARG  72  12.199  -3.861   6.768
  534   1HB   ARG  72          1HB       ARG  72  13.204  -3.818   8.939
  535   2HB   ARG  72          2HB       ARG  72  11.939  -4.832   9.644
  536   1HG   ARG  72          1HG       ARG  72  14.023  -6.090   9.354
  537   2HG   ARG  72          2HG       ARG  72  12.715  -6.793   8.414
  538   1HD   ARG  72          1HD       ARG  72  13.702  -5.455   6.373
  539   2HD   ARG  72          2HD       ARG  72  15.058  -5.108   7.434
  540    HE   ARG  72           HE       ARG  72  15.781  -7.287   7.252
  541   1HH1  ARG  72          1HH1      ARG  72  12.502  -7.064   5.827
  542   2HH1  ARG  72          2HH1      ARG  72  12.604  -8.645   5.112
  543   1HH2  ARG  72          1HH2      ARG  72  15.862  -9.330   6.282
  544   2HH2  ARG  72          2HH2      ARG  72  14.520  -9.938   5.353
  545    H    SER  73           H        SER  73  10.127  -5.995   8.870
  546    HA   SER  73           HA       SER  73   9.997  -8.069   6.975
  547   1HB   SER  73          1HB       SER  73   7.751  -7.503   8.874
  548   2HB   SER  73          2HB       SER  73   8.534  -9.049   8.512
  549    HG   SER  73           HG       SER  73   9.157  -8.245  10.590
  550    H    ILE  74           H        ILE  74   8.257  -8.583   5.493
  551    HA   ILE  74           HA       ILE  74   6.262  -6.576   4.968
  552    HB   ILE  74           HB       ILE  74   6.988  -6.668   2.439
  553   1HG1  ILE  74          2HG1      ILE  74   9.775  -6.828   3.569
  554   2HG1  ILE  74          1HG1      ILE  74   8.970  -8.256   2.907
  555   1HG2  ILE  74          1HG2      ILE  74   6.894  -4.652   3.953
  556   2HG2  ILE  74          2HG2      ILE  74   8.587  -4.951   4.395
  557   3HG2  ILE  74          3HG2      ILE  74   8.156  -4.547   2.736
  558   1HD1  ILE  74          1HD1      ILE  74   9.401  -5.687   1.359
  559   2HD1  ILE  74          2HD1      ILE  74  10.284  -7.194   1.155
  560   3HD1  ILE  74          3HD1      ILE  74   8.565  -7.141   0.782
  561    HA   PRO  75           HA       PRO  75   4.806  -6.663   2.616
  562   1HB   PRO  75          1HB       PRO  75   2.099  -7.068   2.777
  563   2HB   PRO  75          2HB       PRO  75   3.163  -7.710   1.510
  564   1HG   PRO  75          1HG       PRO  75   2.196  -9.070   4.039
  565   2HG   PRO  75          2HG       PRO  75   2.181  -9.753   2.385
  566   1HD   PRO  75          2HD       PRO  75   4.168 -10.382   4.157
  567   2HD   PRO  75          1HD       PRO  75   4.535 -10.102   2.447
  568    H    THR  76           H        THR  76   4.206  -4.826   3.346
  569    HA   THR  76           HA       THR  76   2.925  -4.421   5.973
  570    HB   THR  76           HB       THR  76   5.557  -3.126   5.150
  571    HG1  THR  76           HG1      THR  76   6.171  -4.734   6.460
  572   1HG2  THR  76          1HG2      THR  76   4.071  -1.371   5.998
  573   2HG2  THR  76          2HG2      THR  76   5.236  -1.790   7.260
  574   3HG2  THR  76          3HG2      THR  76   3.583  -2.410   7.356
  575    H    ILE  77           H        ILE  77   1.096  -3.726   5.122
  576    HA   ILE  77           HA       ILE  77   1.021  -2.082   2.658
  577    HB   ILE  77           HB       ILE  77  -1.079  -3.691   4.140
  578   1HG1  ILE  77          1HG1      ILE  77   0.177  -4.158   1.402
  579   2HG1  ILE  77          2HG1      ILE  77   0.680  -5.000   2.871
  580   1HG2  ILE  77          1HG2      ILE  77  -2.063  -1.678   3.039
  581   2HG2  ILE  77          2HG2      ILE  77  -2.553  -3.155   2.232
  582   3HG2  ILE  77          3HG2      ILE  77  -1.267  -2.143   1.522
  583   1HD1  ILE  77          1HD1      ILE  77  -1.635  -5.893   3.141
  584   2HD1  ILE  77          2HD1      ILE  77  -0.791  -6.443   1.680
  585   3HD1  ILE  77          3HD1      ILE  77  -2.046  -5.205   1.550
  586    H    MET  78           H        MET  78   1.283   0.054   3.242
  587    HA   MET  78           HA       MET  78   0.019   1.003   5.775
  588   1HB   MET  78          2HB       MET  78   1.725   2.546   3.858
  589   2HB   MET  78          1HB       MET  78   1.132   3.076   5.422
  590   1HG   MET  78          2HG       MET  78   2.370   1.117   6.454
  591   2HG   MET  78          1HG       MET  78   3.200   0.911   4.914
  592   1HE   MET  78          1HE       MET  78   4.919   3.000   8.246
  593   2HE   MET  78          2HE       MET  78   4.646   1.314   7.745
  594   3HE   MET  78          3HE       MET  78   3.292   2.309   8.327
  595    H    VAL  79           H        VAL  79  -1.410   2.668   5.744
  596    HA   VAL  79           HA       VAL  79  -3.021   3.079   3.250
  597    HB   VAL  79           HB       VAL  79  -3.931   2.837   6.143
  598   1HG1  VAL  79          1HG1      VAL  79  -3.650   0.687   4.955
  599   2HG1  VAL  79          2HG1      VAL  79  -4.678   1.285   3.636
  600   3HG1  VAL  79          3HG1      VAL  79  -5.361   1.030   5.255
  601   1HG2  VAL  79          1HG2      VAL  79  -6.219   3.363   5.289
  602   2HG2  VAL  79          2HG2      VAL  79  -5.513   3.789   3.712
  603   3HG2  VAL  79          3HG2      VAL  79  -5.144   4.739   5.151
  604    H    PHE  80           H        PHE  80  -3.459   5.171   2.780
  605    HA   PHE  80           HA       PHE  80  -2.841   7.311   4.739
  606   1HB   PHE  80          1HB       PHE  80  -2.297   7.487   1.767
  607   2HB   PHE  80          2HB       PHE  80  -1.887   8.670   2.971
  608    HD1  PHE  80           HD1      PHE  80   0.310   8.680   3.932
  609    HD2  PHE  80           HD2      PHE  80  -1.074   5.151   1.879
  610    HE1  PHE  80           HE1      PHE  80   2.424   7.536   4.474
  611    HE2  PHE  80           HE2      PHE  80   1.055   4.037   2.367
  612    HZ   PHE  80           HZ       PHE  80   2.804   5.189   3.728
  613    H    LYS  81           HN       LYS  81  -4.317   8.975   4.608
  614    HA   LYS  81           HA       LYS  81  -6.849   8.312   3.117
  615   1HB   LYS  81          1HB       LYS  81  -8.071   9.515   4.686
  616   2HB   LYS  81          2HB       LYS  81  -7.032   8.401   5.564
  617   1HG   LYS  81          1HG       LYS  81  -6.628  11.422   5.284
  618   2HG   LYS  81          2HG       LYS  81  -7.293  10.556   6.672
  619   1HD   LYS  81          1HD       LYS  81  -5.070   9.250   6.756
  620   2HD   LYS  81          2HD       LYS  81  -4.440  10.502   5.668
  621   1HE   LYS  81          2HE       LYS  81  -5.632  10.992   8.422
  622   2HE   LYS  81          1HE       LYS  81  -3.912  10.997   8.010
  623   1HZ   LYS  81          1HZ       LYS  81  -4.335  12.823   6.516
  624   2HZ   LYS  81          2HZ       LYS  81  -5.931  12.836   6.927
  625   3HZ   LYS  81          3HZ       LYS  81  -4.788  13.200   8.055
  626    H    GLY  82           H        GLY  82  -4.329  10.715   3.442
  627   1HA   GLY  82          2HA       GLY  82  -4.925  12.012   0.985
  628   2HA   GLY  82          1HA       GLY  82  -5.571  12.975   2.342
  629    H    GLY  83           H        GLY  83  -2.648  11.655   0.840
  630   1HA   GLY  83          1HA       GLY  83  -0.497  12.225   1.028
  631   2HA   GLY  83          2HA       GLY  83  -0.882  13.602   1.994
  632    H    LYS  84           HN       LYS  84  -1.813  12.746   4.279
  633    HA   LYS  84           HA       LYS  84   0.511  11.472   5.535
  634   1HB   LYS  84          2HB       LYS  84  -2.049  12.344   6.893
  635   2HB   LYS  84          1HB       LYS  84  -0.451  12.153   7.611
  636   1HG   LYS  84          2HG       LYS  84  -1.325  14.311   5.637
  637   2HG   LYS  84          1HG       LYS  84  -0.962  14.514   7.349
  638   1HD   LYS  84          1HD       LYS  84   1.397  13.885   6.972
  639   2HD   LYS  84          2HD       LYS  84   1.093  13.658   5.243
  640   1HE   LYS  84          2HE       LYS  84   0.717  16.296   6.723
  641   2HE   LYS  84          1HE       LYS  84   2.135  15.849   5.761
  642   1HZ   LYS  84          1HZ       LYS  84  -0.603  16.086   4.733
  643   2HZ   LYS  84          2HZ       LYS  84   0.714  15.632   3.854
  644   3HZ   LYS  84          3HZ       LYS  84   0.629  17.149   4.488
  645    H    LYS  85           HN       LYS  85   0.373   9.763   7.017
  646    HA   LYS  85           HA       LYS  85  -0.964   7.452   5.924
  647   1HB   LYS  85          2HB       LYS  85   1.385   7.631   7.007
  648   2HB   LYS  85          1HB       LYS  85   0.517   7.604   8.557
  649   1HG   LYS  85          2HG       LYS  85  -0.437   5.370   7.945
  650   2HG   LYS  85          1HG       LYS  85   0.304   5.507   6.347
  651   1HD   LYS  85          2HD       LYS  85   1.556   3.995   7.656
  652   2HD   LYS  85          1HD       LYS  85   2.564   5.411   7.375
  653   1HE   LYS  85          1HE       LYS  85   0.923   5.081   9.938
  654   2HE   LYS  85          2HE       LYS  85   2.482   4.275   9.741
  655   1HZ   LYS  85          1HZ       LYS  85   3.520   6.360   9.391
  656   2HZ   LYS  85          2HZ       LYS  85   2.099   7.171   9.566
  657   3HZ   LYS  85          3HZ       LYS  85   2.735   6.343  10.837
  658    H    CYS  86           H        CYS  86  -2.340   6.038   7.157
  659    HA   CYS  86           HA       CYS  86  -3.969   7.336   9.312
  660   1HB   CYS  86          2HB       CYS  86  -5.091   7.115   6.957
  661   2HB   CYS  86          1HB       CYS  86  -5.129   5.391   7.286
  662    HG   CYS  86           HG       CYS  86  -6.084   5.881   9.855
  663    H    GLU  87           HN       GLU  87  -3.252   4.194   7.700
  664    HA   GLU  87           HA       GLU  87  -3.028   2.838  10.329
  665   1HB   GLU  87          2HB       GLU  87  -4.782   1.766   8.080
  666   2HB   GLU  87          1HB       GLU  87  -4.631   1.132   9.717
  667   1HG   GLU  87          1HG       GLU  87  -5.980   3.755   8.892
  668   2HG   GLU  87          2HG       GLU  87  -6.753   2.291   9.376
  669    H    THR  88           H        THR  88  -2.459   0.371   9.783
  670    HA   THR  88           HA       THR  88  -1.054  -0.049   7.302
  671    HB   THR  88           HB       THR  88   0.460   0.098   9.954
  672    HG1  THR  88           HG1      THR  88   0.068   1.897   8.035
  673   1HG2  THR  88          1HG2      THR  88   1.379  -0.864   7.204
  674   2HG2  THR  88          2HG2      THR  88   2.474  -0.459   8.547
  675   3HG2  THR  88          3HG2      THR  88   1.339  -1.804   8.708
  676    H    ILE  89           H        ILE  89  -1.080  -2.194   6.800
  677    HA   ILE  89           HA       ILE  89  -1.951  -4.161   8.880
  678    HB   ILE  89           HB       ILE  89  -2.261  -4.373   5.857
  679   1HG1  ILE  89          2HG1      ILE  89  -4.417  -3.554   7.853
  680   2HG1  ILE  89          1HG1      ILE  89  -3.633  -2.463   6.701
  681   1HG2  ILE  89          1HG2      ILE  89  -2.212  -6.514   7.137
  682   2HG2  ILE  89          2HG2      ILE  89  -3.539  -5.922   8.157
  683   3HG2  ILE  89          3HG2      ILE  89  -3.790  -6.227   6.427
  684   1HD1  ILE  89          1HD1      ILE  89  -5.680  -3.060   5.709
  685   2HD1  ILE  89          2HD1      ILE  89  -5.433  -4.790   5.988
  686   3HD1  ILE  89          3HD1      ILE  89  -4.416  -3.918   4.814
  687    H    ILE  90           H        ILE  90  -0.617  -6.131   8.927
  688    HA   ILE  90           HA       ILE  90   1.848  -6.060   7.262
  689    HB   ILE  90           HB       ILE  90   1.737  -6.570  10.267
  690   1HG1  ILE  90          2HG1      ILE  90   2.824  -4.212   8.660
  691   2HG1  ILE  90          1HG1      ILE  90   1.464  -4.180   9.794
  692   1HG2  ILE  90          1HG2      ILE  90   3.461  -7.928   9.064
  693   2HG2  ILE  90          2HG2      ILE  90   4.200  -6.720  10.090
  694   3HG2  ILE  90          3HG2      ILE  90   4.108  -6.441   8.338
  695   1HD1  ILE  90          1HD1      ILE  90   4.390  -4.536  10.494
  696   2HD1  ILE  90          2HD1      ILE  90   3.299  -3.214  10.920
  697   3HD1  ILE  90          3HD1      ILE  90   3.051  -4.818  11.639
  698    H    GLY  91           H        GLY  91   2.518  -8.048   6.587
  699   1HA   GLY  91          2HA       GLY  91   2.628 -10.346   6.408
  700   2HA   GLY  91          1HA       GLY  91   1.493 -10.531   7.754
  701    H    ALA  92           H        ALA  92   1.102 -12.255   5.810
  702    HA   ALA  92           HA       ALA  92  -0.570 -11.398   3.630
  703   1HB   ALA  92          1HB       ALA  92  -0.251 -14.119   4.983
  704   2HB   ALA  92          2HB       ALA  92  -1.050 -13.838   3.425
  705   3HB   ALA  92          3HB       ALA  92   0.688 -13.524   3.594
  706    H    VAL  93           H        VAL  93  -2.904 -11.870   3.390
  707    HA   VAL  93           HA       VAL  93  -4.462 -12.142   5.859
  708    HB   VAL  93           HB       VAL  93  -5.557 -10.078   4.214
  709   1HG1  VAL  93          1HG1      VAL  93  -2.881  -9.282   5.480
  710   2HG1  VAL  93          2HG1      VAL  93  -3.190  -9.339   3.725
  711   3HG1  VAL  93          3HG1      VAL  93  -4.032  -8.168   4.742
  712   1HG2  VAL  93          1HG2      VAL  93  -5.959  -8.802   6.056
  713   2HG2  VAL  93          2HG2      VAL  93  -6.378 -10.484   6.342
  714   3HG2  VAL  93          3HG2      VAL  93  -4.893  -9.826   7.068
  715    HA   PRO  94           HA       PRO  94  -7.151 -13.780   2.570
  716   1HB   PRO  94          1HB       PRO  94  -9.504 -13.575   4.297
  717   2HB   PRO  94          2HB       PRO  94  -8.687 -15.046   3.711
  718   1HG   PRO  94          2HG       PRO  94  -8.587 -14.291   6.378
  719   2HG   PRO  94          1HG       PRO  94  -7.199 -15.079   5.563
  720   1HD   PRO  94          2HD       PRO  94  -7.719 -12.128   5.888
  721   2HD   PRO  94          1HD       PRO  94  -6.250 -12.977   6.378
  722    H    LYS  95           HN       LYS  95  -8.354 -12.764   1.034
  723    HA   LYS  95           HA       LYS  95  -8.410 -10.082   0.845
  724   1HB   LYS  95          2HB       LYS  95  -8.792 -11.824  -1.036
  725   2HB   LYS  95          1HB       LYS  95 -10.406 -12.106  -0.390
  726   1HG   LYS  95          2HG       LYS  95 -10.879  -9.604  -0.929
  727   2HG   LYS  95          1HG       LYS  95  -9.396  -9.691  -1.901
  728   1HD   LYS  95          1HD       LYS  95 -10.338 -11.593  -3.172
  729   2HD   LYS  95          2HD       LYS  95 -11.845 -11.470  -2.248
  730   1HE   LYS  95          2HE       LYS  95 -10.650  -9.267  -3.997
  731   2HE   LYS  95          1HE       LYS  95 -11.971 -10.345  -4.472
  732   1HZ   LYS  95          1HZ       LYS  95 -12.785  -8.254  -3.716
  733   2HZ   LYS  95          2HZ       LYS  95 -13.266  -9.438  -2.677
  734   3HZ   LYS  95          3HZ       LYS  95 -12.039  -8.417  -2.261
  735    H    ALA  96           H        ALA  96 -11.159 -12.064   1.981
  736    HA   ALA  96           HA       ALA  96 -13.140 -10.072   2.129
  737   1HB   ALA  96          1HB       ALA  96 -12.613 -12.390   4.049
  738   2HB   ALA  96          2HB       ALA  96 -13.560 -12.468   2.546
  739   3HB   ALA  96          3HB       ALA  96 -14.133 -11.481   3.905
  740    H    THR  97           H        THR  97 -10.514 -10.872   4.475
  741    HA   THR  97           HA       THR  97 -11.402  -9.011   6.474
  742    HB   THR  97           HB       THR  97  -8.596 -10.062   6.004
  743    HG1  THR  97           HG1      THR  97 -10.833 -11.331   7.217
  744   1HG2  THR  97          1HG2      THR  97  -8.481 -10.024   8.475
  745   2HG2  THR  97          2HG2      THR  97  -8.822  -8.410   7.829
  746   3HG2  THR  97          3HG2      THR  97 -10.130  -9.370   8.553
  747    H    ILE  98           H        ILE  98  -9.007  -8.931   3.780
  748    HA   ILE  98           HA       ILE  98  -7.966  -6.340   4.340
  749    HB   ILE  98           HB       ILE  98  -8.296  -7.695   1.624
  750   1HG1  ILE  98          2HG1      ILE  98  -6.021  -7.762   3.614
  751   2HG1  ILE  98          1HG1      ILE  98  -7.083  -9.090   3.103
  752   1HG2  ILE  98          1HG2      ILE  98  -6.437  -5.442   2.602
  753   2HG2  ILE  98          2HG2      ILE  98  -7.819  -5.185   1.527
  754   3HG2  ILE  98          3HG2      ILE  98  -6.436  -6.110   0.965
  755   1HD1  ILE  98          1HD1      ILE  98  -6.224  -8.796   0.745
  756   2HD1  ILE  98          2HD1      ILE  98  -4.968  -7.726   1.416
  757   3HD1  ILE  98          3HD1      ILE  98  -5.055  -9.416   1.922
  758    H    VAL  99           H        VAL  99 -10.661  -7.315   2.177
  759    HA   VAL  99           HA       VAL  99 -11.550  -4.812   1.292
  760    HB   VAL  99           HB       VAL  99 -12.894  -7.469   1.883
  761   1HG1  VAL  99          1HG1      VAL  99 -14.721  -5.992   2.412
  762   2HG1  VAL  99          2HG1      VAL  99 -14.978  -6.625   0.795
  763   3HG1  VAL  99          3HG1      VAL  99 -14.368  -4.969   1.004
  764   1HG2  VAL  99          1HG2      VAL  99 -12.513  -5.876  -0.681
  765   2HG2  VAL  99          2HG2      VAL  99 -13.172  -7.518  -0.536
  766   3HG2  VAL  99          3HG2      VAL  99 -11.476  -7.209  -0.127
  767    H    GLN 100           H        GLN 100 -12.738  -6.624   4.176
  768    HA   GLN 100           HA       GLN 100 -14.421  -4.559   5.042
  769   1HB   GLN 100          2HB       GLN 100 -14.115  -7.062   5.758
  770   2HB   GLN 100          1HB       GLN 100 -13.057  -6.438   7.019
  771   1HG   GLN 100          1HG       GLN 100 -15.843  -5.244   6.596
  772   2HG   GLN 100          2HG       GLN 100 -15.654  -6.822   7.329
  773   1HE2  GLN 100          2HE2      GLN 100 -14.324  -3.426   7.680
  774   2HE2  GLN 100          1HE2      GLN 100 -14.298  -3.531   9.428
  775    H    THR 101           H        THR 101 -11.082  -5.261   5.975
  776    HA   THR 101           HA       THR 101 -10.657  -3.211   7.861
  777    HB   THR 101           HB       THR 101  -8.654  -4.456   5.937
  778    HG1  THR 101           HG1      THR 101  -9.686  -5.986   7.212
  779   1HG2  THR 101          1HG2      THR 101  -8.312  -2.982   8.583
  780   2HG2  THR 101          2HG2      THR 101  -7.699  -2.477   6.988
  781   3HG2  THR 101          3HG2      THR 101  -7.042  -3.921   7.780
  782    H    VAL 102           H        VAL 102 -10.312  -3.108   4.245
  783    HA   VAL 102           HA       VAL 102  -9.416  -0.368   4.207
  784    HB   VAL 102           HB       VAL 102 -10.718  -2.178   2.140
  785   1HG1  VAL 102          1HG1      VAL 102  -7.916  -0.980   2.340
  786   2HG1  VAL 102          2HG1      VAL 102  -8.486  -2.137   1.123
  787   3HG1  VAL 102          3HG1      VAL 102  -8.330  -2.635   2.815
  788   1HG2  VAL 102          1HG2      VAL 102 -10.104  -0.463   0.445
  789   2HG2  VAL 102          2HG2      VAL 102 -11.396   0.091   1.510
  790   3HG2  VAL 102          3HG2      VAL 102  -9.733   0.677   1.752
  791    H    GLU 103           HN       GLU 103 -12.646  -1.849   3.778
  792    HA   GLU 103           HA       GLU 103 -14.096   0.481   3.357
  793   1HB   GLU 103          2HB       GLU 103 -14.876  -2.134   4.713
  794   2HB   GLU 103          1HB       GLU 103 -16.028  -0.849   4.320
  795   1HG   GLU 103          1HG       GLU 103 -15.485  -0.923   1.980
  796   2HG   GLU 103          2HG       GLU 103 -14.243  -2.151   2.231
  797    H    LYS 104           HN       LYS 104 -13.394  -0.998   6.535
  798    HA   LYS 104           HA       LYS 104 -14.904   0.951   8.002
  799   1HB   LYS 104          1HB       LYS 104 -13.538   0.335   9.963
  800   2HB   LYS 104          2HB       LYS 104 -14.210  -1.065   9.117
  801   1HG   LYS 104          1HG       LYS 104 -12.126  -1.671   8.228
  802   2HG   LYS 104          2HG       LYS 104 -11.416  -0.081   8.496
  803   1HD   LYS 104          1HD       LYS 104 -10.437  -1.592  10.028
  804   2HD   LYS 104          2HD       LYS 104 -11.431  -0.419  10.911
  805   1HE   LYS 104          2HE       LYS 104 -13.251  -2.135  11.096
  806   2HE   LYS 104          1HE       LYS 104 -12.239  -3.287  10.191
  807   1HZ   LYS 104          1HZ       LYS 104 -11.577  -2.103  12.791
  808   2HZ   LYS 104          2HZ       LYS 104 -12.115  -3.639  12.532
  809   3HZ   LYS 104          3HZ       LYS 104 -10.646  -3.175  11.952
  810    H    TYR 105           H        TYR 105 -11.795   1.332   6.389
  811    HA   TYR 105           HA       TYR 105 -11.163   3.788   7.950
  812   1HB   TYR 105          2HB       TYR 105  -9.661   2.487   5.669
  813   2HB   TYR 105          1HB       TYR 105  -9.091   3.785   6.714
  814    HD1  TYR 105           HD1      TYR 105  -7.710   1.163   6.010
  815    HD2  TYR 105           HD2      TYR 105 -10.182   2.300   9.362
  816    HE1  TYR 105           HE1      TYR 105  -6.533  -0.474   7.450
  817    HE2  TYR 105           HE2      TYR 105  -9.073   0.602  10.755
  818    HH   TYR 105           HH       TYR 105  -7.363  -0.944  10.885
  819    H    LEU 106           H        LEU 106 -12.029   2.713   4.637
  820    HA   LEU 106           HA       LEU 106 -12.441   5.550   3.783
  821   1HB   LEU 106          2HB       LEU 106 -12.284   2.903   2.291
  822   2HB   LEU 106          1HB       LEU 106 -12.993   4.361   1.583
  823    HG   LEU 106           HG       LEU 106 -10.886   5.599   1.937
  824   1HD1  LEU 106          1HD1      LEU 106  -9.753   4.528   0.014
  825   2HD1  LEU 106          2HD1      LEU 106 -11.499   4.591  -0.234
  826   3HD1  LEU 106          3HD1      LEU 106 -10.740   3.065   0.244
  827   1HD2  LEU 106          1HD2      LEU 106  -9.806   2.862   2.730
  828   2HD2  LEU 106          2HD2      LEU 106  -8.793   4.238   2.242
  829   3HD2  LEU 106          3HD2      LEU 106  -9.782   4.352   3.698
  830    H    ASN 107           H        ASN 107 -14.395   2.888   2.523
  831    HA   ASN 107           HA       ASN 107 -16.636   3.089   4.198
  832   1HB   ASN 107          1HB       ASN 107 -16.757   5.303   2.836
  833   2HB   ASN 107          2HB       ASN 107 -16.962   4.287   1.406
  834   1HD2  ASN 107          2HD2      ASN 107 -18.695   2.246   2.697
  835   2HD2  ASN 107          1HD2      ASN 107 -20.224   3.075   3.012
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -0.072  -2.000 -10.996
    2   2H    MET   1          2H        MET   1   0.612  -3.428 -11.520
    3   3H    MET   1          3H        MET   1  -0.927  -3.381 -10.899
    4    HA   MET   1           HA       MET   1  -0.037  -2.141 -13.390
    5   1HB   MET   1          2HB       MET   1  -0.321  -4.565 -13.595
    6   2HB   MET   1          1HB       MET   1  -1.918  -4.506 -12.843
    7   1HG   MET   1          2HG       MET   1  -2.036  -4.720 -15.297
    8   2HG   MET   1          1HG       MET   1  -2.803  -3.233 -14.745
    9   1HE   MET   1          1HE       MET   1  -2.869  -1.934 -16.938
   10   2HE   MET   1          2HE       MET   1  -2.394  -3.476 -17.699
   11   3HE   MET   1          3HE       MET   1  -1.553  -1.969 -18.135
   12    H    GLU   2           HN       GLU   2  -3.162  -3.104 -11.885
   13    HA   GLU   2           HA       GLU   2  -4.475  -0.606 -12.658
   14   1HB   GLU   2          2HB       GLU   2  -5.243  -2.810 -10.701
   15   2HB   GLU   2          1HB       GLU   2  -6.304  -1.494 -11.219
   16   1HG   GLU   2          1HG       GLU   2  -6.279  -2.314 -13.523
   17   2HG   GLU   2          2HG       GLU   2  -5.101  -3.572 -13.115
   18    H    ALA   3           H        ALA   3  -3.069  -2.162  -9.813
   19    HA   ALA   3           HA       ALA   3  -3.161   0.264  -8.144
   20   1HB   ALA   3          1HB       ALA   3  -3.300  -1.969  -7.100
   21   2HB   ALA   3          2HB       ALA   3  -1.746  -2.420  -7.827
   22   3HB   ALA   3          3HB       ALA   3  -1.810  -1.138  -6.595
   23    H    GLY   4           H        GLY   4  -1.374   1.714  -8.011
   24   1HA   GLY   4          2HA       GLY   4   0.443   1.672 -10.279
   25   2HA   GLY   4          1HA       GLY   4   0.448   2.824  -8.941
   26    H    ALA   5           H        ALA   5   2.849   2.013  -9.920
   27    HA   ALA   5           HA       ALA   5   3.975   0.174  -7.852
   28   1HB   ALA   5          1HB       ALA   5   4.963   0.734 -10.678
   29   2HB   ALA   5          2HB       ALA   5   4.232  -0.781 -10.103
   30   3HB   ALA   5          3HB       ALA   5   5.795  -0.247  -9.453
   31    H    VAL   6           H        VAL   6   5.347   1.299  -6.457
   32    HA   VAL   6           HA       VAL   6   6.375   3.953  -7.363
   33    HB   VAL   6           HB       VAL   6   5.958   4.687  -4.918
   34   1HG1  VAL   6          1HG1      VAL   6   4.012   3.753  -3.796
   35   2HG1  VAL   6          2HG1      VAL   6   3.815   2.519  -5.051
   36   3HG1  VAL   6          3HG1      VAL   6   5.238   2.507  -4.006
   37   1HG2  VAL   6          1HG2      VAL   6   4.816   5.717  -6.776
   38   2HG2  VAL   6          2HG2      VAL   6   3.698   5.467  -5.427
   39   3HG2  VAL   6          3HG2      VAL   6   3.638   4.389  -6.842
   40    H    ASN   7           H        ASN   7   7.992   4.832  -5.977
   41    HA   ASN   7           HA       ASN   7   9.767   2.991  -4.544
   42   1HB   ASN   7          1HB       ASN   7  10.684   2.892  -6.799
   43   2HB   ASN   7          2HB       ASN   7  10.523   4.649  -7.011
   44   1HD2  ASN   7          1HD2      ASN   7  12.151   2.163  -5.014
   45   2HD2  ASN   7          2HD2      ASN   7  13.605   3.079  -4.700
   46    H    ASP   8           HN       ASP   8  11.515   4.484  -3.613
   47    HA   ASP   8           HA       ASP   8  10.610   6.260  -1.800
   48   1HB   ASP   8          1HB       ASP   8  12.965   5.409  -2.067
   49   2HB   ASP   8          2HB       ASP   8  13.238   6.587  -3.339
   50    H    ASP   9           HN       ASP   9  11.806   7.207  -4.963
   51    HA   ASP   9           HA       ASP   9  11.259  10.016  -4.776
   52   1HB   ASP   9          2HB       ASP   9  12.751   9.149  -6.471
   53   2HB   ASP   9          1HB       ASP   9  11.495   8.148  -7.186
   54    H    THR  10           H        THR  10   9.494   7.767  -6.913
   55    HA   THR  10           HA       THR  10   7.351   9.430  -7.493
   56    HB   THR  10           HB       THR  10   6.192   7.231  -8.091
   57    HG1  THR  10           HG1      THR  10   7.753   5.456  -8.030
   58   1HG2  THR  10          1HG2      THR  10   7.769   6.732  -9.912
   59   2HG2  THR  10          2HG2      THR  10   7.641   8.484  -9.679
   60   3HG2  THR  10          3HG2      THR  10   9.063   7.612  -9.076
   61    H    PHE  11           H        PHE  11   7.608   7.119  -4.838
   62    HA   PHE  11           HA       PHE  11   5.169   6.989  -3.623
   63   1HB   PHE  11          1HB       PHE  11   7.273   6.047  -2.772
   64   2HB   PHE  11          2HB       PHE  11   7.853   7.622  -2.339
   65    HD1  PHE  11           HD1      PHE  11   5.143   5.147  -1.576
   66    HD2  PHE  11           HD2      PHE  11   7.432   8.521  -0.170
   67    HE1  PHE  11           HE1      PHE  11   4.271   4.790   0.718
   68    HE2  PHE  11           HE2      PHE  11   6.496   8.202   2.103
   69    HZ   PHE  11           HZ       PHE  11   4.946   6.310   2.560
   70    H    LYS  12           HN       LYS  12   7.447   9.674  -3.485
   71    HA   LYS  12           HA       LYS  12   5.943  11.240  -1.608
   72   1HB   LYS  12          1HB       LYS  12   7.867  12.249  -3.760
   73   2HB   LYS  12          2HB       LYS  12   7.212  13.114  -2.369
   74   1HG   LYS  12          2HG       LYS  12   8.129  10.824  -1.134
   75   2HG   LYS  12          1HG       LYS  12   9.207  10.845  -2.528
   76   1HD   LYS  12          2HD       LYS  12  10.197  12.929  -1.824
   77   2HD   LYS  12          1HD       LYS  12   8.910  13.215  -0.636
   78   1HE   LYS  12          2HE       LYS  12  10.889  12.358   0.532
   79   2HE   LYS  12          1HE       LYS  12   9.577  11.185   0.631
   80   1HZ   LYS  12          1HZ       LYS  12  11.834  11.065  -1.252
   81   2HZ   LYS  12          2HZ       LYS  12  10.602   9.976  -1.191
   82   3HZ   LYS  12          3HZ       LYS  12  11.632  10.117   0.078
   83    H    ASN  13           H        ASN  13   6.114  11.596  -5.167
   84    HA   ASN  13           HA       ASN  13   4.093  13.619  -5.367
   85   1HB   ASN  13          1HB       ASN  13   4.945  11.530  -7.407
   86   2HB   ASN  13          2HB       ASN  13   4.118  13.053  -7.729
   87   1HD2  ASN  13          2HD2      ASN  13   6.073  14.396  -5.568
   88   2HD2  ASN  13          1HD2      ASN  13   7.494  14.617  -6.570
   89    H    VAL  14           H        VAL  14   4.034  10.155  -5.230
   90    HA   VAL  14           HA       VAL  14   1.243   9.974  -6.251
   91    HB   VAL  14           HB       VAL  14   3.371   7.904  -5.583
   92   1HG1  VAL  14          1HG1      VAL  14   3.797   9.316  -7.633
   93   2HG1  VAL  14          2HG1      VAL  14   3.473   7.628  -8.036
   94   3HG1  VAL  14          3HG1      VAL  14   2.205   8.849  -8.247
   95   1HG2  VAL  14          1HG2      VAL  14   0.594   7.525  -6.752
   96   2HG2  VAL  14          2HG2      VAL  14   1.261   6.772  -5.279
   97   3HG2  VAL  14          3HG2      VAL  14   1.892   6.323  -6.869
   98    H    VAL  15           H        VAL  15   2.914   9.632  -3.154
   99    HA   VAL  15           HA       VAL  15   0.371   8.725  -1.881
  100    HB   VAL  15           HB       VAL  15   3.186   8.235  -0.830
  101   1HG1  VAL  15          1HG1      VAL  15   2.110   6.631   0.599
  102   2HG1  VAL  15          2HG1      VAL  15   0.517   7.027  -0.068
  103   3HG1  VAL  15          3HG1      VAL  15   1.422   8.236   0.857
  104   1HG2  VAL  15          1HG2      VAL  15   1.419   6.412  -2.509
  105   2HG2  VAL  15          2HG2      VAL  15   2.995   7.060  -2.973
  106   3HG2  VAL  15          3HG2      VAL  15   2.883   5.920  -1.642
  107    H    LEU  16           H        LEU  16   3.406  10.307  -0.797
  108    HA   LEU  16           HA       LEU  16   2.368  11.616   1.432
  109   1HB   LEU  16          2HB       LEU  16   4.531  12.566  -0.498
  110   2HB   LEU  16          1HB       LEU  16   4.185  13.318   1.018
  111    HG   LEU  16           HG       LEU  16   5.227  10.473   0.560
  112   1HD1  LEU  16          1HD2      LEU  16   7.288  11.321   1.559
  113   2HD1  LEU  16          2HD2      LEU  16   6.828  12.394   0.222
  114   3HD1  LEU  16          3HD2      LEU  16   6.530  12.892   1.892
  115   1HD2  LEU  16          1HD1      LEU  16   5.595  10.409   3.034
  116   2HD2  LEU  16          2HD1      LEU  16   4.629  11.889   3.192
  117   3HD2  LEU  16          3HD1      LEU  16   3.884  10.382   2.592
  118    H    GLU  17           HN       GLU  17   2.871  13.065  -1.735
  119    HA   GLU  17           HA       GLU  17   1.327  15.456  -1.147
  120   1HB   GLU  17          1HB       GLU  17   2.450  14.369  -3.758
  121   2HB   GLU  17          2HB       GLU  17   1.867  16.017  -3.500
  122   1HG   GLU  17          2HG       GLU  17   3.625  16.460  -1.863
  123   2HG   GLU  17          1HG       GLU  17   4.214  14.797  -1.957
  124    H    SER  18           H        SER  18  -0.053  12.480  -1.530
  125    HA   SER  18           HA       SER  18  -1.856  13.000  -3.738
  126   1HB   SER  18          2HB       SER  18  -1.281  10.718  -2.928
  127   2HB   SER  18          1HB       SER  18  -2.174  11.049  -1.426
  128    HG   SER  18           HG       SER  18  -4.004  10.768  -2.497
  129    H    SER  19           H        SER  19  -3.989  13.721  -3.687
  130    HA   SER  19           HA       SER  19  -4.834  15.398  -1.442
  131   1HB   SER  19          2HB       SER  19  -6.765  15.724  -3.138
  132   2HB   SER  19          1HB       SER  19  -5.150  16.281  -3.631
  133    HG   SER  19           HG       SER  19  -6.103  15.004  -5.279
  134    H    VAL  20           H        VAL  20  -6.232  12.803  -3.405
  135    HA   VAL  20           HA       VAL  20  -8.219  12.090  -1.404
  136    HB   VAL  20           HB       VAL  20  -8.918  10.395  -3.038
  137   1HG1  VAL  20          1HG2      VAL  20  -7.756  10.113  -5.196
  138   2HG1  VAL  20          2HG2      VAL  20  -6.785   9.537  -3.843
  139   3HG1  VAL  20          3HG2      VAL  20  -6.403  11.093  -4.611
  140   1HG2  VAL  20          1HG1      VAL  20  -9.592  12.758  -3.376
  141   2HG2  VAL  20          2HG1      VAL  20  -8.220  12.976  -4.485
  142   3HG2  VAL  20          3HG1      VAL  20  -9.508  11.825  -4.880
  143    HA   PRO  21           HA       PRO  21  -6.184   8.941   0.884
  144   1HB   PRO  21          1HB       PRO  21  -8.289   7.005  -0.128
  145   2HB   PRO  21          2HB       PRO  21  -7.641   7.143   1.529
  146   1HG   PRO  21          1HG       PRO  21  -9.982   8.255   0.849
  147   2HG   PRO  21          2HG       PRO  21  -8.860   9.175   1.883
  148   1HD   PRO  21          1HD       PRO  21  -9.474   9.573  -1.023
  149   2HD   PRO  21          2HD       PRO  21  -9.010  10.764   0.220
  150    H    VAL  22           H        VAL  22  -5.067   6.877   0.792
  151    HA   VAL  22           HA       VAL  22  -4.400   5.803  -1.867
  152    HB   VAL  22           HB       VAL  22  -2.217   6.799  -0.004
  153   1HG1  VAL  22          1HG1      VAL  22  -1.503   5.035  -1.529
  154   2HG1  VAL  22          2HG1      VAL  22  -0.731   6.581  -1.873
  155   3HG1  VAL  22          3HG1      VAL  22  -2.016   6.021  -2.916
  156   1HG2  VAL  22          1HG2      VAL  22  -1.834   8.654  -1.611
  157   2HG2  VAL  22          2HG2      VAL  22  -3.340   8.828  -0.720
  158   3HG2  VAL  22          3HG2      VAL  22  -3.365   8.264  -2.407
  159    H    LEU  23           H        LEU  23  -3.524   3.720  -1.729
  160    HA   LEU  23           HA       LEU  23  -3.229   2.485   0.992
  161   1HB   LEU  23          2HB       LEU  23  -5.363   1.819  -0.047
  162   2HB   LEU  23          1HB       LEU  23  -4.542   1.161  -1.438
  163    HG   LEU  23           HG       LEU  23  -3.824   0.225   1.365
  164   1HD1  LEU  23          1HD2      LEU  23  -2.315  -0.660  -0.356
  165   2HD1  LEU  23          2HD2      LEU  23  -3.399  -1.949   0.125
  166   3HD1  LEU  23          3HD2      LEU  23  -3.693  -1.088  -1.392
  167   1HD2  LEU  23          1HD1      LEU  23  -6.103  -0.826  -0.355
  168   2HD2  LEU  23          2HD1      LEU  23  -6.243  -0.007   1.223
  169   3HD2  LEU  23          3HD1      LEU  23  -5.480  -1.599   1.117
  170    H    VAL  24           H        VAL  24  -1.013   2.013   1.090
  171    HA   VAL  24           HA       VAL  24   0.271   1.196  -1.507
  172    HB   VAL  24           HB       VAL  24   2.289   2.010  -0.909
  173   1HG1  VAL  24          1HG2      VAL  24   1.983   4.375  -0.281
  174   2HG1  VAL  24          2HG2      VAL  24   0.280   4.070   0.080
  175   3HG1  VAL  24          3HG2      VAL  24   0.893   3.829  -1.562
  176   1HG2  VAL  24          1HG1      VAL  24   1.387   2.070   1.958
  177   2HG2  VAL  24          2HG1      VAL  24   2.816   2.967   1.388
  178   3HG2  VAL  24          3HG1      VAL  24   2.737   1.213   1.206
  179    H    ASP  25           HN       ASP  25   1.148  -0.804  -1.578
  180    HA   ASP  25           HA       ASP  25   1.357  -2.390   0.966
  181   1HB   ASP  25          1HB       ASP  25  -0.156  -3.465  -0.569
  182   2HB   ASP  25          2HB       ASP  25   0.992  -3.284  -1.903
  183    H    PHE  26           H        PHE  26   3.409  -2.603   1.695
  184    HA   PHE  26           HA       PHE  26   5.703  -1.886  -0.041
  185   1HB   PHE  26          1HB       PHE  26   5.406  -2.801   2.838
  186   2HB   PHE  26          2HB       PHE  26   6.958  -2.683   2.034
  187    HD1  PHE  26           HD1      PHE  26   3.914  -0.553   2.770
  188    HD2  PHE  26           HD2      PHE  26   8.168  -0.686   2.058
  189    HE1  PHE  26           HE1      PHE  26   4.091   1.855   3.305
  190    HE2  PHE  26           HE2      PHE  26   8.343   1.692   2.695
  191    HZ   PHE  26           HZ       PHE  26   6.293   2.976   3.322
  192    H    TRP  27           H        TRP  27   6.411  -3.398  -1.475
  193    HA   TRP  27           HA       TRP  27   6.186  -6.283  -0.737
  194   1HB   TRP  27          2HB       TRP  27   5.436  -6.854  -2.902
  195   2HB   TRP  27          1HB       TRP  27   4.400  -5.542  -2.385
  196    HD1  TRP  27           HD1      TRP  27   5.261  -3.064  -3.393
  197    HE1  TRP  27           HE1      TRP  27   6.486  -2.426  -5.595
  198    HE3  TRP  27           HE3      TRP  27   6.554  -7.749  -4.988
  199    HZ2  TRP  27           HZ2      TRP  27   8.096  -3.798  -7.566
  200    HZ3  TRP  27           HZ3      TRP  27   7.717  -8.041  -7.132
  201    HH2  TRP  27           HH2      TRP  27   8.545  -6.083  -8.405
  202    H    ALA  28           H        ALA  28   7.414  -7.433  -2.768
  203    HA   ALA  28           HA       ALA  28   9.636  -6.107  -3.892
  204   1HB   ALA  28          1HB       ALA  28  11.470  -7.360  -2.759
  205   2HB   ALA  28          2HB       ALA  28  10.649  -6.286  -1.616
  206   3HB   ALA  28          3HB       ALA  28  10.298  -8.033  -1.614
  207    HA   PRO  29           HA       PRO  29   9.019  -9.659  -6.523
  208   1HB   PRO  29          1HB       PRO  29  11.585 -10.307  -7.335
  209   2HB   PRO  29          2HB       PRO  29  10.506  -9.017  -7.981
  210   1HG   PRO  29          1HG       PRO  29  12.692  -8.693  -5.893
  211   2HG   PRO  29          2HG       PRO  29  12.431  -7.713  -7.369
  212   1HD   PRO  29          2HD       PRO  29  11.436  -6.770  -5.068
  213   2HD   PRO  29          1HD       PRO  29  10.383  -6.814  -6.481
  214    H    TRP  30           H        TRP  30  11.692 -10.116  -4.133
  215    HA   TRP  30           HA       TRP  30  11.329 -12.980  -4.058
  216   1HB   TRP  30          2HB       TRP  30  12.677 -12.754  -1.936
  217   2HB   TRP  30          1HB       TRP  30  13.411 -12.159  -3.415
  218    HD1  TRP  30           HD1      TRP  30  14.350  -9.802  -3.409
  219    HE1  TRP  30           HE1      TRP  30  14.453  -7.842  -1.741
  220    HE3  TRP  30           HE3      TRP  30  11.096 -11.581   0.129
  221    HZ2  TRP  30           HZ2      TRP  30  13.189  -7.103   0.732
  222    HZ3  TRP  30           HZ3      TRP  30  10.563 -10.221   2.121
  223    HH2  TRP  30           HH2      TRP  30  11.511  -7.949   2.386
  224    H    CYS  31           H        CYS  31   9.268 -10.494  -2.864
  225    HA   CYS  31           HA       CYS  31   8.489 -11.872  -0.408
  226   1HB   CYS  31          1HB       CYS  31   8.422  -9.409  -0.613
  227   2HB   CYS  31          2HB       CYS  31   7.158  -9.564  -1.824
  228    H    GLY  32           H        GLY  32   8.042 -13.945  -1.478
  229   1HA   GLY  32          2HA       GLY  32   6.052 -14.716  -3.161
  230   2HA   GLY  32          1HA       GLY  32   6.309 -15.544  -1.619
  231    HA   PRO  33           HA       PRO  33   2.475 -14.303   0.075
  232   1HB   PRO  33          2HB       PRO  33   2.809 -12.486   2.150
  233   2HB   PRO  33          1HB       PRO  33   3.022 -14.257   2.240
  234   1HG   PRO  33          2HG       PRO  33   5.179 -12.181   1.848
  235   2HG   PRO  33          1HG       PRO  33   5.178 -13.582   2.948
  236   1HD   PRO  33          2HD       PRO  33   6.446 -13.679   0.601
  237   2HD   PRO  33          1HD       PRO  33   5.482 -15.075   1.135
  238    H    CYS  34           H        CYS  34   4.519 -11.569  -0.864
  239    HA   CYS  34           HA       CYS  34   2.358  -9.604  -1.020
  240   1HB   CYS  34          2HB       CYS  34   5.006  -9.502  -2.424
  241   2HB   CYS  34          1HB       CYS  34   3.805  -8.243  -2.189
  242    H    ARG  35           HN       ARG  35   4.230 -11.701  -3.222
  243    HA   ARG  35           HA       ARG  35   3.084 -11.043  -5.659
  244   1HB   ARG  35          2HB       ARG  35   5.002 -12.756  -4.987
  245   2HB   ARG  35          1HB       ARG  35   3.726 -13.937  -4.920
  246   1HG   ARG  35          1HG       ARG  35   4.910 -13.961  -7.068
  247   2HG   ARG  35          2HG       ARG  35   3.176 -13.705  -7.244
  248   1HD   ARG  35          1HD       ARG  35   4.830 -12.273  -8.705
  249   2HD   ARG  35          2HD       ARG  35   3.410 -11.522  -7.983
  250    HE   ARG  35           HE       ARG  35   4.721 -10.153  -6.778
  251   1HH1  ARG  35          1HH1      ARG  35   6.848 -12.806  -7.755
  252   2HH1  ARG  35          2HH1      ARG  35   8.062 -12.412  -6.545
  253   1HH2  ARG  35          1HH2      ARG  35   6.195  -9.823  -5.079
  254   2HH2  ARG  35          2HH2      ARG  35   7.685 -10.718  -5.030
  255    H    ILE  36           H        ILE  36   1.946 -13.544  -3.377
  256    HA   ILE  36           HA       ILE  36  -0.271 -14.212  -5.125
  257    HB   ILE  36           HB       ILE  36  -1.094 -15.623  -3.264
  258   1HG1  ILE  36          2HG1      ILE  36   0.601 -16.123  -1.440
  259   2HG1  ILE  36          1HG1      ILE  36   1.344 -14.565  -1.772
  260   1HG2  ILE  36          1HG2      ILE  36   0.510 -16.361  -5.016
  261   2HG2  ILE  36          2HG2      ILE  36   1.863 -15.903  -3.961
  262   3HG2  ILE  36          3HG2      ILE  36   0.756 -17.204  -3.484
  263   1HD1  ILE  36          1HD1      ILE  36  -0.846 -13.485  -1.176
  264   2HD1  ILE  36          2HD1      ILE  36  -0.241 -14.496   0.142
  265   3HD1  ILE  36          3HD1      ILE  36  -1.549 -15.089  -0.903
  266    H    ILE  37           H        ILE  37  -0.028 -11.526  -2.841
  267    HA   ILE  37           HA       ILE  37  -3.012 -11.278  -2.936
  268    HB   ILE  37           HB       ILE  37  -2.746  -9.285  -1.588
  269   1HG1  ILE  37          2HG1      ILE  37   0.178 -10.004  -1.296
  270   2HG1  ILE  37          1HG1      ILE  37  -0.414  -8.649  -2.279
  271   1HG2  ILE  37          1HG2      ILE  37  -1.259 -11.552  -0.219
  272   2HG2  ILE  37          2HG2      ILE  37  -2.433 -10.428   0.471
  273   3HG2  ILE  37          3HG2      ILE  37  -2.980 -11.681  -0.647
  274   1HD1  ILE  37          1HD1      ILE  37  -1.446  -7.668  -0.233
  275   2HD1  ILE  37          2HD1      ILE  37   0.323  -7.809  -0.159
  276   3HD1  ILE  37          3HD1      ILE  37  -0.685  -8.961   0.730
  277    H    ALA  38           H        ALA  38  -0.086  -9.959  -4.399
  278    HA   ALA  38           HA       ALA  38  -0.722  -7.592  -5.393
  279   1HB   ALA  38          1HB       ALA  38   1.368  -8.781  -5.867
  280   2HB   ALA  38          2HB       ALA  38   0.559  -9.791  -7.078
  281   3HB   ALA  38          3HB       ALA  38   0.697  -8.054  -7.336
  282    HA   PRO  39           HA       PRO  39  -3.306  -9.061  -9.199
  283   1HB   PRO  39          2HB       PRO  39  -4.685 -11.506  -8.134
  284   2HB   PRO  39          1HB       PRO  39  -4.068 -11.197  -9.780
  285   1HG   PRO  39          2HG       PRO  39  -2.734 -12.878  -8.103
  286   2HG   PRO  39          1HG       PRO  39  -1.819 -11.699  -9.096
  287   1HD   PRO  39          2HD       PRO  39  -2.738 -11.383  -6.225
  288   2HD   PRO  39          1HD       PRO  39  -1.105 -11.180  -6.861
  289    H    VAL  40           H        VAL  40  -4.320  -9.839  -5.887
  290    HA   VAL  40           HA       VAL  40  -7.066  -8.917  -6.202
  291    HB   VAL  40           HB       VAL  40  -5.495  -9.196  -3.610
  292   1HG1  VAL  40          1HG2      VAL  40  -8.484  -9.095  -4.273
  293   2HG1  VAL  40          2HG2      VAL  40  -7.558  -7.833  -3.436
  294   3HG1  VAL  40          3HG2      VAL  40  -7.811  -9.405  -2.665
  295   1HG2  VAL  40          1HG1      VAL  40  -7.284 -11.106  -5.103
  296   2HG2  VAL  40          2HG1      VAL  40  -5.528 -11.303  -4.781
  297   3HG2  VAL  40          3HG1      VAL  40  -6.689 -11.319  -3.424
  298    H    VAL  41           H        VAL  41  -3.967  -7.669  -4.898
  299    HA   VAL  41           HA       VAL  41  -4.957  -5.257  -3.980
  300    HB   VAL  41           HB       VAL  41  -2.203  -5.746  -5.245
  301   1HG1  VAL  41          1HG1      VAL  41  -2.982  -5.754  -2.299
  302   2HG1  VAL  41          2HG1      VAL  41  -1.381  -6.100  -2.979
  303   3HG1  VAL  41          3HG1      VAL  41  -2.716  -7.217  -3.247
  304   1HG2  VAL  41          1HG2      VAL  41  -1.424  -3.832  -3.842
  305   2HG2  VAL  41          2HG2      VAL  41  -2.572  -3.333  -5.083
  306   3HG2  VAL  41          3HG2      VAL  41  -3.102  -3.502  -3.392
  307    H    ASP  42           HN       ASP  42  -3.870  -6.198  -7.225
  308    HA   ASP  42           HA       ASP  42  -4.351  -3.691  -8.530
  309   1HB   ASP  42          1HB       ASP  42  -4.080  -6.567  -9.451
  310   2HB   ASP  42          2HB       ASP  42  -4.560  -5.310 -10.589
  311    H    GLU  43           HN       GLU  43  -6.499  -6.698  -8.743
  312    HA   GLU  43           HA       GLU  43  -8.470  -5.233 -10.139
  313   1HB   GLU  43          1HB       GLU  43  -9.972  -7.038  -9.590
  314   2HB   GLU  43          2HB       GLU  43  -8.426  -7.617 -10.191
  315   1HG   GLU  43          1HG       GLU  43  -8.141  -8.913  -8.389
  316   2HG   GLU  43          2HG       GLU  43  -8.284  -7.521  -7.314
  317    H    ILE  44           H        ILE  44  -8.133  -5.691  -6.567
  318    HA   ILE  44           HA       ILE  44 -10.589  -4.287  -6.030
  319    HB   ILE  44           HB       ILE  44  -8.127  -4.772  -4.304
  320   1HG1  ILE  44          2HG1      ILE  44 -10.874  -6.069  -4.717
  321   2HG1  ILE  44          1HG1      ILE  44  -9.286  -6.809  -4.910
  322   1HG2  ILE  44          1HG2      ILE  44 -10.835  -3.633  -3.530
  323   2HG2  ILE  44          2HG2      ILE  44  -9.277  -2.768  -3.475
  324   3HG2  ILE  44          3HG2      ILE  44  -9.549  -4.112  -2.393
  325   1HD1  ILE  44          1HD1      ILE  44 -10.211  -7.663  -2.896
  326   2HD1  ILE  44          2HD1      ILE  44  -8.999  -6.466  -2.375
  327   3HD1  ILE  44          3HD1      ILE  44 -10.737  -6.065  -2.356
  328    H    ALA  45           H        ALA  45  -7.413  -3.046  -7.037
  329    HA   ALA  45           HA       ALA  45  -7.786  -0.355  -6.125
  330   1HB   ALA  45          1HB       ALA  45  -6.196   0.259  -7.812
  331   2HB   ALA  45          2HB       ALA  45  -6.481  -1.188  -8.755
  332   3HB   ALA  45          3HB       ALA  45  -5.666  -1.328  -7.185
  333    H    GLY  46           H        GLY  46  -8.866  -2.202  -8.985
  334   1HA   GLY  46          1HA       GLY  46 -10.099  -0.054 -10.428
  335   2HA   GLY  46          2HA       GLY  46 -10.469  -1.786 -10.569
  336    H    GLU  47           HN       GLU  47 -11.338  -2.476  -8.038
  337    HA   GLU  47           HA       GLU  47 -14.003  -1.583  -8.057
  338   1HB   GLU  47          1HB       GLU  47 -12.424  -2.786  -5.731
  339   2HB   GLU  47          2HB       GLU  47 -14.169  -2.730  -5.879
  340   1HG   GLU  47          2HG       GLU  47 -12.317  -4.282  -7.751
  341   2HG   GLU  47          1HG       GLU  47 -13.254  -4.960  -6.429
  342    H    TYR  48           H        TYR  48 -11.379  -0.592  -5.861
  343    HA   TYR  48           HA       TYR  48 -13.139   1.575  -4.747
  344   1HB   TYR  48          2HB       TYR  48 -10.385   0.682  -3.851
  345   2HB   TYR  48          1HB       TYR  48 -11.506   1.728  -2.983
  346    HD1  TYR  48           HD1      TYR  48 -14.059  -0.074  -3.507
  347    HD2  TYR  48           HD2      TYR  48 -10.090  -0.793  -1.965
  348    HE1  TYR  48           HE1      TYR  48 -14.908  -1.982  -2.202
  349    HE2  TYR  48           HE2      TYR  48 -10.960  -2.707  -0.654
  350    HH   TYR  48           HH       TYR  48 -14.357  -3.483  -0.377
  351    H    LYS  49           HN       LYS  49 -12.098   1.804  -7.469
  352    HA   LYS  49           HA       LYS  49  -9.896   3.544  -7.596
  353   1HB   LYS  49          2HB       LYS  49 -10.809   4.190  -9.814
  354   2HB   LYS  49          1HB       LYS  49 -10.800   2.457  -9.546
  355   1HG   LYS  49          2HG       LYS  49 -13.274   2.600  -8.948
  356   2HG   LYS  49          1HG       LYS  49 -13.223   4.324  -9.342
  357   1HD   LYS  49          2HD       LYS  49 -12.554   3.774 -11.666
  358   2HD   LYS  49          1HD       LYS  49 -12.517   2.046 -11.247
  359   1HE   LYS  49          2HE       LYS  49 -14.935   2.126 -10.672
  360   2HE   LYS  49          1HE       LYS  49 -14.988   3.840 -11.131
  361   1HZ   LYS  49          1HZ       LYS  49 -14.314   1.599 -12.908
  362   2HZ   LYS  49          2HZ       LYS  49 -15.742   2.420 -12.883
  363   3HZ   LYS  49          3HZ       LYS  49 -14.360   3.188 -13.346
  364    H    ASP  50           HN       ASP  50 -10.029   5.752  -8.384
  365    HA   ASP  50           HA       ASP  50 -10.440   7.980  -8.236
  366   1HB   ASP  50          2HB       ASP  50 -12.810   7.423  -8.774
  367   2HB   ASP  50          1HB       ASP  50 -13.186   7.278  -7.065
  368    H    LYS  51           HN       LYS  51 -11.902   6.420  -5.435
  369    HA   LYS  51           HA       LYS  51 -11.081   8.609  -3.654
  370   1HB   LYS  51          1HB       LYS  51 -12.294   5.906  -2.982
  371   2HB   LYS  51          2HB       LYS  51 -12.142   7.290  -1.889
  372   1HG   LYS  51          1HG       LYS  51 -13.530   8.628  -3.580
  373   2HG   LYS  51          2HG       LYS  51 -13.865   7.105  -4.409
  374   1HD   LYS  51          2HD       LYS  51 -14.543   7.766  -1.501
  375   2HD   LYS  51          1HD       LYS  51 -15.678   7.737  -2.860
  376   1HE   LYS  51          1HE       LYS  51 -15.187   5.298  -3.192
  377   2HE   LYS  51          2HE       LYS  51 -14.140   5.333  -1.760
  378   1HZ   LYS  51          1HZ       LYS  51 -16.018   5.986  -0.460
  379   2HZ   LYS  51          2HZ       LYS  51 -16.306   4.559  -1.229
  380   3HZ   LYS  51          3HZ       LYS  51 -17.004   5.946  -1.781
  381    H    LEU  52           H        LEU  52 -10.187   5.175  -3.982
  382    HA   LEU  52           HA       LEU  52  -7.964   5.609  -2.036
  383   1HB   LEU  52          1HB       LEU  52  -9.799   3.927  -1.549
  384   2HB   LEU  52          2HB       LEU  52  -9.220   3.010  -2.946
  385    HG   LEU  52           HG       LEU  52  -6.905   3.015  -1.791
  386   1HD1  LEU  52          1HD1      LEU  52  -8.671   3.926   0.533
  387   2HD1  LEU  52          2HD1      LEU  52  -7.053   3.235   0.728
  388   3HD1  LEU  52          3HD1      LEU  52  -7.249   4.771  -0.115
  389   1HD2  LEU  52          1HD2      LEU  52  -8.357   1.037  -1.915
  390   2HD2  LEU  52          2HD2      LEU  52  -7.635   1.120  -0.301
  391   3HD2  LEU  52          3HD2      LEU  52  -9.319   1.614  -0.535
  392    H    LYS  53           HN       LYS  53  -6.185   6.208  -3.160
  393    HA   LYS  53           HA       LYS  53  -5.637   5.128  -5.818
  394   1HB   LYS  53          1HB       LYS  53  -5.101   7.439  -4.804
  395   2HB   LYS  53          2HB       LYS  53  -3.714   6.694  -4.062
  396   1HG   LYS  53          2HG       LYS  53  -4.367   6.677  -7.056
  397   2HG   LYS  53          1HG       LYS  53  -3.295   7.839  -6.267
  398   1HD   LYS  53          1HD       LYS  53  -1.739   6.098  -5.609
  399   2HD   LYS  53          2HD       LYS  53  -2.759   4.827  -6.312
  400   1HE   LYS  53          1HE       LYS  53  -1.553   7.102  -7.931
  401   2HE   LYS  53          2HE       LYS  53  -0.828   5.494  -7.748
  402   1HZ   LYS  53          1HZ       LYS  53  -2.100   5.632  -9.735
  403   2HZ   LYS  53          2HZ       LYS  53  -3.465   6.037  -8.909
  404   3HZ   LYS  53          3HZ       LYS  53  -2.791   4.546  -8.706
  405    H    CYS  54           H        CYS  54  -5.369   2.904  -5.684
  406    HA   CYS  54           HA       CYS  54  -3.848   1.677  -3.546
  407   1HB   CYS  54          1HB       CYS  54  -5.792   0.609  -4.737
  408   2HB   CYS  54          2HB       CYS  54  -4.725   0.475  -6.166
  409    HG   CYS  54           HG       CYS  54  -4.783  -1.835  -5.058
  410    H    VAL  55           H        VAL  55  -1.733   0.943  -3.542
  411    HA   VAL  55           HA       VAL  55  -0.141   1.070  -6.008
  412    HB   VAL  55           HB       VAL  55   1.344   2.486  -3.928
  413   1HG1  VAL  55          1HG1      VAL  55   0.226   4.614  -3.875
  414   2HG1  VAL  55          2HG1      VAL  55  -1.146   3.977  -4.787
  415   3HG1  VAL  55          3HG1      VAL  55  -0.817   3.391  -3.140
  416   1HG2  VAL  55          1HG2      VAL  55   1.896   2.510  -6.314
  417   2HG2  VAL  55          2HG2      VAL  55   0.355   3.330  -6.673
  418   3HG2  VAL  55          3HG2      VAL  55   1.603   4.150  -5.718
  419    H    LYS  56           HN       LYS  56   2.027   0.287  -5.785
  420    HA   LYS  56           HA       LYS  56   2.562  -1.408  -3.400
  421   1HB   LYS  56          1HB       LYS  56   2.310  -2.055  -6.314
  422   2HB   LYS  56          2HB       LYS  56   3.645  -2.833  -5.475
  423   1HG   LYS  56          1HG       LYS  56   2.209  -3.768  -3.792
  424   2HG   LYS  56          2HG       LYS  56   0.795  -2.894  -4.409
  425   1HD   LYS  56          1HD       LYS  56   2.343  -5.003  -5.993
  426   2HD   LYS  56          2HD       LYS  56   0.925  -5.346  -4.987
  427   1HE   LYS  56          1HE       LYS  56  -0.407  -3.706  -6.344
  428   2HE   LYS  56          2HE       LYS  56   0.977  -3.525  -7.437
  429   1HZ   LYS  56          1HZ       LYS  56   0.835  -5.892  -7.849
  430   2HZ   LYS  56          2HZ       LYS  56  -0.563  -5.134  -8.269
  431   3HZ   LYS  56          3HZ       LYS  56  -0.497  -6.006  -6.884
  432    H    LEU  57           H        LEU  57   4.460  -0.875  -2.456
  433    HA   LEU  57           HA       LEU  57   6.448   0.720  -4.022
  434   1HB   LEU  57          1HB       LEU  57   5.584   1.750  -1.927
  435   2HB   LEU  57          2HB       LEU  57   6.176   0.348  -1.033
  436    HG   LEU  57           HG       LEU  57   8.487   1.159  -2.370
  437   1HD1  LEU  57          1HD2      LEU  57   8.337   0.655  -0.013
  438   2HD1  LEU  57          2HD2      LEU  57   7.365   2.134   0.262
  439   3HD1  LEU  57          3HD2      LEU  57   9.068   2.257  -0.204
  440   1HD2  LEU  57          1HD1      LEU  57   7.317   3.169  -3.300
  441   2HD2  LEU  57          2HD1      LEU  57   6.967   3.686  -1.641
  442   3HD2  LEU  57          3HD1      LEU  57   8.641   3.584  -2.201
  443    H    ASN  58           H        ASN  58   8.285  -0.222  -4.677
  444    HA   ASN  58           HA       ASN  58   8.900  -2.952  -3.761
  445   1HB   ASN  58          1HB       ASN  58   9.330  -2.259  -6.085
  446   2HB   ASN  58          2HB       ASN  58  10.540  -1.107  -5.519
  447   1HD2  ASN  58          2HD2      ASN  58  10.232  -4.152  -6.795
  448   2HD2  ASN  58          1HD2      ASN  58  11.710  -4.856  -6.159
  449    H    THR  59           H        THR  59   9.655  -3.250  -1.849
  450    HA   THR  59           HA       THR  59  10.694  -1.183  -0.151
  451    HB   THR  59           HB       THR  59  10.757  -4.205   0.259
  452    HG1  THR  59           HG1      THR  59   8.676  -3.639  -0.274
  453   1HG2  THR  59          1HG2      THR  59  10.503  -3.647   2.631
  454   2HG2  THR  59          2HG2      THR  59  11.950  -2.836   2.004
  455   3HG2  THR  59          3HG2      THR  59  10.444  -1.919   2.249
  456    H    ASP  60           HN       ASP  60  12.199  -3.689  -2.132
  457    HA   ASP  60           HA       ASP  60  14.812  -3.657  -0.901
  458   1HB   ASP  60          1HB       ASP  60  13.590  -5.425  -2.404
  459   2HB   ASP  60          2HB       ASP  60  14.166  -4.469  -3.761
  460    H    GLU  61           HN       GLU  61  13.227  -2.114  -3.598
  461    HA   GLU  61           HA       GLU  61  15.497  -0.541  -4.517
  462   1HB   GLU  61          2HB       GLU  61  13.513  -1.521  -5.868
  463   2HB   GLU  61          1HB       GLU  61  12.551  -0.210  -5.162
  464   1HG   GLU  61          1HG       GLU  61  13.211   0.511  -7.297
  465   2HG   GLU  61          2HG       GLU  61  14.254   1.412  -6.203
  466    H    SER  62           H        SER  62  12.812  -0.082  -2.282
  467    HA   SER  62           HA       SER  62  13.545   2.786  -1.844
  468   1HB   SER  62          2HB       SER  62  11.319   2.237  -2.916
  469   2HB   SER  62          1HB       SER  62  10.869   1.421  -1.417
  470    HG   SER  62           HG       SER  62  11.222   3.348  -0.320
  471    HA   PRO  63           HA       PRO  63  14.094   0.163   2.109
  472   1HB   PRO  63          1HB       PRO  63  16.764   0.660   2.534
  473   2HB   PRO  63          2HB       PRO  63  16.154  -0.724   1.572
  474   1HG   PRO  63          1HG       PRO  63  17.125   1.967   0.563
  475   2HG   PRO  63          2HG       PRO  63  17.575   0.340  -0.035
  476   1HD   PRO  63          1HD       PRO  63  15.666   1.780  -1.287
  477   2HD   PRO  63          2HD       PRO  63  15.428   0.027  -1.026
  478    H    ASN  64           H        ASN  64  15.044   3.280   0.887
  479    HA   ASN  64           HA       ASN  64  15.601   4.738   3.255
  480   1HB   ASN  64          1HB       ASN  64  14.211   5.647   0.693
  481   2HB   ASN  64          2HB       ASN  64  14.797   6.733   1.961
  482   1HD2  ASN  64          1HD2      ASN  64  15.723   7.124  -0.602
  483   2HD2  ASN  64          2HD2      ASN  64  17.409   6.617  -0.673
  484    H    VAL  65           H        VAL  65  12.505   4.631   1.515
  485    HA   VAL  65           HA       VAL  65  10.890   5.788   3.514
  486    HB   VAL  65           HB       VAL  65  10.173   3.723   1.383
  487   1HG1  VAL  65          1HG2      VAL  65   7.913   4.570   1.541
  488   2HG1  VAL  65          2HG2      VAL  65   8.402   5.738   2.795
  489   3HG1  VAL  65          3HG2      VAL  65   8.420   3.996   3.137
  490   1HG2  VAL  65          1HG1      VAL  65  11.222   5.675   0.368
  491   2HG2  VAL  65          2HG1      VAL  65  10.238   6.775   1.351
  492   3HG2  VAL  65          3HG1      VAL  65   9.472   5.768   0.101
  493    H    ALA  66           H        ALA  66  11.461   2.389   2.704
  494    HA   ALA  66           HA       ALA  66   9.991   1.105   4.628
  495   1HB   ALA  66          1HB       ALA  66  11.461   0.058   2.826
  496   2HB   ALA  66          2HB       ALA  66  12.820   0.221   3.961
  497   3HB   ALA  66          3HB       ALA  66  11.439  -0.789   4.389
  498    H    SER  67           H        SER  67  13.305   2.383   5.099
  499    HA   SER  67           HA       SER  67  13.522   1.617   7.855
  500   1HB   SER  67          1HB       SER  67  14.998   3.814   6.328
  501   2HB   SER  67          2HB       SER  67  15.478   3.080   7.869
  502    HG   SER  67           HG       SER  67  15.270   1.806   5.336
  503    H    GLU  68           HN       GLU  68  12.682   4.688   6.250
  504    HA   GLU  68           HA       GLU  68  12.409   6.324   8.546
  505   1HB   GLU  68          1HB       GLU  68  10.944   6.352   5.878
  506   2HB   GLU  68          2HB       GLU  68  10.809   7.642   7.073
  507   1HG   GLU  68          1HG       GLU  68  13.057   8.310   6.830
  508   2HG   GLU  68          2HG       GLU  68  13.548   6.797   6.070
  509    H    TYR  69           H        TYR  69   9.948   4.297   6.913
  510    HA   TYR  69           HA       TYR  69   7.880   4.956   8.886
  511   1HB   TYR  69          2HB       TYR  69   8.090   3.168   6.451
  512   2HB   TYR  69          1HB       TYR  69   6.772   2.984   7.584
  513    HD1  TYR  69           HD1      TYR  69   8.452   5.488   5.349
  514    HD2  TYR  69           HD2      TYR  69   4.933   4.569   7.659
  515    HE1  TYR  69           HE1      TYR  69   7.301   7.447   4.376
  516    HE2  TYR  69           HE2      TYR  69   3.774   6.515   6.660
  517    HH   TYR  69           HH       TYR  69   4.048   8.442   5.383
  518    H    GLY  70           H        GLY  70  10.183   2.292   8.370
  519   1HA   GLY  70          2HA       GLY  70  11.005   0.899  10.066
  520   2HA   GLY  70          1HA       GLY  70   9.669   1.350  11.137
  521    H    ILE  71           H        ILE  71   9.926   0.059   7.814
  522    HA   ILE  71           HA       ILE  71   7.626  -1.689   8.140
  523    HB   ILE  71           HB       ILE  71   9.717  -1.472   5.941
  524   1HG1  ILE  71          1HG1      ILE  71   8.470   0.656   6.338
  525   2HG1  ILE  71          2HG1      ILE  71   8.147  -0.106   4.794
  526   1HG2  ILE  71          1HG2      ILE  71   8.616  -3.586   5.664
  527   2HG2  ILE  71          2HG2      ILE  71   7.834  -2.474   4.540
  528   3HG2  ILE  71          3HG2      ILE  71   7.036  -2.902   6.073
  529   1HD1  ILE  71          1HD1      ILE  71   6.136   0.861   5.792
  530   2HD1  ILE  71          2HD1      ILE  71   6.283  -0.204   7.193
  531   3HD1  ILE  71          3HD1      ILE  71   5.963  -0.883   5.572
  532    H    ARG  72           HN       ARG  72   8.283  -2.797  10.017
  533    HA   ARG  72           HA       ARG  72  10.511  -4.644   9.963
  534   1HB   ARG  72          1HB       ARG  72   9.677  -3.666  12.004
  535   2HB   ARG  72          2HB       ARG  72   8.089  -4.420  11.803
  536   1HG   ARG  72          1HG       ARG  72   8.885  -6.574  12.292
  537   2HG   ARG  72          2HG       ARG  72  10.550  -6.183  11.859
  538   1HD   ARG  72          1HD       ARG  72   9.031  -5.077  14.272
  539   2HD   ARG  72          2HD       ARG  72  10.124  -6.453  14.357
  540    HE   ARG  72           HE       ARG  72  10.804  -3.634  14.245
  541   1HH1  ARG  72          2HH2      ARG  72  12.013  -6.855  13.458
  542   2HH1  ARG  72          1HH2      ARG  72  13.695  -6.406  13.546
  543   1HH2  ARG  72          1HH1      ARG  72  12.989  -3.021  14.349
  544   2HH2  ARG  72          2HH1      ARG  72  14.257  -4.179  14.052
  545    H    SER  73           H        SER  73   9.911  -5.444   7.828
  546    HA   SER  73           HA       SER  73   9.802  -7.536   6.795
  547   1HB   SER  73          1HB       SER  73   7.422  -8.323   8.525
  548   2HB   SER  73          2HB       SER  73   8.409  -9.356   7.484
  549    HG   SER  73           HG       SER  73   9.043  -8.151   9.937
  550    H    ILE  74           H        ILE  74   8.078  -8.525   5.259
  551    HA   ILE  74           HA       ILE  74   5.915  -6.643   4.657
  552    HB   ILE  74           HB       ILE  74   6.560  -6.781   2.216
  553   1HG1  ILE  74          1HG1      ILE  74   9.291  -7.638   3.192
  554   2HG1  ILE  74          2HG1      ILE  74   8.121  -8.692   2.377
  555   1HG2  ILE  74          1HG2      ILE  74   8.040  -4.882   2.371
  556   2HG2  ILE  74          2HG2      ILE  74   8.613  -5.377   3.973
  557   3HG2  ILE  74          3HG2      ILE  74   6.946  -4.801   3.747
  558   1HD1  ILE  74          1HD1      ILE  74   8.025  -6.985   0.491
  559   2HD1  ILE  74          2HD1      ILE  74   9.532  -7.870   0.637
  560   3HD1  ILE  74          3HD1      ILE  74   9.447  -6.207   1.223
  561    HA   PRO  75           HA       PRO  75   4.373  -6.846   2.481
  562   1HB   PRO  75          2HB       PRO  75   1.697  -7.301   2.671
  563   2HB   PRO  75          1HB       PRO  75   2.738  -8.033   1.432
  564   1HG   PRO  75          1HG       PRO  75   1.898  -9.184   4.112
  565   2HG   PRO  75          2HG       PRO  75   1.745  -9.991   2.514
  566   1HD   PRO  75          1HD       PRO  75   3.848 -10.515   4.167
  567   2HD   PRO  75          2HD       PRO  75   4.115 -10.354   2.411
  568    H    THR  76           H        THR  76   3.554  -5.040   3.215
  569    HA   THR  76           HA       THR  76   2.384  -4.773   5.874
  570    HB   THR  76           HB       THR  76   4.966  -3.374   5.073
  571    HG1  THR  76           HG1      THR  76   5.610  -4.935   6.394
  572   1HG2  THR  76          1HG2      THR  76   2.898  -2.623   7.184
  573   2HG2  THR  76          2HG2      THR  76   3.556  -1.596   5.896
  574   3HG2  THR  76          3HG2      THR  76   4.588  -2.091   7.250
  575    H    ILE  77           H        ILE  77   0.586  -3.708   5.432
  576    HA   ILE  77           HA       ILE  77   0.424  -2.062   2.948
  577    HB   ILE  77           HB       ILE  77  -1.089  -3.862   2.825
  578   1HG1  ILE  77          1HG1      ILE  77  -1.921  -1.455   2.328
  579   2HG1  ILE  77          2HG1      ILE  77  -3.047  -2.807   2.358
  580   1HG2  ILE  77          1HG2      ILE  77  -2.019  -3.155   5.640
  581   2HG2  ILE  77          2HG2      ILE  77  -1.201  -4.647   5.122
  582   3HG2  ILE  77          3HG2      ILE  77  -2.823  -4.299   4.548
  583   1HD1  ILE  77          1HD1      ILE  77  -2.755  -0.834   4.665
  584   2HD1  ILE  77          2HD1      ILE  77  -3.907  -2.175   4.547
  585   3HD1  ILE  77          3HD1      ILE  77  -4.007  -0.827   3.423
  586    H    MET  78           H        MET  78  -0.125   0.098   3.157
  587    HA   MET  78           HA       MET  78  -0.849   1.075   5.867
  588   1HB   MET  78          2HB       MET  78   0.983   2.694   4.126
  589   2HB   MET  78          1HB       MET  78   0.557   2.921   5.814
  590   1HG   MET  78          2HG       MET  78   1.741   0.713   6.273
  591   2HG   MET  78          1HG       MET  78   2.344   0.787   4.629
  592   1HE   MET  78          1HE       MET  78   4.679   1.981   8.033
  593   2HE   MET  78          2HE       MET  78   2.946   1.707   8.297
  594   3HE   MET  78          3HE       MET  78   3.912   0.499   7.420
  595    H    VAL  79           H        VAL  79  -2.148   2.763   5.863
  596    HA   VAL  79           HA       VAL  79  -3.665   3.385   3.353
  597    HB   VAL  79           HB       VAL  79  -4.564   3.257   6.265
  598   1HG1  VAL  79          1HG1      VAL  79  -5.492   1.747   3.784
  599   2HG1  VAL  79          2HG1      VAL  79  -6.200   1.613   5.408
  600   3HG1  VAL  79          3HG1      VAL  79  -4.536   1.078   5.126
  601   1HG2  VAL  79          1HG2      VAL  79  -6.785   4.001   5.459
  602   2HG2  VAL  79          2HG2      VAL  79  -6.098   4.307   3.844
  603   3HG2  VAL  79          3HG2      VAL  79  -5.593   5.264   5.238
  604    H    PHE  80           H        PHE  80  -3.860   5.523   2.873
  605    HA   PHE  80           HA       PHE  80  -2.989   7.571   4.837
  606   1HB   PHE  80          1HB       PHE  80  -2.536   7.719   1.847
  607   2HB   PHE  80          2HB       PHE  80  -1.984   8.860   3.038
  608    HD1  PHE  80           HD1      PHE  80  -1.556   5.280   1.950
  609    HD2  PHE  80           HD2      PHE  80   0.272   8.684   3.857
  610    HE1  PHE  80           HE1      PHE  80   0.465   3.974   2.355
  611    HE2  PHE  80           HE2      PHE  80   2.360   7.403   4.132
  612    HZ   PHE  80           HZ       PHE  80   2.457   5.010   3.452
  613    H    LYS  81           HN       LYS  81  -4.491   9.181   4.967
  614    HA   LYS  81           HA       LYS  81  -7.042   8.693   3.460
  615   1HB   LYS  81          2HB       LYS  81  -8.211   9.638   5.233
  616   2HB   LYS  81          1HB       LYS  81  -7.042   8.545   5.960
  617   1HG   LYS  81          2HG       LYS  81  -6.970  11.598   5.902
  618   2HG   LYS  81          1HG       LYS  81  -7.260  10.536   7.280
  619   1HD   LYS  81          2HD       LYS  81  -4.891   9.593   6.859
  620   2HD   LYS  81          1HD       LYS  81  -4.635  11.003   5.825
  621   1HE   LYS  81          1HE       LYS  81  -5.382  11.091   8.770
  622   2HE   LYS  81          2HE       LYS  81  -3.780  11.390   8.080
  623   1HZ   LYS  81          1HZ       LYS  81  -4.698  13.242   6.880
  624   2HZ   LYS  81          2HZ       LYS  81  -4.931  13.421   8.501
  625   3HZ   LYS  81          3HZ       LYS  81  -6.189  12.980   7.534
  626    H    GLY  82           H        GLY  82  -4.506  11.035   3.904
  627   1HA   GLY  82          1HA       GLY  82  -5.581  12.733   1.865
  628   2HA   GLY  82          2HA       GLY  82  -5.645  13.494   3.470
  629    H    GLY  83           H        GLY  83  -3.481  11.665   1.296
  630   1HA   GLY  83          1HA       GLY  83  -1.290  11.897   0.789
  631   2HA   GLY  83          2HA       GLY  83  -1.210  13.420   1.659
  632    H    LYS  84           HN       LYS  84  -1.726  12.844   4.190
  633    HA   LYS  84           HA       LYS  84   0.576  11.263   5.074
  634   1HB   LYS  84          2HB       LYS  84  -1.549  12.664   6.730
  635   2HB   LYS  84          1HB       LYS  84   0.009  12.090   7.306
  636   1HG   LYS  84          2HG       LYS  84  -0.489  14.359   5.328
  637   2HG   LYS  84          1HG       LYS  84   0.086  14.507   6.979
  638   1HD   LYS  84          1HD       LYS  84   1.585  13.260   4.619
  639   2HD   LYS  84          2HD       LYS  84   1.921  14.804   5.385
  640   1HE   LYS  84          1HE       LYS  84   2.265  12.061   6.687
  641   2HE   LYS  84          2HE       LYS  84   3.542  13.132   6.105
  642   1HZ   LYS  84          1HZ       LYS  84   2.853  14.748   7.725
  643   2HZ   LYS  84          2HZ       LYS  84   3.264  13.324   8.445
  644   3HZ   LYS  84          3HZ       LYS  84   1.678  13.737   8.286
  645    H    LYS  85           HN       LYS  85   0.434   9.730   6.749
  646    HA   LYS  85           HA       LYS  85  -1.093   7.470   5.949
  647   1HB   LYS  85          2HB       LYS  85   1.293   7.757   7.100
  648   2HB   LYS  85          1HB       LYS  85   0.352   7.611   8.583
  649   1HG   LYS  85          2HG       LYS  85  -0.601   5.403   7.379
  650   2HG   LYS  85          1HG       LYS  85   0.747   5.660   6.286
  651   1HD   LYS  85          1HD       LYS  85   1.802   4.304   7.789
  652   2HD   LYS  85          2HD       LYS  85   2.103   5.821   8.639
  653   1HE   LYS  85          1HE       LYS  85  -0.147   3.808   9.145
  654   2HE   LYS  85          2HE       LYS  85   1.255   4.098  10.186
  655   1HZ   LYS  85          1HZ       LYS  85  -0.721   5.171  10.994
  656   2HZ   LYS  85          2HZ       LYS  85  -0.873   6.038   9.607
  657   3HZ   LYS  85          3HZ       LYS  85   0.418   6.294  10.596
  658    H    CYS  86           H        CYS  86  -2.466   6.171   7.314
  659    HA   CYS  86           HA       CYS  86  -3.969   7.587   9.479
  660   1HB   CYS  86          1HB       CYS  86  -5.226   7.450   7.281
  661   2HB   CYS  86          2HB       CYS  86  -5.161   5.695   7.400
  662    HG   CYS  86           HG       CYS  86  -6.218   7.738   9.762
  663    H    GLU  87           HN       GLU  87  -3.681   4.332   7.973
  664    HA   GLU  87           HA       GLU  87  -3.010   3.118  10.599
  665   1HB   GLU  87          1HB       GLU  87  -5.233   2.143   8.744
  666   2HB   GLU  87          2HB       GLU  87  -4.706   1.346  10.230
  667   1HG   GLU  87          1HG       GLU  87  -6.080   4.060  10.030
  668   2HG   GLU  87          2HG       GLU  87  -6.796   2.575  10.590
  669    H    THR  88           H        THR  88  -2.487   0.660  10.197
  670    HA   THR  88           HA       THR  88  -1.579  -0.045   7.584
  671    HB   THR  88           HB       THR  88   0.312   1.404   8.123
  672    HG1  THR  88           HG1      THR  88   0.788  -0.796   7.395
  673   1HG2  THR  88          1HG2      THR  88   0.480  -0.054  10.806
  674   2HG2  THR  88          2HG2      THR  88   1.648   1.128  10.204
  675   3HG2  THR  88          3HG2      THR  88  -0.003   1.639  10.575
  676    H    ILE  89           H        ILE  89  -0.778  -2.270   7.531
  677    HA   ILE  89           HA       ILE  89  -1.056  -3.834  10.018
  678    HB   ILE  89           HB       ILE  89  -2.497  -4.513   7.413
  679   1HG1  ILE  89          1HG1      ILE  89  -3.766  -2.920   8.828
  680   2HG1  ILE  89          2HG1      ILE  89  -4.522  -4.499   8.649
  681   1HG2  ILE  89          1HG2      ILE  89  -3.290  -6.540   8.708
  682   2HG2  ILE  89          2HG2      ILE  89  -2.048  -6.178   9.922
  683   3HG2  ILE  89          3HG2      ILE  89  -1.587  -6.571   8.254
  684   1HD1  ILE  89          1HD1      ILE  89  -4.725  -3.595  10.946
  685   2HD1  ILE  89          2HD1      ILE  89  -3.902  -5.158  10.906
  686   3HD1  ILE  89          3HD1      ILE  89  -2.974  -3.663  11.140
  687    H    ILE  90           H        ILE  90   0.229  -5.678   9.947
  688    HA   ILE  90           HA       ILE  90   2.342  -5.798   7.835
  689    HB   ILE  90           HB       ILE  90   2.645  -5.934  10.880
  690   1HG1  ILE  90          1HG1      ILE  90   3.725  -3.861   8.930
  691   2HG1  ILE  90          2HG1      ILE  90   2.348  -3.611  10.008
  692   1HG2  ILE  90          1HG2      ILE  90   5.087  -6.152  10.419
  693   2HG2  ILE  90          2HG2      ILE  90   4.748  -6.223   8.681
  694   3HG2  ILE  90          3HG2      ILE  90   4.193  -7.506   9.770
  695   1HD1  ILE  90          1HD1      ILE  90   4.210  -2.581  11.032
  696   2HD1  ILE  90          2HD1      ILE  90   3.873  -4.052  11.964
  697   3HD1  ILE  90          3HD1      ILE  90   5.243  -3.997  10.825
  698    H    GLY  91           H        GLY  91   2.846  -7.865   7.214
  699   1HA   GLY  91          1HA       GLY  91   3.303 -10.145   7.879
  700   2HA   GLY  91          2HA       GLY  91   1.862 -10.160   8.898
  701    H    ALA  92           H        ALA  92   2.471 -12.044   6.882
  702    HA   ALA  92           HA       ALA  92   1.053 -11.529   4.426
  703   1HB   ALA  92          1HB       ALA  92   2.980 -13.068   4.630
  704   2HB   ALA  92          2HB       ALA  92   1.537 -13.907   4.018
  705   3HB   ALA  92          3HB       ALA  92   2.034 -14.117   5.708
  706    H    VAL  93           H        VAL  93  -0.860 -10.787   6.158
  707    HA   VAL  93           HA       VAL  93  -2.666 -13.062   6.710
  708    HB   VAL  93           HB       VAL  93  -4.237 -11.389   7.497
  709   1HG1  VAL  93          1HG2      VAL  93  -2.131  -9.289   6.809
  710   2HG1  VAL  93          2HG2      VAL  93  -3.622  -9.030   7.730
  711   3HG1  VAL  93          3HG2      VAL  93  -3.714  -9.493   6.026
  712   1HG2  VAL  93          1HG1      VAL  93  -2.509 -12.316   9.019
  713   2HG2  VAL  93          2HG1      VAL  93  -1.442 -10.947   8.637
  714   3HG2  VAL  93          3HG1      VAL  93  -2.985 -10.668   9.465
  715    HA   PRO  94           HA       PRO  94  -4.240 -13.021   2.589
  716   1HB   PRO  94          2HB       PRO  94  -7.021 -13.224   3.675
  717   2HB   PRO  94          1HB       PRO  94  -6.239 -14.248   2.448
  718   1HG   PRO  94          1HG       PRO  94  -6.542 -15.165   5.009
  719   2HG   PRO  94          2HG       PRO  94  -5.048 -15.486   4.081
  720   1HD   PRO  94          2HD       PRO  94  -5.478 -13.437   6.250
  721   2HD   PRO  94          1HD       PRO  94  -4.076 -14.482   5.912
  722    H    LYS  95           HN       LYS  95  -5.151 -11.581   1.095
  723    HA   LYS  95           HA       LYS  95  -5.332  -8.909   1.869
  724   1HB   LYS  95          2HB       LYS  95  -4.751  -9.736  -0.424
  725   2HB   LYS  95          1HB       LYS  95  -6.444 -10.179  -0.668
  726   1HG   LYS  95          2HG       LYS  95  -5.995  -8.066  -1.747
  727   2HG   LYS  95          1HG       LYS  95  -7.086  -7.781  -0.397
  728   1HD   LYS  95          1HD       LYS  95  -5.028  -6.971   0.908
  729   2HD   LYS  95          2HD       LYS  95  -4.087  -7.208  -0.570
  730   1HE   LYS  95          1HE       LYS  95  -5.602  -5.601  -1.748
  731   2HE   LYS  95          2HE       LYS  95  -6.541  -5.400  -0.260
  732   1HZ   LYS  95          1HZ       LYS  95  -4.967  -3.651  -0.560
  733   2HZ   LYS  95          2HZ       LYS  95  -3.707  -4.712  -0.569
  734   3HZ   LYS  95          3HZ       LYS  95  -4.610  -4.516   0.794
  735    H    ALA  96           H        ALA  96  -7.921 -11.342   1.450
  736    HA   ALA  96           HA       ALA  96 -10.195  -9.730   1.642
  737   1HB   ALA  96          1HB       ALA  96 -10.260 -12.184   1.395
  738   2HB   ALA  96          2HB       ALA  96  -9.674 -12.383   3.062
  739   3HB   ALA  96          3HB       ALA  96 -11.267 -11.659   2.759
  740    H    THR  97           H        THR  97  -8.076 -10.841   4.339
  741    HA   THR  97           HA       THR  97  -9.526  -9.731   6.484
  742    HB   THR  97           HB       THR  97  -6.502  -9.812   6.564
  743    HG1  THR  97           HG1      THR  97  -6.643 -11.544   5.391
  744   1HG2  THR  97          1HG2      THR  97  -8.659 -11.101   8.295
  745   2HG2  THR  97          2HG2      THR  97  -7.877  -9.534   8.628
  746   3HG2  THR  97          3HG2      THR  97  -6.920 -11.031   8.642
  747    H    ILE  98           H        ILE  98  -6.862  -8.488   4.469
  748    HA   ILE  98           HA       ILE  98  -6.569  -5.947   5.744
  749    HB   ILE  98           HB       ILE  98  -5.951  -6.893   2.903
  750   1HG1  ILE  98          1HG1      ILE  98  -4.625  -8.143   4.386
  751   2HG1  ILE  98          2HG1      ILE  98  -3.597  -6.875   3.735
  752   1HG2  ILE  98          1HG2      ILE  98  -6.128  -4.485   2.809
  753   2HG2  ILE  98          2HG2      ILE  98  -4.414  -4.890   2.860
  754   3HG2  ILE  98          3HG2      ILE  98  -5.230  -4.296   4.324
  755   1HD1  ILE  98          1HD1      ILE  98  -4.122  -5.559   5.922
  756   2HD1  ILE  98          2HD1      ILE  98  -3.066  -6.975   6.034
  757   3HD1  ILE  98          3HD1      ILE  98  -4.762  -7.096   6.531
  758    H    VAL  99           H        VAL  99  -8.535  -6.932   2.904
  759    HA   VAL  99           HA       VAL  99  -9.629  -4.430   2.249
  760    HB   VAL  99           HB       VAL  99 -10.677  -7.279   2.032
  761   1HG1  VAL  99          1HG1      VAL  99 -12.702  -5.990   2.105
  762   2HG1  VAL  99          2HG1      VAL  99 -12.364  -6.321   0.405
  763   3HG1  VAL  99          3HG1      VAL  99 -11.993  -4.719   1.085
  764   1HG2  VAL  99          1HG2      VAL  99  -8.690  -6.464   0.650
  765   2HG2  VAL  99          2HG2      VAL  99  -9.801  -5.319  -0.116
  766   3HG2  VAL  99          3HG2      VAL  99 -10.082  -7.075  -0.257
  767    H    GLN 100           H        GLN 100 -10.947  -6.956   4.481
  768    HA   GLN 100           HA       GLN 100 -13.169  -5.454   5.322
  769   1HB   GLN 100          1HB       GLN 100 -12.441  -7.895   5.810
  770   2HB   GLN 100          2HB       GLN 100 -11.593  -7.275   7.213
  771   1HG   GLN 100          2HG       GLN 100 -14.529  -6.589   6.743
  772   2HG   GLN 100          1HG       GLN 100 -14.073  -8.189   7.324
  773   1HE2  GLN 100          1HE2      GLN 100 -13.482  -4.677   8.180
  774   2HE2  GLN 100          2HE2      GLN 100 -13.426  -5.057   9.890
  775    H    THR 101           H        THR 101  -9.885  -5.595   6.682
  776    HA   THR 101           HA       THR 101 -10.281  -3.740   8.802
  777    HB   THR 101           HB       THR 101  -7.688  -4.329   7.298
  778    HG1  THR 101           HG1      THR 101  -8.635  -6.250   7.998
  779   1HG2  THR 101          1HG2      THR 101  -7.421  -2.479   8.845
  780   2HG2  THR 101          2HG2      THR 101  -8.275  -3.362  10.132
  781   3HG2  THR 101          3HG2      THR 101  -6.694  -3.925   9.559
  782    H    VAL 102           H        VAL 102  -9.427  -3.175   5.371
  783    HA   VAL 102           HA       VAL 102  -8.870  -0.358   5.709
  784    HB   VAL 102           HB       VAL 102  -9.472  -2.130   3.314
  785   1HG1  VAL 102          1HG1      VAL 102  -6.931  -0.633   4.097
  786   2HG1  VAL 102          2HG1      VAL 102  -7.122  -1.879   2.845
  787   3HG1  VAL 102          3HG1      VAL 102  -7.227  -2.310   4.557
  788   1HG2  VAL 102          1HG2      VAL 102  -8.749  -0.244   1.883
  789   2HG2  VAL 102          2HG2      VAL 102  -8.723   0.819   3.303
  790   3HG2  VAL 102          3HG2      VAL 102 -10.259   0.136   2.717
  791    H    GLU 103           HN       GLU 103 -11.688  -2.176   4.478
  792    HA   GLU 103           HA       GLU 103 -13.429  -0.011   4.026
  793   1HB   GLU 103          2HB       GLU 103 -13.931  -2.904   4.851
  794   2HB   GLU 103          1HB       GLU 103 -15.216  -1.775   4.403
  795   1HG   GLU 103          1HG       GLU 103 -14.223  -1.419   2.193
  796   2HG   GLU 103          2HG       GLU 103 -12.892  -2.517   2.565
  797    H    LYS 104           HN       LYS 104 -12.862  -1.878   6.994
  798    HA   LYS 104           HA       LYS 104 -14.736  -0.744   8.735
  799   1HB   LYS 104          1HB       LYS 104 -13.232  -2.548   9.398
  800   2HB   LYS 104          2HB       LYS 104 -11.836  -1.511   9.131
  801   1HG   LYS 104          2HG       LYS 104 -12.766  -0.015  11.044
  802   2HG   LYS 104          1HG       LYS 104 -13.787  -1.418  11.415
  803   1HD   LYS 104          2HD       LYS 104 -11.596  -2.786  11.375
  804   2HD   LYS 104          1HD       LYS 104 -10.736  -1.253  11.215
  805   1HE   LYS 104          2HE       LYS 104 -12.541  -2.080  13.548
  806   2HE   LYS 104          1HE       LYS 104 -10.772  -2.008  13.571
  807   1HZ   LYS 104          1HZ       LYS 104 -12.585   0.273  13.200
  808   2HZ   LYS 104          2HZ       LYS 104 -10.940   0.355  13.167
  809   3HZ   LYS 104          3HZ       LYS 104 -11.717  -0.076  14.555
  810    H    TYR 105           H        TYR 105 -11.556   0.609   7.713
  811    HA   TYR 105           HA       TYR 105 -11.863   2.974   9.432
  812   1HB   TYR 105          2HB       TYR 105  -9.899   2.327   7.232
  813   2HB   TYR 105          1HB       TYR 105  -9.734   3.646   8.397
  814    HD1  TYR 105           HD1      TYR 105 -10.391   2.016  10.944
  815    HD2  TYR 105           HD2      TYR 105  -7.905   1.204   7.509
  816    HE1  TYR 105           HE1      TYR 105  -8.962   0.535  12.315
  817    HE2  TYR 105           HE2      TYR 105  -6.498  -0.289   8.885
  818    HH   TYR 105           HH       TYR 105  -7.102  -0.837  12.356
  819    H    LEU 106           H        LEU 106 -11.757   2.336   5.886
  820    HA   LEU 106           HA       LEU 106 -12.894   5.013   5.291
  821   1HB   LEU 106          2HB       LEU 106 -11.915   2.736   3.520
  822   2HB   LEU 106          1HB       LEU 106 -12.678   4.218   2.937
  823    HG   LEU 106           HG       LEU 106 -10.708   5.179   4.712
  824   1HD1  LEU 106          1HD1      LEU 106 -10.671   4.889   1.686
  825   2HD1  LEU 106          2HD1      LEU 106  -9.657   6.000   2.644
  826   3HD1  LEU 106          3HD1      LEU 106 -11.420   6.206   2.617
  827   1HD2  LEU 106          1HD2      LEU 106  -8.644   4.127   3.951
  828   2HD2  LEU 106          2HD2      LEU 106  -9.683   2.927   4.749
  829   3HD2  LEU 106          3HD2      LEU 106  -9.567   2.967   2.971
  830    H    ASN 107           H        ASN 107 -14.600   4.300   6.662
  831    HA   ASN 107           HA       ASN 107 -16.731   2.644   5.364
  832   1HB   ASN 107          1HB       ASN 107 -16.001   2.402   7.840
  833   2HB   ASN 107          2HB       ASN 107 -16.861   3.919   8.117
  834   1HD2  ASN 107          2HD2      ASN 107 -19.099   3.388   6.264
  835   2HD2  ASN 107          1HD2      ASN 107 -20.027   2.075   7.003
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -3.290  -3.281 -11.534
    2   2H    MET   1          2H        MET   1  -2.938  -3.446 -13.129
    3   3H    MET   1          3H        MET   1  -2.219  -2.241 -12.240
    4    HA   MET   1           HA       MET   1  -3.951  -1.461 -13.721
    5   1HB   MET   1          2HB       MET   1  -5.449  -3.430 -13.348
    6   2HB   MET   1          1HB       MET   1  -5.761  -2.903 -11.698
    7   1HG   MET   1          1HG       MET   1  -7.584  -2.235 -13.171
    8   2HG   MET   1          2HG       MET   1  -6.761  -0.781 -12.624
    9   1HE   MET   1          1HE       MET   1  -7.566   0.903 -14.373
   10   2HE   MET   1          2HE       MET   1  -8.721  -0.384 -14.808
   11   3HE   MET   1          3HE       MET   1  -7.813   0.468 -16.079
   12    H    GLU   2           HN       GLU   2  -5.615  -1.235 -10.611
   13    HA   GLU   2           HA       GLU   2  -4.886   1.539 -10.407
   14   1HB   GLU   2          1HB       GLU   2  -6.119  -0.350  -8.358
   15   2HB   GLU   2          2HB       GLU   2  -6.083   1.418  -8.246
   16   1HG   GLU   2          2HG       GLU   2  -7.596  -0.246 -10.315
   17   2HG   GLU   2          1HG       GLU   2  -8.270   0.684  -8.974
   18    H    ALA   3           H        ALA   3  -3.788  -1.421  -8.810
   19    HA   ALA   3           HA       ALA   3  -2.017  -0.234  -6.924
   20   1HB   ALA   3          1HB       ALA   3  -1.868  -2.951  -8.276
   21   2HB   ALA   3          2HB       ALA   3  -2.765  -2.555  -6.792
   22   3HB   ALA   3          3HB       ALA   3  -0.999  -2.453  -6.809
   23    H    GLY   4           H        GLY   4  -0.850   1.454  -7.915
   24   1HA   GLY   4          1HA       GLY   4   0.885   0.995 -10.219
   25   2HA   GLY   4          2HA       GLY   4   0.877   2.402  -9.142
   26    H    ALA   5           H        ALA   5   3.346   1.857  -9.727
   27    HA   ALA   5           HA       ALA   5   4.481   0.218  -7.500
   28   1HB   ALA   5          1HB       ALA   5   5.597   0.637 -10.300
   29   2HB   ALA   5          2HB       ALA   5   4.908  -0.874  -9.662
   30   3HB   ALA   5          3HB       ALA   5   6.402  -0.215  -8.965
   31    H    VAL   6           H        VAL   6   5.982   1.362  -6.230
   32    HA   VAL   6           HA       VAL   6   6.888   4.003  -7.209
   33    HB   VAL   6           HB       VAL   6   6.374   4.920  -4.844
   34   1HG1  VAL   6          1HG1      VAL   6   5.709   2.910  -3.688
   35   2HG1  VAL   6          2HG1      VAL   6   4.358   4.034  -3.748
   36   3HG1  VAL   6          3HG1      VAL   6   4.374   2.621  -4.817
   37   1HG2  VAL   6          1HG2      VAL   6   4.135   5.624  -5.476
   38   2HG2  VAL   6          2HG2      VAL   6   5.303   5.788  -6.791
   39   3HG2  VAL   6          3HG2      VAL   6   4.141   4.454  -6.820
   40    H    ASN   7           H        ASN   7   8.385   5.025  -5.791
   41    HA   ASN   7           HA       ASN   7  10.125   3.416  -4.096
   42   1HB   ASN   7          2HB       ASN   7  11.256   2.958  -6.183
   43   2HB   ASN   7          1HB       ASN   7  10.855   4.576  -6.801
   44   1HD2  ASN   7          1HD2      ASN   7  13.137   2.822  -4.709
   45   2HD2  ASN   7          2HD2      ASN   7  14.286   4.127  -4.645
   46    H    ASP   8           HN       ASP   8  11.782   5.023  -3.305
   47    HA   ASP   8           HA       ASP   8  10.928   7.112  -1.839
   48   1HB   ASP   8          2HB       ASP   8  13.258   6.240  -1.932
   49   2HB   ASP   8          1HB       ASP   8  13.531   7.064  -3.453
   50    H    ASP   9           HN       ASP   9  12.138   7.480  -5.131
   51    HA   ASP   9           HA       ASP   9  11.733  10.277  -5.451
   52   1HB   ASP   9          2HB       ASP   9  13.050   8.973  -7.017
   53   2HB   ASP   9          1HB       ASP   9  11.658   8.025  -7.516
   54    H    THR  10           H        THR  10   9.682   7.796  -6.994
   55    HA   THR  10           HA       THR  10   7.602   9.562  -7.722
   56    HB   THR  10           HB       THR  10   6.385   7.320  -8.062
   57    HG1  THR  10           HG1      THR  10   7.997   5.563  -7.975
   58   1HG2  THR  10          1HG2      THR  10   7.698   8.459  -9.831
   59   2HG2  THR  10          2HG2      THR  10   9.168   7.638  -9.274
   60   3HG2  THR  10          3HG2      THR  10   7.824   6.697  -9.950
   61    H    PHE  11           H        PHE  11   8.051   7.657  -4.808
   62    HA   PHE  11           HA       PHE  11   5.645   7.526  -3.554
   63   1HB   PHE  11          2HB       PHE  11   7.918   6.870  -2.679
   64   2HB   PHE  11          1HB       PHE  11   8.212   8.538  -2.258
   65    HD1  PHE  11           HD1      PHE  11   7.798   9.142  -0.020
   66    HD2  PHE  11           HD2      PHE  11   5.775   5.736  -1.714
   67    HE1  PHE  11           HE1      PHE  11   7.001   8.492   2.229
   68    HE2  PHE  11           HE2      PHE  11   4.878   5.157   0.526
   69    HZ   PHE  11           HZ       PHE  11   5.487   6.535   2.502
   70    H    LYS  12           HN       LYS  12   7.736  10.301  -3.767
   71    HA   LYS  12           HA       LYS  12   6.366  12.132  -2.091
   72   1HB   LYS  12          2HB       LYS  12   7.928  12.773  -4.631
   73   2HB   LYS  12          1HB       LYS  12   7.505  13.908  -3.339
   74   1HG   LYS  12          1HG       LYS  12   8.798  12.435  -1.719
   75   2HG   LYS  12          2HG       LYS  12   9.292  11.452  -3.103
   76   1HD   LYS  12          2HD       LYS  12  10.301  13.502  -4.161
   77   2HD   LYS  12          1HD       LYS  12   9.912  14.403  -2.683
   78   1HE   LYS  12          1HE       LYS  12  12.229  13.687  -2.548
   79   2HE   LYS  12          2HE       LYS  12  11.302  12.739  -1.373
   80   1HZ   LYS  12          1HZ       LYS  12  12.790  11.355  -2.625
   81   2HZ   LYS  12          2HZ       LYS  12  12.138  11.860  -4.050
   82   3HZ   LYS  12          3HZ       LYS  12  11.248  10.953  -3.004
   83    H    ASN  13           H        ASN  13   6.031  11.695  -5.636
   84    HA   ASN  13           HA       ASN  13   3.873  13.628  -5.863
   85   1HB   ASN  13          1HB       ASN  13   4.873  11.473  -7.770
   86   2HB   ASN  13          2HB       ASN  13   3.794  12.800  -8.174
   87   1HD2  ASN  13          2HD2      ASN  13   5.631  14.671  -6.319
   88   2HD2  ASN  13          1HD2      ASN  13   6.942  14.976  -7.439
   89    H    VAL  14           H        VAL  14   4.110  10.089  -5.885
   90    HA   VAL  14           HA       VAL  14   1.264   9.748  -6.436
   91    HB   VAL  14           HB       VAL  14   3.617   7.859  -5.963
   92   1HG1  VAL  14          1HG1      VAL  14   3.846   9.223  -8.019
   93   2HG1  VAL  14          2HG1      VAL  14   3.525   7.537  -8.421
   94   3HG1  VAL  14          3HG1      VAL  14   2.218   8.733  -8.528
   95   1HG2  VAL  14          1HG2      VAL  14   2.200   6.132  -7.110
   96   2HG2  VAL  14          2HG2      VAL  14   1.658   6.550  -5.482
   97   3HG2  VAL  14          3HG2      VAL  14   0.802   7.206  -6.901
   98    H    VAL  15           H        VAL  15   3.136   9.834  -3.462
   99    HA   VAL  15           HA       VAL  15   0.773   8.665  -2.023
  100    HB   VAL  15           HB       VAL  15   3.667   8.396  -1.150
  101   1HG1  VAL  15          1HG1      VAL  15   1.125   6.914  -0.381
  102   2HG1  VAL  15          2HG1      VAL  15   1.929   8.176   0.581
  103   3HG1  VAL  15          3HG1      VAL  15   2.750   6.643   0.278
  104   1HG2  VAL  15          1HG2      VAL  15   1.994   6.471  -2.807
  105   2HG2  VAL  15          2HG2      VAL  15   3.496   6.039  -1.973
  106   3HG2  VAL  15          3HG2      VAL  15   3.521   7.220  -3.285
  107    H    LEU  16           H        LEU  16   3.643  10.836  -1.592
  108    HA   LEU  16           HA       LEU  16   2.534  11.895   0.867
  109   1HB   LEU  16          1HB       LEU  16   4.660  13.164  -0.893
  110   2HB   LEU  16          2HB       LEU  16   4.275  13.563   0.768
  111    HG   LEU  16           HG       LEU  16   5.467  10.928  -0.211
  112   1HD1  LEU  16          1HD1      LEU  16   6.586  13.107   1.613
  113   2HD1  LEU  16          2HD1      LEU  16   6.985  12.964  -0.104
  114   3HD1  LEU  16          3HD1      LEU  16   7.441  11.668   1.020
  115   1HD2  LEU  16          1HD2      LEU  16   5.711  10.435   2.244
  116   2HD2  LEU  16          2HD2      LEU  16   4.703  11.845   2.585
  117   3HD2  LEU  16          3HD2      LEU  16   4.024  10.438   1.719
  118    H    GLU  17           HN       GLU  17   2.791  13.348  -2.416
  119    HA   GLU  17           HA       GLU  17   1.275  15.698  -1.623
  120   1HB   GLU  17          1HB       GLU  17   2.184  14.622  -4.320
  121   2HB   GLU  17          2HB       GLU  17   1.459  16.216  -4.073
  122   1HG   GLU  17          1HG       GLU  17   3.283  16.938  -2.656
  123   2HG   GLU  17          2HG       GLU  17   4.007  15.329  -2.636
  124    H    SER  18           H        SER  18   0.213  12.532  -2.526
  125    HA   SER  18           HA       SER  18  -1.923  12.926  -4.155
  126   1HB   SER  18          1HB       SER  18  -1.860  11.018  -1.790
  127   2HB   SER  18          2HB       SER  18  -2.594  10.770  -3.399
  128    HG   SER  18           HG       SER  18  -0.581   9.842  -3.566
  129    H    SER  19           H        SER  19  -4.035  13.640  -3.972
  130    HA   SER  19           HA       SER  19  -4.906  15.081  -1.609
  131   1HB   SER  19          1HB       SER  19  -6.932  15.329  -3.217
  132   2HB   SER  19          2HB       SER  19  -5.383  16.032  -3.731
  133    HG   SER  19           HG       SER  19  -6.304  14.754  -5.405
  134    H    VAL  20           H        VAL  20  -6.288  12.475  -3.605
  135    HA   VAL  20           HA       VAL  20  -8.098  11.619  -1.475
  136    HB   VAL  20           HB       VAL  20  -8.947  10.049  -3.036
  137   1HG1  VAL  20          1HG2      VAL  20  -7.989   9.675  -5.285
  138   2HG1  VAL  20          2HG2      VAL  20  -6.904   9.102  -4.019
  139   3HG1  VAL  20          3HG2      VAL  20  -6.563  10.638  -4.847
  140   1HG2  VAL  20          1HG1      VAL  20  -8.287  12.565  -4.602
  141   2HG2  VAL  20          2HG1      VAL  20  -9.554  12.424  -3.362
  142   3HG2  VAL  20          3HG1      VAL  20  -9.650  11.460  -4.846
  143    HA   PRO  21           HA       PRO  21  -5.620   8.724   0.612
  144   1HB   PRO  21          1HB       PRO  21  -7.755   6.644   0.081
  145   2HB   PRO  21          2HB       PRO  21  -6.871   6.958   1.610
  146   1HG   PRO  21          2HG       PRO  21  -9.321   7.922   1.254
  147   2HG   PRO  21          1HG       PRO  21  -8.076   9.029   1.905
  148   1HD   PRO  21          1HD       PRO  21  -9.120   8.885  -0.949
  149   2HD   PRO  21          2HD       PRO  21  -8.760  10.302   0.079
  150    H    VAL  22           H        VAL  22  -4.351   6.863   0.508
  151    HA   VAL  22           HA       VAL  22  -3.949   5.579  -2.159
  152    HB   VAL  22           HB       VAL  22  -1.825   7.025  -0.519
  153   1HG1  VAL  22          1HG1      VAL  22  -1.680   5.553  -3.172
  154   2HG1  VAL  22          2HG1      VAL  22  -0.865   5.096  -1.653
  155   3HG1  VAL  22          3HG1      VAL  22  -0.384   6.564  -2.508
  156   1HG2  VAL  22          1HG2      VAL  22  -1.655   8.508  -2.495
  157   2HG2  VAL  22          2HG2      VAL  22  -3.138   7.795  -3.147
  158   3HG2  VAL  22          3HG2      VAL  22  -3.167   8.694  -1.613
  159    H    LEU  23           H        LEU  23  -3.909   3.404  -1.817
  160    HA   LEU  23           HA       LEU  23  -3.096   2.289   0.795
  161   1HB   LEU  23          2HB       LEU  23  -5.188   1.702  -0.489
  162   2HB   LEU  23          1HB       LEU  23  -4.230   0.896  -1.689
  163    HG   LEU  23           HG       LEU  23  -3.779   0.163   1.212
  164   1HD1  LEU  23          1HD2      LEU  23  -3.875  -1.401  -1.415
  165   2HD1  LEU  23          2HD2      LEU  23  -3.570  -2.144   0.160
  166   3HD1  LEU  23          3HD2      LEU  23  -2.405  -0.995  -0.504
  167   1HD2  LEU  23          1HD1      LEU  23  -6.171  -0.762  -0.401
  168   2HD2  LEU  23          2HD1      LEU  23  -6.190   0.229   1.085
  169   3HD2  LEU  23          3HD1      LEU  23  -5.628  -1.449   1.150
  170    H    VAL  24           H        VAL  24  -0.796   2.435   0.785
  171    HA   VAL  24           HA       VAL  24   0.602   1.374  -1.667
  172    HB   VAL  24           HB       VAL  24   1.385   3.498  -1.330
  173   1HG1  VAL  24          1HG2      VAL  24   2.302   4.350   0.800
  174   2HG1  VAL  24          2HG2      VAL  24   0.553   4.086   0.821
  175   3HG1  VAL  24          3HG2      VAL  24   1.641   2.922   1.625
  176   1HG2  VAL  24          1HG1      VAL  24   3.721   3.211  -0.863
  177   2HG2  VAL  24          2HG1      VAL  24   3.429   1.744   0.085
  178   3HG2  VAL  24          3HG1      VAL  24   3.134   1.746  -1.670
  179    H    ASP  25           HN       ASP  25   1.394  -0.639  -1.579
  180    HA   ASP  25           HA       ASP  25   1.741  -1.959   1.068
  181   1HB   ASP  25          1HB       ASP  25   0.329  -3.167  -0.555
  182   2HB   ASP  25          2HB       ASP  25   1.658  -3.133  -1.724
  183    H    PHE  26           H        PHE  26   3.739  -2.088   1.898
  184    HA   PHE  26           HA       PHE  26   6.077  -1.437   0.197
  185   1HB   PHE  26          1HB       PHE  26   5.821  -2.253   3.107
  186   2HB   PHE  26          2HB       PHE  26   7.329  -1.931   2.258
  187    HD1  PHE  26           HD1      PHE  26   8.293   0.130   2.852
  188    HD2  PHE  26           HD2      PHE  26   3.988  -0.051   2.508
  189    HE1  PHE  26           HE1      PHE  26   8.066   2.198   4.203
  190    HE2  PHE  26           HE2      PHE  26   3.833   2.177   3.484
  191    HZ   PHE  26           HZ       PHE  26   5.820   3.167   4.604
  192    H    TRP  27           H        TRP  27   6.934  -3.032  -1.066
  193    HA   TRP  27           HA       TRP  27   6.666  -5.868  -0.175
  194   1HB   TRP  27          2HB       TRP  27   5.911  -6.541  -2.330
  195   2HB   TRP  27          1HB       TRP  27   4.870  -5.218  -1.844
  196    HD1  TRP  27           HD1      TRP  27   5.755  -2.762  -2.927
  197    HE1  TRP  27           HE1      TRP  27   6.904  -2.203  -5.189
  198    HE3  TRP  27           HE3      TRP  27   6.977  -7.501  -4.370
  199    HZ2  TRP  27           HZ2      TRP  27   8.434  -3.659  -7.167
  200    HZ3  TRP  27           HZ3      TRP  27   8.092  -7.877  -6.550
  201    HH2  TRP  27           HH2      TRP  27   8.841  -5.976  -7.937
  202    H    ALA  28           H        ALA  28   7.869  -7.137  -2.185
  203    HA   ALA  28           HA       ALA  28  10.079  -5.846  -3.383
  204   1HB   ALA  28          1HB       ALA  28  11.139  -5.988  -1.150
  205   2HB   ALA  28          2HB       ALA  28  10.749  -7.725  -1.071
  206   3HB   ALA  28          3HB       ALA  28  11.910  -7.122  -2.270
  207    HA   PRO  29           HA       PRO  29   9.273  -9.506  -5.870
  208   1HB   PRO  29          1HB       PRO  29  11.805 -10.160  -6.840
  209   2HB   PRO  29          2HB       PRO  29  10.697  -8.908  -7.489
  210   1HG   PRO  29          2HG       PRO  29  12.979  -8.517  -5.534
  211   2HG   PRO  29          1HG       PRO  29  12.628  -7.564  -7.008
  212   1HD   PRO  29          2HD       PRO  29  11.809  -6.584  -4.649
  213   2HD   PRO  29          1HD       PRO  29  10.662  -6.623  -5.981
  214    H    TRP  30           H        TRP  30  12.055  -9.866  -3.605
  215    HA   TRP  30           HA       TRP  30  11.771 -12.742  -3.496
  216   1HB   TRP  30          2HB       TRP  30  13.158 -12.530  -1.451
  217   2HB   TRP  30          1HB       TRP  30  13.844 -11.769  -2.878
  218    HD1  TRP  30           HD1      TRP  30  14.634  -9.377  -2.654
  219    HE1  TRP  30           HE1      TRP  30  14.578  -7.551  -0.862
  220    HE3  TRP  30           HE3      TRP  30  11.472 -11.630   0.703
  221    HZ2  TRP  30           HZ2      TRP  30  13.217  -7.064   1.635
  222    HZ3  TRP  30           HZ3      TRP  30  10.754 -10.421   2.731
  223    HH2  TRP  30           HH2      TRP  30  11.558  -8.121   3.179
  224    H    CYS  31           H        CYS  31   9.754 -10.212  -2.250
  225    HA   CYS  31           HA       CYS  31   8.982 -11.623   0.199
  226   1HB   CYS  31          1HB       CYS  31   8.979  -9.118   0.018
  227   2HB   CYS  31          2HB       CYS  31   7.679  -9.252  -1.143
  228    H    GLY  32           H        GLY  32   8.478 -13.651  -0.994
  229   1HA   GLY  32          1HA       GLY  32   6.429 -14.205  -2.726
  230   2HA   GLY  32          2HA       GLY  32   6.722 -15.192  -1.288
  231    HA   PRO  33           HA       PRO  33   3.066 -13.840   0.912
  232   1HB   PRO  33          1HB       PRO  33   4.843 -11.894   2.438
  233   2HB   PRO  33          2HB       PRO  33   3.465 -12.832   3.090
  234   1HG   PRO  33          2HG       PRO  33   5.941 -13.769   3.437
  235   2HG   PRO  33          1HG       PRO  33   4.675 -14.864   2.801
  236   1HD   PRO  33          1HD       PRO  33   6.834 -13.345   1.286
  237   2HD   PRO  33          2HD       PRO  33   6.336 -15.048   1.070
  238    H    CYS  34           H        CYS  34   5.085 -11.177  -0.305
  239    HA   CYS  34           HA       CYS  34   2.890  -9.210  -0.264
  240   1HB   CYS  34          2HB       CYS  34   5.532  -8.972  -1.696
  241   2HB   CYS  34          1HB       CYS  34   4.333  -7.742  -1.316
  242    H    ARG  35           HN       ARG  35   4.892 -10.956  -2.636
  243    HA   ARG  35           HA       ARG  35   3.761 -10.139  -5.014
  244   1HB   ARG  35          1HB       ARG  35   5.756 -11.577  -4.798
  245   2HB   ARG  35          2HB       ARG  35   4.790 -12.916  -4.234
  246   1HG   ARG  35          1HG       ARG  35   5.401 -13.208  -6.591
  247   2HG   ARG  35          2HG       ARG  35   3.662 -13.190  -6.333
  248   1HD   ARG  35          1HD       ARG  35   3.696 -10.708  -7.096
  249   2HD   ARG  35          2HD       ARG  35   5.392 -10.968  -7.494
  250    HE   ARG  35           HE       ARG  35   4.753 -12.168  -9.350
  251   1HH1  ARG  35          1HH1      ARG  35   1.904 -11.813  -7.217
  252   2HH1  ARG  35          2HH1      ARG  35   0.802 -12.422  -8.412
  253   1HH2  ARG  35          1HH2      ARG  35   3.279 -12.956 -10.881
  254   2HH2  ARG  35          2HH2      ARG  35   1.581 -13.077 -10.515
  255    H    ILE  36           H        ILE  36   2.835 -12.917  -3.044
  256    HA   ILE  36           HA       ILE  36   0.658 -13.682  -4.773
  257    HB   ILE  36           HB       ILE  36  -0.025 -15.249  -3.043
  258   1HG1  ILE  36          2HG1      ILE  36   1.822 -15.285  -1.049
  259   2HG1  ILE  36          1HG1      ILE  36   1.671 -13.541  -1.265
  260   1HG2  ILE  36          1HG2      ILE  36   2.021 -16.559  -3.034
  261   2HG2  ILE  36          2HG2      ILE  36   3.002 -15.130  -3.397
  262   3HG2  ILE  36          3HG2      ILE  36   1.840 -15.737  -4.589
  263   1HD1  ILE  36          1HD1      ILE  36  -0.579 -15.531  -0.715
  264   2HD1  ILE  36          2HD1      ILE  36  -0.828 -13.793  -0.968
  265   3HD1  ILE  36          3HD1      ILE  36   0.103 -14.365   0.431
  266    H    ILE  37           H        ILE  37   0.643 -11.171  -2.198
  267    HA   ILE  37           HA       ILE  37  -2.340 -11.201  -2.318
  268    HB   ILE  37           HB       ILE  37  -2.305  -9.401  -0.730
  269   1HG1  ILE  37          2HG1      ILE  37   0.702  -9.715  -0.536
  270   2HG1  ILE  37          1HG1      ILE  37  -0.085  -8.382  -1.398
  271   1HG2  ILE  37          1HG2      ILE  37  -0.536 -11.701   0.197
  272   2HG2  ILE  37          2HG2      ILE  37  -1.653 -10.737   1.184
  273   3HG2  ILE  37          3HG2      ILE  37  -2.289 -11.821  -0.051
  274   1HD1  ILE  37          1HD1      ILE  37   0.522  -7.609   0.765
  275   2HD1  ILE  37          2HD1      ILE  37  -1.247  -7.755   0.718
  276   3HD1  ILE  37          3HD1      ILE  37  -0.268  -8.977   1.569
  277    H    ALA  38           H        ALA  38   0.420  -9.420  -3.639
  278    HA   ALA  38           HA       ALA  38  -0.518  -7.084  -4.465
  279   1HB   ALA  38          1HB       ALA  38   0.849  -7.214  -6.461
  280   2HB   ALA  38          2HB       ALA  38   1.667  -8.022  -5.112
  281   3HB   ALA  38          3HB       ALA  38   0.895  -8.979  -6.392
  282    HA   PRO  39           HA       PRO  39  -3.171  -8.576  -8.212
  283   1HB   PRO  39          1HB       PRO  39  -4.166 -11.260  -7.348
  284   2HB   PRO  39          2HB       PRO  39  -3.624 -10.737  -8.964
  285   1HG   PRO  39          1HG       PRO  39  -2.077 -12.387  -7.430
  286   2HG   PRO  39          2HG       PRO  39  -1.332 -11.058  -8.376
  287   1HD   PRO  39          1HD       PRO  39  -2.170 -11.001  -5.457
  288   2HD   PRO  39          2HD       PRO  39  -0.575 -10.610  -6.147
  289    H    VAL  40           H        VAL  40  -3.833  -9.822  -4.973
  290    HA   VAL  40           HA       VAL  40  -6.685  -9.443  -4.902
  291    HB   VAL  40           HB       VAL  40  -4.699  -9.668  -2.594
  292   1HG1  VAL  40          1HG1      VAL  40  -6.863  -8.815  -1.945
  293   2HG1  VAL  40          2HG1      VAL  40  -7.660 -10.209  -2.722
  294   3HG1  VAL  40          3HG1      VAL  40  -6.555 -10.440  -1.334
  295   1HG2  VAL  40          1HG2      VAL  40  -4.458 -11.643  -4.072
  296   2HG2  VAL  40          2HG2      VAL  40  -5.331 -12.072  -2.599
  297   3HG2  VAL  40          3HG2      VAL  40  -6.225 -11.829  -4.113
  298    H    VAL  41           H        VAL  41  -3.836  -7.681  -3.662
  299    HA   VAL  41           HA       VAL  41  -5.014  -5.375  -2.573
  300    HB   VAL  41           HB       VAL  41  -2.398  -5.762  -4.091
  301   1HG1  VAL  41          1HG1      VAL  41  -2.633  -7.129  -2.000
  302   2HG1  VAL  41          2HG1      VAL  41  -2.838  -5.624  -1.095
  303   3HG1  VAL  41          3HG1      VAL  41  -1.320  -5.958  -1.957
  304   1HG2  VAL  41          1HG2      VAL  41  -1.585  -3.710  -2.877
  305   2HG2  VAL  41          2HG2      VAL  41  -3.277  -3.357  -2.481
  306   3HG2  VAL  41          3HG2      VAL  41  -2.738  -3.440  -4.176
  307    H    ASP  42           HN       ASP  42  -4.018  -6.042  -5.948
  308    HA   ASP  42           HA       ASP  42  -4.803  -3.513  -6.953
  309   1HB   ASP  42          1HB       ASP  42  -3.329  -5.410  -7.879
  310   2HB   ASP  42          2HB       ASP  42  -4.760  -6.057  -8.639
  311    H    GLU  43           HN       GLU  43  -6.555  -6.705  -7.313
  312    HA   GLU  43           HA       GLU  43  -8.732  -5.490  -8.691
  313   1HB   GLU  43          1HB       GLU  43  -9.901  -7.510  -8.328
  314   2HB   GLU  43          2HB       GLU  43  -8.213  -7.927  -8.635
  315   1HG   GLU  43          1HG       GLU  43  -7.885  -8.178  -6.180
  316   2HG   GLU  43          2HG       GLU  43  -9.604  -7.852  -5.902
  317    H    ILE  44           H        ILE  44  -7.896  -5.720  -5.269
  318    HA   ILE  44           HA       ILE  44 -10.577  -4.937  -4.323
  319    HB   ILE  44           HB       ILE  44  -7.833  -4.961  -3.017
  320   1HG1  ILE  44          1HG1      ILE  44 -10.499  -6.371  -2.400
  321   2HG1  ILE  44          2HG1      ILE  44  -9.216  -7.052  -3.377
  322   1HG2  ILE  44          1HG2      ILE  44  -8.928  -4.243  -0.905
  323   2HG2  ILE  44          2HG2      ILE  44 -10.436  -3.980  -1.806
  324   3HG2  ILE  44          3HG2      ILE  44  -8.997  -2.971  -2.108
  325   1HD1  ILE  44          1HD1      ILE  44  -8.969  -7.971  -1.183
  326   2HD1  ILE  44          2HD1      ILE  44  -7.668  -6.767  -1.355
  327   3HD1  ILE  44          3HD1      ILE  44  -9.125  -6.393  -0.407
  328    H    ALA  45           H        ALA  45  -7.486  -3.183  -4.941
  329    HA   ALA  45           HA       ALA  45  -8.514  -0.578  -4.528
  330   1HB   ALA  45          1HB       ALA  45  -6.647   0.126  -5.950
  331   2HB   ALA  45          2HB       ALA  45  -6.169  -1.115  -4.751
  332   3HB   ALA  45          3HB       ALA  45  -6.367  -1.559  -6.455
  333    H    GLY  46           H        GLY  46  -8.748  -2.740  -7.347
  334   1HA   GLY  46          2HA       GLY  46  -9.889  -0.978  -9.248
  335   2HA   GLY  46          1HA       GLY  46 -10.161  -2.727  -9.147
  336    H    GLU  47           HN       GLU  47 -11.521  -3.231  -6.923
  337    HA   GLU  47           HA       GLU  47 -14.168  -2.404  -7.367
  338   1HB   GLU  47          1HB       GLU  47 -12.779  -3.387  -4.827
  339   2HB   GLU  47          2HB       GLU  47 -14.514  -3.181  -4.996
  340   1HG   GLU  47          1HG       GLU  47 -14.626  -4.850  -6.765
  341   2HG   GLU  47          2HG       GLU  47 -12.868  -5.010  -6.799
  342    H    TYR  48           H        TYR  48 -11.711  -1.061  -5.200
  343    HA   TYR  48           HA       TYR  48 -13.514   1.168  -4.358
  344   1HB   TYR  48          1HB       TYR  48 -10.705   0.451  -3.480
  345   2HB   TYR  48          2HB       TYR  48 -11.836   1.520  -2.647
  346    HD1  TYR  48           HD1      TYR  48 -10.284  -0.915  -1.506
  347    HD2  TYR  48           HD2      TYR  48 -14.278  -0.583  -3.121
  348    HE1  TYR  48           HE1      TYR  48 -11.116  -2.548   0.158
  349    HE2  TYR  48           HE2      TYR  48 -15.059  -2.272  -1.527
  350    HH   TYR  48           HH       TYR  48 -14.548  -3.279   0.521
  351    H    LYS  49           HN       LYS  49 -12.219   1.051  -7.158
  352    HA   LYS  49           HA       LYS  49 -10.164   2.932  -7.273
  353   1HB   LYS  49          2HB       LYS  49 -10.749   3.182  -9.658
  354   2HB   LYS  49          1HB       LYS  49 -10.712   1.526  -9.112
  355   1HG   LYS  49          2HG       LYS  49 -12.545   1.605 -10.520
  356   2HG   LYS  49          1HG       LYS  49 -13.301   1.655  -8.930
  357   1HD   LYS  49          2HD       LYS  49 -13.743   4.035  -9.137
  358   2HD   LYS  49          1HD       LYS  49 -12.722   4.153 -10.591
  359   1HE   LYS  49          2HE       LYS  49 -14.314   2.674 -11.800
  360   2HE   LYS  49          1HE       LYS  49 -15.311   2.552 -10.336
  361   1HZ   LYS  49          1HZ       LYS  49 -15.652   4.914 -10.454
  362   2HZ   LYS  49          2HZ       LYS  49 -14.723   5.025 -11.811
  363   3HZ   LYS  49          3HZ       LYS  49 -16.141   4.188 -11.849
  364    H    ASP  50           HN       ASP  50 -10.285   4.999  -8.432
  365    HA   ASP  50           HA       ASP  50 -10.826   7.196  -8.628
  366   1HB   ASP  50          2HB       ASP  50 -13.137   6.396  -9.196
  367   2HB   ASP  50          1HB       ASP  50 -13.610   6.580  -7.523
  368    H    LYS  51           HN       LYS  51 -12.297   5.872  -5.689
  369    HA   LYS  51           HA       LYS  51 -11.604   8.285  -4.142
  370   1HB   LYS  51          1HB       LYS  51 -12.395   5.584  -2.973
  371   2HB   LYS  51          2HB       LYS  51 -12.289   7.104  -2.164
  372   1HG   LYS  51          2HG       LYS  51 -14.576   6.816  -2.459
  373   2HG   LYS  51          1HG       LYS  51 -14.121   8.011  -3.674
  374   1HD   LYS  51          1HD       LYS  51 -15.765   6.401  -4.520
  375   2HD   LYS  51          2HD       LYS  51 -14.276   6.308  -5.436
  376   1HE   LYS  51          1HE       LYS  51 -13.636   4.249  -4.081
  377   2HE   LYS  51          2HE       LYS  51 -15.203   4.370  -3.257
  378   1HZ   LYS  51          1HZ       LYS  51 -14.686   3.962  -6.114
  379   2HZ   LYS  51          2HZ       LYS  51 -15.246   2.830  -5.056
  380   3HZ   LYS  51          3HZ       LYS  51 -16.200   4.115  -5.459
  381    H    LEU  52           H        LEU  52 -10.557   4.882  -4.107
  382    HA   LEU  52           HA       LEU  52  -8.259   5.590  -2.367
  383   1HB   LEU  52          1HB       LEU  52  -9.934   3.875  -1.670
  384   2HB   LEU  52          2HB       LEU  52  -9.502   2.914  -3.094
  385    HG   LEU  52           HG       LEU  52  -7.156   2.747  -2.198
  386   1HD1  LEU  52          1HD1      LEU  52  -8.462   4.197   0.138
  387   2HD1  LEU  52          2HD1      LEU  52  -6.987   4.654  -0.749
  388   3HD1  LEU  52          3HD1      LEU  52  -6.976   3.244   0.317
  389   1HD2  LEU  52          1HD2      LEU  52  -8.800   0.961  -1.876
  390   2HD2  LEU  52          2HD2      LEU  52  -7.789   1.113  -0.432
  391   3HD2  LEU  52          3HD2      LEU  52  -9.438   1.768  -0.424
  392    H    LYS  53           HN       LYS  53  -6.379   5.975  -3.401
  393    HA   LYS  53           HA       LYS  53  -5.758   4.739  -6.020
  394   1HB   LYS  53          2HB       LYS  53  -4.840   7.031  -4.528
  395   2HB   LYS  53          1HB       LYS  53  -3.479   5.928  -4.680
  396   1HG   LYS  53          1HG       LYS  53  -5.160   6.933  -7.011
  397   2HG   LYS  53          2HG       LYS  53  -3.605   7.591  -6.484
  398   1HD   LYS  53          2HD       LYS  53  -2.555   5.306  -6.886
  399   2HD   LYS  53          1HD       LYS  53  -4.103   4.771  -7.566
  400   1HE   LYS  53          1HE       LYS  53  -2.672   5.362  -9.377
  401   2HE   LYS  53          2HE       LYS  53  -3.969   6.564  -9.286
  402   1HZ   LYS  53          1HZ       LYS  53  -1.814   7.546  -9.631
  403   2HZ   LYS  53          2HZ       LYS  53  -2.430   8.031  -8.184
  404   3HZ   LYS  53          3HZ       LYS  53  -1.240   6.892  -8.232
  405    H    CYS  54           H        CYS  54  -3.653   3.350  -6.079
  406    HA   CYS  54           HA       CYS  54  -3.151   1.968  -3.534
  407   1HB   CYS  54          2HB       CYS  54  -5.053   0.785  -4.456
  408   2HB   CYS  54          1HB       CYS  54  -4.225   0.609  -6.022
  409    HG   CYS  54           HG       CYS  54  -4.122  -1.682  -4.841
  410    H    VAL  55           H        VAL  55  -1.129   0.893  -3.536
  411    HA   VAL  55           HA       VAL  55   0.478   1.101  -5.969
  412    HB   VAL  55           HB       VAL  55   1.895   2.600  -3.886
  413   1HG1  VAL  55          1HG1      VAL  55  -0.363   3.455  -3.237
  414   2HG1  VAL  55          2HG1      VAL  55   0.742   4.680  -3.864
  415   3HG1  VAL  55          3HG1      VAL  55  -0.558   4.091  -4.891
  416   1HG2  VAL  55          1HG2      VAL  55   1.018   3.320  -6.713
  417   2HG2  VAL  55          2HG2      VAL  55   2.539   2.518  -6.260
  418   3HG2  VAL  55          3HG2      VAL  55   2.215   4.176  -5.724
  419    H    LYS  56           HN       LYS  56   2.696   0.449  -5.674
  420    HA   LYS  56           HA       LYS  56   3.150  -1.346  -3.342
  421   1HB   LYS  56          2HB       LYS  56   3.600  -1.799  -6.298
  422   2HB   LYS  56          1HB       LYS  56   4.097  -2.899  -4.999
  423   1HG   LYS  56          2HG       LYS  56   1.712  -3.003  -4.220
  424   2HG   LYS  56          1HG       LYS  56   1.233  -2.123  -5.683
  425   1HD   LYS  56          1HD       LYS  56   2.831  -4.709  -5.698
  426   2HD   LYS  56          2HD       LYS  56   1.057  -4.634  -5.769
  427   1HE   LYS  56          1HE       LYS  56   1.200  -3.218  -7.837
  428   2HE   LYS  56          2HE       LYS  56   2.963  -3.359  -7.803
  429   1HZ   LYS  56          1HZ       LYS  56   1.995  -4.921  -9.286
  430   2HZ   LYS  56          2HZ       LYS  56   1.077  -5.584  -8.091
  431   3HZ   LYS  56          3HZ       LYS  56   2.721  -5.723  -8.042
  432    H    LEU  57           H        LEU  57   4.822  -0.542  -2.251
  433    HA   LEU  57           HA       LEU  57   6.902   1.106  -3.624
  434   1HB   LEU  57          1HB       LEU  57   5.960   2.047  -1.557
  435   2HB   LEU  57          2HB       LEU  57   6.488   0.615  -0.669
  436    HG   LEU  57           HG       LEU  57   8.852   1.474  -1.932
  437   1HD1  LEU  57          1HD2      LEU  57   8.615   0.664   0.376
  438   2HD1  LEU  57          2HD2      LEU  57   7.820   2.193   0.830
  439   3HD1  LEU  57          3HD2      LEU  57   9.519   2.184   0.308
  440   1HD2  LEU  57          1HD1      LEU  57   9.029   3.865  -1.468
  441   2HD2  LEU  57          2HD1      LEU  57   7.329   3.917  -0.972
  442   3HD2  LEU  57          3HD1      LEU  57   7.756   3.567  -2.663
  443    H    ASN  58           H        ASN  58   8.668   0.097  -4.394
  444    HA   ASN  58           HA       ASN  58   9.281  -2.630  -3.464
  445   1HB   ASN  58          2HB       ASN  58   9.691  -1.979  -5.786
  446   2HB   ASN  58          1HB       ASN  58  10.925  -0.837  -5.258
  447   1HD2  ASN  58          2HD2      ASN  58  10.526  -3.917  -6.433
  448   2HD2  ASN  58          1HD2      ASN  58  11.985  -4.654  -5.789
  449    H    THR  59           H        THR  59   9.912  -2.820  -1.513
  450    HA   THR  59           HA       THR  59  11.025  -0.920   0.255
  451    HB   THR  59           HB       THR  59  11.097  -3.980   0.225
  452    HG1  THR  59           HG1      THR  59   9.046  -3.300   0.232
  453   1HG2  THR  59          1HG2      THR  59  12.733  -3.272   1.823
  454   2HG2  THR  59          2HG2      THR  59  11.624  -2.053   2.491
  455   3HG2  THR  59          3HG2      THR  59  11.279  -3.793   2.685
  456    H    ASP  60           HN       ASP  60  12.539  -3.364  -1.760
  457    HA   ASP  60           HA       ASP  60  15.137  -3.377  -0.504
  458   1HB   ASP  60          2HB       ASP  60  13.797  -5.214  -1.669
  459   2HB   ASP  60          1HB       ASP  60  14.174  -4.428  -3.187
  460    H    GLU  61           HN       GLU  61  13.618  -1.924  -3.303
  461    HA   GLU  61           HA       GLU  61  15.981  -0.544  -4.322
  462   1HB   GLU  61          2HB       GLU  61  14.114  -1.512  -5.708
  463   2HB   GLU  61          1HB       GLU  61  13.025  -0.313  -4.979
  464   1HG   GLU  61          2HG       GLU  61  14.360   1.515  -6.000
  465   2HG   GLU  61          1HG       GLU  61  15.458   0.309  -6.682
  466    H    SER  62           H        SER  62  13.290   0.143  -2.136
  467    HA   SER  62           HA       SER  62  14.069   3.014  -1.914
  468   1HB   SER  62          2HB       SER  62  11.841   2.322  -2.992
  469   2HB   SER  62          1HB       SER  62  11.321   1.822  -1.382
  470    HG   SER  62           HG       SER  62  11.679   3.907  -0.662
  471    HA   PRO  63           HA       PRO  63  14.589   0.610   2.177
  472   1HB   PRO  63          1HB       PRO  63  17.219   1.342   2.632
  473   2HB   PRO  63          2HB       PRO  63  16.700  -0.166   1.818
  474   1HG   PRO  63          1HG       PRO  63  17.559   2.443   0.547
  475   2HG   PRO  63          2HG       PRO  63  18.073   0.784   0.112
  476   1HD   PRO  63          1HD       PRO  63  16.150   2.039  -1.278
  477   2HD   PRO  63          2HD       PRO  63  15.931   0.304  -0.867
  478    H    ASN  64           H        ASN  64  15.325   3.752   0.872
  479    HA   ASN  64           HA       ASN  64  15.701   5.378   3.145
  480   1HB   ASN  64          1HB       ASN  64  14.199   5.922   0.543
  481   2HB   ASN  64          2HB       ASN  64  14.526   7.153   1.772
  482   1HD2  ASN  64          2HD2      ASN  64  15.439   8.084  -0.270
  483   2HD2  ASN  64          1HD2      ASN  64  17.162   7.790  -0.560
  484    H    VAL  65           H        VAL  65  12.602   5.100   1.445
  485    HA   VAL  65           HA       VAL  65  10.939   6.087   3.470
  486    HB   VAL  65           HB       VAL  65  10.453   4.155   1.163
  487   1HG1  VAL  65          1HG2      VAL  65   8.617   3.886   2.728
  488   2HG1  VAL  65          2HG2      VAL  65   8.427   5.648   2.869
  489   3HG1  VAL  65          3HG2      VAL  65   8.072   4.816   1.333
  490   1HG2  VAL  65          1HG1      VAL  65   9.592   6.192   0.039
  491   2HG2  VAL  65          2HG1      VAL  65  10.036   7.162   1.461
  492   3HG2  VAL  65          3HG1      VAL  65  11.294   6.382   0.485
  493    H    ALA  66           H        ALA  66  11.760   2.744   2.637
  494    HA   ALA  66           HA       ALA  66  10.244   1.357   4.479
  495   1HB   ALA  66          1HB       ALA  66  11.901  -0.439   4.319
  496   2HB   ALA  66          2HB       ALA  66  13.114   0.694   3.739
  497   3HB   ALA  66          3HB       ALA  66  11.699   0.331   2.723
  498    H    SER  67           H        SER  67  13.552   2.645   5.046
  499    HA   SER  67           HA       SER  67  13.655   1.788   7.799
  500   1HB   SER  67          1HB       SER  67  15.720   3.131   7.878
  501   2HB   SER  67          2HB       SER  67  15.692   2.034   6.487
  502    HG   SER  67           HG       SER  67  15.074   3.829   5.187
  503    H    GLU  68           HN       GLU  68  13.020   4.906   6.210
  504    HA   GLU  68           HA       GLU  68  12.755   6.561   8.463
  505   1HB   GLU  68          1HB       GLU  68  11.240   6.524   5.827
  506   2HB   GLU  68          2HB       GLU  68  11.064   7.825   7.008
  507   1HG   GLU  68          2HG       GLU  68  13.294   8.556   6.767
  508   2HG   GLU  68          1HG       GLU  68  13.826   7.053   6.016
  509    H    TYR  69           H        TYR  69  10.218   4.522   6.919
  510    HA   TYR  69           HA       TYR  69   8.303   5.129   9.070
  511   1HB   TYR  69          2HB       TYR  69   8.309   3.437   6.563
  512   2HB   TYR  69          1HB       TYR  69   7.124   3.150   7.822
  513    HD1  TYR  69           HD1      TYR  69   5.351   4.737   8.316
  514    HD2  TYR  69           HD2      TYR  69   8.422   5.757   5.472
  515    HE1  TYR  69           HE1      TYR  69   4.255   6.924   7.906
  516    HE2  TYR  69           HE2      TYR  69   7.336   7.938   5.076
  517    HH   TYR  69           HH       TYR  69   5.645   9.390   5.734
  518    H    GLY  70           H        GLY  70  10.594   2.525   8.315
  519   1HA   GLY  70          2HA       GLY  70  11.629   1.141   9.850
  520   2HA   GLY  70          1HA       GLY  70  10.543   1.701  11.129
  521    H    ILE  71           H        ILE  71   9.971   0.175   7.911
  522    HA   ILE  71           HA       ILE  71   7.949  -1.599   9.048
  523    HB   ILE  71           HB       ILE  71   8.085  -2.607   6.709
  524   1HG1  ILE  71          2HG1      ILE  71   9.304  -0.005   5.873
  525   2HG1  ILE  71          1HG1      ILE  71  10.421  -1.312   6.307
  526   1HG2  ILE  71          1HG2      ILE  71   6.332  -1.069   7.519
  527   2HG2  ILE  71          2HG2      ILE  71   6.699  -0.741   5.821
  528   3HG2  ILE  71          3HG2      ILE  71   7.330   0.330   7.090
  529   1HD1  ILE  71          1HD1      ILE  71   9.571  -2.761   4.650
  530   2HD1  ILE  71          2HD1      ILE  71   8.152  -1.740   4.357
  531   3HD1  ILE  71          3HD1      ILE  71   9.768  -1.197   3.848
  532    H    ARG  72           HN       ARG  72   8.791  -2.911  10.537
  533    HA   ARG  72           HA       ARG  72  11.226  -4.449  10.137
  534   1HB   ARG  72          1HB       ARG  72  10.866  -5.249  12.320
  535   2HB   ARG  72          2HB       ARG  72  10.540  -3.525  12.301
  536   1HG   ARG  72          2HG       ARG  72   8.588  -5.808  12.727
  537   2HG   ARG  72          1HG       ARG  72   9.054  -4.517  13.810
  538   1HD   ARG  72          2HD       ARG  72   6.835  -4.077  13.100
  539   2HD   ARG  72          1HD       ARG  72   7.873  -2.867  12.328
  540    HE   ARG  72           HE       ARG  72   7.456  -5.297  10.754
  541   1HH1  ARG  72          2HH1      ARG  72   5.778  -2.318  11.612
  542   2HH1  ARG  72          1HH1      ARG  72   5.054  -2.108  10.037
  543   1HH2  ARG  72          1HH2      ARG  72   6.761  -4.864   8.590
  544   2HH2  ARG  72          2HH2      ARG  72   5.464  -3.754   8.347
  545    H    SER  73           H        SER  73  10.298  -5.114   8.056
  546    HA   SER  73           HA       SER  73  10.218  -7.143   6.880
  547   1HB   SER  73          1HB       SER  73   9.799  -8.565   8.930
  548   2HB   SER  73          2HB       SER  73   8.065  -8.175   8.776
  549    HG   SER  73           HG       SER  73   8.640 -10.114   7.680
  550    H    ILE  74           H        ILE  74   8.197  -8.179   5.771
  551    HA   ILE  74           HA       ILE  74   6.113  -6.206   5.162
  552    HB   ILE  74           HB       ILE  74   6.812  -6.392   2.642
  553   1HG1  ILE  74          1HG1      ILE  74   9.565  -6.909   3.765
  554   2HG1  ILE  74          2HG1      ILE  74   8.544  -8.171   3.049
  555   1HG2  ILE  74          1HG2      ILE  74   8.609  -4.792   4.490
  556   2HG2  ILE  74          2HG2      ILE  74   8.129  -4.372   2.836
  557   3HG2  ILE  74          3HG2      ILE  74   6.930  -4.345   4.126
  558   1HD1  ILE  74          1HD1      ILE  74   8.362  -6.820   0.963
  559   2HD1  ILE  74          2HD1      ILE  74   9.506  -5.640   1.640
  560   3HD1  ILE  74          3HD1      ILE  74  10.013  -7.295   1.314
  561    HA   PRO  75           HA       PRO  75   4.686  -6.366   2.715
  562   1HB   PRO  75          1HB       PRO  75   2.000  -6.798   2.681
  563   2HB   PRO  75          2HB       PRO  75   3.121  -7.586   1.550
  564   1HG   PRO  75          1HG       PRO  75   2.044  -8.659   4.153
  565   2HG   PRO  75          2HG       PRO  75   2.047  -9.493   2.566
  566   1HD   PRO  75          1HD       PRO  75   3.988 -10.030   4.379
  567   2HD   PRO  75          2HD       PRO  75   4.407  -9.797   2.659
  568    H    THR  76           H        THR  76   3.509  -4.542   3.225
  569    HA   THR  76           HA       THR  76   2.153  -4.262   5.757
  570    HB   THR  76           HB       THR  76   4.799  -2.836   5.345
  571    HG1  THR  76           HG1      THR  76   4.269  -5.026   6.526
  572   1HG2  THR  76          1HG2      THR  76   2.506  -2.312   7.294
  573   2HG2  THR  76          2HG2      THR  76   4.145  -1.688   7.520
  574   3HG2  THR  76          3HG2      THR  76   3.190  -1.167   6.123
  575    H    ILE  77           H        ILE  77   0.410  -3.579   4.804
  576    HA   ILE  77           HA       ILE  77   0.350  -1.673   2.554
  577    HB   ILE  77           HB       ILE  77  -1.762  -3.065   4.230
  578   1HG1  ILE  77          2HG1      ILE  77  -1.103  -3.368   1.268
  579   2HG1  ILE  77          1HG1      ILE  77  -0.410  -4.412   2.515
  580   1HG2  ILE  77          1HG2      ILE  77  -2.028  -1.110   1.926
  581   2HG2  ILE  77          2HG2      ILE  77  -2.630  -0.876   3.580
  582   3HG2  ILE  77          3HG2      ILE  77  -3.379  -2.088   2.557
  583   1HD1  ILE  77          1HD1      ILE  77  -3.372  -4.189   1.851
  584   2HD1  ILE  77          2HD1      ILE  77  -2.282  -5.541   1.522
  585   3HD1  ILE  77          3HD1      ILE  77  -2.687  -5.130   3.197
  586    H    MET  78           H        MET  78   0.195   0.537   2.934
  587    HA   MET  78           HA       MET  78  -0.633   1.446   5.660
  588   1HB   MET  78          1HB       MET  78   1.504   2.640   3.882
  589   2HB   MET  78          2HB       MET  78   0.823   3.404   5.333
  590   1HG   MET  78          1HG       MET  78   1.559   1.312   6.612
  591   2HG   MET  78          2HG       MET  78   2.475   0.891   5.171
  592   1HE   MET  78          1HE       MET  78   5.178   1.933   7.773
  593   2HE   MET  78          2HE       MET  78   3.723   0.925   7.915
  594   3HE   MET  78          3HE       MET  78   4.765   0.792   6.472
  595    H    VAL  79           H        VAL  79  -2.111   2.992   5.652
  596    HA   VAL  79           HA       VAL  79  -3.312   3.751   3.014
  597    HB   VAL  79           HB       VAL  79  -4.447   3.899   5.836
  598   1HG1  VAL  79          1HG1      VAL  79  -4.366   1.612   4.934
  599   2HG1  VAL  79          2HG1      VAL  79  -5.116   2.164   3.420
  600   3HG1  VAL  79          3HG1      VAL  79  -6.033   2.215   4.943
  601   1HG2  VAL  79          1HG2      VAL  79  -5.259   5.803   4.505
  602   2HG2  VAL  79          2HG2      VAL  79  -5.574   4.741   3.123
  603   3HG2  VAL  79          3HG2      VAL  79  -6.535   4.592   4.614
  604    H    PHE  80           H        PHE  80  -2.172   5.462   2.307
  605    HA   PHE  80           HA       PHE  80  -1.440   7.683   4.159
  606   1HB   PHE  80          1HB       PHE  80  -0.667   6.841   1.392
  607   2HB   PHE  80          2HB       PHE  80  -0.486   8.529   1.871
  608    HD1  PHE  80           HD1      PHE  80   1.305   9.249   3.263
  609    HD2  PHE  80           HD2      PHE  80   0.452   5.037   2.944
  610    HE1  PHE  80           HE1      PHE  80   3.470   8.732   4.339
  611    HE2  PHE  80           HE2      PHE  80   2.688   4.528   3.931
  612    HZ   PHE  80           HZ       PHE  80   4.164   6.352   4.661
  613    H    LYS  81           HN       LYS  81  -2.230   9.721   3.899
  614    HA   LYS  81           HA       LYS  81  -4.513  10.148   2.042
  615   1HB   LYS  81          2HB       LYS  81  -6.083  10.600   3.731
  616   2HB   LYS  81          1HB       LYS  81  -5.342   9.073   4.183
  617   1HG   LYS  81          1HG       LYS  81  -5.070  11.789   5.490
  618   2HG   LYS  81          2HG       LYS  81  -5.628  10.269   6.176
  619   1HD   LYS  81          1HD       LYS  81  -3.257   9.386   6.017
  620   2HD   LYS  81          2HD       LYS  81  -2.768  10.979   5.400
  621   1HE   LYS  81          1HE       LYS  81  -2.220  10.943   7.707
  622   2HE   LYS  81          2HE       LYS  81  -3.558  12.076   7.461
  623   1HZ   LYS  81          1HZ       LYS  81  -3.729   9.337   8.499
  624   2HZ   LYS  81          2HZ       LYS  81  -3.907  10.719   9.368
  625   3HZ   LYS  81          3HZ       LYS  81  -5.035  10.312   8.238
  626    H    GLY  82           H        GLY  82  -1.849  11.176   2.074
  627   1HA   GLY  82          2HA       GLY  82  -1.329  13.420   1.325
  628   2HA   GLY  82          1HA       GLY  82  -2.400  14.078   2.569
  629    H    GLY  83           H        GLY  83   0.778  13.201   1.855
  630   1HA   GLY  83          2HA       GLY  83   2.729  13.409   2.996
  631   2HA   GLY  83          1HA       GLY  83   1.839  14.178   4.306
  632    H    LYS  84           HN       LYS  84   0.477  12.522   5.601
  633    HA   LYS  84           HA       LYS  84   2.409  10.396   6.483
  634   1HB   LYS  84          2HB       LYS  84   0.224  11.880   7.996
  635   2HB   LYS  84          1HB       LYS  84   1.251  10.597   8.658
  636   1HG   LYS  84          1HG       LYS  84   3.277  11.964   8.203
  637   2HG   LYS  84          2HG       LYS  84   2.262  13.247   7.535
  638   1HD   LYS  84          1HD       LYS  84   2.867  13.841   9.776
  639   2HD   LYS  84          2HD       LYS  84   1.127  13.522   9.722
  640   1HE   LYS  84          2HE       LYS  84   1.463  11.318  10.772
  641   2HE   LYS  84          1HE       LYS  84   3.226  11.508  10.671
  642   1HZ   LYS  84          1HZ       LYS  84   1.402  13.186  12.243
  643   2HZ   LYS  84          2HZ       LYS  84   2.387  12.004  12.834
  644   3HZ   LYS  84          3HZ       LYS  84   3.040  13.359  12.162
  645    H    LYS  85           HN       LYS  85   1.407   8.607   7.647
  646    HA   LYS  85           HA       LYS  85  -0.622   7.264   6.013
  647   1HB   LYS  85          2HB       LYS  85  -0.077   5.312   7.237
  648   2HB   LYS  85          1HB       LYS  85   1.418   6.063   6.667
  649   1HG   LYS  85          2HG       LYS  85   1.819   7.019   8.916
  650   2HG   LYS  85          1HG       LYS  85   0.320   6.320   9.520
  651   1HD   LYS  85          1HD       LYS  85   2.740   4.791   8.470
  652   2HD   LYS  85          2HD       LYS  85   2.291   4.995  10.165
  653   1HE   LYS  85          1HE       LYS  85   0.767   3.422   8.041
  654   2HE   LYS  85          2HE       LYS  85   1.632   2.789   9.443
  655   1HZ   LYS  85          1HZ       LYS  85   0.052   3.936  10.848
  656   2HZ   LYS  85          2HZ       LYS  85  -0.698   2.863   9.847
  657   3HZ   LYS  85          3HZ       LYS  85  -0.773   4.473   9.525
  658    H    CYS  86           H        CYS  86  -2.393   6.159   7.098
  659    HA   CYS  86           HA       CYS  86  -3.493   7.577   9.505
  660   1HB   CYS  86          2HB       CYS  86  -4.716   7.875   7.264
  661   2HB   CYS  86          1HB       CYS  86  -5.087   6.155   7.316
  662    HG   CYS  86           HG       CYS  86  -5.895   6.441   9.993
  663    H    GLU  87           HN       GLU  87  -3.667   4.518   7.676
  664    HA   GLU  87           HA       GLU  87  -3.596   2.943  10.203
  665   1HB   GLU  87          1HB       GLU  87  -5.453   2.352   7.867
  666   2HB   GLU  87          2HB       GLU  87  -5.385   1.561   9.453
  667   1HG   GLU  87          1HG       GLU  87  -6.368   4.385   8.891
  668   2HG   GLU  87          2HG       GLU  87  -7.348   2.993   9.298
  669    H    THR  88           H        THR  88  -3.351   0.451   9.460
  670    HA   THR  88           HA       THR  88  -1.879   0.098   7.029
  671    HB   THR  88           HB       THR  88  -0.119   1.148   8.375
  672    HG1  THR  88           HG1      THR  88   0.469  -0.756   7.186
  673   1HG2  THR  88          1HG2      THR  88  -1.036   0.755  10.660
  674   2HG2  THR  88          2HG2      THR  88   0.640   0.206  10.532
  675   3HG2  THR  88          3HG2      THR  88  -0.677  -0.978  10.501
  676    H    ILE  89           H        ILE  89  -1.136  -2.211   6.794
  677    HA   ILE  89           HA       ILE  89  -2.454  -4.153   8.600
  678    HB   ILE  89           HB       ILE  89  -2.676  -4.514   5.586
  679   1HG1  ILE  89          2HG1      ILE  89  -4.780  -3.230   7.357
  680   2HG1  ILE  89          1HG1      ILE  89  -3.896  -2.425   6.049
  681   1HG2  ILE  89          1HG2      ILE  89  -2.860  -6.448   7.184
  682   2HG2  ILE  89          2HG2      ILE  89  -4.300  -6.198   6.205
  683   3HG2  ILE  89          3HG2      ILE  89  -4.283  -5.664   7.900
  684   1HD1  ILE  89          1HD1      ILE  89  -4.844  -4.012   4.401
  685   2HD1  ILE  89          2HD1      ILE  89  -6.056  -3.003   5.212
  686   3HD1  ILE  89          3HD1      ILE  89  -5.869  -4.698   5.683
  687    H    ILE  90           H        ILE  90  -0.878  -5.672   9.087
  688    HA   ILE  90           HA       ILE  90   1.581  -5.741   7.391
  689    HB   ILE  90           HB       ILE  90   1.186  -6.378  10.339
  690   1HG1  ILE  90          1HG1      ILE  90   2.541  -3.983   9.011
  691   2HG1  ILE  90          2HG1      ILE  90   0.960  -3.933   9.795
  692   1HG2  ILE  90          1HG2      ILE  90   3.026  -7.691   9.281
  693   2HG2  ILE  90          2HG2      ILE  90   3.727  -6.190   8.643
  694   3HG2  ILE  90          3HG2      ILE  90   3.670  -6.499  10.389
  695   1HD1  ILE  90          1HD1      ILE  90   3.596  -4.462  11.195
  696   2HD1  ILE  90          2HD1      ILE  90   1.992  -4.628  11.946
  697   3HD1  ILE  90          3HD1      ILE  90   2.537  -3.055  11.334
  698    H    GLY  91           H        GLY  91   2.286  -7.689   6.604
  699   1HA   GLY  91          2HA       GLY  91   2.489  -9.983   6.413
  700   2HA   GLY  91          1HA       GLY  91   1.296 -10.232   7.690
  701    H    ALA  92           H        ALA  92   1.485 -11.706   5.190
  702    HA   ALA  92           HA       ALA  92  -0.513 -10.742   3.335
  703   1HB   ALA  92          1HB       ALA  92  -0.183 -12.959   2.307
  704   2HB   ALA  92          2HB       ALA  92   1.350 -12.135   2.642
  705   3HB   ALA  92          3HB       ALA  92   0.811 -13.466   3.690
  706    H    VAL  93           H        VAL  93  -2.154 -10.345   5.123
  707    HA   VAL  93           HA       VAL  93  -3.502 -12.700   6.172
  708    HB   VAL  93           HB       VAL  93  -5.170 -11.156   7.026
  709   1HG1  VAL  93          1HG2      VAL  93  -3.703  -8.966   5.482
  710   2HG1  VAL  93          2HG2      VAL  93  -5.371  -9.526   5.231
  711   3HG1  VAL  93          3HG2      VAL  93  -4.936  -8.706   6.730
  712   1HG2  VAL  93          1HG1      VAL  93  -2.359 -10.053   7.435
  713   2HG2  VAL  93          2HG1      VAL  93  -3.029 -11.488   8.239
  714   3HG2  VAL  93          3HG1      VAL  93  -3.742  -9.893   8.528
  715    HA   PRO  94           HA       PRO  94  -5.923 -13.767   2.637
  716   1HB   PRO  94          1HB       PRO  94  -8.296 -13.909   4.508
  717   2HB   PRO  94          2HB       PRO  94  -7.803 -15.088   3.262
  718   1HG   PRO  94          1HG       PRO  94  -7.204 -15.554   5.867
  719   2HG   PRO  94          2HG       PRO  94  -5.975 -15.849   4.601
  720   1HD   PRO  94          2HD       PRO  94  -6.177 -13.501   6.487
  721   2HD   PRO  94          1HD       PRO  94  -4.753 -14.414   5.916
  722    H    LYS  95           HN       LYS  95  -7.555 -13.062   1.164
  723    HA   LYS  95           HA       LYS  95  -7.868 -10.343   0.885
  724   1HB   LYS  95          1HB       LYS  95  -9.546 -10.805  -0.768
  725   2HB   LYS  95          2HB       LYS  95  -8.174 -11.920  -0.951
  726   1HG   LYS  95          1HG       LYS  95  -9.564 -13.702   0.155
  727   2HG   LYS  95          2HG       LYS  95 -10.947 -12.596   0.115
  728   1HD   LYS  95          1HD       LYS  95  -9.371 -13.629  -2.280
  729   2HD   LYS  95          2HD       LYS  95 -10.996 -14.116  -1.799
  730   1HE   LYS  95          1HE       LYS  95 -10.158 -11.364  -2.854
  731   2HE   LYS  95          2HE       LYS  95 -11.123 -12.584  -3.679
  732   1HZ   LYS  95          1HZ       LYS  95 -12.484 -10.891  -2.757
  733   2HZ   LYS  95          2HZ       LYS  95 -12.803 -12.318  -1.997
  734   3HZ   LYS  95          3HZ       LYS  95 -11.907 -11.159  -1.239
  735    H    ALA  96           H        ALA  96 -10.235 -12.591   2.261
  736    HA   ALA  96           HA       ALA  96 -12.371 -10.852   2.758
  737   1HB   ALA  96          1HB       ALA  96 -12.974 -12.386   4.607
  738   2HB   ALA  96          2HB       ALA  96 -11.357 -13.117   4.542
  739   3HB   ALA  96          3HB       ALA  96 -12.467 -13.284   3.164
  740    H    THR  97           H        THR  97  -9.479 -11.449   4.859
  741    HA   THR  97           HA       THR  97 -10.254  -9.606   6.888
  742    HB   THR  97           HB       THR  97  -7.380  -9.851   6.696
  743    HG1  THR  97           HG1      THR  97  -7.598 -11.611   5.405
  744   1HG2  THR  97          1HG2      THR  97  -8.687  -9.688   8.787
  745   2HG2  THR  97          2HG2      THR  97  -7.659 -11.135   8.768
  746   3HG2  THR  97          3HG2      THR  97  -9.403 -11.287   8.464
  747    H    ILE  98           H        ILE  98  -8.124  -9.324   3.976
  748    HA   ILE  98           HA       ILE  98  -7.307  -6.650   4.422
  749    HB   ILE  98           HB       ILE  98  -7.814  -8.064   1.756
  750   1HG1  ILE  98          2HG1      ILE  98  -5.280  -7.652   3.412
  751   2HG1  ILE  98          1HG1      ILE  98  -6.140  -9.176   3.153
  752   1HG2  ILE  98          1HG2      ILE  98  -6.222  -5.524   2.365
  753   2HG2  ILE  98          2HG2      ILE  98  -6.381  -6.301   0.777
  754   3HG2  ILE  98          3HG2      ILE  98  -7.780  -5.556   1.519
  755   1HD1  ILE  98          1HD1      ILE  98  -4.262  -9.208   1.715
  756   2HD1  ILE  98          2HD1      ILE  98  -4.609  -7.605   1.063
  757   3HD1  ILE  98          3HD1      ILE  98  -5.691  -8.972   0.690
  758    H    VAL  99           H        VAL  99 -10.101  -7.797   2.467
  759    HA   VAL  99           HA       VAL  99 -11.271  -5.356   1.804
  760    HB   VAL  99           HB       VAL  99 -12.435  -8.109   2.401
  761   1HG1  VAL  99          1HG2      VAL  99 -13.922  -5.710   1.266
  762   2HG1  VAL  99          2HG2      VAL  99 -14.499  -7.384   1.226
  763   3HG1  VAL  99          3HG2      VAL  99 -14.304  -6.564   2.775
  764   1HG2  VAL  99          1HG1      VAL  99 -10.960  -7.858   0.394
  765   2HG2  VAL  99          2HG1      VAL  99 -12.632  -8.229  -0.046
  766   3HG2  VAL  99          3HG1      VAL  99 -12.021  -6.569  -0.201
  767    H    GLN 100           H        GLN 100 -12.178  -7.396   4.658
  768    HA   GLN 100           HA       GLN 100 -13.960  -5.541   5.812
  769   1HB   GLN 100          1HB       GLN 100 -12.144  -7.663   7.019
  770   2HB   GLN 100          2HB       GLN 100 -13.306  -6.745   7.990
  771   1HG   GLN 100          1HG       GLN 100 -15.175  -7.516   6.731
  772   2HG   GLN 100          2HG       GLN 100 -14.162  -8.275   5.498
  773   1HE2  GLN 100          1HE2      GLN 100 -12.607  -9.947   6.310
  774   2HE2  GLN 100          2HE2      GLN 100 -13.196 -11.070   7.549
  775    H    THR 101           H        THR 101 -10.436  -5.856   6.322
  776    HA   THR 101           HA       THR 101 -10.258  -3.808   8.306
  777    HB   THR 101           HB       THR 101  -8.141  -4.845   6.376
  778    HG1  THR 101           HG1      THR 101  -9.007  -6.500   7.583
  779   1HG2  THR 101          1HG2      THR 101  -7.977  -3.362   9.039
  780   2HG2  THR 101          2HG2      THR 101  -7.359  -2.835   7.451
  781   3HG2  THR 101          3HG2      THR 101  -6.615  -4.215   8.289
  782    H    VAL 102           H        VAL 102  -9.895  -3.658   4.694
  783    HA   VAL 102           HA       VAL 102  -9.194  -0.871   4.697
  784    HB   VAL 102           HB       VAL 102 -10.444  -2.612   2.532
  785   1HG1  VAL 102          1HG1      VAL 102  -8.187  -2.598   1.582
  786   2HG1  VAL 102          2HG1      VAL 102  -7.612  -1.516   2.870
  787   3HG1  VAL 102          3HG1      VAL 102  -8.075  -3.179   3.249
  788   1HG2  VAL 102          1HG2      VAL 102  -9.629  -0.749   0.996
  789   2HG2  VAL 102          2HG2      VAL 102  -9.355   0.249   2.429
  790   3HG2  VAL 102          3HG2      VAL 102 -10.998  -0.276   2.010
  791    H    GLU 103           HN       GLU 103 -12.333  -2.581   4.411
  792    HA   GLU 103           HA       GLU 103 -13.953  -0.287   4.109
  793   1HB   GLU 103          1HB       GLU 103 -14.493  -2.949   5.490
  794   2HB   GLU 103          2HB       GLU 103 -15.736  -1.756   5.137
  795   1HG   GLU 103          2HG       GLU 103 -13.954  -2.925   2.956
  796   2HG   GLU 103          1HG       GLU 103 -15.453  -3.701   3.480
  797    H    LYS 104           HN       LYS 104 -13.055  -2.004   7.094
  798    HA   LYS 104           HA       LYS 104 -14.183  -0.370   9.054
  799   1HB   LYS 104          2HB       LYS 104 -13.051  -2.465   9.559
  800   2HB   LYS 104          1HB       LYS 104 -11.540  -1.841   8.918
  801   1HG   LYS 104          2HG       LYS 104 -11.650  -0.082  10.864
  802   2HG   LYS 104          1HG       LYS 104 -12.843  -1.197  11.553
  803   1HD   LYS 104          2HD       LYS 104 -11.145  -3.047  11.287
  804   2HD   LYS 104          1HD       LYS 104 -10.005  -1.871  10.613
  805   1HE   LYS 104          1HE       LYS 104 -10.068  -0.578  12.744
  806   2HE   LYS 104          2HE       LYS 104 -11.173  -1.783  13.434
  807   1HZ   LYS 104          1HZ       LYS 104  -9.464  -3.424  13.137
  808   2HZ   LYS 104          2HZ       LYS 104  -8.442  -2.310  12.483
  809   3HZ   LYS 104          3HZ       LYS 104  -8.907  -2.175  14.057
  810    H    TYR 105           H        TYR 105 -10.969   0.025   7.474
  811    HA   TYR 105           HA       TYR 105 -10.350   2.504   8.846
  812   1HB   TYR 105          2HB       TYR 105  -9.285   1.215   6.312
  813   2HB   TYR 105          1HB       TYR 105  -8.521   2.579   7.132
  814    HD1  TYR 105           HD1      TYR 105  -9.388   0.841   9.908
  815    HD2  TYR 105           HD2      TYR 105  -6.946   0.358   6.398
  816    HE1  TYR 105           HE1      TYR 105  -7.805  -0.554  11.210
  817    HE2  TYR 105           HE2      TYR 105  -5.316  -0.983   7.723
  818    HH   TYR 105           HH       TYR 105  -4.792  -1.858   9.838
  819    H    LEU 106           H        LEU 106 -12.077   1.797   5.812
  820    HA   LEU 106           HA       LEU 106 -12.473   4.617   5.246
  821   1HB   LEU 106          1HB       LEU 106 -10.671   2.739   3.685
  822   2HB   LEU 106          2HB       LEU 106 -11.604   3.954   2.855
  823    HG   LEU 106           HG       LEU 106  -9.408   4.455   4.881
  824   1HD1  LEU 106          1HD2      LEU 106  -9.765   6.899   4.281
  825   2HD1  LEU 106          2HD2      LEU 106 -11.023   6.244   5.322
  826   3HD1  LEU 106          3HD2      LEU 106 -11.333   6.449   3.581
  827   1HD2  LEU 106          1HD1      LEU 106  -8.383   5.502   2.904
  828   2HD2  LEU 106          2HD1      LEU 106  -8.852   3.821   2.541
  829   3HD2  LEU 106          3HD1      LEU 106  -9.849   5.173   1.952
  830    H    ASN 107           H        ASN 107 -14.505   4.459   5.218
  831    HA   ASN 107           HA       ASN 107 -15.984   3.247   3.069
  832   1HB   ASN 107          1HB       ASN 107 -15.945   1.436   4.829
  833   2HB   ASN 107          2HB       ASN 107 -16.711   2.559   5.962
  834   1HD2  ASN 107          2HD2      ASN 107 -18.526   3.616   3.651
  835   2HD2  ASN 107          1HD2      ASN 107 -19.681   2.296   3.439
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -9.207   2.086  -7.196
    2   2H    MET   1          2H        MET   1  -8.017   2.845  -6.426
    3   3H    MET   1          3H        MET   1  -9.345   3.710  -6.915
    4    HA   MET   1           HA       MET   1  -8.765   3.189  -9.237
    5   1HB   MET   1          1HB       MET   1  -8.212   5.371  -8.315
    6   2HB   MET   1          2HB       MET   1  -6.762   4.753  -7.549
    7   1HG   MET   1          2HG       MET   1  -6.216   6.017  -9.534
    8   2HG   MET   1          1HG       MET   1  -5.772   4.330  -9.800
    9   1HE   MET   1          1HE       MET   1  -6.018   6.593 -12.079
   10   2HE   MET   1          2HE       MET   1  -5.493   4.913 -12.354
   11   3HE   MET   1          3HE       MET   1  -6.782   5.619 -13.355
   12    H    GLU   2           HN       GLU   2  -7.398   2.099 -10.667
   13    HA   GLU   2           HA       GLU   2  -6.311  -0.305  -9.826
   14   1HB   GLU   2          1HB       GLU   2  -5.132  -0.277 -12.085
   15   2HB   GLU   2          2HB       GLU   2  -6.882  -0.156 -12.099
   16   1HG   GLU   2          1HG       GLU   2  -5.250   2.401 -12.162
   17   2HG   GLU   2          2HG       GLU   2  -5.337   1.391 -13.607
   18    H    ALA   3           H        ALA   3  -4.230  -1.160  -9.943
   19    HA   ALA   3           HA       ALA   3  -2.520   0.008  -8.079
   20   1HB   ALA   3          1HB       ALA   3  -2.858  -2.386  -8.441
   21   2HB   ALA   3          2HB       ALA   3  -1.133  -1.961  -8.491
   22   3HB   ALA   3          3HB       ALA   3  -2.013  -2.292 -10.000
   23    H    GLY   4           H        GLY   4  -0.842   1.391  -8.210
   24   1HA   GLY   4          2HA       GLY   4   0.628   1.765 -10.800
   25   2HA   GLY   4          1HA       GLY   4   0.588   2.887  -9.427
   26    H    ALA   5           H        ALA   5   3.066   2.526  -9.851
   27    HA   ALA   5           HA       ALA   5   4.050   0.499  -7.925
   28   1HB   ALA   5          1HB       ALA   5   5.962   0.033  -9.415
   29   2HB   ALA   5          2HB       ALA   5   4.435  -0.471 -10.169
   30   3HB   ALA   5          3HB       ALA   5   5.231   1.033 -10.690
   31    H    VAL   6           H        VAL   6   5.769   1.382  -6.670
   32    HA   VAL   6           HA       VAL   6   6.683   4.103  -7.351
   33    HB   VAL   6           HB       VAL   6   6.269   4.714  -4.857
   34   1HG1  VAL   6          1HG1      VAL   6   5.634   2.493  -4.036
   35   2HG1  VAL   6          2HG1      VAL   6   4.194   2.504  -5.066
   36   3HG1  VAL   6          3HG1      VAL   6   4.365   3.689  -3.759
   37   1HG2  VAL   6          1HG2      VAL   6   5.153   5.870  -6.599
   38   2HG2  VAL   6          2HG2      VAL   6   3.976   4.560  -6.801
   39   3HG2  VAL   6          3HG2      VAL   6   4.003   5.510  -5.299
   40    H    ASN   7           H        ASN   7   8.218   4.853  -5.693
   41    HA   ASN   7           HA       ASN   7   9.789   2.921  -4.271
   42   1HB   ASN   7          1HB       ASN   7  11.076   2.778  -6.342
   43   2HB   ASN   7          2HB       ASN   7  10.655   4.450  -6.737
   44   1HD2  ASN   7          1HD2      ASN   7  12.639   2.775  -4.227
   45   2HD2  ASN   7          2HD2      ASN   7  13.940   3.939  -4.339
   46    H    ASP   8           HN       ASP   8  11.501   4.348  -3.167
   47    HA   ASP   8           HA       ASP   8  10.474   6.284  -1.501
   48   1HB   ASP   8          2HB       ASP   8  12.807   5.396  -1.375
   49   2HB   ASP   8          1HB       ASP   8  13.269   6.383  -2.749
   50    H    ASP   9           HN       ASP   9  12.188   7.106  -4.494
   51    HA   ASP   9           HA       ASP   9  11.786   9.882  -4.413
   52   1HB   ASP   9          1HB       ASP   9  12.169   7.971  -6.761
   53   2HB   ASP   9          2HB       ASP   9  12.208   9.730  -6.893
   54    H    THR  10           H        THR  10   9.738   7.446  -6.171
   55    HA   THR  10           HA       THR  10   7.981   9.496  -7.228
   56    HB   THR  10           HB       THR  10   6.723   7.388  -7.961
   57    HG1  THR  10           HG1      THR  10   8.179   5.517  -7.755
   58   1HG2  THR  10          1HG2      THR  10   8.443   6.759  -9.610
   59   2HG2  THR  10          2HG2      THR  10   8.427   8.518  -9.395
   60   3HG2  THR  10          3HG2      THR  10   9.704   7.541  -8.640
   61    H    PHE  11           H        PHE  11   7.911   7.273  -4.527
   62    HA   PHE  11           HA       PHE  11   5.385   7.088  -3.578
   63   1HB   PHE  11          1HB       PHE  11   7.392   6.206  -2.491
   64   2HB   PHE  11          2HB       PHE  11   7.920   7.804  -2.064
   65    HD1  PHE  11           HD1      PHE  11   5.349   5.216  -1.325
   66    HD2  PHE  11           HD2      PHE  11   7.271   8.860  -0.053
   67    HE1  PHE  11           HE1      PHE  11   4.431   4.911   0.961
   68    HE2  PHE  11           HE2      PHE  11   6.431   8.499   2.243
   69    HZ   PHE  11           HZ       PHE  11   4.990   6.544   2.753
   70    H    LYS  12           HN       LYS  12   7.539   9.787  -3.065
   71    HA   LYS  12           HA       LYS  12   6.079  11.606  -1.558
   72   1HB   LYS  12          1HB       LYS  12   7.722  12.157  -4.085
   73   2HB   LYS  12          2HB       LYS  12   7.221  13.351  -2.912
   74   1HG   LYS  12          1HG       LYS  12   9.116  10.957  -2.569
   75   2HG   LYS  12          2HG       LYS  12   9.583  12.645  -2.634
   76   1HD   LYS  12          2HD       LYS  12   8.513  13.100  -0.480
   77   2HD   LYS  12          1HD       LYS  12   7.914  11.435  -0.369
   78   1HE   LYS  12          1HE       LYS  12  10.873  12.133  -0.555
   79   2HE   LYS  12          2HE       LYS  12  10.003  11.854   0.962
   80   1HZ   LYS  12          1HZ       LYS  12   9.487   9.659   0.235
   81   2HZ   LYS  12          2HZ       LYS  12  10.246   9.878  -1.206
   82   3HZ   LYS  12          3HZ       LYS  12  11.113   9.879   0.186
   83    H    ASN  13           H        ASN  13   6.057  11.757  -5.109
   84    HA   ASN  13           HA       ASN  13   3.813  13.573  -5.295
   85   1HB   ASN  13          2HB       ASN  13   5.539  11.933  -7.152
   86   2HB   ASN  13          1HB       ASN  13   3.961  12.406  -7.740
   87   1HD2  ASN  13          2HD2      ASN  13   5.512  14.692  -5.449
   88   2HD2  ASN  13          1HD2      ASN  13   6.042  15.787  -6.710
   89    H    VAL  14           H        VAL  14   4.237  10.133  -5.694
   90    HA   VAL  14           HA       VAL  14   1.553   9.821  -6.829
   91    HB   VAL  14           HB       VAL  14   3.616   7.779  -5.908
   92   1HG1  VAL  14          1HG1      VAL  14   4.384   9.221  -7.810
   93   2HG1  VAL  14          2HG1      VAL  14   2.895   8.832  -8.687
   94   3HG1  VAL  14          3HG1      VAL  14   4.083   7.563  -8.336
   95   1HG2  VAL  14          1HG2      VAL  14   2.323   6.241  -7.445
   96   2HG2  VAL  14          2HG2      VAL  14   1.441   6.690  -5.974
   97   3HG2  VAL  14          3HG2      VAL  14   1.050   7.476  -7.524
   98    H    VAL  15           H        VAL  15   2.924   9.310  -3.606
   99    HA   VAL  15           HA       VAL  15   0.323   8.234  -2.640
  100    HB   VAL  15           HB       VAL  15   3.043   8.190  -1.280
  101   1HG1  VAL  15          1HG1      VAL  15   0.543   6.600  -0.675
  102   2HG1  VAL  15          2HG1      VAL  15   1.040   8.053   0.210
  103   3HG1  VAL  15          3HG1      VAL  15   2.079   6.641   0.230
  104   1HG2  VAL  15          1HG2      VAL  15   3.134   6.883  -3.380
  105   2HG2  VAL  15          2HG2      VAL  15   1.676   6.016  -2.888
  106   3HG2  VAL  15          3HG2      VAL  15   3.178   5.849  -1.961
  107    H    LEU  16           H        LEU  16   2.950  10.388  -1.412
  108    HA   LEU  16           HA       LEU  16   1.260  11.350   0.707
  109   1HB   LEU  16          1HB       LEU  16   3.718  12.736  -0.402
  110   2HB   LEU  16          2HB       LEU  16   2.991  12.917   1.188
  111    HG   LEU  16           HG       LEU  16   4.424  10.455   0.079
  112   1HD1  LEU  16          1HD1      LEU  16   5.076  12.335   2.383
  113   2HD1  LEU  16          2HD1      LEU  16   5.829  12.387   0.776
  114   3HD1  LEU  16          3HD1      LEU  16   6.062  10.968   1.818
  115   1HD2  LEU  16          1HD2      LEU  16   3.098  10.829   2.799
  116   2HD2  LEU  16          2HD2      LEU  16   2.589   9.674   1.546
  117   3HD2  LEU  16          3HD2      LEU  16   4.145   9.481   2.351
  118    H    GLU  17           HN       GLU  17   2.417  13.099  -2.275
  119    HA   GLU  17           HA       GLU  17   0.400  15.175  -1.834
  120   1HB   GLU  17          2HB       GLU  17   2.278  14.678  -4.179
  121   2HB   GLU  17          1HB       GLU  17   1.303  16.100  -3.883
  122   1HG   GLU  17          2HG       GLU  17   3.154  16.965  -2.973
  123   2HG   GLU  17          1HG       GLU  17   2.633  16.098  -1.529
  124    H    SER  18           H        SER  18  -0.939  12.711  -2.018
  125    HA   SER  18           HA       SER  18  -2.098  12.581  -4.762
  126   1HB   SER  18          2HB       SER  18  -1.544  10.458  -3.641
  127   2HB   SER  18          1HB       SER  18  -2.643  10.869  -2.304
  128    HG   SER  18           HG       SER  18  -4.184  10.068  -3.538
  129    H    SER  19           H        SER  19  -4.533  12.371  -4.732
  130    HA   SER  19           HA       SER  19  -5.797  14.581  -3.170
  131   1HB   SER  19          1HB       SER  19  -7.561  14.280  -4.986
  132   2HB   SER  19          2HB       SER  19  -5.980  14.870  -5.541
  133    HG   SER  19           HG       SER  19  -6.671  13.171  -6.881
  134    H    VAL  20           H        VAL  20  -6.868  11.567  -4.667
  135    HA   VAL  20           HA       VAL  20  -8.636  10.906  -2.427
  136    HB   VAL  20           HB       VAL  20  -9.221   8.927  -3.767
  137   1HG1  VAL  20          1HG2      VAL  20  -7.106   9.822  -5.768
  138   2HG1  VAL  20          2HG2      VAL  20  -7.055   8.353  -4.769
  139   3HG1  VAL  20          3HG2      VAL  20  -8.309   8.540  -5.997
  140   1HG2  VAL  20          1HG1      VAL  20 -10.217  10.088  -5.671
  141   2HG2  VAL  20          2HG1      VAL  20  -9.103  11.451  -5.476
  142   3HG2  VAL  20          3HG1      VAL  20 -10.316  11.103  -4.224
  143    HA   PRO  21           HA       PRO  21  -5.928   8.448  -0.031
  144   1HB   PRO  21          2HB       PRO  21  -7.868   6.166  -0.411
  145   2HB   PRO  21          1HB       PRO  21  -7.059   6.653   1.105
  146   1HG   PRO  21          1HG       PRO  21  -9.590   7.246   0.488
  147   2HG   PRO  21          2HG       PRO  21  -8.586   8.460   1.361
  148   1HD   PRO  21          1HD       PRO  21  -9.552   8.573  -1.448
  149   2HD   PRO  21          2HD       PRO  21  -8.930   9.869  -0.407
  150    H    VAL  22           H        VAL  22  -4.568   6.600   0.095
  151    HA   VAL  22           HA       VAL  22  -4.079   5.150  -2.463
  152    HB   VAL  22           HB       VAL  22  -1.942   6.779  -1.007
  153   1HG1  VAL  22          1HG1      VAL  22  -0.628   6.293  -3.060
  154   2HG1  VAL  22          2HG1      VAL  22  -1.956   5.305  -3.664
  155   3HG1  VAL  22          3HG1      VAL  22  -1.084   4.828  -2.182
  156   1HG2  VAL  22          1HG2      VAL  22  -3.365   8.424  -2.018
  157   2HG2  VAL  22          2HG2      VAL  22  -3.497   7.489  -3.525
  158   3HG2  VAL  22          3HG2      VAL  22  -1.959   8.225  -3.063
  159    H    LEU  23           H        LEU  23  -3.537   3.096  -2.062
  160    HA   LEU  23           HA       LEU  23  -2.760   2.196   0.686
  161   1HB   LEU  23          1HB       LEU  23  -4.864   1.319  -0.219
  162   2HB   LEU  23          2HB       LEU  23  -4.037   0.653  -1.619
  163    HG   LEU  23           HG       LEU  23  -3.549  -0.128   1.293
  164   1HD1  LEU  23          1HD2      LEU  23  -1.554  -0.767   0.074
  165   2HD1  LEU  23          2HD2      LEU  23  -2.539  -2.215   0.172
  166   3HD1  LEU  23          3HD2      LEU  23  -2.510  -1.279  -1.334
  167   1HD2  LEU  23          1HD1      LEU  23  -5.121  -1.536  -0.903
  168   2HD2  LEU  23          2HD1      LEU  23  -5.809  -0.731   0.523
  169   3HD2  LEU  23          3HD1      LEU  23  -4.810  -2.175   0.727
  170    H    VAL  24           H        VAL  24  -0.534   2.206   0.723
  171    HA   VAL  24           HA       VAL  24   0.981   1.378  -1.711
  172    HB   VAL  24           HB       VAL  24   1.960   2.495   0.946
  173   1HG1  VAL  24          1HG1      VAL  24   3.371   2.018  -1.723
  174   2HG1  VAL  24          2HG1      VAL  24   3.685   1.148  -0.207
  175   3HG1  VAL  24          3HG1      VAL  24   4.074   2.863  -0.332
  176   1HG2  VAL  24          1HG2      VAL  24   1.574   3.861  -1.744
  177   2HG2  VAL  24          2HG2      VAL  24   2.370   4.542  -0.308
  178   3HG2  VAL  24          3HG2      VAL  24   0.638   4.186  -0.264
  179    H    ASP  25           HN       ASP  25   1.691  -0.737  -1.811
  180    HA   ASP  25           HA       ASP  25   1.797  -2.351   0.708
  181   1HB   ASP  25          2HB       ASP  25   0.465  -3.396  -0.992
  182   2HB   ASP  25          1HB       ASP  25   1.705  -3.095  -2.212
  183    H    PHE  26           H        PHE  26   3.801  -2.343   1.651
  184    HA   PHE  26           HA       PHE  26   6.213  -1.679   0.050
  185   1HB   PHE  26          2HB       PHE  26   5.757  -2.477   2.948
  186   2HB   PHE  26          1HB       PHE  26   7.343  -2.307   2.220
  187    HD1  PHE  26           HD1      PHE  26   4.148  -0.226   2.357
  188    HD2  PHE  26           HD2      PHE  26   8.454  -0.339   2.735
  189    HE1  PHE  26           HE1      PHE  26   4.172   2.175   2.886
  190    HE2  PHE  26           HE2      PHE  26   8.442   2.037   3.394
  191    HZ   PHE  26           HZ       PHE  26   6.281   3.297   3.510
  192    H    TRP  27           H        TRP  27   6.972  -3.243  -1.254
  193    HA   TRP  27           HA       TRP  27   6.684  -6.117  -0.396
  194   1HB   TRP  27          2HB       TRP  27   6.036  -6.775  -2.563
  195   2HB   TRP  27          1HB       TRP  27   4.986  -5.436  -2.150
  196    HD1  TRP  27           HD1      TRP  27   5.930  -3.005  -3.198
  197    HE1  TRP  27           HE1      TRP  27   7.200  -2.457  -5.394
  198    HE3  TRP  27           HE3      TRP  27   7.376  -7.791  -4.604
  199    HZ2  TRP  27           HZ2      TRP  27   8.821  -3.910  -7.294
  200    HZ3  TRP  27           HZ3      TRP  27   8.299  -8.106  -6.795
  201    HH2  TRP  27           HH2      TRP  27   9.210  -6.234  -8.079
  202    H    ALA  28           H        ALA  28   7.973  -7.389  -2.199
  203    HA   ALA  28           HA       ALA  28  10.207  -6.163  -3.442
  204   1HB   ALA  28          1HB       ALA  28  10.849  -7.993  -1.108
  205   2HB   ALA  28          2HB       ALA  28  12.002  -7.363  -2.304
  206   3HB   ALA  28          3HB       ALA  28  11.202  -6.239  -1.180
  207    HA   PRO  29           HA       PRO  29   9.184  -9.749  -5.993
  208   1HB   PRO  29          2HB       PRO  29  12.138  -9.802  -5.867
  209   2HB   PRO  29          1HB       PRO  29  11.155 -10.371  -7.251
  210   1HG   PRO  29          1HG       PRO  29  12.306  -7.890  -7.232
  211   2HG   PRO  29          2HG       PRO  29  10.554  -7.960  -7.569
  212   1HD   PRO  29          2HD       PRO  29  11.966  -7.259  -4.973
  213   2HD   PRO  29          1HD       PRO  29  10.490  -6.590  -5.612
  214    H    TRP  30           H        TRP  30  11.974 -10.615  -3.850
  215    HA   TRP  30           HA       TRP  30  11.420 -13.384  -3.850
  216   1HB   TRP  30          2HB       TRP  30  12.797 -13.390  -1.770
  217   2HB   TRP  30          1HB       TRP  30  13.531 -12.541  -3.123
  218    HD1  TRP  30           HD1      TRP  30  14.288 -10.126  -2.745
  219    HE1  TRP  30           HE1      TRP  30  14.172  -8.419  -0.807
  220    HE3  TRP  30           HE3      TRP  30  11.211 -12.685   0.465
  221    HZ2  TRP  30           HZ2      TRP  30  12.846  -8.152   1.701
  222    HZ3  TRP  30           HZ3      TRP  30  10.439 -11.617   2.555
  223    HH2  TRP  30           HH2      TRP  30  11.180  -9.321   3.145
  224    H    CYS  31           H        CYS  31   9.636 -10.859  -2.345
  225    HA   CYS  31           HA       CYS  31   8.795 -12.302   0.057
  226   1HB   CYS  31          2HB       CYS  31   8.931  -9.855   0.007
  227   2HB   CYS  31          1HB       CYS  31   7.690  -9.825  -1.258
  228    H    GLY  32           H        GLY  32   8.087 -14.282  -0.930
  229   1HA   GLY  32          2HA       GLY  32   6.101 -14.874  -2.656
  230   2HA   GLY  32          1HA       GLY  32   6.220 -15.713  -1.110
  231    HA   PRO  33           HA       PRO  33   2.461 -14.105   0.383
  232   1HB   PRO  33          2HB       PRO  33   3.589 -12.113   2.279
  233   2HB   PRO  33          1HB       PRO  33   2.435 -13.427   2.592
  234   1HG   PRO  33          1HG       PRO  33   5.028 -13.686   3.354
  235   2HG   PRO  33          2HG       PRO  33   4.161 -15.060   2.601
  236   1HD   PRO  33          2HD       PRO  33   6.043 -13.099   1.274
  237   2HD   PRO  33          1HD       PRO  33   6.030 -14.874   1.168
  238    H    CYS  34           H        CYS  34   4.778 -11.504  -0.397
  239    HA   CYS  34           HA       CYS  34   2.849  -9.398  -0.855
  240   1HB   CYS  34          1HB       CYS  34   5.510  -9.576  -2.139
  241   2HB   CYS  34          2HB       CYS  34   4.459  -8.229  -1.867
  242    H    ARG  35           HN       ARG  35   4.714 -11.766  -2.897
  243    HA   ARG  35           HA       ARG  35   3.696 -10.971  -5.396
  244   1HB   ARG  35          2HB       ARG  35   4.561 -13.749  -4.440
  245   2HB   ARG  35          1HB       ARG  35   4.208 -13.286  -6.097
  246   1HG   ARG  35          2HG       ARG  35   6.017 -11.467  -5.835
  247   2HG   ARG  35          1HG       ARG  35   6.520 -12.347  -4.386
  248   1HD   ARG  35          1HD       ARG  35   6.303 -13.443  -7.232
  249   2HD   ARG  35          2HD       ARG  35   7.804 -13.073  -6.409
  250    HE   ARG  35           HE       ARG  35   6.140 -15.441  -6.147
  251   1HH1  ARG  35          2HH1      ARG  35   8.529 -13.471  -4.463
  252   2HH1  ARG  35          1HH1      ARG  35   9.041 -14.728  -3.371
  253   1HH2  ARG  35          1HH2      ARG  35   6.899 -17.163  -4.862
  254   2HH2  ARG  35          2HH2      ARG  35   8.169 -16.907  -3.695
  255    H    ILE  36           H        ILE  36   2.399 -13.441  -3.100
  256    HA   ILE  36           HA       ILE  36   0.186 -13.995  -4.929
  257    HB   ILE  36           HB       ILE  36  -0.659 -15.513  -3.241
  258   1HG1  ILE  36          2HG1      ILE  36   1.061 -15.950  -1.281
  259   2HG1  ILE  36          1HG1      ILE  36   1.408 -14.237  -1.468
  260   1HG2  ILE  36          1HG2      ILE  36   1.202 -17.068  -3.330
  261   2HG2  ILE  36          2HG2      ILE  36   2.360 -15.755  -3.604
  262   3HG2  ILE  36          3HG2      ILE  36   1.145 -16.147  -4.838
  263   1HD1  ILE  36          1HD1      ILE  36  -1.315 -15.503  -0.892
  264   2HD1  ILE  36          2HD1      ILE  36  -0.273 -14.697   0.294
  265   3HD1  ILE  36          3HD1      ILE  36  -1.028 -13.757  -0.997
  266    H    ILE  37           H        ILE  37   0.466 -11.799  -2.042
  267    HA   ILE  37           HA       ILE  37  -2.373 -11.334  -2.218
  268    HB   ILE  37           HB       ILE  37  -0.724 -11.254  -0.157
  269   1HG1  ILE  37          1HG1      ILE  37  -2.277  -9.733   1.016
  270   2HG1  ILE  37          2HG1      ILE  37  -3.051  -9.333  -0.527
  271   1HG2  ILE  37          1HG2      ILE  37   0.045  -9.086   0.495
  272   2HG2  ILE  37          2HG2      ILE  37   0.662  -9.378  -1.137
  273   3HG2  ILE  37          3HG2      ILE  37  -0.721  -8.297  -0.891
  274   1HD1  ILE  37          1HD1      ILE  37  -3.857 -11.612  -0.776
  275   2HD1  ILE  37          2HD1      ILE  37  -4.120 -11.191   0.909
  276   3HD1  ILE  37          3HD1      ILE  37  -2.739 -12.207   0.465
  277    H    ALA  38           H        ALA  38   0.476  -9.495  -3.393
  278    HA   ALA  38           HA       ALA  38  -0.487  -7.115  -4.066
  279   1HB   ALA  38          1HB       ALA  38   0.879  -7.230  -6.165
  280   2HB   ALA  38          2HB       ALA  38   1.723  -7.777  -4.707
  281   3HB   ALA  38          3HB       ALA  38   1.124  -8.960  -5.884
  282    HA   PRO  39           HA       PRO  39  -2.892  -8.427  -8.059
  283   1HB   PRO  39          1HB       PRO  39  -3.902 -11.155  -7.379
  284   2HB   PRO  39          2HB       PRO  39  -3.276 -10.552  -8.937
  285   1HG   PRO  39          1HG       PRO  39  -1.798 -12.258  -7.392
  286   2HG   PRO  39          2HG       PRO  39  -1.012 -10.881  -8.229
  287   1HD   PRO  39          1HD       PRO  39  -2.070 -10.939  -5.382
  288   2HD   PRO  39          2HD       PRO  39  -0.414 -10.536  -5.920
  289    H    VAL  40           H        VAL  40  -3.679  -9.665  -4.843
  290    HA   VAL  40           HA       VAL  40  -6.538  -9.261  -5.006
  291    HB   VAL  40           HB       VAL  40  -4.798  -9.621  -2.518
  292   1HG1  VAL  40          1HG1      VAL  40  -6.817 -10.538  -1.562
  293   2HG1  VAL  40          2HG1      VAL  40  -7.698 -10.208  -3.076
  294   3HG1  VAL  40          3HG1      VAL  40  -7.064  -8.863  -2.091
  295   1HG2  VAL  40          1HG2      VAL  40  -4.330 -11.523  -4.033
  296   2HG2  VAL  40          2HG2      VAL  40  -6.068 -11.719  -4.340
  297   3HG2  VAL  40          3HG2      VAL  40  -5.397 -12.048  -2.731
  298    H    VAL  41           H        VAL  41  -3.718  -7.576  -3.590
  299    HA   VAL  41           HA       VAL  41  -5.072  -5.321  -2.502
  300    HB   VAL  41           HB       VAL  41  -2.323  -5.331  -3.856
  301   1HG1  VAL  41          1HG1      VAL  41  -1.366  -5.734  -1.635
  302   2HG1  VAL  41          2HG1      VAL  41  -2.994  -5.964  -0.955
  303   3HG1  VAL  41          3HG1      VAL  41  -2.346  -7.093  -2.150
  304   1HG2  VAL  41          1HG2      VAL  41  -3.283  -3.061  -3.318
  305   2HG2  VAL  41          2HG2      VAL  41  -1.825  -3.444  -2.400
  306   3HG2  VAL  41          3HG2      VAL  41  -3.426  -3.568  -1.633
  307    H    ASP  42           HN       ASP  42  -3.642  -5.848  -5.708
  308    HA   ASP  42           HA       ASP  42  -4.355  -3.451  -6.981
  309   1HB   ASP  42          1HB       ASP  42  -4.125  -6.234  -8.208
  310   2HB   ASP  42          2HB       ASP  42  -4.038  -4.707  -9.085
  311    H    GLU  43           HN       GLU  43  -6.149  -6.626  -7.119
  312    HA   GLU  43           HA       GLU  43  -8.169  -5.578  -8.762
  313   1HB   GLU  43          1HB       GLU  43  -9.279  -7.525  -8.525
  314   2HB   GLU  43          2HB       GLU  43  -7.639  -8.051  -8.165
  315   1HG   GLU  43          2HG       GLU  43  -8.284  -7.901  -5.688
  316   2HG   GLU  43          1HG       GLU  43  -9.946  -7.585  -6.207
  317    H    ILE  44           H        ILE  44  -8.104  -5.863  -5.148
  318    HA   ILE  44           HA       ILE  44 -10.690  -4.860  -4.660
  319    HB   ILE  44           HB       ILE  44  -8.100  -4.563  -3.075
  320   1HG1  ILE  44          2HG1      ILE  44 -10.538  -6.345  -2.619
  321   2HG1  ILE  44          1HG1      ILE  44  -9.118  -6.889  -3.493
  322   1HG2  ILE  44          1HG2      ILE  44 -10.971  -3.933  -2.232
  323   2HG2  ILE  44          2HG2      ILE  44  -9.577  -3.970  -1.134
  324   3HG2  ILE  44          3HG2      ILE  44  -9.651  -2.755  -2.390
  325   1HD1  ILE  44          1HD1      ILE  44  -9.136  -6.014  -0.576
  326   2HD1  ILE  44          2HD1      ILE  44  -7.689  -6.442  -1.516
  327   3HD1  ILE  44          3HD1      ILE  44  -8.951  -7.647  -1.202
  328    H    ALA  45           H        ALA  45  -7.602  -3.026  -4.954
  329    HA   ALA  45           HA       ALA  45  -8.800  -0.439  -4.753
  330   1HB   ALA  45          1HB       ALA  45  -6.661   0.333  -5.609
  331   2HB   ALA  45          2HB       ALA  45  -6.447  -0.946  -4.401
  332   3HB   ALA  45          3HB       ALA  45  -6.255  -1.321  -6.138
  333    H    GLY  46           H        GLY  46  -8.417  -2.666  -7.531
  334   1HA   GLY  46          1HA       GLY  46  -8.951  -0.774  -9.622
  335   2HA   GLY  46          2HA       GLY  46  -9.125  -2.541  -9.681
  336    H    GLU  47           HN       GLU  47 -10.947  -2.943  -7.573
  337    HA   GLU  47           HA       GLU  47 -13.468  -2.277  -8.812
  338   1HB   GLU  47          2HB       GLU  47 -12.980  -3.268  -5.963
  339   2HB   GLU  47          1HB       GLU  47 -14.480  -3.287  -6.888
  340   1HG   GLU  47          2HG       GLU  47 -12.932  -4.669  -8.636
  341   2HG   GLU  47          1HG       GLU  47 -12.014  -4.993  -7.170
  342    H    TYR  48           H        TYR  48 -11.842  -1.180  -5.860
  343    HA   TYR  48           HA       TYR  48 -13.804   0.961  -5.374
  344   1HB   TYR  48          1HB       TYR  48 -11.216   0.253  -3.960
  345   2HB   TYR  48          2HB       TYR  48 -12.439   1.389  -3.390
  346    HD1  TYR  48           HD1      TYR  48 -11.792  -0.353  -1.413
  347    HD2  TYR  48           HD2      TYR  48 -14.455  -1.182  -4.718
  348    HE1  TYR  48           HE1      TYR  48 -12.922  -2.125  -0.107
  349    HE2  TYR  48           HE2      TYR  48 -15.347  -3.111  -3.526
  350    HH   TYR  48           HH       TYR  48 -15.055  -3.303  -0.085
  351    H    LYS  49           HN       LYS  49 -13.174   1.530  -7.661
  352    HA   LYS  49           HA       LYS  49 -10.946   2.797  -8.593
  353   1HB   LYS  49          2HB       LYS  49 -13.866   3.459  -9.126
  354   2HB   LYS  49          1HB       LYS  49 -12.506   4.093 -10.075
  355   1HG   LYS  49          2HG       LYS  49 -11.793   1.800 -10.638
  356   2HG   LYS  49          1HG       LYS  49 -13.112   1.144  -9.655
  357   1HD   LYS  49          2HD       LYS  49 -14.793   2.119 -11.120
  358   2HD   LYS  49          1HD       LYS  49 -13.540   2.927 -12.081
  359   1HE   LYS  49          1HE       LYS  49 -14.361   0.841 -13.165
  360   2HE   LYS  49          2HE       LYS  49 -12.626   0.779 -12.812
  361   1HZ   LYS  49          1HZ       LYS  49 -13.081  -0.546 -10.911
  362   2HZ   LYS  49          2HZ       LYS  49 -14.712  -0.440 -11.141
  363   3HZ   LYS  49          3HZ       LYS  49 -13.773  -1.244 -12.232
  364    H    ASP  50           HN       ASP  50 -13.685   4.660  -7.353
  365    HA   ASP  50           HA       ASP  50 -12.601   7.193  -7.365
  366   1HB   ASP  50          2HB       ASP  50 -14.962   6.666  -6.946
  367   2HB   ASP  50          1HB       ASP  50 -14.569   5.952  -5.387
  368    H    LYS  51           HN       LYS  51 -12.819   5.158  -4.495
  369    HA   LYS  51           HA       LYS  51 -11.567   7.141  -2.873
  370   1HB   LYS  51          1HB       LYS  51 -12.123   4.252  -2.230
  371   2HB   LYS  51          2HB       LYS  51 -11.810   5.524  -1.051
  372   1HG   LYS  51          1HG       LYS  51 -13.821   6.741  -1.795
  373   2HG   LYS  51          2HG       LYS  51 -14.242   5.443  -2.908
  374   1HD   LYS  51          2HD       LYS  51 -13.942   5.051   0.118
  375   2HD   LYS  51          1HD       LYS  51 -15.450   5.453  -0.701
  376   1HE   LYS  51          2HE       LYS  51 -15.630   3.172  -0.452
  377   2HE   LYS  51          1HE       LYS  51 -15.078   3.309  -2.128
  378   1HZ   LYS  51          1HZ       LYS  51 -13.446   2.702   0.253
  379   2HZ   LYS  51          2HZ       LYS  51 -12.859   2.773  -1.289
  380   3HZ   LYS  51          3HZ       LYS  51 -13.950   1.614  -0.869
  381    H    LEU  52           H        LEU  52 -10.285   3.883  -3.754
  382    HA   LEU  52           HA       LEU  52  -7.780   4.812  -2.320
  383   1HB   LEU  52          1HB       LEU  52  -9.302   3.329  -1.079
  384   2HB   LEU  52          2HB       LEU  52  -9.006   2.059  -2.278
  385    HG   LEU  52           HG       LEU  52  -6.628   2.012  -1.648
  386   1HD1  LEU  52          1HD2      LEU  52  -5.845   3.261   0.391
  387   2HD1  LEU  52          2HD2      LEU  52  -7.342   4.188   0.364
  388   3HD1  LEU  52          3HD2      LEU  52  -6.170   4.308  -0.981
  389   1HD2  LEU  52          1HD1      LEU  52  -8.318   0.691  -0.339
  390   2HD2  LEU  52          2HD1      LEU  52  -8.578   2.098   0.720
  391   3HD2  LEU  52          3HD1      LEU  52  -7.029   1.252   0.759
  392    H    LYS  53           HN       LYS  53  -6.078   5.015  -3.509
  393    HA   LYS  53           HA       LYS  53  -5.803   3.546  -6.051
  394   1HB   LYS  53          1HB       LYS  53  -5.510   6.038  -5.669
  395   2HB   LYS  53          2HB       LYS  53  -4.016   5.691  -4.826
  396   1HG   LYS  53          1HG       LYS  53  -4.459   4.625  -7.646
  397   2HG   LYS  53          2HG       LYS  53  -4.067   6.334  -7.388
  398   1HD   LYS  53          1HD       LYS  53  -1.971   5.757  -6.283
  399   2HD   LYS  53          2HD       LYS  53  -2.392   4.040  -6.328
  400   1HE   LYS  53          1HE       LYS  53  -0.792   4.541  -8.086
  401   2HE   LYS  53          2HE       LYS  53  -2.331   4.012  -8.777
  402   1HZ   LYS  53          1HZ       LYS  53  -2.845   6.313  -9.199
  403   2HZ   LYS  53          2HZ       LYS  53  -1.425   6.801  -8.518
  404   3HZ   LYS  53          3HZ       LYS  53  -1.413   5.911  -9.905
  405    H    CYS  54           H        CYS  54  -4.780   1.625  -6.116
  406    HA   CYS  54           HA       CYS  54  -3.095   0.777  -3.850
  407   1HB   CYS  54          1HB       CYS  54  -4.255  -1.043  -4.679
  408   2HB   CYS  54          2HB       CYS  54  -4.035  -0.574  -6.381
  409    HG   CYS  54           HG       CYS  54  -2.700  -2.771  -5.982
  410    H    VAL  55           H        VAL  55  -0.886   0.541  -3.798
  411    HA   VAL  55           HA       VAL  55   0.654   0.912  -6.238
  412    HB   VAL  55           HB       VAL  55   1.992   2.525  -4.244
  413   1HG1  VAL  55          1HG1      VAL  55  -0.200   3.074  -3.295
  414   2HG1  VAL  55          2HG1      VAL  55  -0.754   3.626  -4.893
  415   3HG1  VAL  55          3HG1      VAL  55   0.579   4.456  -4.091
  416   1HG2  VAL  55          1HG2      VAL  55   1.885   4.184  -6.086
  417   2HG2  VAL  55          2HG2      VAL  55   0.733   3.140  -6.941
  418   3HG2  VAL  55          3HG2      VAL  55   2.392   2.574  -6.649
  419    H    LYS  56           HN       LYS  56   2.949   0.464  -5.842
  420    HA   LYS  56           HA       LYS  56   3.378  -1.428  -3.587
  421   1HB   LYS  56          2HB       LYS  56   3.418  -1.812  -6.559
  422   2HB   LYS  56          1HB       LYS  56   4.503  -2.780  -5.551
  423   1HG   LYS  56          1HG       LYS  56   2.700  -3.656  -4.231
  424   2HG   LYS  56          2HG       LYS  56   1.504  -2.610  -5.009
  425   1HD   LYS  56          1HD       LYS  56   3.123  -4.748  -6.443
  426   2HD   LYS  56          2HD       LYS  56   1.494  -4.964  -5.763
  427   1HE   LYS  56          1HE       LYS  56   0.680  -3.059  -7.219
  428   2HE   LYS  56          2HE       LYS  56   2.260  -3.054  -8.024
  429   1HZ   LYS  56          1HZ       LYS  56   0.328  -5.261  -7.951
  430   2HZ   LYS  56          2HZ       LYS  56   0.725  -4.330  -9.240
  431   3HZ   LYS  56          3HZ       LYS  56   1.841  -5.365  -8.609
  432    H    LEU  57           H        LEU  57   5.131  -0.828  -2.534
  433    HA   LEU  57           HA       LEU  57   7.221   0.860  -3.876
  434   1HB   LEU  57          2HB       LEU  57   6.173   1.734  -1.745
  435   2HB   LEU  57          1HB       LEU  57   6.843   0.329  -0.945
  436    HG   LEU  57           HG       LEU  57   9.069   1.397  -2.155
  437   1HD1  LEU  57          1HD2      LEU  57   9.483   2.331   0.178
  438   2HD1  LEU  57          2HD2      LEU  57   7.784   2.011   0.534
  439   3HD1  LEU  57          3HD2      LEU  57   8.890   0.659   0.181
  440   1HD2  LEU  57          1HD1      LEU  57   8.976   3.832  -1.741
  441   2HD2  LEU  57          2HD1      LEU  57   7.728   3.377  -2.923
  442   3HD2  LEU  57          3HD1      LEU  57   7.290   3.707  -1.235
  443    H    ASN  58           H        ASN  58   8.995  -0.250  -4.582
  444    HA   ASN  58           HA       ASN  58   9.552  -2.924  -3.521
  445   1HB   ASN  58          1HB       ASN  58  10.122  -2.380  -5.846
  446   2HB   ASN  58          2HB       ASN  58  11.258  -1.145  -5.302
  447   1HD2  ASN  58          2HD2      ASN  58  11.149  -4.273  -6.397
  448   2HD2  ASN  58          1HD2      ASN  58  12.597  -4.887  -5.612
  449    H    THR  59           H        THR  59  10.197  -3.152  -1.573
  450    HA   THR  59           HA       THR  59  11.031  -1.099   0.191
  451    HB   THR  59           HB       THR  59  11.215  -4.146   0.360
  452    HG1  THR  59           HG1      THR  59   9.138  -3.479   0.050
  453   1HG2  THR  59          1HG2      THR  59  11.357  -2.035   2.529
  454   2HG2  THR  59          2HG2      THR  59  12.628  -3.196   2.070
  455   3HG2  THR  59          3HG2      THR  59  11.126  -3.786   2.800
  456    H    ASP  60           HN       ASP  60  12.847  -3.510  -1.657
  457    HA   ASP  60           HA       ASP  60  15.380  -3.186  -0.280
  458   1HB   ASP  60          2HB       ASP  60  14.797  -5.243  -1.361
  459   2HB   ASP  60          1HB       ASP  60  14.399  -4.430  -2.854
  460    H    GLU  61           HN       GLU  61  13.807  -1.818  -3.119
  461    HA   GLU  61           HA       GLU  61  16.049  -0.126  -3.909
  462   1HB   GLU  61          2HB       GLU  61  14.314  -1.225  -5.411
  463   2HB   GLU  61          1HB       GLU  61  13.131  -0.075  -4.753
  464   1HG   GLU  61          2HG       GLU  61  14.480   1.805  -5.662
  465   2HG   GLU  61          1HG       GLU  61  15.675   0.643  -6.243
  466    H    SER  62           H        SER  62  13.238   0.142  -1.847
  467    HA   SER  62           HA       SER  62  13.594   3.081  -1.440
  468   1HB   SER  62          2HB       SER  62  11.120   1.381  -1.130
  469   2HB   SER  62          1HB       SER  62  11.163   3.119  -1.186
  470    HG   SER  62           HG       SER  62  11.573   1.160  -3.164
  471    HA   PRO  63           HA       PRO  63  14.013   0.615   2.647
  472   1HB   PRO  63          1HB       PRO  63  16.647   1.075   3.216
  473   2HB   PRO  63          2HB       PRO  63  16.105  -0.297   2.195
  474   1HG   PRO  63          1HG       PRO  63  17.156   2.402   1.294
  475   2HG   PRO  63          2HG       PRO  63  17.631   0.783   0.700
  476   1HD   PRO  63          1HD       PRO  63  15.782   2.300  -0.621
  477   2HD   PRO  63          2HD       PRO  63  15.576   0.532  -0.483
  478    H    ASN  64           H        ASN  64  15.097   3.664   1.356
  479    HA   ASN  64           HA       ASN  64  15.515   5.261   3.613
  480   1HB   ASN  64          1HB       ASN  64  14.063   5.986   1.034
  481   2HB   ASN  64          2HB       ASN  64  14.679   7.155   2.212
  482   1HD2  ASN  64          1HD2      ASN  64  15.543   7.473  -0.354
  483   2HD2  ASN  64          2HD2      ASN  64  17.217   6.940  -0.477
  484    H    VAL  65           H        VAL  65  12.412   4.653   1.948
  485    HA   VAL  65           HA       VAL  65  10.786   6.101   3.783
  486    HB   VAL  65           HB       VAL  65  10.043   3.743   1.986
  487   1HG1  VAL  65          1HG2      VAL  65   8.328   4.337   3.679
  488   2HG1  VAL  65          2HG2      VAL  65   7.801   4.712   2.030
  489   3HG1  VAL  65          3HG2      VAL  65   8.357   6.016   3.109
  490   1HG2  VAL  65          1HG1      VAL  65  11.099   5.452   0.624
  491   2HG2  VAL  65          2HG1      VAL  65   9.347   5.529   0.382
  492   3HG2  VAL  65          3HG1      VAL  65  10.150   6.730   1.417
  493    H    ALA  66           H        ALA  66  11.300   2.618   3.400
  494    HA   ALA  66           HA       ALA  66   9.812   1.699   5.579
  495   1HB   ALA  66          1HB       ALA  66  11.219  -0.339   5.469
  496   2HB   ALA  66          2HB       ALA  66  10.737   0.226   3.857
  497   3HB   ALA  66          3HB       ALA  66  12.388   0.526   4.455
  498    H    SER  67           H        SER  67  13.265   2.687   5.619
  499    HA   SER  67           HA       SER  67  13.675   2.042   8.383
  500   1HB   SER  67          1HB       SER  67  15.714   3.434   8.172
  501   2HB   SER  67          2HB       SER  67  15.573   2.212   6.897
  502    HG   SER  67           HG       SER  67  14.859   3.833   5.488
  503    H    GLU  68           HN       GLU  68  12.971   5.136   6.728
  504    HA   GLU  68           HA       GLU  68  12.758   6.750   9.049
  505   1HB   GLU  68          2HB       GLU  68  11.330   6.849   6.356
  506   2HB   GLU  68          1HB       GLU  68  11.086   8.076   7.599
  507   1HG   GLU  68          2HG       GLU  68  13.842   7.353   6.493
  508   2HG   GLU  68          1HG       GLU  68  12.830   8.655   5.854
  509    H    TYR  69           H        TYR  69  10.337   4.628   7.542
  510    HA   TYR  69           HA       TYR  69   8.273   5.273   9.495
  511   1HB   TYR  69          1HB       TYR  69   8.593   3.485   7.115
  512   2HB   TYR  69          2HB       TYR  69   7.526   2.880   8.339
  513    HD1  TYR  69           HD1      TYR  69   7.939   5.353   5.704
  514    HD2  TYR  69           HD2      TYR  69   5.641   4.410   9.218
  515    HE1  TYR  69           HE1      TYR  69   6.240   7.035   5.042
  516    HE2  TYR  69           HE2      TYR  69   4.013   6.178   8.625
  517    HH   TYR  69           HH       TYR  69   3.468   7.839   7.137
  518    H    GLY  70           H        GLY  70  10.903   2.960   9.372
  519   1HA   GLY  70          1HA       GLY  70  11.823   1.829  11.161
  520   2HA   GLY  70          2HA       GLY  70  10.449   2.276  12.183
  521    H    ILE  71           H        ILE  71  10.406   0.627   8.968
  522    HA   ILE  71           HA       ILE  71   9.380  -1.854  10.252
  523    HB   ILE  71           HB       ILE  71   8.032  -2.051   8.169
  524   1HG1  ILE  71          1HG1      ILE  71   8.538   0.909   7.753
  525   2HG1  ILE  71          2HG1      ILE  71   9.396  -0.358   6.867
  526   1HG2  ILE  71          1HG2      ILE  71   6.210  -0.606   8.989
  527   2HG2  ILE  71          2HG2      ILE  71   7.372   0.420   9.849
  528   3HG2  ILE  71          3HG2      ILE  71   7.098  -1.254  10.368
  529   1HD1  ILE  71          1HD1      ILE  71   6.384  -0.001   6.827
  530   2HD1  ILE  71          2HD1      ILE  71   7.316  -1.224   5.936
  531   3HD1  ILE  71          3HD1      ILE  71   7.518   0.503   5.579
  532    H    ARG  72           HN       ARG  72   9.582  -3.690   8.645
  533    HA   ARG  72           HA       ARG  72  11.845  -3.570   6.791
  534   1HB   ARG  72          1HB       ARG  72  13.063  -3.781   8.863
  535   2HB   ARG  72          2HB       ARG  72  12.003  -5.069   9.448
  536   1HG   ARG  72          2HG       ARG  72  12.785  -6.610   7.729
  537   2HG   ARG  72          1HG       ARG  72  13.744  -5.329   6.955
  538   1HD   ARG  72          2HD       ARG  72  14.162  -6.394   9.783
  539   2HD   ARG  72          1HD       ARG  72  15.106  -6.871   8.352
  540    HE   ARG  72           HE       ARG  72  15.207  -4.065   8.506
  541   1HH1  ARG  72          2HH2      ARG  72  16.321  -6.850  10.363
  542   2HH1  ARG  72          1HH2      ARG  72  17.696  -6.030  11.050
  543   1HH2  ARG  72          1HH1      ARG  72  16.992  -2.969   9.394
  544   2HH2  ARG  72          2HH1      ARG  72  18.087  -3.777  10.481
  545    H    SER  73           H        SER  73   9.937  -5.935   8.805
  546    HA   SER  73           HA       SER  73   9.816  -7.906   6.845
  547   1HB   SER  73          2HB       SER  73   7.531  -7.436   8.743
  548   2HB   SER  73          1HB       SER  73   8.359  -8.948   8.332
  549    HG   SER  73           HG       SER  73  10.136  -8.258   9.563
  550    H    ILE  74           H        ILE  74   8.115  -8.517   5.402
  551    HA   ILE  74           HA       ILE  74   6.107  -6.530   4.690
  552    HB   ILE  74           HB       ILE  74   6.885  -6.810   2.226
  553   1HG1  ILE  74          1HG1      ILE  74   9.591  -7.360   3.470
  554   2HG1  ILE  74          2HG1      ILE  74   8.563  -8.618   2.757
  555   1HG2  ILE  74          1HG2      ILE  74   8.698  -5.175   4.055
  556   2HG2  ILE  74          2HG2      ILE  74   7.032  -4.715   3.660
  557   3HG2  ILE  74          3HG2      ILE  74   8.242  -4.818   2.385
  558   1HD1  ILE  74          1HD1      ILE  74   9.632  -6.164   1.294
  559   2HD1  ILE  74          2HD1      ILE  74   8.514  -7.373   0.615
  560   3HD1  ILE  74          3HD1      ILE  74  10.146  -7.837   1.093
  561    HA   PRO  75           HA       PRO  75   4.701  -6.688   2.434
  562   1HB   PRO  75          2HB       PRO  75   1.993  -7.111   2.433
  563   2HB   PRO  75          1HB       PRO  75   3.131  -7.738   1.228
  564   1HG   PRO  75          1HG       PRO  75   1.981  -9.120   3.662
  565   2HG   PRO  75          2HG       PRO  75   2.148  -9.801   2.017
  566   1HD   PRO  75          1HD       PRO  75   3.931 -10.334   4.052
  567   2HD   PRO  75          2HD       PRO  75   4.468 -10.203   2.356
  568    H    THR  76           H        THR  76   4.006  -4.852   3.156
  569    HA   THR  76           HA       THR  76   2.659  -4.538   5.766
  570    HB   THR  76           HB       THR  76   5.378  -3.355   5.095
  571    HG1  THR  76           HG1      THR  76   5.924  -4.826   6.511
  572   1HG2  THR  76          1HG2      THR  76   5.070  -2.093   7.257
  573   2HG2  THR  76          2HG2      THR  76   3.347  -2.512   7.214
  574   3HG2  THR  76          3HG2      THR  76   4.052  -1.495   5.936
  575    H    ILE  77           H        ILE  77   0.873  -3.705   4.976
  576    HA   ILE  77           HA       ILE  77   0.834  -1.942   2.616
  577    HB   ILE  77           HB       ILE  77  -1.236  -3.413   4.263
  578   1HG1  ILE  77          2HG1      ILE  77  -1.976  -4.156   1.990
  579   2HG1  ILE  77          1HG1      ILE  77  -0.609  -3.291   1.278
  580   1HG2  ILE  77          1HG2      ILE  77  -2.975  -2.264   2.812
  581   2HG2  ILE  77          2HG2      ILE  77  -2.262  -1.256   4.066
  582   3HG2  ILE  77          3HG2      ILE  77  -1.712  -1.085   2.387
  583   1HD1  ILE  77          1HD1      ILE  77  -0.381  -5.557   3.316
  584   2HD1  ILE  77          2HD1      ILE  77   0.955  -4.807   2.410
  585   3HD1  ILE  77          3HD1      ILE  77  -0.264  -5.756   1.555
  586    H    MET  78           H        MET  78   0.569   0.283   2.868
  587    HA   MET  78           HA       MET  78  -0.152   1.387   5.544
  588   1HB   MET  78          1HB       MET  78   2.024   2.335   3.661
  589   2HB   MET  78          2HB       MET  78   1.367   3.294   5.000
  590   1HG   MET  78          2HG       MET  78   1.926   1.434   6.569
  591   2HG   MET  78          1HG       MET  78   2.771   0.621   5.256
  592   1HE   MET  78          1HE       MET  78   3.601   1.974   8.424
  593   2HE   MET  78          2HE       MET  78   4.274   0.597   7.533
  594   3HE   MET  78          3HE       MET  78   5.329   1.950   8.012
  595    H    VAL  79           H        VAL  79  -1.874   2.628   5.380
  596    HA   VAL  79           HA       VAL  79  -2.822   3.378   2.654
  597    HB   VAL  79           HB       VAL  79  -4.269   3.213   5.331
  598   1HG1  VAL  79          1HG1      VAL  79  -5.615   1.491   4.178
  599   2HG1  VAL  79          2HG1      VAL  79  -4.634   1.687   2.711
  600   3HG1  VAL  79          3HG1      VAL  79  -3.904   1.032   4.194
  601   1HG2  VAL  79          1HG2      VAL  79  -5.152   5.162   4.123
  602   2HG2  VAL  79          2HG2      VAL  79  -6.289   3.830   3.961
  603   3HG2  VAL  79          3HG2      VAL  79  -5.205   4.250   2.612
  604    H    PHE  80           H        PHE  80  -3.118   5.493   2.132
  605    HA   PHE  80           HA       PHE  80  -2.553   7.603   4.151
  606   1HB   PHE  80          2HB       PHE  80  -1.701   7.589   1.241
  607   2HB   PHE  80          1HB       PHE  80  -1.526   8.888   2.397
  608    HD1  PHE  80           HD1      PHE  80  -0.449   5.325   1.800
  609    HD2  PHE  80           HD2      PHE  80   0.493   9.120   3.634
  610    HE1  PHE  80           HE1      PHE  80   1.672   4.394   2.646
  611    HE2  PHE  80           HE2      PHE  80   2.619   8.184   4.463
  612    HZ   PHE  80           HZ       PHE  80   3.158   5.778   4.095
  613    H    LYS  81           HN       LYS  81  -3.518   9.591   3.594
  614    HA   LYS  81           HA       LYS  81  -5.894   9.537   1.814
  615   1HB   LYS  81          2HB       LYS  81  -7.491   9.839   3.500
  616   2HB   LYS  81          1HB       LYS  81  -6.523   8.454   3.979
  617   1HG   LYS  81          1HG       LYS  81  -6.684  11.199   5.220
  618   2HG   LYS  81          2HG       LYS  81  -6.926   9.618   5.952
  619   1HD   LYS  81          1HD       LYS  81  -4.426   9.194   5.625
  620   2HD   LYS  81          2HD       LYS  81  -4.277  10.901   5.147
  621   1HE   LYS  81          2HE       LYS  81  -5.362   9.912   7.826
  622   2HE   LYS  81          1HE       LYS  81  -3.726  10.515   7.539
  623   1HZ   LYS  81          1HZ       LYS  81  -5.117  12.218   8.406
  624   2HZ   LYS  81          2HZ       LYS  81  -4.674  12.606   6.866
  625   3HZ   LYS  81          3HZ       LYS  81  -6.196  12.055   7.172
  626    H    GLY  82           H        GLY  82  -3.559  10.963   1.488
  627   1HA   GLY  82          2HA       GLY  82  -3.429  13.211   0.622
  628   2HA   GLY  82          1HA       GLY  82  -4.556  13.742   1.884
  629    H    GLY  83           H        GLY  83  -1.199  13.121   1.129
  630   1HA   GLY  83          2HA       GLY  83   0.696  13.759   2.195
  631   2HA   GLY  83          1HA       GLY  83  -0.281  14.682   3.333
  632    H    LYS  84           HN       LYS  84  -1.474  13.247   4.956
  633    HA   LYS  84           HA       LYS  84   0.629  11.734   6.359
  634   1HB   LYS  84          2HB       LYS  84  -2.212  12.392   7.209
  635   2HB   LYS  84          1HB       LYS  84  -0.927  11.792   8.257
  636   1HG   LYS  84          2HG       LYS  84  -0.979  14.506   6.851
  637   2HG   LYS  84          1HG       LYS  84  -1.275  14.185   8.562
  638   1HD   LYS  84          2HD       LYS  84   1.063  13.263   8.761
  639   2HD   LYS  84          1HD       LYS  84   1.361  13.752   7.078
  640   1HE   LYS  84          1HE       LYS  84   0.848  16.110   7.666
  641   2HE   LYS  84          2HE       LYS  84   0.576  15.629   9.353
  642   1HZ   LYS  84          1HZ       LYS  84   3.097  15.341   7.877
  643   2HZ   LYS  84          2HZ       LYS  84   2.764  16.483   9.017
  644   3HZ   LYS  84          3HZ       LYS  84   2.844  14.894   9.444
  645    H    LYS  85           HN       LYS  85   0.155   9.789   7.471
  646    HA   LYS  85           HA       LYS  85  -1.001   7.734   5.715
  647   1HB   LYS  85          2HB       LYS  85   1.287   7.527   6.802
  648   2HB   LYS  85          1HB       LYS  85   0.447   7.430   8.360
  649   1HG   LYS  85          2HG       LYS  85  -0.815   5.401   7.419
  650   2HG   LYS  85          1HG       LYS  85   0.169   5.559   5.960
  651   1HD   LYS  85          2HD       LYS  85   1.023   3.805   7.364
  652   2HD   LYS  85          1HD       LYS  85   2.211   5.110   7.280
  653   1HE   LYS  85          2HE       LYS  85   1.530   5.886   9.540
  654   2HE   LYS  85          1HE       LYS  85   0.200   4.713   9.565
  655   1HZ   LYS  85          1HZ       LYS  85   3.059   4.060   9.468
  656   2HZ   LYS  85          2HZ       LYS  85   2.094   3.982  10.802
  657   3HZ   LYS  85          3HZ       LYS  85   1.821   2.973   9.529
  658    H    CYS  86           H        CYS  86  -2.739   6.462   6.404
  659    HA   CYS  86           HA       CYS  86  -4.507   7.564   8.523
  660   1HB   CYS  86          2HB       CYS  86  -5.525   7.076   6.345
  661   2HB   CYS  86          1HB       CYS  86  -4.922   5.418   6.390
  662    HG   CYS  86           HG       CYS  86  -6.978   6.913   8.493
  663    H    GLU  87           HN       GLU  87  -3.585   4.292   7.428
  664    HA   GLU  87           HA       GLU  87  -2.683   3.435  10.073
  665   1HB   GLU  87          1HB       GLU  87  -5.167   2.350   8.690
  666   2HB   GLU  87          2HB       GLU  87  -4.354   1.478   9.998
  667   1HG   GLU  87          1HG       GLU  87  -5.702   4.186  10.252
  668   2HG   GLU  87          2HG       GLU  87  -6.330   2.640  10.803
  669    H    THR  88           H        THR  88  -2.452   0.769   9.724
  670    HA   THR  88           HA       THR  88  -1.278   0.225   7.103
  671    HB   THR  88           HB       THR  88   0.542   1.272   8.374
  672    HG1  THR  88           HG1      THR  88   1.002  -0.722   7.187
  673   1HG2  THR  88          1HG2      THR  88   1.376   0.312  10.498
  674   2HG2  THR  88          2HG2      THR  88  -0.003  -0.798  10.552
  675   3HG2  THR  88          3HG2      THR  88  -0.259   0.957  10.687
  676    H    ILE  89           H        ILE  89  -0.636  -2.139   6.960
  677    HA   ILE  89           HA       ILE  89  -1.991  -3.933   8.867
  678    HB   ILE  89           HB       ILE  89  -2.365  -4.335   5.871
  679   1HG1  ILE  89          2HG1      ILE  89  -4.390  -3.033   7.728
  680   2HG1  ILE  89          1HG1      ILE  89  -3.517  -2.213   6.418
  681   1HG2  ILE  89          1HG2      ILE  89  -2.541  -6.282   7.444
  682   2HG2  ILE  89          2HG2      ILE  89  -3.863  -5.444   8.282
  683   3HG2  ILE  89          3HG2      ILE  89  -4.039  -5.956   6.590
  684   1HD1  ILE  89          1HD1      ILE  89  -5.555  -4.424   6.047
  685   2HD1  ILE  89          2HD1      ILE  89  -5.678  -2.722   5.584
  686   3HD1  ILE  89          3HD1      ILE  89  -4.512  -3.774   4.761
  687    H    ILE  90           H        ILE  90  -0.732  -5.921   8.977
  688    HA   ILE  90           HA       ILE  90   1.696  -6.011   7.234
  689    HB   ILE  90           HB       ILE  90   1.516  -6.615  10.213
  690   1HG1  ILE  90          2HG1      ILE  90   2.919  -4.374   8.677
  691   2HG1  ILE  90          1HG1      ILE  90   1.511  -4.184   9.730
  692   1HG2  ILE  90          1HG2      ILE  90   3.888  -6.716   8.283
  693   2HG2  ILE  90          2HG2      ILE  90   3.953  -7.032  10.030
  694   3HG2  ILE  90          3HG2      ILE  90   3.079  -8.132   8.986
  695   1HD1  ILE  90          1HD1      ILE  90   4.324  -4.912  10.595
  696   2HD1  ILE  90          2HD1      ILE  90   3.388  -3.462  10.972
  697   3HD1  ILE  90          3HD1      ILE  90   2.895  -5.024  11.657
  698    H    GLY  91           H        GLY  91   2.109  -7.972   6.362
  699   1HA   GLY  91          2HA       GLY  91   2.047 -10.277   6.137
  700   2HA   GLY  91          1HA       GLY  91   0.825 -10.420   7.406
  701    H    ALA  92           H        ALA  92   0.795 -11.758   4.882
  702    HA   ALA  92           HA       ALA  92  -1.083 -10.440   3.074
  703   1HB   ALA  92          1HB       ALA  92   0.027 -13.275   3.217
  704   2HB   ALA  92          2HB       ALA  92   0.603 -11.941   2.185
  705   3HB   ALA  92          3HB       ALA  92  -1.000 -12.646   1.918
  706    H    VAL  93           H        VAL  93  -2.672  -9.978   4.829
  707    HA   VAL  93           HA       VAL  93  -4.113 -12.221   5.971
  708    HB   VAL  93           HB       VAL  93  -5.645 -10.571   6.861
  709   1HG1  VAL  93          1HG2      VAL  93  -5.938  -9.046   4.996
  710   2HG1  VAL  93          2HG2      VAL  93  -5.378  -8.143   6.398
  711   3HG1  VAL  93          3HG2      VAL  93  -4.246  -8.523   5.083
  712   1HG2  VAL  93          1HG1      VAL  93  -4.119  -9.275   8.212
  713   2HG2  VAL  93          2HG1      VAL  93  -2.803  -9.494   7.048
  714   3HG2  VAL  93          3HG1      VAL  93  -3.433 -10.888   7.951
  715    HA   PRO  94           HA       PRO  94  -6.772 -13.264   2.636
  716   1HB   PRO  94          2HB       PRO  94  -9.116 -12.969   4.513
  717   2HB   PRO  94          1HB       PRO  94  -8.784 -14.299   3.376
  718   1HG   PRO  94          1HG       PRO  94  -8.207 -14.610   6.016
  719   2HG   PRO  94          2HG       PRO  94  -7.019 -15.140   4.787
  720   1HD   PRO  94          1HD       PRO  94  -6.997 -12.600   6.426
  721   2HD   PRO  94          2HD       PRO  94  -5.662 -13.715   6.011
  722    H    LYS  95           HN       LYS  95  -8.217 -12.483   1.115
  723    HA   LYS  95           HA       LYS  95  -8.371  -9.823   0.502
  724   1HB   LYS  95          2HB       LYS  95  -8.850 -11.761  -0.997
  725   2HB   LYS  95          1HB       LYS  95 -10.366 -12.062  -0.140
  726   1HG   LYS  95          2HG       LYS  95 -11.116  -9.720  -0.884
  727   2HG   LYS  95          1HG       LYS  95  -9.693  -9.695  -1.927
  728   1HD   LYS  95          2HD       LYS  95 -11.977 -11.722  -1.990
  729   2HD   LYS  95          1HD       LYS  95 -11.700 -10.407  -3.140
  730   1HE   LYS  95          1HE       LYS  95  -9.518 -11.474  -3.791
  731   2HE   LYS  95          2HE       LYS  95  -9.896 -12.840  -2.723
  732   1HZ   LYS  95          1HZ       LYS  95 -11.482 -11.972  -5.026
  733   2HZ   LYS  95          2HZ       LYS  95 -10.491 -13.284  -4.962
  734   3HZ   LYS  95          3HZ       LYS  95 -11.849 -13.234  -4.029
  735    H    ALA  96           H        ALA  96 -10.884 -11.762   2.122
  736    HA   ALA  96           HA       ALA  96 -12.850  -9.751   2.460
  737   1HB   ALA  96          1HB       ALA  96 -13.683 -11.183   4.301
  738   2HB   ALA  96          2HB       ALA  96 -13.264 -12.149   2.873
  739   3HB   ALA  96          3HB       ALA  96 -12.171 -12.116   4.275
  740    H    THR  97           H        THR  97 -10.067 -10.680   4.557
  741    HA   THR  97           HA       THR  97 -10.648  -8.834   6.644
  742    HB   THR  97           HB       THR  97  -7.913  -9.936   5.890
  743    HG1  THR  97           HG1      THR  97 -10.069 -11.227   7.207
  744   1HG2  THR  97          1HG2      THR  97  -9.257  -9.337   8.568
  745   2HG2  THR  97          2HG2      THR  97  -7.631 -10.010   8.346
  746   3HG2  THR  97          3HG2      THR  97  -7.986  -8.362   7.799
  747    H    ILE  98           H        ILE  98  -8.530  -8.682   3.713
  748    HA   ILE  98           HA       ILE  98  -7.427  -6.114   4.204
  749    HB   ILE  98           HB       ILE  98  -8.106  -7.450   1.535
  750   1HG1  ILE  98          1HG1      ILE  98  -5.515  -7.245   3.132
  751   2HG1  ILE  98          2HG1      ILE  98  -6.504  -8.692   2.888
  752   1HG2  ILE  98          1HG2      ILE  98  -6.540  -5.786   0.546
  753   2HG2  ILE  98          2HG2      ILE  98  -7.885  -4.952   1.294
  754   3HG2  ILE  98          3HG2      ILE  98  -6.327  -5.031   2.137
  755   1HD1  ILE  98          1HD1      ILE  98  -6.097  -8.535   0.425
  756   2HD1  ILE  98          2HD1      ILE  98  -4.906  -7.250   0.760
  757   3HD1  ILE  98          3HD1      ILE  98  -4.669  -8.866   1.424
  758    H    VAL  99           H        VAL  99 -10.375  -6.986   2.311
  759    HA   VAL  99           HA       VAL  99 -11.271  -4.374   1.754
  760    HB   VAL  99           HB       VAL  99 -12.726  -7.012   2.209
  761   1HG1  VAL  99          1HG1      VAL  99 -14.713  -5.888   1.114
  762   2HG1  VAL  99          2HG1      VAL  99 -13.911  -4.332   1.429
  763   3HG1  VAL  99          3HG1      VAL  99 -14.412  -5.378   2.773
  764   1HG2  VAL  99          1HG2      VAL  99 -11.293  -6.802   0.183
  765   2HG2  VAL  99          2HG2      VAL  99 -13.007  -6.925  -0.233
  766   3HG2  VAL  99          3HG2      VAL  99 -12.194  -5.348  -0.293
  767    H    GLN 100           H        GLN 100 -12.303  -6.478   4.480
  768    HA   GLN 100           HA       GLN 100 -13.963  -4.687   5.789
  769   1HB   GLN 100          1HB       GLN 100 -13.509  -7.121   6.231
  770   2HB   GLN 100          2HB       GLN 100 -12.057  -6.694   7.110
  771   1HG   GLN 100          2HG       GLN 100 -14.837  -5.614   7.781
  772   2HG   GLN 100          1HG       GLN 100 -14.232  -7.139   8.441
  773   1HE2  GLN 100          2HE2      GLN 100 -11.681  -6.754   9.204
  774   2HE2  GLN 100          1HE2      GLN 100 -11.591  -5.474  10.392
  775    H    THR 101           H        THR 101 -10.496  -5.174   6.305
  776    HA   THR 101           HA       THR 101 -10.146  -3.161   8.287
  777    HB   THR 101           HB       THR 101  -8.089  -4.291   6.346
  778    HG1  THR 101           HG1      THR 101  -9.053  -5.942   7.453
  779   1HG2  THR 101          1HG2      THR 101  -6.548  -3.838   8.285
  780   2HG2  THR 101          2HG2      THR 101  -7.218  -2.370   7.542
  781   3HG2  THR 101          3HG2      THR 101  -7.867  -2.969   9.090
  782    H    VAL 102           H        VAL 102  -9.747  -2.967   4.688
  783    HA   VAL 102           HA       VAL 102  -8.792  -0.298   4.557
  784    HB   VAL 102           HB       VAL 102 -10.434  -2.059   2.703
  785   1HG1  VAL 102          1HG1      VAL 102  -7.735  -0.729   2.361
  786   2HG1  VAL 102          2HG1      VAL 102  -7.970  -2.396   2.941
  787   3HG1  VAL 102          3HG1      VAL 102  -8.483  -1.946   1.299
  788   1HG2  VAL 102          1HG2      VAL 102  -9.756   0.858   2.224
  789   2HG2  VAL 102          2HG2      VAL 102 -11.358   0.102   2.138
  790   3HG2  VAL 102          3HG2      VAL 102 -10.150  -0.295   0.927
  791    H    GLU 103           HN       GLU 103 -12.118  -1.539   4.367
  792    HA   GLU 103           HA       GLU 103 -13.310   1.037   4.222
  793   1HB   GLU 103          2HB       GLU 103 -14.481  -1.659   5.069
  794   2HB   GLU 103          1HB       GLU 103 -15.376  -0.186   4.673
  795   1HG   GLU 103          2HG       GLU 103 -14.012  -0.226   2.400
  796   2HG   GLU 103          1HG       GLU 103 -13.588  -1.854   2.830
  797    H    LYS 104           HN       LYS 104 -12.807  -1.119   6.984
  798    HA   LYS 104           HA       LYS 104 -13.905   0.424   9.060
  799   1HB   LYS 104          2HB       LYS 104 -12.967  -1.757   9.511
  800   2HB   LYS 104          1HB       LYS 104 -11.384  -1.257   8.919
  801   1HG   LYS 104          2HG       LYS 104 -11.334   0.442  10.901
  802   2HG   LYS 104          1HG       LYS 104 -12.678  -0.491  11.542
  803   1HD   LYS 104          1HD       LYS 104  -9.867  -1.434  10.766
  804   2HD   LYS 104          2HD       LYS 104 -10.454  -1.190  12.411
  805   1HE   LYS 104          1HE       LYS 104 -11.365  -3.307  10.408
  806   2HE   LYS 104          2HE       LYS 104 -10.430  -3.580  11.887
  807   1HZ   LYS 104          1HZ       LYS 104 -12.728  -4.117  12.183
  808   2HZ   LYS 104          2HZ       LYS 104 -13.197  -2.609  11.741
  809   3HZ   LYS 104          3HZ       LYS 104 -12.343  -2.826  13.138
  810    H    TYR 105           H        TYR 105 -10.545   0.606   7.725
  811    HA   TYR 105           HA       TYR 105  -9.786   2.800   9.400
  812   1HB   TYR 105          1HB       TYR 105  -8.632   1.975   6.704
  813   2HB   TYR 105          2HB       TYR 105  -7.892   2.986   7.955
  814    HD1  TYR 105           HD1      TYR 105  -6.483   0.745   6.700
  815    HD2  TYR 105           HD2      TYR 105  -8.910   0.920  10.264
  816    HE1  TYR 105           HE1      TYR 105  -4.853  -0.679   7.890
  817    HE2  TYR 105           HE2      TYR 105  -7.352  -0.624  11.393
  818    HH   TYR 105           HH       TYR 105  -4.256  -1.632   9.953
  819    H    LEU 106           H        LEU 106 -11.042   2.713   6.049
  820    HA   LEU 106           HA       LEU 106 -11.390   5.698   6.150
  821   1HB   LEU 106          2HB       LEU 106 -10.712   3.848   3.826
  822   2HB   LEU 106          1HB       LEU 106 -11.183   5.546   3.653
  823    HG   LEU 106           HG       LEU 106  -8.703   4.502   5.099
  824   1HD1  LEU 106          1HD2      LEU 106  -9.602   7.358   4.485
  825   2HD1  LEU 106          2HD2      LEU 106  -7.989   6.890   5.066
  826   3HD1  LEU 106          3HD2      LEU 106  -9.391   6.643   6.101
  827   1HD2  LEU 106          1HD1      LEU 106  -8.582   4.174   2.686
  828   2HD2  LEU 106          2HD1      LEU 106  -9.162   5.823   2.390
  829   3HD2  LEU 106          3HD1      LEU 106  -7.567   5.567   3.114
  830    H    ASN 107           H        ASN 107 -12.635   3.633   3.583
  831    HA   ASN 107           HA       ASN 107 -15.212   3.118   4.497
  832   1HB   ASN 107          1HB       ASN 107 -15.261   5.718   4.179
  833   2HB   ASN 107          2HB       ASN 107 -15.023   5.390   2.463
  834   1HD2  ASN 107          1HD2      ASN 107 -16.755   3.040   2.253
  835   2HD2  ASN 107          2HD2      ASN 107 -18.404   3.623   2.519
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -0.522  -1.879 -10.877
    2   2H    MET   1          2H        MET   1   0.456  -3.017 -11.615
    3   3H    MET   1          3H        MET   1  -0.918  -3.463 -10.786
    4    HA   MET   1           HA       MET   1  -0.986  -1.837 -13.208
    5   1HB   MET   1          1HB       MET   1  -0.251  -4.163 -13.676
    6   2HB   MET   1          2HB       MET   1  -1.647  -4.795 -12.786
    7   1HG   MET   1          1HG       MET   1  -3.173  -3.761 -14.427
    8   2HG   MET   1          2HG       MET   1  -1.790  -3.056 -15.286
    9   1HE   MET   1          1HE       MET   1  -3.198  -5.754 -17.746
   10   2HE   MET   1          2HE       MET   1  -4.156  -4.790 -16.599
   11   3HE   MET   1          3HE       MET   1  -2.823  -4.032 -17.509
   12    H    GLU   2           HN       GLU   2  -2.987  -0.748 -13.282
   13    HA   GLU   2           HA       GLU   2  -5.018   0.016 -12.585
   14   1HB   GLU   2          2HB       GLU   2  -5.458  -2.470 -10.869
   15   2HB   GLU   2          1HB       GLU   2  -6.628  -1.266 -11.361
   16   1HG   GLU   2          1HG       GLU   2  -6.571  -2.030 -13.656
   17   2HG   GLU   2          2HG       GLU   2  -5.202  -3.105 -13.327
   18    H    ALA   3           H        ALA   3  -3.707  -1.896  -9.895
   19    HA   ALA   3           HA       ALA   3  -3.572   0.294  -8.044
   20   1HB   ALA   3          1HB       ALA   3  -2.194  -1.279  -6.698
   21   2HB   ALA   3          2HB       ALA   3  -2.086  -2.378  -8.089
   22   3HB   ALA   3          3HB       ALA   3  -3.650  -2.085  -7.302
   23    H    GLY   4           H        GLY   4  -1.792   1.578  -7.600
   24   1HA   GLY   4          2HA       GLY   4   0.080   2.281  -9.607
   25   2HA   GLY   4          1HA       GLY   4   0.111   2.791  -7.957
   26    H    ALA   5           H        ALA   5   2.368   2.237  -9.547
   27    HA   ALA   5           HA       ALA   5   3.691   0.178  -7.855
   28   1HB   ALA   5          1HB       ALA   5   3.626  -0.708 -10.138
   29   2HB   ALA   5          2HB       ALA   5   4.281   0.826 -10.772
   30   3HB   ALA   5          3HB       ALA   5   5.269  -0.190  -9.696
   31    H    VAL   6           H        VAL   6   4.924   1.365  -6.515
   32    HA   VAL   6           HA       VAL   6   5.966   4.015  -7.425
   33    HB   VAL   6           HB       VAL   6   5.680   4.663  -4.917
   34   1HG1  VAL   6          1HG1      VAL   6   4.871   2.431  -4.163
   35   2HG1  VAL   6          2HG1      VAL   6   3.399   2.662  -5.119
   36   3HG1  VAL   6          3HG1      VAL   6   3.776   3.754  -3.765
   37   1HG2  VAL   6          1HG2      VAL   6   3.318   4.568  -6.808
   38   2HG2  VAL   6          2HG2      VAL   6   3.453   5.567  -5.341
   39   3HG2  VAL   6          3HG2      VAL   6   4.565   5.838  -6.696
   40    H    ASN   7           H        ASN   7   7.647   4.812  -6.099
   41    HA   ASN   7           HA       ASN   7   9.418   2.852  -4.844
   42   1HB   ASN   7          2HB       ASN   7  10.108   4.580  -7.285
   43   2HB   ASN   7          1HB       ASN   7  11.335   3.811  -6.287
   44   1HD2  ASN   7          1HD2      ASN   7  11.000   1.384  -5.909
   45   2HD2  ASN   7          2HD2      ASN   7  10.552   0.463  -7.340
   46    H    ASP   8           HN       ASP   8  11.302   4.161  -3.988
   47    HA   ASP   8           HA       ASP   8  10.669   5.915  -2.108
   48   1HB   ASP   8          1HB       ASP   8  13.047   4.985  -3.077
   49   2HB   ASP   8          2HB       ASP   8  13.209   6.660  -3.576
   50    H    ASP   9           HN       ASP   9  11.718   7.186  -5.263
   51    HA   ASP   9           HA       ASP   9  11.140   9.900  -4.686
   52   1HB   ASP   9          2HB       ASP   9  11.296   8.504  -7.403
   53   2HB   ASP   9          1HB       ASP   9  11.490  10.228  -7.075
   54    H    THR  10           H        THR  10   9.304   7.570  -6.778
   55    HA   THR  10           HA       THR  10   7.257   9.414  -7.456
   56    HB   THR  10           HB       THR  10   6.077   7.259  -8.161
   57    HG1  THR  10           HG1      THR  10   7.594   5.454  -8.143
   58   1HG2  THR  10          1HG2      THR  10   7.688   6.806  -9.975
   59   2HG2  THR  10          2HG2      THR  10   7.566   8.550  -9.685
   60   3HG2  THR  10          3HG2      THR  10   8.971   7.644  -9.084
   61    H    PHE  11           H        PHE  11   7.576   7.174  -4.760
   62    HA   PHE  11           HA       PHE  11   5.071   7.007  -3.625
   63   1HB   PHE  11          1HB       PHE  11   7.122   6.007  -2.738
   64   2HB   PHE  11          2HB       PHE  11   7.769   7.565  -2.341
   65    HD1  PHE  11           HD1      PHE  11   7.047   8.825  -0.383
   66    HD2  PHE  11           HD2      PHE  11   5.373   4.954  -1.301
   67    HE1  PHE  11           HE1      PHE  11   6.116   8.686   1.900
   68    HE2  PHE  11           HE2      PHE  11   4.475   4.810   1.011
   69    HZ   PHE  11           HZ       PHE  11   4.891   6.652   2.622
   70    H    LYS  12           HN       LYS  12   7.421   9.613  -3.265
   71    HA   LYS  12           HA       LYS  12   5.900  11.293  -1.553
   72   1HB   LYS  12          2HB       LYS  12   7.815  12.221  -3.737
   73   2HB   LYS  12          1HB       LYS  12   7.264  13.144  -2.338
   74   1HG   LYS  12          2HG       LYS  12   8.225  11.022  -0.978
   75   2HG   LYS  12          1HG       LYS  12   9.133  10.762  -2.471
   76   1HD   LYS  12          1HD       LYS  12  10.577  12.015  -1.116
   77   2HD   LYS  12          2HD       LYS  12   9.914  13.210  -2.244
   78   1HE   LYS  12          2HE       LYS  12   8.260  13.902  -0.460
   79   2HE   LYS  12          1HE       LYS  12   8.949  12.686   0.625
   80   1HZ   LYS  12          1HZ       LYS  12  10.391  14.978  -0.507
   81   2HZ   LYS  12          2HZ       LYS  12  11.028  13.849   0.511
   82   3HZ   LYS  12          3HZ       LYS  12   9.829  14.850   1.036
   83    H    ASN  13           H        ASN  13   6.027  11.379  -5.128
   84    HA   ASN  13           HA       ASN  13   4.014  13.422  -5.473
   85   1HB   ASN  13          2HB       ASN  13   5.364  11.338  -7.185
   86   2HB   ASN  13          1HB       ASN  13   3.824  11.952  -7.750
   87   1HD2  ASN  13          2HD2      ASN  13   5.885  14.213  -5.858
   88   2HD2  ASN  13          1HD2      ASN  13   6.429  15.085  -7.275
   89    H    VAL  14           H        VAL  14   3.800   9.910  -5.686
   90    HA   VAL  14           HA       VAL  14   1.004   9.923  -6.380
   91    HB   VAL  14           HB       VAL  14   3.031   7.780  -5.645
   92   1HG1  VAL  14          1HG1      VAL  14   3.536   9.043  -7.745
   93   2HG1  VAL  14          2HG1      VAL  14   3.065   7.379  -8.098
   94   3HG1  VAL  14          3HG1      VAL  14   1.901   8.695  -8.333
   95   1HG2  VAL  14          1HG2      VAL  14   0.243   7.467  -6.800
   96   2HG2  VAL  14          2HG2      VAL  14   0.858   6.796  -5.261
   97   3HG2  VAL  14          3HG2      VAL  14   1.486   6.197  -6.806
   98    H    VAL  15           H        VAL  15   2.735   9.301  -3.321
   99    HA   VAL  15           HA       VAL  15   0.195   8.517  -2.003
  100    HB   VAL  15           HB       VAL  15   3.027   8.360  -0.899
  101   1HG1  VAL  15          1HG1      VAL  15   1.208   8.353   0.775
  102   2HG1  VAL  15          2HG1      VAL  15   0.470   6.967  -0.052
  103   3HG1  VAL  15          3HG1      VAL  15   2.081   6.824   0.687
  104   1HG2  VAL  15          1HG2      VAL  15   2.938   5.970  -1.488
  105   2HG2  VAL  15          2HG2      VAL  15   1.409   6.227  -2.353
  106   3HG2  VAL  15          3HG2      VAL  15   2.904   6.970  -2.935
  107    H    LEU  16           H        LEU  16   3.063  10.534  -1.141
  108    HA   LEU  16           HA       LEU  16   1.693  11.836   1.016
  109   1HB   LEU  16          2HB       LEU  16   4.159  12.663  -0.579
  110   2HB   LEU  16          1HB       LEU  16   3.559  13.521   0.796
  111    HG   LEU  16           HG       LEU  16   4.564  10.624   0.716
  112   1HD1  LEU  16          1HD2      LEU  16   5.782  13.116   1.985
  113   2HD1  LEU  16          2HD2      LEU  16   6.483  11.484   1.982
  114   3HD1  LEU  16          3HD2      LEU  16   6.319  12.382   0.464
  115   1HD2  LEU  16          1HD1      LEU  16   3.594  12.294   3.078
  116   2HD2  LEU  16          2HD1      LEU  16   2.925  10.742   2.511
  117   3HD2  LEU  16          3HD1      LEU  16   4.535  10.796   3.232
  118    H    GLU  17           HN       GLU  17   2.681  13.198  -2.108
  119    HA   GLU  17           HA       GLU  17   0.948  15.515  -1.809
  120   1HB   GLU  17          1HB       GLU  17   2.418  14.469  -4.247
  121   2HB   GLU  17          2HB       GLU  17   1.788  16.101  -4.046
  122   1HG   GLU  17          1HG       GLU  17   3.391  16.599  -2.300
  123   2HG   GLU  17          2HG       GLU  17   3.951  14.927  -2.220
  124    H    SER  18           H        SER  18  -0.682  13.235  -1.563
  125    HA   SER  18           HA       SER  18  -2.171  12.939  -4.132
  126   1HB   SER  18          2HB       SER  18  -1.641  10.891  -2.813
  127   2HB   SER  18          1HB       SER  18  -2.574  11.541  -1.451
  128    HG   SER  18           HG       SER  18  -4.135  10.455  -2.493
  129    H    SER  19           H        SER  19  -4.624  12.581  -3.185
  130    HA   SER  19           HA       SER  19  -5.577  15.034  -1.772
  131   1HB   SER  19          1HB       SER  19  -7.459  15.050  -3.511
  132   2HB   SER  19          2HB       SER  19  -5.880  15.621  -4.081
  133    HG   SER  19           HG       SER  19  -5.532  13.671  -5.086
  134    H    VAL  20           H        VAL  20  -6.860  12.234  -3.506
  135    HA   VAL  20           HA       VAL  20  -8.627  11.468  -1.335
  136    HB   VAL  20           HB       VAL  20  -8.618   9.237  -2.864
  137   1HG1  VAL  20          1HG1      VAL  20  -7.938  11.367  -4.929
  138   2HG1  VAL  20          2HG1      VAL  20  -8.277   9.660  -5.199
  139   3HG1  VAL  20          3HG1      VAL  20  -6.791  10.122  -4.363
  140   1HG2  VAL  20          1HG2      VAL  20 -10.107  11.792  -3.454
  141   2HG2  VAL  20          2HG2      VAL  20 -10.495  10.215  -4.161
  142   3HG2  VAL  20          3HG2      VAL  20 -10.598  10.428  -2.412
  143    HA   PRO  21           HA       PRO  21  -5.966   8.843   0.965
  144   1HB   PRO  21          1HB       PRO  21  -8.037   6.660   0.729
  145   2HB   PRO  21          2HB       PRO  21  -7.198   7.216   2.195
  146   1HG   PRO  21          1HG       PRO  21  -9.719   7.978   1.636
  147   2HG   PRO  21          2HG       PRO  21  -8.576   9.166   2.323
  148   1HD   PRO  21          1HD       PRO  21  -9.556   8.975  -0.514
  149   2HD   PRO  21          2HD       PRO  21  -9.093  10.384   0.454
  150    H    VAL  22           H        VAL  22  -4.770   6.844   0.986
  151    HA   VAL  22           HA       VAL  22  -4.445   5.532  -1.636
  152    HB   VAL  22           HB       VAL  22  -2.163   6.763  -0.056
  153   1HG1  VAL  22          1HG2      VAL  22  -0.883   6.408  -2.028
  154   2HG1  VAL  22          2HG2      VAL  22  -2.294   5.893  -2.943
  155   3HG1  VAL  22          3HG2      VAL  22  -1.689   4.878  -1.623
  156   1HG2  VAL  22          1HG1      VAL  22  -2.061   8.530  -1.846
  157   2HG2  VAL  22          2HG1      VAL  22  -3.428   8.700  -0.751
  158   3HG2  VAL  22          3HG1      VAL  22  -3.671   8.028  -2.379
  159    H    LEU  23           H        LEU  23  -3.685   3.464  -1.471
  160    HA   LEU  23           HA       LEU  23  -3.079   2.350   1.256
  161   1HB   LEU  23          2HB       LEU  23  -5.208   1.539   0.386
  162   2HB   LEU  23          1HB       LEU  23  -4.465   0.937  -1.074
  163    HG   LEU  23           HG       LEU  23  -3.555   0.019   1.671
  164   1HD1  LEU  23          1HD2      LEU  23  -2.042  -0.736  -0.131
  165   2HD1  LEU  23          2HD2      LEU  23  -3.425  -1.220  -1.132
  166   3HD1  LEU  23          3HD2      LEU  23  -3.025  -2.108   0.344
  167   1HD2  LEU  23          1HD1      LEU  23  -5.957  -0.381   1.581
  168   2HD2  LEU  23          2HD1      LEU  23  -5.089  -1.911   1.449
  169   3HD2  LEU  23          3HD1      LEU  23  -5.788  -1.181  -0.006
  170    H    VAL  24           H        VAL  24  -0.905   1.878   1.314
  171    HA   VAL  24           HA       VAL  24   0.498   1.350  -1.299
  172    HB   VAL  24           HB       VAL  24   1.582   2.522   1.276
  173   1HG1  VAL  24          1HG1      VAL  24   2.872   2.073  -1.449
  174   2HG1  VAL  24          2HG1      VAL  24   3.610   2.961  -0.106
  175   3HG1  VAL  24          3HG1      VAL  24   3.292   1.233   0.056
  176   1HG2  VAL  24          1HG2      VAL  24   0.095   4.135   0.033
  177   2HG2  VAL  24          2HG2      VAL  24   1.097   3.900  -1.407
  178   3HG2  VAL  24          3HG2      VAL  24   1.796   4.614   0.046
  179    H    ASP  25           HN       ASP  25   0.952  -0.761  -1.562
  180    HA   ASP  25           HA       ASP  25   1.288  -2.467   0.872
  181   1HB   ASP  25          2HB       ASP  25  -0.114  -3.422  -0.833
  182   2HB   ASP  25          1HB       ASP  25   1.113  -3.119  -2.060
  183    H    PHE  26           H        PHE  26   3.329  -2.429   1.779
  184    HA   PHE  26           HA       PHE  26   5.642  -1.726   0.085
  185   1HB   PHE  26          2HB       PHE  26   5.331  -2.469   3.008
  186   2HB   PHE  26          1HB       PHE  26   6.880  -2.311   2.213
  187    HD1  PHE  26           HD1      PHE  26   3.684  -0.307   2.665
  188    HD2  PHE  26           HD2      PHE  26   7.966  -0.263   2.135
  189    HE1  PHE  26           HE1      PHE  26   3.691   2.159   2.842
  190    HE2  PHE  26           HE2      PHE  26   7.975   2.186   2.416
  191    HZ   PHE  26           HZ       PHE  26   5.840   3.416   2.778
  192    H    TRP  27           H        TRP  27   6.426  -3.242  -1.254
  193    HA   TRP  27           HA       TRP  27   6.277  -6.141  -0.481
  194   1HB   TRP  27          1HB       TRP  27   5.706  -6.729  -2.675
  195   2HB   TRP  27          2HB       TRP  27   4.590  -5.462  -2.226
  196    HD1  TRP  27           HD1      TRP  27   5.392  -2.969  -3.264
  197    HE1  TRP  27           HE1      TRP  27   6.640  -2.352  -5.458
  198    HE3  TRP  27           HE3      TRP  27   6.987  -7.639  -4.640
  199    HZ2  TRP  27           HZ2      TRP  27   8.339  -3.715  -7.358
  200    HZ3  TRP  27           HZ3      TRP  27   8.260  -7.943  -6.726
  201    HH2  TRP  27           HH2      TRP  27   8.941  -5.997  -8.089
  202    H    ALA  28           H        ALA  28   7.683  -7.276  -2.365
  203    HA   ALA  28           HA       ALA  28   9.882  -5.881  -3.450
  204   1HB   ALA  28          1HB       ALA  28  11.740  -6.975  -2.235
  205   2HB   ALA  28          2HB       ALA  28  10.808  -5.964  -1.120
  206   3HB   ALA  28          3HB       ALA  28  10.587  -7.734  -1.128
  207    HA   PRO  29           HA       PRO  29   9.484  -9.584  -5.924
  208   1HB   PRO  29          1HB       PRO  29  12.123 -10.097  -6.677
  209   2HB   PRO  29          2HB       PRO  29  10.984  -8.943  -7.451
  210   1HG   PRO  29          2HG       PRO  29  13.083  -8.342  -5.346
  211   2HG   PRO  29          1HG       PRO  29  12.772  -7.447  -6.867
  212   1HD   PRO  29          2HD       PRO  29  11.706  -6.470  -4.611
  213   2HD   PRO  29          1HD       PRO  29  10.664  -6.653  -6.011
  214    H    TRP  30           H        TRP  30  11.919  -9.715  -3.286
  215    HA   TRP  30           HA       TRP  30  11.850 -12.651  -3.260
  216   1HB   TRP  30          2HB       TRP  30  13.144 -12.351  -1.158
  217   2HB   TRP  30          1HB       TRP  30  13.860 -11.640  -2.595
  218    HD1  TRP  30           HD1      TRP  30  14.545  -9.203  -2.504
  219    HE1  TRP  30           HE1      TRP  30  14.420  -7.302  -0.789
  220    HE3  TRP  30           HE3      TRP  30  11.417 -11.400   0.922
  221    HZ2  TRP  30           HZ2      TRP  30  13.091  -6.778   1.707
  222    HZ3  TRP  30           HZ3      TRP  30  10.722 -10.156   2.938
  223    HH2  TRP  30           HH2      TRP  30  11.501  -7.833   3.316
  224    H    CYS  31           H        CYS  31   9.531 -10.355  -2.344
  225    HA   CYS  31           HA       CYS  31   8.764 -11.623   0.204
  226   1HB   CYS  31          1HB       CYS  31   8.510  -9.207  -0.087
  227   2HB   CYS  31          2HB       CYS  31   7.459  -9.478  -1.460
  228    H    GLY  32           H        GLY  32   8.421 -13.780  -0.559
  229   1HA   GLY  32          1HA       GLY  32   6.868 -14.897  -2.446
  230   2HA   GLY  32          2HA       GLY  32   6.813 -15.478  -0.781
  231    HA   PRO  33           HA       PRO  33   2.572 -14.324  -0.206
  232   1HB   PRO  33          2HB       PRO  33   3.390 -11.912   1.421
  233   2HB   PRO  33          1HB       PRO  33   2.076 -13.074   1.768
  234   1HG   PRO  33          2HG       PRO  33   4.456 -13.282   3.051
  235   2HG   PRO  33          1HG       PRO  33   3.637 -14.729   2.403
  236   1HD   PRO  33          1HD       PRO  33   5.958 -13.157   1.223
  237   2HD   PRO  33          2HD       PRO  33   5.736 -14.929   1.282
  238    H    CYS  34           H        CYS  34   4.604 -11.449  -0.678
  239    HA   CYS  34           HA       CYS  34   2.646  -9.609  -1.577
  240   1HB   CYS  34          2HB       CYS  34   5.515  -9.635  -2.449
  241   2HB   CYS  34          1HB       CYS  34   4.314  -8.367  -2.565
  242    H    ARG  35           HN       ARG  35   4.712 -11.998  -3.362
  243    HA   ARG  35           HA       ARG  35   4.046 -11.268  -5.995
  244   1HB   ARG  35          2HB       ARG  35   4.529 -14.069  -4.883
  245   2HB   ARG  35          1HB       ARG  35   4.604 -13.580  -6.568
  246   1HG   ARG  35          1HG       ARG  35   6.539 -12.139  -6.127
  247   2HG   ARG  35          2HG       ARG  35   6.473 -12.547  -4.401
  248   1HD   ARG  35          2HD       ARG  35   6.748 -14.952  -4.954
  249   2HD   ARG  35          1HD       ARG  35   6.901 -14.526  -6.677
  250    HE   ARG  35           HE       ARG  35   8.786 -12.976  -5.277
  251   1HH1  ARG  35          2HH2      ARG  35   8.210 -16.407  -5.907
  252   2HH1  ARG  35          1HH2      ARG  35   9.897 -16.841  -5.802
  253   1HH2  ARG  35          2HH1      ARG  35  10.885 -13.476  -5.174
  254   2HH2  ARG  35          1HH1      ARG  35  11.502 -15.113  -5.363
  255    H    ILE  36           H        ILE  36   2.428 -13.625  -3.823
  256    HA   ILE  36           HA       ILE  36   0.380 -14.164  -5.884
  257    HB   ILE  36           HB       ILE  36  -0.467 -15.849  -4.292
  258   1HG1  ILE  36          2HG1      ILE  36   1.253 -16.562  -2.492
  259   2HG1  ILE  36          1HG1      ILE  36   1.813 -14.902  -2.486
  260   1HG2  ILE  36          1HG2      ILE  36   1.239 -16.298  -6.051
  261   2HG2  ILE  36          2HG2      ILE  36   2.525 -16.013  -4.859
  262   3HG2  ILE  36          3HG2      ILE  36   1.399 -17.368  -4.656
  263   1HD1  ILE  36          1HD1      ILE  36  -0.656 -14.275  -1.993
  264   2HD1  ILE  36          2HD1      ILE  36  -0.977 -16.006  -1.870
  265   3HD1  ILE  36          3HD1      ILE  36   0.142 -15.232  -0.731
  266    H    ILE  37           H        ILE  37   0.686 -12.039  -3.139
  267    HA   ILE  37           HA       ILE  37  -2.179 -11.504  -2.942
  268    HB   ILE  37           HB       ILE  37   0.365 -10.275  -1.830
  269   1HG1  ILE  37          2HG1      ILE  37  -2.095 -11.460  -0.454
  270   2HG1  ILE  37          1HG1      ILE  37  -0.671 -12.401  -0.897
  271   1HG2  ILE  37          1HG2      ILE  37  -2.434  -9.124  -1.695
  272   2HG2  ILE  37          2HG2      ILE  37  -0.877  -8.340  -2.108
  273   3HG2  ILE  37          3HG2      ILE  37  -1.213  -8.779  -0.454
  274   1HD1  ILE  37          1HD1      ILE  37  -0.757 -10.173   1.154
  275   2HD1  ILE  37          2HD1      ILE  37  -0.425 -11.891   1.385
  276   3HD1  ILE  37          3HD1      ILE  37   0.745 -10.880   0.515
  277    H    ALA  38           H        ALA  38   0.588 -10.077  -4.643
  278    HA   ALA  38           HA       ALA  38  -0.173  -7.681  -5.500
  279   1HB   ALA  38          1HB       ALA  38   1.166  -8.069  -7.556
  280   2HB   ALA  38          2HB       ALA  38   1.201  -9.797  -7.212
  281   3HB   ALA  38          3HB       ALA  38   1.960  -8.653  -6.090
  282    HA   PRO  39           HA       PRO  39  -2.724  -9.084  -9.350
  283   1HB   PRO  39          2HB       PRO  39  -4.006 -11.622  -8.426
  284   2HB   PRO  39          1HB       PRO  39  -3.348 -11.224 -10.035
  285   1HG   PRO  39          2HG       PRO  39  -2.024 -12.934  -8.366
  286   2HG   PRO  39          1HG       PRO  39  -1.118 -11.716  -9.318
  287   1HD   PRO  39          1HD       PRO  39  -2.105 -11.459  -6.459
  288   2HD   PRO  39          2HD       PRO  39  -0.438 -11.252  -7.062
  289    H    VAL  40           H        VAL  40  -3.615 -10.046  -6.064
  290    HA   VAL  40           HA       VAL  40  -6.398  -9.294  -6.294
  291    HB   VAL  40           HB       VAL  40  -4.898  -9.625  -3.683
  292   1HG1  VAL  40          1HG1      VAL  40  -7.678 -10.441  -4.639
  293   2HG1  VAL  40          2HG1      VAL  40  -7.070 -10.487  -2.971
  294   3HG1  VAL  40          3HG1      VAL  40  -7.330  -8.925  -3.789
  295   1HG2  VAL  40          1HG2      VAL  40  -5.465 -12.071  -3.805
  296   2HG2  VAL  40          2HG2      VAL  40  -5.841 -11.868  -5.527
  297   3HG2  VAL  40          3HG2      VAL  40  -4.187 -11.620  -4.927
  298    H    VAL  41           H        VAL  41  -3.347  -7.862  -5.037
  299    HA   VAL  41           HA       VAL  41  -4.445  -5.407  -4.088
  300    HB   VAL  41           HB       VAL  41  -1.740  -5.727  -5.473
  301   1HG1  VAL  41          1HG1      VAL  41  -0.781  -6.140  -3.290
  302   2HG1  VAL  41          2HG1      VAL  41  -2.367  -5.982  -2.507
  303   3HG1  VAL  41          3HG1      VAL  41  -2.038  -7.340  -3.597
  304   1HG2  VAL  41          1HG2      VAL  41  -1.102  -3.851  -3.953
  305   2HG2  VAL  41          2HG2      VAL  41  -2.332  -3.375  -5.128
  306   3HG2  VAL  41          3HG2      VAL  41  -2.781  -3.722  -3.435
  307    H    ASP  42           HN       ASP  42  -3.324  -6.377  -7.341
  308    HA   ASP  42           HA       ASP  42  -3.785  -3.944  -8.706
  309   1HB   ASP  42          1HB       ASP  42  -3.960  -6.810  -9.733
  310   2HB   ASP  42          2HB       ASP  42  -4.005  -5.388 -10.747
  311    H    GLU  43           HN       GLU  43  -6.049  -6.812  -8.678
  312    HA   GLU  43           HA       GLU  43  -8.113  -5.354  -9.948
  313   1HB   GLU  43          1HB       GLU  43  -9.452  -7.209  -9.599
  314   2HB   GLU  43          2HB       GLU  43  -7.825  -7.883  -9.618
  315   1HG   GLU  43          2HG       GLU  43  -7.953  -7.716  -7.017
  316   2HG   GLU  43          1HG       GLU  43  -9.675  -7.418  -7.238
  317    H    ILE  44           H        ILE  44  -7.379  -5.685  -6.479
  318    HA   ILE  44           HA       ILE  44  -9.686  -4.559  -5.374
  319    HB   ILE  44           HB       ILE  44  -6.773  -4.677  -4.587
  320   1HG1  ILE  44          2HG1      ILE  44  -8.516  -6.605  -4.443
  321   2HG1  ILE  44          1HG1      ILE  44  -7.485  -6.279  -3.049
  322   1HG2  ILE  44          1HG2      ILE  44  -7.312  -2.559  -3.657
  323   2HG2  ILE  44          2HG2      ILE  44  -8.857  -3.154  -3.017
  324   3HG2  ILE  44          3HG2      ILE  44  -7.321  -3.760  -2.362
  325   1HD1  ILE  44          1HD1      ILE  44 -10.346  -5.268  -3.318
  326   2HD1  ILE  44          2HD1      ILE  44  -9.298  -5.166  -1.887
  327   3HD1  ILE  44          3HD1      ILE  44  -9.858  -6.742  -2.463
  328    H    ALA  45           H        ALA  45  -6.976  -2.918  -7.034
  329    HA   ALA  45           HA       ALA  45  -7.605  -0.261  -6.229
  330   1HB   ALA  45          1HB       ALA  45  -6.566  -1.161  -8.947
  331   2HB   ALA  45          2HB       ALA  45  -6.329   0.415  -8.170
  332   3HB   ALA  45          3HB       ALA  45  -5.561  -1.038  -7.494
  333    H    GLY  46           H        GLY  46  -8.998  -2.380  -8.741
  334   1HA   GLY  46          1HA       GLY  46 -10.589  -0.297 -10.018
  335   2HA   GLY  46          2HA       GLY  46 -10.747  -2.055 -10.206
  336    H    GLU  47           HN       GLU  47 -11.137  -2.988  -7.723
  337    HA   GLU  47           HA       GLU  47 -13.885  -2.616  -7.281
  338   1HB   GLU  47          2HB       GLU  47 -11.740  -3.638  -5.375
  339   2HB   GLU  47          1HB       GLU  47 -13.476  -3.766  -5.104
  340   1HG   GLU  47          1HG       GLU  47 -13.722  -5.064  -7.220
  341   2HG   GLU  47          2HG       GLU  47 -11.975  -4.993  -7.473
  342    H    TYR  48           H        TYR  48 -11.200  -1.078  -5.521
  343    HA   TYR  48           HA       TYR  48 -13.192   0.791  -4.218
  344   1HB   TYR  48          1HB       TYR  48 -10.474  -0.157  -3.246
  345   2HB   TYR  48          2HB       TYR  48 -11.532   0.983  -2.413
  346    HD1  TYR  48           HD1      TYR  48 -13.773   0.273  -1.549
  347    HD2  TYR  48           HD2      TYR  48 -10.996  -2.558  -3.226
  348    HE1  TYR  48           HE1      TYR  48 -15.253  -1.594  -0.868
  349    HE2  TYR  48           HE2      TYR  48 -12.446  -4.423  -2.489
  350    HH   TYR  48           HH       TYR  48 -14.482  -5.005  -1.605
  351    H    LYS  49           HN       LYS  49 -12.247   1.229  -6.841
  352    HA   LYS  49           HA       LYS  49 -10.168   3.076  -7.060
  353   1HB   LYS  49          1HB       LYS  49 -11.316   3.781  -9.140
  354   2HB   LYS  49          2HB       LYS  49 -11.272   2.025  -8.970
  355   1HG   LYS  49          2HG       LYS  49 -13.639   2.061  -8.134
  356   2HG   LYS  49          1HG       LYS  49 -13.668   3.818  -8.365
  357   1HD   LYS  49          1HD       LYS  49 -13.290   3.522 -10.787
  358   2HD   LYS  49          2HD       LYS  49 -13.077   1.776 -10.557
  359   1HE   LYS  49          1HE       LYS  49 -15.324   2.260 -11.419
  360   2HE   LYS  49          2HE       LYS  49 -15.400   1.532  -9.807
  361   1HZ   LYS  49          1HZ       LYS  49 -15.750   3.706  -8.899
  362   2HZ   LYS  49          2HZ       LYS  49 -16.886   3.387 -10.046
  363   3HZ   LYS  49          3HZ       LYS  49 -15.635   4.404 -10.388
  364    H    ASP  50           HN       ASP  50 -10.277   5.346  -7.460
  365    HA   ASP  50           HA       ASP  50 -10.753   7.520  -7.131
  366   1HB   ASP  50          2HB       ASP  50 -13.117   7.034  -7.720
  367   2HB   ASP  50          1HB       ASP  50 -13.494   6.673  -6.043
  368    H    LYS  51           HN       LYS  51 -12.236   5.713  -4.491
  369    HA   LYS  51           HA       LYS  51 -11.481   7.801  -2.566
  370   1HB   LYS  51          1HB       LYS  51 -12.387   5.006  -1.861
  371   2HB   LYS  51          2HB       LYS  51 -12.518   6.481  -0.892
  372   1HG   LYS  51          2HG       LYS  51 -14.041   7.358  -2.815
  373   2HG   LYS  51          1HG       LYS  51 -14.110   5.677  -3.364
  374   1HD   LYS  51          2HD       LYS  51 -15.035   6.784  -0.674
  375   2HD   LYS  51          1HD       LYS  51 -16.031   6.176  -1.998
  376   1HE   LYS  51          1HE       LYS  51 -16.063   4.422  -0.453
  377   2HE   LYS  51          2HE       LYS  51 -14.857   3.884  -1.630
  378   1HZ   LYS  51          1HZ       LYS  51 -14.282   5.228   0.929
  379   2HZ   LYS  51          2HZ       LYS  51 -13.166   4.575  -0.088
  380   3HZ   LYS  51          3HZ       LYS  51 -14.223   3.605   0.716
  381    H    LEU  52           H        LEU  52 -10.194   4.670  -3.477
  382    HA   LEU  52           HA       LEU  52  -7.987   4.973  -1.456
  383   1HB   LEU  52          1HB       LEU  52  -9.809   3.218  -0.989
  384   2HB   LEU  52          2HB       LEU  52  -9.219   2.373  -2.421
  385    HG   LEU  52           HG       LEU  52  -6.869   2.528  -1.243
  386   1HD1  LEU  52          1HD1      LEU  52  -7.596   4.106   0.566
  387   2HD1  LEU  52          2HD1      LEU  52  -8.798   2.912   1.095
  388   3HD1  LEU  52          3HD1      LEU  52  -7.070   2.565   1.257
  389   1HD2  LEU  52          1HD2      LEU  52  -9.183   0.781  -0.257
  390   2HD2  LEU  52          2HD2      LEU  52  -7.476   0.443   0.059
  391   3HD2  LEU  52          3HD2      LEU  52  -8.081   0.426  -1.606
  392    H    LYS  53           HN       LYS  53  -6.248   5.683  -2.726
  393    HA   LYS  53           HA       LYS  53  -5.985   4.613  -5.449
  394   1HB   LYS  53          1HB       LYS  53  -5.538   6.994  -4.588
  395   2HB   LYS  53          2HB       LYS  53  -4.034   6.389  -3.960
  396   1HG   LYS  53          2HG       LYS  53  -4.981   6.237  -6.866
  397   2HG   LYS  53          1HG       LYS  53  -3.866   7.443  -6.210
  398   1HD   LYS  53          2HD       LYS  53  -2.246   5.688  -5.623
  399   2HD   LYS  53          1HD       LYS  53  -3.301   4.440  -6.318
  400   1HE   LYS  53          1HE       LYS  53  -2.157   6.792  -7.889
  401   2HE   LYS  53          2HE       LYS  53  -1.451   5.170  -7.847
  402   1HZ   LYS  53          1HZ       LYS  53  -3.485   4.309  -8.750
  403   2HZ   LYS  53          2HZ       LYS  53  -2.830   5.446  -9.745
  404   3HZ   LYS  53          3HZ       LYS  53  -4.140   5.821  -8.821
  405    H    CYS  54           H        CYS  54  -5.735   2.435  -5.121
  406    HA   CYS  54           HA       CYS  54  -3.977   1.300  -3.123
  407   1HB   CYS  54          1HB       CYS  54  -6.010   0.143  -3.943
  408   2HB   CYS  54          2HB       CYS  54  -5.306   0.113  -5.580
  409    HG   CYS  54           HG       CYS  54  -4.894  -2.209  -4.942
  410    H    VAL  55           H        VAL  55  -1.793   0.784  -3.298
  411    HA   VAL  55           HA       VAL  55  -0.615   0.451  -5.957
  412    HB   VAL  55           HB       VAL  55   1.028   2.137  -5.796
  413   1HG1  VAL  55          1HG2      VAL  55   0.192   2.689  -3.008
  414   2HG1  VAL  55          2HG2      VAL  55   1.741   1.947  -3.533
  415   3HG1  VAL  55          3HG2      VAL  55   1.388   3.628  -3.943
  416   1HG2  VAL  55          1HG1      VAL  55  -1.237   3.237  -6.296
  417   2HG2  VAL  55          2HG1      VAL  55  -0.063   4.310  -5.538
  418   3HG2  VAL  55          3HG1      VAL  55  -1.353   3.604  -4.562
  419    H    LYS  56           HN       LYS  56   1.805   0.050  -5.747
  420    HA   LYS  56           HA       LYS  56   2.507  -1.526  -3.320
  421   1HB   LYS  56          2HB       LYS  56   2.497  -2.134  -6.251
  422   2HB   LYS  56          1HB       LYS  56   3.800  -2.827  -5.284
  423   1HG   LYS  56          1HG       LYS  56   2.319  -3.944  -3.807
  424   2HG   LYS  56          2HG       LYS  56   0.904  -3.097  -4.458
  425   1HD   LYS  56          1HD       LYS  56   2.619  -5.059  -6.053
  426   2HD   LYS  56          2HD       LYS  56   1.164  -5.506  -5.147
  427   1HE   LYS  56          1HE       LYS  56  -0.149  -3.808  -6.499
  428   2HE   LYS  56          2HE       LYS  56   1.288  -3.566  -7.505
  429   1HZ   LYS  56          1HZ       LYS  56  -0.187  -5.122  -8.471
  430   2HZ   LYS  56          2HZ       LYS  56   1.200  -5.902  -8.043
  431   3HZ   LYS  56          3HZ       LYS  56  -0.176  -6.087  -7.146
  432    H    LEU  57           H        LEU  57   4.364  -0.869  -2.373
  433    HA   LEU  57           HA       LEU  57   6.292   0.869  -3.859
  434   1HB   LEU  57          1HB       LEU  57   5.240   1.947  -1.991
  435   2HB   LEU  57          2HB       LEU  57   5.703   0.619  -0.888
  436    HG   LEU  57           HG       LEU  57   6.881   2.678  -0.546
  437   1HD1  LEU  57          1HD1      LEU  57   8.192   2.145  -3.220
  438   2HD1  LEU  57          2HD1      LEU  57   8.603   3.453  -2.089
  439   3HD1  LEU  57          3HD1      LEU  57   7.026   3.449  -2.904
  440   1HD2  LEU  57          1HD2      LEU  57   7.819   0.255  -0.169
  441   2HD2  LEU  57          2HD2      LEU  57   8.871   1.667   0.020
  442   3HD2  LEU  57          3HD2      LEU  57   8.920   0.694  -1.465
  443    H    ASN  58           H        ASN  58   8.130  -0.050  -4.482
  444    HA   ASN  58           HA       ASN  58   8.870  -2.703  -3.467
  445   1HB   ASN  58          1HB       ASN  58   9.288  -2.053  -5.812
  446   2HB   ASN  58          2HB       ASN  58  10.479  -0.872  -5.254
  447   1HD2  ASN  58          2HD2      ASN  58  10.279  -3.941  -6.479
  448   2HD2  ASN  58          1HD2      ASN  58  11.758  -4.587  -5.791
  449    H    THR  59           H        THR  59   9.631  -2.911  -1.553
  450    HA   THR  59           HA       THR  59  10.636  -0.779   0.095
  451    HB   THR  59           HB       THR  59  10.795  -3.786   0.577
  452    HG1  THR  59           HG1      THR  59   8.699  -3.356   0.018
  453   1HG2  THR  59          1HG2      THR  59  11.894  -2.291   2.296
  454   2HG2  THR  59          2HG2      THR  59  10.320  -1.482   2.508
  455   3HG2  THR  59          3HG2      THR  59  10.503  -3.194   2.923
  456    H    ASP  60           HN       ASP  60  12.151  -3.196  -1.935
  457    HA   ASP  60           HA       ASP  60  14.763  -3.227  -0.680
  458   1HB   ASP  60          1HB       ASP  60  13.444  -4.987  -2.167
  459   2HB   ASP  60          2HB       ASP  60  14.119  -4.088  -3.523
  460    H    GLU  61           HN       GLU  61  13.158  -1.713  -3.384
  461    HA   GLU  61           HA       GLU  61  15.414  -0.179  -4.383
  462   1HB   GLU  61          1HB       GLU  61  13.210  -1.152  -5.513
  463   2HB   GLU  61          2HB       GLU  61  12.496   0.353  -4.969
  464   1HG   GLU  61          2HG       GLU  61  13.229   0.670  -7.255
  465   2HG   GLU  61          1HG       GLU  61  14.294   1.620  -6.213
  466    H    SER  62           H        SER  62  12.754   0.288  -2.184
  467    HA   SER  62           HA       SER  62  13.403   3.168  -1.788
  468   1HB   SER  62          1HB       SER  62  10.706   1.916  -1.189
  469   2HB   SER  62          2HB       SER  62  11.202   3.599  -1.430
  470    HG   SER  62           HG       SER  62  11.054   1.447  -3.272
  471    HA   PRO  63           HA       PRO  63  14.127   0.577   2.158
  472   1HB   PRO  63          1HB       PRO  63  16.785   1.016   2.491
  473   2HB   PRO  63          2HB       PRO  63  16.165  -0.241   1.377
  474   1HG   PRO  63          2HG       PRO  63  16.961   2.610   0.648
  475   2HG   PRO  63          1HG       PRO  63  17.540   1.118  -0.099
  476   1HD   PRO  63          1HD       PRO  63  15.495   2.398  -1.227
  477   2HD   PRO  63          2HD       PRO  63  15.370   0.625  -1.039
  478    H    ASN  64           H        ASN  64  15.140   3.674   0.919
  479    HA   ASN  64           HA       ASN  64  15.671   5.036   3.400
  480   1HB   ASN  64          1HB       ASN  64  14.446   6.591   1.122
  481   2HB   ASN  64          2HB       ASN  64  15.645   7.057   2.297
  482   1HD2  ASN  64          1HD2      ASN  64  15.050   5.240  -0.665
  483   2HD2  ASN  64          2HD2      ASN  64  16.747   5.108  -1.153
  484    H    VAL  65           H        VAL  65  12.749   5.266   1.398
  485    HA   VAL  65           HA       VAL  65  11.051   6.386   3.356
  486    HB   VAL  65           HB       VAL  65  10.588   4.677   0.886
  487   1HG1  VAL  65          1HG2      VAL  65   8.607   4.371   2.363
  488   2HG1  VAL  65          2HG2      VAL  65   8.237   5.324   0.924
  489   3HG1  VAL  65          3HG2      VAL  65   8.455   6.136   2.488
  490   1HG2  VAL  65          1HG1      VAL  65  11.582   6.996   0.712
  491   2HG2  VAL  65          2HG1      VAL  65  10.165   7.634   1.539
  492   3HG2  VAL  65          3HG1      VAL  65   9.990   6.876  -0.061
  493    H    ALA  66           H        ALA  66  11.592   2.971   2.514
  494    HA   ALA  66           HA       ALA  66   9.896   1.766   4.338
  495   1HB   ALA  66          1HB       ALA  66  11.377   0.603   2.645
  496   2HB   ALA  66          2HB       ALA  66  12.729   0.813   3.785
  497   3HB   ALA  66          3HB       ALA  66  11.362  -0.180   4.234
  498    H    SER  67           H        SER  67  13.240   2.930   5.004
  499    HA   SER  67           HA       SER  67  13.271   2.136   7.758
  500   1HB   SER  67          2HB       SER  67  14.879   4.314   6.343
  501   2HB   SER  67          1HB       SER  67  15.232   3.598   7.925
  502    HG   SER  67           HG       SER  67  15.185   2.266   5.414
  503    H    GLU  68           HN       GLU  68  12.504   5.205   6.122
  504    HA   GLU  68           HA       GLU  68  12.097   6.829   8.409
  505   1HB   GLU  68          1HB       GLU  68  10.708   6.862   5.698
  506   2HB   GLU  68          2HB       GLU  68  10.538   8.131   6.905
  507   1HG   GLU  68          2HG       GLU  68  12.798   8.808   6.732
  508   2HG   GLU  68          1HG       GLU  68  13.298   7.326   5.920
  509    H    TYR  69           H        TYR  69   9.756   4.723   6.672
  510    HA   TYR  69           HA       TYR  69   7.635   5.315   8.610
  511   1HB   TYR  69          2HB       TYR  69   7.928   3.499   6.200
  512   2HB   TYR  69          1HB       TYR  69   6.586   3.310   7.314
  513    HD1  TYR  69           HD1      TYR  69   5.047   5.278   7.792
  514    HD2  TYR  69           HD2      TYR  69   7.990   5.396   4.659
  515    HE1  TYR  69           HE1      TYR  69   4.230   7.514   7.096
  516    HE2  TYR  69           HE2      TYR  69   7.198   7.634   3.986
  517    HH   TYR  69           HH       TYR  69   5.803   9.400   4.521
  518    H    GLY  70           H        GLY  70  10.003   2.731   8.203
  519   1HA   GLY  70          2HA       GLY  70  10.848   1.505  10.049
  520   2HA   GLY  70          1HA       GLY  70   9.354   1.765  10.955
  521    H    ILE  71           H        ILE  71   9.910   0.619   7.612
  522    HA   ILE  71           HA       ILE  71   8.024  -1.581   7.906
  523    HB   ILE  71           HB       ILE  71  10.025  -0.977   5.709
  524   1HG1  ILE  71          1HG1      ILE  71   8.524   0.970   6.062
  525   2HG1  ILE  71          2HG1      ILE  71   8.295   0.160   4.529
  526   1HG2  ILE  71          1HG2      ILE  71   7.517  -2.711   5.776
  527   2HG2  ILE  71          2HG2      ILE  71   8.386  -2.260   4.294
  528   3HG2  ILE  71          3HG2      ILE  71   9.187  -3.245   5.523
  529   1HD1  ILE  71          1HD1      ILE  71   6.181   0.871   5.556
  530   2HD1  ILE  71          2HD1      ILE  71   6.523  -0.142   6.972
  531   3HD1  ILE  71          3HD1      ILE  71   6.217  -0.889   5.380
  532    H    ARG  72           HN       ARG  72   8.925  -2.649   9.705
  533    HA   ARG  72           HA       ARG  72  11.572  -3.733   9.693
  534   1HB   ARG  72          1HB       ARG  72  10.348  -3.316  11.756
  535   2HB   ARG  72          2HB       ARG  72   9.053  -4.415  11.268
  536   1HG   ARG  72          2HG       ARG  72  10.444  -5.446  12.963
  537   2HG   ARG  72          1HG       ARG  72  10.541  -6.355  11.472
  538   1HD   ARG  72          2HD       ARG  72  12.762  -5.160  10.980
  539   2HD   ARG  72          1HD       ARG  72  12.599  -4.369  12.546
  540    HE   ARG  72           HE       ARG  72  13.254  -6.293  13.597
  541   1HH1  ARG  72          1HH1      ARG  72  12.347  -7.116  10.254
  542   2HH1  ARG  72          2HH1      ARG  72  13.028  -8.715  10.335
  543   1HH2  ARG  72          1HH2      ARG  72  14.101  -8.397  13.699
  544   2HH2  ARG  72          2HH2      ARG  72  14.013  -9.466  12.326
  545    H    SER  73           H        SER  73   8.595  -4.856   8.201
  546    HA   SER  73           HA       SER  73   9.932  -7.068   6.951
  547   1HB   SER  73          2HB       SER  73   8.173  -8.751   7.777
  548   2HB   SER  73          1HB       SER  73   9.412  -8.285   8.941
  549    HG   SER  73           HG       SER  73   7.899  -6.770   9.803
  550    H    ILE  74           H        ILE  74   8.071  -8.240   5.622
  551    HA   ILE  74           HA       ILE  74   5.912  -6.484   4.818
  552    HB   ILE  74           HB       ILE  74   6.626  -6.713   2.368
  553   1HG1  ILE  74          1HG1      ILE  74   9.369  -7.236   3.517
  554   2HG1  ILE  74          2HG1      ILE  74   8.357  -8.443   2.697
  555   1HG2  ILE  74          1HG2      ILE  74   7.871  -4.668   2.404
  556   2HG2  ILE  74          2HG2      ILE  74   8.514  -4.999   4.019
  557   3HG2  ILE  74          3HG2      ILE  74   6.794  -4.600   3.796
  558   1HD1  ILE  74          1HD1      ILE  74   8.247  -6.895   0.704
  559   2HD1  ILE  74          2HD1      ILE  74   9.834  -7.584   1.031
  560   3HD1  ILE  74          3HD1      ILE  74   9.511  -5.905   1.474
  561    HA   PRO  75           HA       PRO  75   4.424  -6.993   2.591
  562   1HB   PRO  75          2HB       PRO  75   1.817  -7.765   2.768
  563   2HB   PRO  75          1HB       PRO  75   2.988  -8.342   1.578
  564   1HG   PRO  75          1HG       PRO  75   2.243  -9.640   4.257
  565   2HG   PRO  75          2HG       PRO  75   2.249 -10.444   2.663
  566   1HD   PRO  75          2HD       PRO  75   4.306 -10.608   4.458
  567   2HD   PRO  75          1HD       PRO  75   4.666 -10.487   2.720
  568    H    THR  76           H        THR  76   3.744  -5.202   3.298
  569    HA   THR  76           HA       THR  76   2.309  -4.875   5.871
  570    HB   THR  76           HB       THR  76   4.958  -3.504   5.274
  571    HG1  THR  76           HG1      THR  76   5.743  -4.885   6.702
  572   1HG2  THR  76          1HG2      THR  76   4.647  -2.514   7.536
  573   2HG2  THR  76          2HG2      THR  76   3.367  -1.979   6.428
  574   3HG2  THR  76          3HG2      THR  76   3.031  -3.242   7.633
  575    H    ILE  77           H        ILE  77   0.551  -4.019   5.079
  576    HA   ILE  77           HA       ILE  77   0.572  -2.117   2.837
  577    HB   ILE  77           HB       ILE  77  -1.615  -3.548   4.405
  578   1HG1  ILE  77          1HG1      ILE  77  -2.250  -4.210   2.049
  579   2HG1  ILE  77          2HG1      ILE  77  -0.720  -3.561   1.485
  580   1HG2  ILE  77          1HG2      ILE  77  -3.199  -2.340   2.872
  581   2HG2  ILE  77          2HG2      ILE  77  -2.445  -1.292   4.064
  582   3HG2  ILE  77          3HG2      ILE  77  -1.838  -1.295   2.392
  583   1HD1  ILE  77          1HD1      ILE  77   0.513  -5.255   2.755
  584   2HD1  ILE  77          2HD1      ILE  77  -0.970  -5.766   3.591
  585   3HD1  ILE  77          3HD1      ILE  77  -0.770  -6.061   1.851
  586    H    MET  78           H        MET  78   0.315   0.023   3.165
  587    HA   MET  78           HA       MET  78  -0.183   1.000   5.954
  588   1HB   MET  78          2HB       MET  78   1.531   2.224   3.822
  589   2HB   MET  78          1HB       MET  78   1.159   3.002   5.356
  590   1HG   MET  78          1HG       MET  78   2.725   0.396   5.107
  591   2HG   MET  78          2HG       MET  78   3.410   2.005   5.379
  592   1HE   MET  78          1HE       MET  78   4.034   0.909   8.957
  593   2HE   MET  78          2HE       MET  78   4.653   1.722   7.501
  594   3HE   MET  78          3HE       MET  78   4.344  -0.037   7.486
  595    H    VAL  79           H        VAL  79  -1.319   2.919   6.036
  596    HA   VAL  79           HA       VAL  79  -3.116   3.458   3.677
  597    HB   VAL  79           HB       VAL  79  -3.806   3.406   6.625
  598   1HG1  VAL  79          1HG1      VAL  79  -4.787   1.667   4.307
  599   2HG1  VAL  79          2HG1      VAL  79  -5.300   1.542   6.005
  600   3HG1  VAL  79          3HG1      VAL  79  -3.645   1.137   5.559
  601   1HG2  VAL  79          1HG2      VAL  79  -5.053   5.218   5.592
  602   2HG2  VAL  79          2HG2      VAL  79  -5.516   4.180   4.228
  603   3HG2  VAL  79          3HG2      VAL  79  -6.144   3.862   5.860
  604    H    PHE  80           H        PHE  80  -3.241   5.524   3.067
  605    HA   PHE  80           HA       PHE  80  -2.334   7.641   4.928
  606   1HB   PHE  80          1HB       PHE  80  -1.781   7.500   1.941
  607   2HB   PHE  80          2HB       PHE  80  -1.361   8.828   3.000
  608    HD1  PHE  80           HD1      PHE  80   0.833   8.928   3.861
  609    HD2  PHE  80           HD2      PHE  80  -0.705   5.158   2.450
  610    HE1  PHE  80           HE1      PHE  80   3.052   7.906   4.168
  611    HE2  PHE  80           HE2      PHE  80   1.501   4.124   2.869
  612    HZ   PHE  80           HZ       PHE  80   3.304   5.431   3.999
  613    H    LYS  81           HN       LYS  81  -3.533   9.531   4.821
  614    HA   LYS  81           HA       LYS  81  -5.621   9.895   2.822
  615   1HB   LYS  81          1HB       LYS  81  -7.322  10.276   4.773
  616   2HB   LYS  81          2HB       LYS  81  -7.087   8.686   4.059
  617   1HG   LYS  81          2HG       LYS  81  -7.338   8.539   6.439
  618   2HG   LYS  81          1HG       LYS  81  -5.782   7.893   5.917
  619   1HD   LYS  81          1HD       LYS  81  -4.583   9.761   6.756
  620   2HD   LYS  81          2HD       LYS  81  -6.042  10.761   6.907
  621   1HE   LYS  81          1HE       LYS  81  -5.522   8.239   8.525
  622   2HE   LYS  81          2HE       LYS  81  -5.090   9.875   9.059
  623   1HZ   LYS  81          1HZ       LYS  81  -7.176   9.206   9.946
  624   2HZ   LYS  81          2HZ       LYS  81  -7.394  10.472   8.914
  625   3HZ   LYS  81          3HZ       LYS  81  -7.807   8.945   8.448
  626    H    GLY  82           H        GLY  82  -5.931  12.033   2.452
  627   1HA   GLY  82          2HA       GLY  82  -5.334  14.257   2.489
  628   2HA   GLY  82          1HA       GLY  82  -5.267  14.145   4.263
  629    H    GLY  83           H        GLY  83  -3.437  12.324   1.792
  630   1HA   GLY  83          1HA       GLY  83  -1.230  12.281   1.205
  631   2HA   GLY  83          2HA       GLY  83  -0.907  13.728   2.204
  632    H    LYS  84           HN       LYS  84  -1.697  12.932   4.654
  633    HA   LYS  84           HA       LYS  84   0.762  11.593   5.408
  634   1HB   LYS  84          1HB       LYS  84  -1.511  12.650   7.102
  635   2HB   LYS  84          2HB       LYS  84   0.113  12.308   7.673
  636   1HG   LYS  84          1HG       LYS  84  -0.626  14.433   5.560
  637   2HG   LYS  84          2HG       LYS  84  -0.267  14.755   7.210
  638   1HD   LYS  84          2HD       LYS  84   1.668  13.657   5.125
  639   2HD   LYS  84          1HD       LYS  84   1.638  15.274   5.824
  640   1HE   LYS  84          2HE       LYS  84   2.113  14.277   8.090
  641   2HE   LYS  84          1HE       LYS  84   2.304  12.691   7.313
  642   1HZ   LYS  84          1HZ       LYS  84   4.067  13.597   6.007
  643   2HZ   LYS  84          2HZ       LYS  84   4.383  13.768   7.615
  644   3HZ   LYS  84          3HZ       LYS  84   3.905  15.071   6.728
  645    H    LYS  85           HN       LYS  85   0.897  10.023   7.024
  646    HA   LYS  85           HA       LYS  85  -0.492   7.587   6.186
  647   1HB   LYS  85          2HB       LYS  85   1.995   7.926   6.279
  648   2HB   LYS  85          1HB       LYS  85   1.894   8.072   8.013
  649   1HG   LYS  85          2HG       LYS  85   0.659   5.576   6.884
  650   2HG   LYS  85          1HG       LYS  85   2.394   5.737   6.642
  651   1HD   LYS  85          1HD       LYS  85   2.814   6.118   8.983
  652   2HD   LYS  85          2HD       LYS  85   1.085   6.095   9.376
  653   1HE   LYS  85          1HE       LYS  85   1.026   3.692   8.505
  654   2HE   LYS  85          2HE       LYS  85   2.798   3.793   8.389
  655   1HZ   LYS  85          1HZ       LYS  85   2.121   2.833  10.429
  656   2HZ   LYS  85          2HZ       LYS  85   1.153   4.118  10.795
  657   3HZ   LYS  85          3HZ       LYS  85   2.798   4.303  10.756
  658    H    CYS  86           H        CYS  86  -1.359   6.027   7.665
  659    HA   CYS  86           HA       CYS  86  -1.405   6.681  10.558
  660   1HB   CYS  86          2HB       CYS  86  -3.832   6.785   8.803
  661   2HB   CYS  86          1HB       CYS  86  -4.003   5.928  10.343
  662    HG   CYS  86           HG       CYS  86  -2.579   8.860  10.150
  663    H    GLU  87           HN       GLU  87  -3.310   4.338   8.588
  664    HA   GLU  87           HA       GLU  87  -2.766   2.393  10.650
  665   1HB   GLU  87          2HB       GLU  87  -4.044   1.720   8.001
  666   2HB   GLU  87          1HB       GLU  87  -4.306   0.986   9.566
  667   1HG   GLU  87          2HG       GLU  87  -5.215   3.790   8.748
  668   2HG   GLU  87          1HG       GLU  87  -6.219   2.369   8.897
  669    H    THR  88           H        THR  88  -1.921   0.374  10.415
  670    HA   THR  88           HA       THR  88   0.056  -0.220   8.290
  671    HB   THR  88           HB       THR  88   0.449  -0.447  11.318
  672    HG1  THR  88           HG1      THR  88   0.613   1.661  10.363
  673   1HG2  THR  88          1HG2      THR  88   2.800  -1.067  10.689
  674   2HG2  THR  88          2HG2      THR  88   1.613  -2.278  10.175
  675   3HG2  THR  88          3HG2      THR  88   2.297  -1.153   8.988
  676    H    ILE  89           H        ILE  89  -0.822  -2.067   7.412
  677    HA   ILE  89           HA       ILE  89  -2.184  -4.040   9.206
  678    HB   ILE  89           HB       ILE  89  -2.880  -3.281   6.336
  679   1HG1  ILE  89          2HG1      ILE  89  -4.475  -2.693   8.870
  680   2HG1  ILE  89          1HG1      ILE  89  -3.486  -1.493   8.031
  681   1HG2  ILE  89          1HG2      ILE  89  -4.846  -4.770   6.742
  682   2HG2  ILE  89          2HG2      ILE  89  -4.221  -5.149   8.355
  683   3HG2  ILE  89          3HG2      ILE  89  -3.335  -5.655   6.902
  684   1HD1  ILE  89          1HD1      ILE  89  -4.801  -1.785   5.965
  685   2HD1  ILE  89          2HD1      ILE  89  -5.728  -1.161   7.341
  686   3HD1  ILE  89          3HD1      ILE  89  -5.920  -2.849   6.850
  687    H    ILE  90           H        ILE  90  -1.141  -6.004   9.157
  688    HA   ILE  90           HA       ILE  90   1.129  -6.348   7.323
  689    HB   ILE  90           HB       ILE  90  -0.056  -8.172   9.462
  690   1HG1  ILE  90          1HG1      ILE  90   2.311  -6.230   9.509
  691   2HG1  ILE  90          2HG1      ILE  90   0.784  -6.030  10.377
  692   1HG2  ILE  90          1HG2      ILE  90   2.091  -9.391   9.310
  693   2HG2  ILE  90          2HG2      ILE  90   2.633  -8.306   8.013
  694   3HG2  ILE  90          3HG2      ILE  90   1.275  -9.426   7.764
  695   1HD1  ILE  90          1HD1      ILE  90   2.908  -8.116  10.942
  696   2HD1  ILE  90          2HD1      ILE  90   1.271  -8.144  11.648
  697   3HD1  ILE  90          3HD1      ILE  90   2.365  -6.782  11.963
  698    H    GLY  91           H        GLY  91   1.208  -7.947   5.675
  699   1HA   GLY  91          1HA       GLY  91  -1.375  -8.578   4.434
  700   2HA   GLY  91          2HA       GLY  91   0.202  -8.995   3.801
  701    H    ALA  92           H        ALA  92   0.084 -11.269   3.543
  702    HA   ALA  92           HA       ALA  92  -0.111 -13.445   4.009
  703   1HB   ALA  92          1HB       ALA  92  -0.475 -12.837   6.978
  704   2HB   ALA  92          2HB       ALA  92   0.052 -14.333   6.211
  705   3HB   ALA  92          3HB       ALA  92   1.105 -12.908   6.162
  706    H    VAL  93           H        VAL  93  -2.472 -11.539   5.884
  707    HA   VAL  93           HA       VAL  93  -4.599 -13.457   5.522
  708    HB   VAL  93           HB       VAL  93  -6.031 -11.733   6.491
  709   1HG1  VAL  93          1HG2      VAL  93  -5.145  -9.585   7.275
  710   2HG1  VAL  93          2HG2      VAL  93  -5.038  -9.673   5.515
  711   3HG1  VAL  93          3HG2      VAL  93  -3.586  -9.900   6.506
  712   1HG2  VAL  93          1HG1      VAL  93  -4.673 -13.205   7.949
  713   2HG2  VAL  93          2HG1      VAL  93  -3.388 -11.979   7.988
  714   3HG2  VAL  93          3HG1      VAL  93  -4.978 -11.622   8.685
  715    HA   PRO  94           HA       PRO  94  -5.703 -12.232   1.426
  716   1HB   PRO  94          1HB       PRO  94  -8.602 -12.371   2.211
  717   2HB   PRO  94          2HB       PRO  94  -7.784 -13.173   0.843
  718   1HG   PRO  94          2HG       PRO  94  -8.442 -14.605   3.060
  719   2HG   PRO  94          1HG       PRO  94  -6.845 -14.835   2.287
  720   1HD   PRO  94          1HD       PRO  94  -7.505 -13.150   4.712
  721   2HD   PRO  94          2HD       PRO  94  -6.202 -14.330   4.488
  722    H    LYS  95           HN       LYS  95  -6.445 -10.428   0.197
  723    HA   LYS  95           HA       LYS  95  -6.440  -7.908   1.320
  724   1HB   LYS  95          2HB       LYS  95  -7.745  -8.948  -1.228
  725   2HB   LYS  95          1HB       LYS  95  -7.636  -7.244  -0.840
  726   1HG   LYS  95          1HG       LYS  95  -5.287  -9.162  -1.241
  727   2HG   LYS  95          2HG       LYS  95  -5.844  -7.910  -2.351
  728   1HD   LYS  95          2HD       LYS  95  -4.521  -7.466   0.351
  729   2HD   LYS  95          1HD       LYS  95  -3.854  -7.170  -1.244
  730   1HE   LYS  95          2HE       LYS  95  -5.623  -5.451  -1.677
  731   2HE   LYS  95          1HE       LYS  95  -6.213  -5.666  -0.015
  732   1HZ   LYS  95          1HZ       LYS  95  -3.526  -4.777  -0.773
  733   2HZ   LYS  95          2HZ       LYS  95  -4.073  -4.987   0.768
  734   3HZ   LYS  95          3HZ       LYS  95  -4.741  -3.828  -0.193
  735    H    ALA  96           H        ALA  96  -9.259  -9.981   0.731
  736    HA   ALA  96           HA       ALA  96 -11.367  -8.269   1.315
  737   1HB   ALA  96          1HB       ALA  96 -12.542 -10.239   2.232
  738   2HB   ALA  96          2HB       ALA  96 -11.647 -10.657   0.759
  739   3HB   ALA  96          3HB       ALA  96 -11.003 -11.117   2.352
  740    H    THR  97           H        THR  97  -9.116  -9.775   3.673
  741    HA   THR  97           HA       THR  97 -10.422  -8.882   6.045
  742    HB   THR  97           HB       THR  97  -7.414  -9.275   5.841
  743    HG1  THR  97           HG1      THR  97  -7.953 -10.906   4.618
  744   1HG2  THR  97          1HG2      THR  97  -8.503  -8.935   8.068
  745   2HG2  THR  97          2HG2      THR  97  -7.765 -10.543   7.906
  746   3HG2  THR  97          3HG2      THR  97  -9.522 -10.365   7.758
  747    H    ILE  98           H        ILE  98  -7.861  -7.583   3.961
  748    HA   ILE  98           HA       ILE  98  -7.228  -5.251   5.533
  749    HB   ILE  98           HB       ILE  98  -6.681  -5.934   2.594
  750   1HG1  ILE  98          1HG1      ILE  98  -5.237  -6.504   5.205
  751   2HG1  ILE  98          2HG1      ILE  98  -5.721  -7.630   3.936
  752   1HG2  ILE  98          1HG2      ILE  98  -5.383  -3.869   4.436
  753   2HG2  ILE  98          2HG2      ILE  98  -4.944  -4.204   2.748
  754   3HG2  ILE  98          3HG2      ILE  98  -6.502  -3.484   3.113
  755   1HD1  ILE  98          1HD1      ILE  98  -3.365  -7.374   3.815
  756   2HD1  ILE  98          2HD1      ILE  98  -3.464  -5.609   3.833
  757   3HD1  ILE  98          3HD1      ILE  98  -4.037  -6.522   2.413
  758    H    VAL  99           H        VAL  99  -9.483  -5.872   2.845
  759    HA   VAL  99           HA       VAL  99 -10.356  -3.219   2.371
  760    HB   VAL  99           HB       VAL  99 -11.605  -5.962   2.038
  761   1HG1  VAL  99          1HG1      VAL  99 -13.529  -4.515   2.454
  762   2HG1  VAL  99          2HG1      VAL  99 -12.907  -3.331   1.281
  763   3HG1  VAL  99          3HG1      VAL  99 -13.428  -4.951   0.757
  764   1HG2  VAL  99          1HG2      VAL  99 -10.740  -3.843   0.034
  765   2HG2  VAL  99          2HG2      VAL  99 -11.298  -5.491  -0.326
  766   3HG2  VAL  99          3HG2      VAL  99  -9.758  -5.240   0.516
  767    H    GLN 100           H        GLN 100 -11.829  -5.792   4.411
  768    HA   GLN 100           HA       GLN 100 -13.789  -4.180   5.663
  769   1HB   GLN 100          1HB       GLN 100 -12.369  -6.765   6.238
  770   2HB   GLN 100          2HB       GLN 100 -13.141  -5.985   7.614
  771   1HG   GLN 100          2HG       GLN 100 -14.543  -7.662   6.353
  772   2HG   GLN 100          1HG       GLN 100 -15.273  -6.093   6.723
  773   1HE2  GLN 100          1HE2      GLN 100 -13.221  -7.376   3.967
  774   2HE2  GLN 100          2HE2      GLN 100 -14.376  -6.833   2.759
  775    H    THR 101           H        THR 101 -10.417  -4.803   6.667
  776    HA   THR 101           HA       THR 101 -10.534  -3.278   9.061
  777    HB   THR 101           HB       THR 101  -8.131  -3.784   7.254
  778    HG1  THR 101           HG1      THR 101  -9.145  -5.702   7.902
  779   1HG2  THR 101          1HG2      THR 101  -8.332  -3.112  10.226
  780   2HG2  THR 101          2HG2      THR 101  -6.853  -3.614   9.387
  781   3HG2  THR 101          3HG2      THR 101  -7.625  -2.077   8.964
  782    H    VAL 102           H        VAL 102  -9.445  -2.211   5.747
  783    HA   VAL 102           HA       VAL 102  -8.824   0.416   6.686
  784    HB   VAL 102           HB       VAL 102  -8.022  -0.853   4.633
  785   1HG1  VAL 102          1HG2      VAL 102  -7.444   1.286   3.506
  786   2HG1  VAL 102          2HG2      VAL 102  -7.394   1.495   5.265
  787   3HG1  VAL 102          3HG2      VAL 102  -8.783   2.094   4.351
  788   1HG2  VAL 102          1HG1      VAL 102 -10.068  -1.284   3.443
  789   2HG2  VAL 102          2HG1      VAL 102 -10.373   0.455   3.234
  790   3HG2  VAL 102          3HG1      VAL 102  -8.969  -0.317   2.475
  791    H    GLU 103           HN       GLU 103 -11.647  -0.946   5.071
  792    HA   GLU 103           HA       GLU 103 -13.219   1.323   4.693
  793   1HB   GLU 103          2HB       GLU 103 -13.924  -1.525   5.472
  794   2HB   GLU 103          1HB       GLU 103 -15.159  -0.304   5.168
  795   1HG   GLU 103          2HG       GLU 103 -14.415   0.075   2.906
  796   2HG   GLU 103          1HG       GLU 103 -13.042  -1.007   3.096
  797    H    LYS 104           HN       LYS 104 -12.776  -0.497   7.730
  798    HA   LYS 104           HA       LYS 104 -14.776   0.870   9.200
  799   1HB   LYS 104          1HB       LYS 104 -14.047  -0.276  10.995
  800   2HB   LYS 104          2HB       LYS 104 -13.196  -1.217   9.771
  801   1HG   LYS 104          2HG       LYS 104 -11.200   0.408  10.246
  802   2HG   LYS 104          1HG       LYS 104 -12.101   0.895  11.682
  803   1HD   LYS 104          2HD       LYS 104 -11.176  -1.924  10.970
  804   2HD   LYS 104          1HD       LYS 104 -10.422  -0.848  12.152
  805   1HE   LYS 104          2HE       LYS 104 -12.548  -0.851  13.486
  806   2HE   LYS 104          1HE       LYS 104 -13.240  -2.019  12.341
  807   1HZ   LYS 104          1HZ       LYS 104 -10.843  -2.454  13.972
  808   2HZ   LYS 104          2HZ       LYS 104 -12.337  -3.089  14.252
  809   3HZ   LYS 104          3HZ       LYS 104 -11.494  -3.531  12.907
  810    H    TYR 105           H        TYR 105 -11.577   1.962   8.223
  811    HA   TYR 105           HA       TYR 105 -11.651   4.297  10.065
  812   1HB   TYR 105          2HB       TYR 105  -9.560   3.350   8.068
  813   2HB   TYR 105          1HB       TYR 105  -9.412   4.742   9.133
  814    HD1  TYR 105           HD1      TYR 105  -8.733   1.257   8.809
  815    HD2  TYR 105           HD2      TYR 105  -9.676   4.298  11.711
  816    HE1  TYR 105           HE1      TYR 105  -7.882  -0.205  10.620
  817    HE2  TYR 105           HE2      TYR 105  -8.815   2.843  13.515
  818    HH   TYR 105           HH       TYR 105  -7.815   0.823  14.031
  819    H    LEU 106           H        LEU 106 -11.690   3.431   6.598
  820    HA   LEU 106           HA       LEU 106 -12.334   6.256   5.857
  821   1HB   LEU 106          2HB       LEU 106 -11.594   3.831   4.167
  822   2HB   LEU 106          1HB       LEU 106 -11.908   5.468   3.558
  823    HG   LEU 106           HG       LEU 106  -9.622   4.594   5.380
  824   1HD1  LEU 106          1HD2      LEU 106  -8.723   6.896   4.951
  825   2HD1  LEU 106          2HD2      LEU 106 -10.175   6.906   5.955
  826   3HD1  LEU 106          3HD2      LEU 106 -10.284   7.347   4.234
  827   1HD2  LEU 106          1HD1      LEU 106  -9.498   3.866   3.016
  828   2HD2  LEU 106          2HD1      LEU 106  -9.670   5.545   2.481
  829   3HD2  LEU 106          3HD1      LEU 106  -8.234   5.048   3.405
  830    H    ASN 107           H        ASN 107 -13.519   3.759   3.713
  831    HA   ASN 107           HA       ASN 107 -16.041   3.262   4.792
  832   1HB   ASN 107          2HB       ASN 107 -16.207   5.784   4.070
  833   2HB   ASN 107          1HB       ASN 107 -16.041   5.186   2.420
  834   1HD2  ASN 107          1HD2      ASN 107 -17.667   2.800   2.629
  835   2HD2  ASN 107          2HD2      ASN 107 -19.329   3.343   2.907
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   0.340  -3.287 -11.903
    2   2H    MET   1          2H        MET   1  -0.356  -2.106 -10.968
    3   3H    MET   1          3H        MET   1  -1.252  -3.374 -11.447
    4    HA   MET   1           HA       MET   1  -0.088  -1.223 -13.077
    5   1HB   MET   1          2HB       MET   1  -1.200  -2.123 -15.032
    6   2HB   MET   1          1HB       MET   1   0.041  -3.208 -14.415
    7   1HG   MET   1          1HG       MET   1  -2.955  -3.603 -14.061
    8   2HG   MET   1          2HG       MET   1  -1.946  -4.369 -15.273
    9   1HE   MET   1          1HE       MET   1  -3.964  -5.584 -12.932
   10   2HE   MET   1          2HE       MET   1  -3.103  -7.091 -12.548
   11   3HE   MET   1          3HE       MET   1  -3.316  -6.597 -14.244
   12    H    GLU   2           HN       GLU   2  -3.149  -2.805 -11.944
   13    HA   GLU   2           HA       GLU   2  -4.727  -0.380 -12.423
   14   1HB   GLU   2          1HB       GLU   2  -5.216  -2.842 -10.696
   15   2HB   GLU   2          2HB       GLU   2  -6.403  -1.569 -11.034
   16   1HG   GLU   2          2HG       GLU   2  -6.438  -2.154 -13.396
   17   2HG   GLU   2          1HG       GLU   2  -5.159  -3.355 -13.167
   18    H    ALA   3           H        ALA   3  -3.253  -2.172  -9.748
   19    HA   ALA   3           HA       ALA   3  -3.188   0.094  -7.903
   20   1HB   ALA   3          1HB       ALA   3  -3.244  -2.267  -7.069
   21   2HB   ALA   3          2HB       ALA   3  -1.735  -2.598  -7.931
   22   3HB   ALA   3          3HB       ALA   3  -1.744  -1.450  -6.576
   23    H    GLY   4           H        GLY   4  -1.399   1.621  -7.901
   24   1HA   GLY   4          1HA       GLY   4   0.389   1.485 -10.218
   25   2HA   GLY   4          2HA       GLY   4   0.373   2.705  -8.942
   26    H    ALA   5           H        ALA   5   2.811   2.166  -9.575
   27    HA   ALA   5           HA       ALA   5   3.886   0.341  -7.483
   28   1HB   ALA   5          1HB       ALA   5   4.395  -0.616  -9.699
   29   2HB   ALA   5          2HB       ALA   5   5.859   0.028  -8.927
   30   3HB   ALA   5          3HB       ALA   5   5.068   0.944 -10.228
   31    H    VAL   6           H        VAL   6   5.371   1.488  -6.126
   32    HA   VAL   6           HA       VAL   6   5.989   4.295  -6.950
   33    HB   VAL   6           HB       VAL   6   5.493   5.161  -4.782
   34   1HG1  VAL   6          1HG1      VAL   6   4.738   2.365  -3.890
   35   2HG1  VAL   6          2HG1      VAL   6   4.535   3.846  -2.946
   36   3HG1  VAL   6          3HG1      VAL   6   6.165   3.289  -3.339
   37   1HG2  VAL   6          1HG2      VAL   6   3.520   4.848  -6.304
   38   2HG2  VAL   6          2HG2      VAL   6   3.116   4.852  -4.562
   39   3HG2  VAL   6          3HG2      VAL   6   3.196   3.323  -5.438
   40    H    ASN   7           H        ASN   7   7.668   5.280  -5.747
   41    HA   ASN   7           HA       ASN   7   9.461   3.579  -4.228
   42   1HB   ASN   7          2HB       ASN   7  10.375   3.282  -6.463
   43   2HB   ASN   7          1HB       ASN   7  10.247   5.022  -6.814
   44   1HD2  ASN   7          1HD2      ASN   7  11.705   2.974  -4.185
   45   2HD2  ASN   7          2HD2      ASN   7  13.311   3.636  -4.359
   46    H    ASP   8           HN       ASP   8  11.240   5.042  -3.405
   47    HA   ASP   8           HA       ASP   8  10.342   6.835  -1.582
   48   1HB   ASP   8          2HB       ASP   8  12.980   7.082  -3.108
   49   2HB   ASP   8          1HB       ASP   8  12.623   7.857  -1.563
   50    H    ASP   9           HN       ASP   9  11.359   7.760  -4.842
   51    HA   ASP   9           HA       ASP   9  10.871  10.585  -4.563
   52   1HB   ASP   9          1HB       ASP   9  12.321   9.757  -6.311
   53   2HB   ASP   9          2HB       ASP   9  11.056   8.753  -7.004
   54    H    THR  10           H        THR  10   9.068   8.355  -6.683
   55    HA   THR  10           HA       THR  10   6.876   9.975  -7.188
   56    HB   THR  10           HB       THR  10   5.694   7.917  -7.830
   57    HG1  THR  10           HG1      THR  10   6.179   6.523  -6.237
   58   1HG2  THR  10          1HG2      THR  10   7.276   7.035  -9.439
   59   2HG2  THR  10          2HG2      THR  10   8.662   7.654  -8.531
   60   3HG2  THR  10          3HG2      THR  10   7.532   8.786  -9.302
   61    H    PHE  11           H        PHE  11   7.353   7.788  -4.487
   62    HA   PHE  11           HA       PHE  11   5.025   7.427  -3.193
   63   1HB   PHE  11          2HB       PHE  11   7.233   6.726  -2.450
   64   2HB   PHE  11          1HB       PHE  11   7.628   8.360  -1.974
   65    HD1  PHE  11           HD1      PHE  11   7.346   8.909   0.257
   66    HD2  PHE  11           HD2      PHE  11   5.116   5.615  -1.370
   67    HE1  PHE  11           HE1      PHE  11   6.582   8.325   2.540
   68    HE2  PHE  11           HE2      PHE  11   4.344   5.020   0.915
   69    HZ   PHE  11           HZ       PHE  11   5.096   6.356   2.871
   70    H    LYS  12           HN       LYS  12   6.996  10.267  -3.078
   71    HA   LYS  12           HA       LYS  12   5.646  12.009  -1.301
   72   1HB   LYS  12          1HB       LYS  12   7.040  12.656  -3.939
   73   2HB   LYS  12          2HB       LYS  12   6.561  13.826  -2.743
   74   1HG   LYS  12          1HG       LYS  12   8.559  11.518  -2.349
   75   2HG   LYS  12          2HG       LYS  12   8.989  13.174  -2.753
   76   1HD   LYS  12          1HD       LYS  12   9.286  13.462  -0.542
   77   2HD   LYS  12          2HD       LYS  12   7.529  13.617  -0.475
   78   1HE   LYS  12          1HE       LYS  12   8.290  12.041   1.226
   79   2HE   LYS  12          2HE       LYS  12   7.384  11.149  -0.006
   80   1HZ   LYS  12          1HZ       LYS  12   9.473  10.421  -0.930
   81   2HZ   LYS  12          2HZ       LYS  12   9.429  10.066   0.674
   82   3HZ   LYS  12          3HZ       LYS  12  10.317  11.344   0.143
   83    H    ASN  13           H        ASN  13   5.290  11.987  -4.853
   84    HA   ASN  13           HA       ASN  13   3.106  13.887  -4.893
   85   1HB   ASN  13          1HB       ASN  13   4.263  12.033  -7.015
   86   2HB   ASN  13          2HB       ASN  13   3.141  13.350  -7.314
   87   1HD2  ASN  13          2HD2      ASN  13   4.840  15.004  -5.100
   88   2HD2  ASN  13          1HD2      ASN  13   6.166  15.524  -6.119
   89    H    VAL  14           H        VAL  14   3.445  10.440  -5.104
   90    HA   VAL  14           HA       VAL  14   0.591   9.907  -5.959
   91    HB   VAL  14           HB       VAL  14   2.935   8.750  -6.603
   92   1HG1  VAL  14          1HG2      VAL  14   1.694   6.534  -6.951
   93   2HG1  VAL  14          2HG2      VAL  14   0.440   7.066  -5.824
   94   3HG1  VAL  14          3HG2      VAL  14   0.584   7.858  -7.416
   95   1HG2  VAL  14          1HG1      VAL  14   2.233   6.945  -4.459
   96   2HG2  VAL  14          2HG1      VAL  14   3.450   8.255  -4.360
   97   3HG2  VAL  14          3HG1      VAL  14   3.635   6.984  -5.556
   98    H    VAL  15           H        VAL  15   2.490   9.266  -3.048
   99    HA   VAL  15           HA       VAL  15   0.024   8.163  -1.802
  100    HB   VAL  15           HB       VAL  15   2.888   8.202  -0.876
  101   1HG1  VAL  15          1HG1      VAL  15   1.226   8.037   1.007
  102   2HG1  VAL  15          2HG1      VAL  15   2.178   6.572   0.821
  103   3HG1  VAL  15          3HG1      VAL  15   0.515   6.630   0.190
  104   1HG2  VAL  15          1HG2      VAL  15   1.466   6.121  -2.431
  105   2HG2  VAL  15          2HG2      VAL  15   2.755   5.701  -1.272
  106   3HG2  VAL  15          3HG2      VAL  15   3.107   6.807  -2.559
  107    H    LEU  16           H        LEU  16   2.650  10.515  -0.947
  108    HA   LEU  16           HA       LEU  16   1.160  11.348   1.401
  109   1HB   LEU  16          1HB       LEU  16   3.435  12.855   0.061
  110   2HB   LEU  16          2HB       LEU  16   2.837  13.021   1.704
  111    HG   LEU  16           HG       LEU  16   4.303  10.627   0.505
  112   1HD1  LEU  16          1HD2      LEU  16   5.001  12.525   2.786
  113   2HD1  LEU  16          2HD2      LEU  16   5.661  12.615   1.142
  114   3HD1  LEU  16          3HD2      LEU  16   6.011  11.204   2.165
  115   1HD2  LEU  16          1HD1      LEU  16   4.235   9.636   2.787
  116   2HD2  LEU  16          2HD1      LEU  16   2.629   9.719   2.066
  117   3HD2  LEU  16          3HD1      LEU  16   3.109  10.904   3.301
  118    H    GLU  17           HN       GLU  17   1.843  13.129  -1.673
  119    HA   GLU  17           HA       GLU  17  -0.110  15.182  -0.992
  120   1HB   GLU  17          2HB       GLU  17   1.402  14.556  -3.551
  121   2HB   GLU  17          1HB       GLU  17   0.534  16.051  -3.213
  122   1HG   GLU  17          1HG       GLU  17   2.049  16.628  -1.399
  123   2HG   GLU  17          2HG       GLU  17   2.898  15.084  -1.527
  124    H    SER  18           H        SER  18  -1.532  12.789  -0.859
  125    HA   SER  18           HA       SER  18  -2.944  12.365  -3.415
  126   1HB   SER  18          1HB       SER  18  -3.997  10.535  -2.054
  127   2HB   SER  18          2HB       SER  18  -2.236  10.403  -2.210
  128    HG   SER  18           HG       SER  18  -2.030  10.752  -0.122
  129    H    SER  19           H        SER  19  -5.320  12.273  -3.344
  130    HA   SER  19           HA       SER  19  -6.593  14.365  -1.651
  131   1HB   SER  19          1HB       SER  19  -8.345  14.108  -3.510
  132   2HB   SER  19          2HB       SER  19  -6.786  14.809  -3.995
  133    HG   SER  19           HG       SER  19  -7.391  13.159  -5.451
  134    H    VAL  20           H        VAL  20  -7.511  11.433  -3.347
  135    HA   VAL  20           HA       VAL  20  -9.288  10.446  -1.226
  136    HB   VAL  20           HB       VAL  20  -9.617   8.557  -2.786
  137   1HG1  VAL  20          1HG1      VAL  20  -7.652   9.912  -4.671
  138   2HG1  VAL  20          2HG1      VAL  20  -7.355   8.401  -3.785
  139   3HG1  VAL  20          3HG1      VAL  20  -8.643   8.481  -4.991
  140   1HG2  VAL  20          1HG2      VAL  20  -9.790  11.247  -4.194
  141   2HG2  VAL  20          2HG2      VAL  20 -10.961  10.615  -3.016
  142   3HG2  VAL  20          3HG2      VAL  20 -10.726   9.785  -4.563
  143    HA   PRO  21           HA       PRO  21  -6.424   7.924   0.970
  144   1HB   PRO  21          2HB       PRO  21  -8.084   5.519   0.319
  145   2HB   PRO  21          1HB       PRO  21  -7.437   5.995   1.905
  146   1HG   PRO  21          2HG       PRO  21 -10.034   6.348   1.202
  147   2HG   PRO  21          1HG       PRO  21  -9.185   7.597   2.136
  148   1HD   PRO  21          1HD       PRO  21  -9.863   7.577  -0.792
  149   2HD   PRO  21          2HD       PRO  21  -9.802   8.953   0.342
  150    H    VAL  22           H        VAL  22  -4.985   5.994   0.792
  151    HA   VAL  22           HA       VAL  22  -4.465   4.956  -1.927
  152    HB   VAL  22           HB       VAL  22  -2.413   6.468  -0.258
  153   1HG1  VAL  22          1HG1      VAL  22  -0.987   6.203  -2.258
  154   2HG1  VAL  22          2HG1      VAL  22  -1.473   4.637  -1.607
  155   3HG1  VAL  22          3HG1      VAL  22  -2.278   5.291  -3.053
  156   1HG2  VAL  22          1HG2      VAL  22  -3.874   7.349  -2.774
  157   2HG2  VAL  22          2HG2      VAL  22  -2.395   8.094  -2.151
  158   3HG2  VAL  22          3HG2      VAL  22  -3.867   8.145  -1.182
  159    H    LEU  23           H        LEU  23  -4.168   2.717  -1.659
  160    HA   LEU  23           HA       LEU  23  -3.298   1.696   1.005
  161   1HB   LEU  23          2HB       LEU  23  -5.365   0.916  -0.060
  162   2HB   LEU  23          1HB       LEU  23  -4.478   0.311  -1.440
  163    HG   LEU  23           HG       LEU  23  -3.968  -0.642   1.404
  164   1HD1  LEU  23          1HD1      LEU  23  -2.157  -1.355  -0.112
  165   2HD1  LEU  23          2HD1      LEU  23  -3.207  -2.742   0.148
  166   3HD1  LEU  23          3HD1      LEU  23  -3.333  -1.819  -1.357
  167   1HD2  LEU  23          1HD2      LEU  23  -5.840  -1.823  -0.684
  168   2HD2  LEU  23          2HD2      LEU  23  -6.333  -0.988   0.804
  169   3HD2  LEU  23          3HD2      LEU  23  -5.459  -2.525   0.904
  170    H    VAL  24           H        VAL  24  -1.057   1.771   1.070
  171    HA   VAL  24           HA       VAL  24   0.502   1.142  -1.403
  172    HB   VAL  24           HB       VAL  24   1.427   2.265   1.265
  173   1HG1  VAL  24          1HG1      VAL  24   2.789   2.080  -1.462
  174   2HG1  VAL  24          2HG1      VAL  24   3.229   1.142  -0.020
  175   3HG1  VAL  24          3HG1      VAL  24   3.449   2.894  -0.030
  176   1HG2  VAL  24          1HG2      VAL  24   1.563   4.407   0.162
  177   2HG2  VAL  24          2HG2      VAL  24   0.862   3.741  -1.329
  178   3HG2  VAL  24          3HG2      VAL  24  -0.111   3.856   0.160
  179    H    ASP  25           HN       ASP  25   0.920  -1.077  -1.600
  180    HA   ASP  25           HA       ASP  25   1.334  -2.671   0.878
  181   1HB   ASP  25          2HB       ASP  25  -0.011  -3.728  -0.844
  182   2HB   ASP  25          1HB       ASP  25   1.270  -3.465  -2.032
  183    H    PHE  26           H        PHE  26   3.363  -2.673   1.754
  184    HA   PHE  26           HA       PHE  26   5.697  -1.878   0.145
  185   1HB   PHE  26          2HB       PHE  26   5.338  -2.831   2.997
  186   2HB   PHE  26          1HB       PHE  26   6.904  -2.616   2.240
  187    HD1  PHE  26           HD1      PHE  26   3.762  -0.434   2.216
  188    HD2  PHE  26           HD2      PHE  26   7.977  -0.769   3.105
  189    HE1  PHE  26           HE1      PHE  26   3.855   1.962   2.719
  190    HE2  PHE  26           HE2      PHE  26   7.989   1.594   3.850
  191    HZ   PHE  26           HZ       PHE  26   5.910   2.957   3.685
  192    H    TRP  27           H        TRP  27   6.531  -3.367  -1.252
  193    HA   TRP  27           HA       TRP  27   6.319  -6.269  -0.578
  194   1HB   TRP  27          2HB       TRP  27   5.749  -6.791  -2.809
  195   2HB   TRP  27          1HB       TRP  27   4.614  -5.559  -2.285
  196    HD1  TRP  27           HD1      TRP  27   5.313  -3.018  -3.238
  197    HE1  TRP  27           HE1      TRP  27   6.446  -2.290  -5.458
  198    HE3  TRP  27           HE3      TRP  27   7.045  -7.568  -4.793
  199    HZ2  TRP  27           HZ2      TRP  27   8.027  -3.524  -7.505
  200    HZ3  TRP  27           HZ3      TRP  27   8.346  -7.764  -6.883
  201    HH2  TRP  27           HH2      TRP  27   8.848  -5.754  -8.246
  202    H    ALA  28           H        ALA  28   7.654  -7.409  -2.503
  203    HA   ALA  28           HA       ALA  28   9.915  -6.112  -3.563
  204   1HB   ALA  28          1HB       ALA  28  10.721  -6.237  -1.131
  205   2HB   ALA  28          2HB       ALA  28  10.483  -7.997  -1.208
  206   3HB   ALA  28          3HB       ALA  28  11.701  -7.215  -2.214
  207    HA   PRO  29           HA       PRO  29   9.375  -9.848  -5.941
  208   1HB   PRO  29          1HB       PRO  29  11.905 -10.591  -6.740
  209   2HB   PRO  29          2HB       PRO  29  10.980  -9.224  -7.436
  210   1HG   PRO  29          1HG       PRO  29  13.116  -9.114  -5.290
  211   2HG   PRO  29          2HG       PRO  29  12.952  -8.070  -6.731
  212   1HD   PRO  29          1HD       PRO  29  12.054  -7.224  -4.326
  213   2HD   PRO  29          2HD       PRO  29  11.073  -6.929  -5.769
  214    H    TRP  30           H        TRP  30  11.934  -9.907  -3.483
  215    HA   TRP  30           HA       TRP  30  11.812 -12.772  -3.025
  216   1HB   TRP  30          1HB       TRP  30  13.266 -12.157  -1.085
  217   2HB   TRP  30          2HB       TRP  30  13.862 -11.659  -2.658
  218    HD1  TRP  30           HD1      TRP  30  14.567  -9.231  -2.935
  219    HE1  TRP  30           HE1      TRP  30  14.652  -7.155  -1.424
  220    HE3  TRP  30           HE3      TRP  30  11.491 -10.847   0.853
  221    HZ2  TRP  30           HZ2      TRP  30  13.365  -6.242   0.989
  222    HZ3  TRP  30           HZ3      TRP  30  10.982  -9.371   2.741
  223    HH2  TRP  30           HH2      TRP  30  11.723  -7.008   2.726
  224    H    CYS  31           H        CYS  31   9.523 -10.362  -2.307
  225    HA   CYS  31           HA       CYS  31   9.008 -10.969   0.470
  226   1HB   CYS  31          1HB       CYS  31   8.059  -8.981  -0.521
  227   2HB   CYS  31          2HB       CYS  31   7.210  -9.957  -1.720
  228    H    GLY  32           H        GLY  32   7.239 -12.094  -2.455
  229   1HA   GLY  32          2HA       GLY  32   6.547 -14.318  -2.846
  230   2HA   GLY  32          1HA       GLY  32   6.571 -14.712  -1.139
  231    HA   PRO  33           HA       PRO  33   2.237 -14.121  -0.692
  232   1HB   PRO  33          2HB       PRO  33   2.840 -11.958   1.335
  233   2HB   PRO  33          1HB       PRO  33   1.591 -13.240   1.390
  234   1HG   PRO  33          1HG       PRO  33   3.917 -13.620   2.721
  235   2HG   PRO  33          2HG       PRO  33   3.280 -14.943   1.697
  236   1HD   PRO  33          2HD       PRO  33   5.403 -12.911   1.028
  237   2HD   PRO  33          1HD       PRO  33   5.441 -14.683   0.774
  238    H    CYS  34           H        CYS  34   3.992 -11.073  -0.601
  239    HA   CYS  34           HA       CYS  34   2.240  -9.152  -1.506
  240   1HB   CYS  34          2HB       CYS  34   5.094  -9.418  -2.448
  241   2HB   CYS  34          1HB       CYS  34   4.040  -8.000  -2.409
  242    H    ARG  35           HN       ARG  35   4.060 -11.534  -3.504
  243    HA   ARG  35           HA       ARG  35   3.299 -10.391  -6.058
  244   1HB   ARG  35          1HB       ARG  35   4.583 -13.025  -5.211
  245   2HB   ARG  35          2HB       ARG  35   4.263 -12.571  -6.876
  246   1HG   ARG  35          2HG       ARG  35   5.735 -10.673  -6.771
  247   2HG   ARG  35          1HG       ARG  35   5.834 -10.741  -5.008
  248   1HD   ARG  35          1HD       ARG  35   7.868 -11.545  -6.013
  249   2HD   ARG  35          2HD       ARG  35   7.084 -12.837  -5.085
  250    HE   ARG  35           HE       ARG  35   6.208 -13.096  -7.740
  251   1HH1  ARG  35          1HH2      ARG  35   9.291 -13.183  -5.980
  252   2HH1  ARG  35          2HH2      ARG  35  10.021 -14.349  -7.048
  253   1HH2  ARG  35          1HH1      ARG  35   7.178 -14.597  -9.164
  254   2HH2  ARG  35          2HH1      ARG  35   8.810 -15.149  -8.904
  255    H    ILE  36           H        ILE  36   2.193 -13.164  -4.056
  256    HA   ILE  36           HA       ILE  36   0.119 -13.792  -6.064
  257    HB   ILE  36           HB       ILE  36  -0.613 -15.532  -4.482
  258   1HG1  ILE  36          2HG1      ILE  36   1.070 -16.225  -2.728
  259   2HG1  ILE  36          1HG1      ILE  36   1.748 -14.612  -2.761
  260   1HG2  ILE  36          1HG2      ILE  36   1.334 -16.944  -4.912
  261   2HG2  ILE  36          2HG2      ILE  36   2.365 -15.519  -5.142
  262   3HG2  ILE  36          3HG2      ILE  36   1.058 -15.875  -6.291
  263   1HD1  ILE  36          1HD1      ILE  36  -0.556 -13.762  -2.056
  264   2HD1  ILE  36          2HD1      ILE  36  -1.157 -15.425  -2.128
  265   3HD1  ILE  36          3HD1      ILE  36   0.061 -14.974  -0.924
  266    H    ILE  37           H        ILE  37   0.371 -11.561  -3.456
  267    HA   ILE  37           HA       ILE  37  -2.502 -11.117  -3.192
  268    HB   ILE  37           HB       ILE  37   0.035  -9.790  -2.207
  269   1HG1  ILE  37          2HG1      ILE  37  -2.471 -10.720  -0.742
  270   2HG1  ILE  37          1HG1      ILE  37  -1.109 -11.783  -1.100
  271   1HG2  ILE  37          1HG2      ILE  37  -1.274  -7.865  -2.822
  272   2HG2  ILE  37          2HG2      ILE  37  -2.736  -8.553  -2.067
  273   3HG2  ILE  37          3HG2      ILE  37  -1.352  -8.042  -1.082
  274   1HD1  ILE  37          1HD1      ILE  37  -1.021  -9.325   0.686
  275   2HD1  ILE  37          2HD1      ILE  37  -0.851 -11.022   1.146
  276   3HD1  ILE  37          3HD1      ILE  37   0.409 -10.247   0.169
  277    H    ALA  38           H        ALA  38   0.170  -9.598  -5.010
  278    HA   ALA  38           HA       ALA  38  -0.640  -7.481  -6.156
  279   1HB   ALA  38          1HB       ALA  38   0.590  -7.986  -8.161
  280   2HB   ALA  38          2HB       ALA  38   1.412  -8.698  -6.761
  281   3HB   ALA  38          3HB       ALA  38   0.468  -9.715  -7.876
  282    HA   PRO  39           HA       PRO  39  -3.439  -9.342  -9.631
  283   1HB   PRO  39          2HB       PRO  39  -4.627 -11.794  -8.424
  284   2HB   PRO  39          1HB       PRO  39  -3.959 -11.572 -10.061
  285   1HG   PRO  39          1HG       PRO  39  -2.636 -13.060  -8.172
  286   2HG   PRO  39          2HG       PRO  39  -1.737 -11.989  -9.293
  287   1HD   PRO  39          2HD       PRO  39  -2.676 -11.338  -6.485
  288   2HD   PRO  39          1HD       PRO  39  -1.062 -11.197  -7.070
  289    H    VAL  40           H        VAL  40  -4.140 -10.034  -6.256
  290    HA   VAL  40           HA       VAL  40  -6.966  -9.329  -6.317
  291    HB   VAL  40           HB       VAL  40  -5.256 -11.033  -4.841
  292   1HG1  VAL  40          1HG1      VAL  40  -5.507 -10.571  -2.579
  293   2HG1  VAL  40          2HG1      VAL  40  -6.310  -9.015  -2.926
  294   3HG1  VAL  40          3HG1      VAL  40  -4.604  -9.257  -3.307
  295   1HG2  VAL  40          1HG2      VAL  40  -7.345 -11.673  -3.687
  296   2HG2  VAL  40          2HG2      VAL  40  -8.143 -10.211  -4.307
  297   3HG2  VAL  40          3HG2      VAL  40  -7.599 -11.483  -5.428
  298    H    VAL  41           H        VAL  41  -3.923  -7.869  -5.035
  299    HA   VAL  41           HA       VAL  41  -5.245  -5.404  -4.111
  300    HB   VAL  41           HB       VAL  41  -2.780  -6.497  -3.814
  301   1HG1  VAL  41          1HG2      VAL  41  -3.766  -4.524  -2.407
  302   2HG1  VAL  41          2HG2      VAL  41  -2.066  -4.247  -2.831
  303   3HG1  VAL  41          3HG2      VAL  41  -3.341  -3.446  -3.749
  304   1HG2  VAL  41          1HG1      VAL  41  -2.126  -6.035  -6.051
  305   2HG2  VAL  41          2HG1      VAL  41  -1.035  -5.502  -4.783
  306   3HG2  VAL  41          3HG1      VAL  41  -2.037  -4.321  -5.664
  307    H    ASP  42           HN       ASP  42  -3.888  -6.382  -7.237
  308    HA   ASP  42           HA       ASP  42  -4.424  -3.834  -8.469
  309   1HB   ASP  42          1HB       ASP  42  -3.922  -6.624  -9.533
  310   2HB   ASP  42          2HB       ASP  42  -4.549  -5.387 -10.601
  311    H    GLU  43           HN       GLU  43  -6.438  -6.927  -8.614
  312    HA   GLU  43           HA       GLU  43  -8.471  -5.595 -10.062
  313   1HB   GLU  43          1HB       GLU  43  -9.763  -7.412  -9.774
  314   2HB   GLU  43          2HB       GLU  43  -8.175  -8.134  -9.517
  315   1HG   GLU  43          2HG       GLU  43  -8.619  -7.879  -7.006
  316   2HG   GLU  43          1HG       GLU  43 -10.271  -7.380  -7.409
  317    H    ILE  44           H        ILE  44  -7.916  -5.869  -6.551
  318    HA   ILE  44           HA       ILE  44 -10.254  -4.526  -5.651
  319    HB   ILE  44           HB       ILE  44  -7.446  -4.832  -4.553
  320   1HG1  ILE  44          1HG1      ILE  44  -9.199  -6.746  -4.673
  321   2HG1  ILE  44          2HG1      ILE  44  -8.375  -6.439  -3.151
  322   1HG2  ILE  44          1HG2      ILE  44  -9.703  -3.340  -3.185
  323   2HG2  ILE  44          2HG2      ILE  44  -8.111  -2.709  -3.638
  324   3HG2  ILE  44          3HG2      ILE  44  -8.239  -3.945  -2.385
  325   1HD1  ILE  44          1HD1      ILE  44 -10.368  -5.320  -2.254
  326   2HD1  ILE  44          2HD1      ILE  44 -10.778  -6.924  -2.864
  327   3HD1  ILE  44          3HD1      ILE  44 -11.197  -5.491  -3.817
  328    H    ALA  45           H        ALA  45  -7.037  -3.219  -6.660
  329    HA   ALA  45           HA       ALA  45  -7.620  -0.499  -6.310
  330   1HB   ALA  45          1HB       ALA  45  -5.931  -0.057  -7.940
  331   2HB   ALA  45          2HB       ALA  45  -5.440  -1.603  -7.190
  332   3HB   ALA  45          3HB       ALA  45  -6.195  -1.570  -8.780
  333    H    GLY  46           H        GLY  46  -8.323  -2.633  -9.123
  334   1HA   GLY  46          2HA       GLY  46  -9.621  -0.851 -10.836
  335   2HA   GLY  46          1HA       GLY  46 -10.027  -2.568 -10.659
  336    H    GLU  47           HN       GLU  47 -11.160  -2.892  -8.265
  337    HA   GLU  47           HA       GLU  47 -13.768  -1.821  -8.584
  338   1HB   GLU  47          2HB       GLU  47 -12.628  -2.877  -5.975
  339   2HB   GLU  47          1HB       GLU  47 -14.291  -2.889  -6.531
  340   1HG   GLU  47          2HG       GLU  47 -11.965  -4.639  -7.376
  341   2HG   GLU  47          1HG       GLU  47 -13.487  -5.112  -6.690
  342    H    TYR  48           H        TYR  48 -11.325  -0.973  -6.151
  343    HA   TYR  48           HA       TYR  48 -13.059   1.108  -5.005
  344   1HB   TYR  48          1HB       TYR  48 -10.296   0.062  -4.329
  345   2HB   TYR  48          2HB       TYR  48 -11.020   1.432  -3.503
  346    HD1  TYR  48           HD1      TYR  48 -12.777   1.198  -1.879
  347    HD2  TYR  48           HD2      TYR  48 -11.438  -2.219  -4.130
  348    HE1  TYR  48           HE1      TYR  48 -14.097  -0.290  -0.416
  349    HE2  TYR  48           HE2      TYR  48 -12.788  -3.704  -2.695
  350    HH   TYR  48           HH       TYR  48 -14.818  -2.473  -0.024
  351    H    LYS  49           HN       LYS  49 -10.782   1.211  -7.552
  352    HA   LYS  49           HA       LYS  49  -9.207   3.258  -7.488
  353   1HB   LYS  49          2HB       LYS  49  -9.713   1.991  -9.523
  354   2HB   LYS  49          1HB       LYS  49 -11.307   2.751  -9.620
  355   1HG   LYS  49          1HG       LYS  49 -10.286   4.896 -10.193
  356   2HG   LYS  49          2HG       LYS  49  -8.670   4.247  -9.868
  357   1HD   LYS  49          1HD       LYS  49  -9.179   4.377 -12.270
  358   2HD   LYS  49          2HD       LYS  49  -8.842   2.717 -11.774
  359   1HE   LYS  49          2HE       LYS  49 -11.717   3.728 -11.896
  360   2HE   LYS  49          1HE       LYS  49 -10.869   3.267 -13.378
  361   1HZ   LYS  49          1HZ       LYS  49 -10.491   1.112 -12.486
  362   2HZ   LYS  49          2HZ       LYS  49 -11.284   1.467 -11.090
  363   3HZ   LYS  49          3HZ       LYS  49 -12.099   1.457 -12.512
  364    H    ASP  50           HN       ASP  50 -12.577   3.934  -8.392
  365    HA   ASP  50           HA       ASP  50 -12.538   6.695  -8.523
  366   1HB   ASP  50          1HB       ASP  50 -14.724   4.787  -7.566
  367   2HB   ASP  50          2HB       ASP  50 -14.985   6.491  -7.915
  368    H    LYS  51           HN       LYS  51 -12.851   4.701  -5.653
  369    HA   LYS  51           HA       LYS  51 -13.536   6.986  -3.905
  370   1HB   LYS  51          1HB       LYS  51 -13.087   4.217  -2.860
  371   2HB   LYS  51          2HB       LYS  51 -14.251   5.428  -2.354
  372   1HG   LYS  51          2HG       LYS  51 -15.569   4.983  -4.466
  373   2HG   LYS  51          1HG       LYS  51 -14.414   3.691  -4.862
  374   1HD   LYS  51          2HD       LYS  51 -14.948   2.587  -2.662
  375   2HD   LYS  51          1HD       LYS  51 -16.201   3.811  -2.406
  376   1HE   LYS  51          2HE       LYS  51 -17.238   1.811  -3.302
  377   2HE   LYS  51          1HE       LYS  51 -17.309   3.074  -4.542
  378   1HZ   LYS  51          1HZ       LYS  51 -15.422   2.036  -5.603
  379   2HZ   LYS  51          2HZ       LYS  51 -15.331   0.895  -4.419
  380   3HZ   LYS  51          3HZ       LYS  51 -16.638   0.948  -5.417
  381    H    LEU  52           H        LEU  52 -10.919   4.658  -4.462
  382    HA   LEU  52           HA       LEU  52  -9.041   6.059  -2.694
  383   1HB   LEU  52          1HB       LEU  52  -9.808   4.886  -0.880
  384   2HB   LEU  52          2HB       LEU  52 -10.759   3.839  -1.886
  385    HG   LEU  52           HG       LEU  52  -8.770   2.419  -2.356
  386   1HD1  LEU  52          1HD2      LEU  52  -6.901   2.377  -0.985
  387   2HD1  LEU  52          2HD2      LEU  52  -7.033   4.106  -1.349
  388   3HD1  LEU  52          3HD2      LEU  52  -7.568   3.463   0.220
  389   1HD2  LEU  52          1HD1      LEU  52  -9.814   2.774   0.498
  390   2HD2  LEU  52          2HD1      LEU  52  -9.083   1.286  -0.147
  391   3HD2  LEU  52          3HD1      LEU  52 -10.629   1.873  -0.791
  392    H    LYS  53           HN       LYS  53  -6.924   5.382  -3.078
  393    HA   LYS  53           HA       LYS  53  -6.478   4.135  -5.738
  394   1HB   LYS  53          1HB       LYS  53  -5.619   6.487  -4.606
  395   2HB   LYS  53          2HB       LYS  53  -4.281   5.439  -4.185
  396   1HG   LYS  53          2HG       LYS  53  -5.383   6.092  -6.965
  397   2HG   LYS  53          1HG       LYS  53  -3.910   6.715  -6.221
  398   1HD   LYS  53          1HD       LYS  53  -3.103   4.245  -6.137
  399   2HD   LYS  53          2HD       LYS  53  -4.460   3.914  -7.246
  400   1HE   LYS  53          1HE       LYS  53  -2.526   4.185  -8.584
  401   2HE   LYS  53          2HE       LYS  53  -3.529   5.624  -8.824
  402   1HZ   LYS  53          1HZ       LYS  53  -2.090   6.779  -7.286
  403   2HZ   LYS  53          2HZ       LYS  53  -1.214   6.148  -8.528
  404   3HZ   LYS  53          3HZ       LYS  53  -1.186   5.421  -7.050
  405    H    CYS  54           H        CYS  54  -4.723   2.507  -5.957
  406    HA   CYS  54           HA       CYS  54  -3.908   1.124  -3.435
  407   1HB   CYS  54          2HB       CYS  54  -5.427   0.090  -5.753
  408   2HB   CYS  54          1HB       CYS  54  -3.892  -0.739  -5.457
  409    HG   CYS  54           HG       CYS  54  -5.616  -2.222  -4.480
  410    H    VAL  55           H        VAL  55  -1.736   0.326  -3.536
  411    HA   VAL  55           HA       VAL  55  -0.212   0.740  -5.967
  412    HB   VAL  55           HB       VAL  55   1.245   2.339  -4.086
  413   1HG1  VAL  55          1HG1      VAL  55  -1.514   3.548  -4.424
  414   2HG1  VAL  55          2HG1      VAL  55  -0.902   2.827  -2.914
  415   3HG1  VAL  55          3HG1      VAL  55  -0.090   4.229  -3.635
  416   1HG2  VAL  55          1HG2      VAL  55   1.418   2.542  -6.475
  417   2HG2  VAL  55          2HG2      VAL  55   0.940   4.104  -5.802
  418   3HG2  VAL  55          3HG2      VAL  55  -0.267   3.090  -6.612
  419    H    LYS  56           HN       LYS  56   2.081   0.285  -5.682
  420    HA   LYS  56           HA       LYS  56   2.674  -1.531  -3.388
  421   1HB   LYS  56          2HB       LYS  56   2.518  -1.912  -6.324
  422   2HB   LYS  56          1HB       LYS  56   3.922  -2.642  -5.558
  423   1HG   LYS  56          1HG       LYS  56   2.552  -3.867  -3.980
  424   2HG   LYS  56          2HG       LYS  56   1.075  -3.078  -4.561
  425   1HD   LYS  56          1HD       LYS  56   2.877  -4.863  -6.270
  426   2HD   LYS  56          2HD       LYS  56   1.441  -5.416  -5.394
  427   1HE   LYS  56          2HE       LYS  56   0.082  -3.684  -6.663
  428   2HE   LYS  56          1HE       LYS  56   1.502  -3.384  -7.678
  429   1HZ   LYS  56          1HZ       LYS  56   1.456  -5.667  -8.327
  430   2HZ   LYS  56          2HZ       LYS  56  -0.022  -4.993  -8.626
  431   3HZ   LYS  56          3HZ       LYS  56   0.180  -5.974  -7.332
  432    H    LEU  57           H        LEU  57   4.376  -0.824  -2.278
  433    HA   LEU  57           HA       LEU  57   6.460   0.877  -3.595
  434   1HB   LEU  57          1HB       LEU  57   5.445   1.827  -1.645
  435   2HB   LEU  57          2HB       LEU  57   5.788   0.401  -0.668
  436    HG   LEU  57           HG       LEU  57   8.084   1.889  -1.961
  437   1HD1  LEU  57          1HD2      LEU  57   9.029   1.278   0.413
  438   2HD1  LEU  57          2HD2      LEU  57   8.785  -0.052  -0.728
  439   3HD1  LEU  57          3HD2      LEU  57   7.618   0.240   0.559
  440   1HD2  LEU  57          1HD1      LEU  57   6.693   3.658  -0.960
  441   2HD2  LEU  57          2HD1      LEU  57   6.647   2.766   0.576
  442   3HD2  LEU  57          3HD1      LEU  57   8.182   3.416  -0.044
  443    H    ASN  58           H        ASN  58   8.215  -0.146  -4.336
  444    HA   ASN  58           HA       ASN  58   8.853  -2.874  -3.423
  445   1HB   ASN  58          1HB       ASN  58   9.200  -2.237  -5.763
  446   2HB   ASN  58          2HB       ASN  58  10.390  -1.038  -5.275
  447   1HD2  ASN  58          2HD2      ASN  58  10.175  -4.116  -6.496
  448   2HD2  ASN  58          1HD2      ASN  58  11.676  -4.761  -5.857
  449    H    THR  59           H        THR  59   9.783  -3.191  -1.565
  450    HA   THR  59           HA       THR  59  10.778  -1.084   0.116
  451    HB   THR  59           HB       THR  59  11.005  -4.103   0.474
  452    HG1  THR  59           HG1      THR  59   8.872  -3.639   0.025
  453   1HG2  THR  59          1HG2      THR  59  10.603  -1.880   2.514
  454   2HG2  THR  59          2HG2      THR  59  12.165  -2.685   2.210
  455   3HG2  THR  59          3HG2      THR  59  10.793  -3.610   2.849
  456    H    ASP  60           HN       ASP  60  12.328  -3.229  -2.160
  457    HA   ASP  60           HA       ASP  60  14.992  -3.157  -0.950
  458   1HB   ASP  60          1HB       ASP  60  13.778  -5.024  -2.356
  459   2HB   ASP  60          2HB       ASP  60  14.260  -4.076  -3.753
  460    H    GLU  61           HN       GLU  61  13.148  -1.777  -3.581
  461    HA   GLU  61           HA       GLU  61  15.242  -0.068  -4.658
  462   1HB   GLU  61          2HB       GLU  61  13.217  -1.141  -5.882
  463   2HB   GLU  61          1HB       GLU  61  12.244   0.109  -5.077
  464   1HG   GLU  61          1HG       GLU  61  12.704   0.893  -7.244
  465   2HG   GLU  61          2HG       GLU  61  13.730   1.854  -6.185
  466    H    SER  62           H        SER  62  12.723   0.178  -2.235
  467    HA   SER  62           HA       SER  62  13.160   3.075  -1.824
  468   1HB   SER  62          1HB       SER  62  10.741   1.459  -0.972
  469   2HB   SER  62          2HB       SER  62  10.960   3.209  -1.098
  470    HG   SER  62           HG       SER  62  10.766   1.223  -3.104
  471    HA   PRO  63           HA       PRO  63  14.613   0.410   1.893
  472   1HB   PRO  63          1HB       PRO  63  17.227   1.145   1.952
  473   2HB   PRO  63          2HB       PRO  63  16.628  -0.136   0.853
  474   1HG   PRO  63          2HG       PRO  63  17.019   2.811   0.180
  475   2HG   PRO  63          1HG       PRO  63  17.658   1.420  -0.702
  476   1HD   PRO  63          1HD       PRO  63  15.367   2.514  -1.515
  477   2HD   PRO  63          2HD       PRO  63  15.453   0.730  -1.413
  478    H    ASN  64           H        ASN  64  15.147   3.661   0.705
  479    HA   ASN  64           HA       ASN  64  15.784   4.981   3.184
  480   1HB   ASN  64          1HB       ASN  64  14.280   6.177   0.831
  481   2HB   ASN  64          2HB       ASN  64  15.024   7.053   2.162
  482   1HD2  ASN  64          2HD2      ASN  64  15.606   5.599  -0.951
  483   2HD2  ASN  64          1HD2      ASN  64  17.350   5.845  -0.933
  484    H    VAL  65           H        VAL  65  12.575   4.970   1.570
  485    HA   VAL  65           HA       VAL  65  11.152   5.863   3.848
  486    HB   VAL  65           HB       VAL  65  10.405   4.312   1.343
  487   1HG1  VAL  65          1HG2      VAL  65   8.720   3.689   2.984
  488   2HG1  VAL  65          2HG2      VAL  65   8.036   4.883   1.873
  489   3HG1  VAL  65          3HG2      VAL  65   8.556   5.388   3.495
  490   1HG2  VAL  65          1HG1      VAL  65   9.534   6.514   0.686
  491   2HG2  VAL  65          2HG1      VAL  65   9.895   7.172   2.301
  492   3HG2  VAL  65          3HG1      VAL  65  11.212   6.721   1.221
  493    H    ALA  66           H        ALA  66  11.816   2.571   2.699
  494    HA   ALA  66           HA       ALA  66  10.467   1.115   4.643
  495   1HB   ALA  66          1HB       ALA  66  11.730   0.170   2.681
  496   2HB   ALA  66          2HB       ALA  66  12.065  -0.693   4.193
  497   3HB   ALA  66          3HB       ALA  66  13.238   0.458   3.576
  498    H    SER  67           H        SER  67  13.776   2.519   4.920
  499    HA   SER  67           HA       SER  67  14.246   1.541   7.583
  500   1HB   SER  67          2HB       SER  67  15.529   3.874   6.087
  501   2HB   SER  67          1HB       SER  67  16.130   3.121   7.577
  502    HG   SER  67           HG       SER  67  15.824   1.897   5.034
  503    H    GLU  68           HN       GLU  68  13.067   4.634   6.268
  504    HA   GLU  68           HA       GLU  68  12.924   6.116   8.674
  505   1HB   GLU  68          1HB       GLU  68  11.121   6.159   6.221
  506   2HB   GLU  68          2HB       GLU  68  11.039   7.351   7.514
  507   1HG   GLU  68          1HG       GLU  68  13.181   8.230   7.051
  508   2HG   GLU  68          2HG       GLU  68  13.676   6.835   6.096
  509    H    TYR  69           H        TYR  69  10.474   3.909   7.227
  510    HA   TYR  69           HA       TYR  69   8.707   4.209   9.553
  511   1HB   TYR  69          2HB       TYR  69   8.702   2.538   7.027
  512   2HB   TYR  69          1HB       TYR  69   7.598   2.181   8.342
  513    HD1  TYR  69           HD1      TYR  69   6.152   4.129   9.292
  514    HD2  TYR  69           HD2      TYR  69   8.082   4.230   5.447
  515    HE1  TYR  69           HE1      TYR  69   4.741   6.057   8.640
  516    HE2  TYR  69           HE2      TYR  69   6.672   6.177   4.796
  517    HH   TYR  69           HH       TYR  69   4.352   7.676   7.051
  518    H    GLY  70           H        GLY  70  11.135   1.832   8.524
  519   1HA   GLY  70          1HA       GLY  70  12.375   0.518  10.057
  520   2HA   GLY  70          2HA       GLY  70  11.097   0.658  11.271
  521    H    ILE  71           H        ILE  71  11.165  -0.278   7.820
  522    HA   ILE  71           HA       ILE  71   9.319  -2.487   8.231
  523    HB   ILE  71           HB       ILE  71  10.881  -1.593   5.800
  524   1HG1  ILE  71          1HG1      ILE  71   9.352   0.180   6.688
  525   2HG1  ILE  71          2HG1      ILE  71   8.918  -0.431   5.110
  526   1HG2  ILE  71          1HG2      ILE  71  10.136  -3.876   5.483
  527   2HG2  ILE  71          2HG2      ILE  71   9.048  -2.822   4.571
  528   3HG2  ILE  71          3HG2      ILE  71   8.528  -3.505   6.126
  529   1HD1  ILE  71          1HD1      ILE  71   7.072  -1.737   6.066
  530   2HD1  ILE  71          2HD1      ILE  71   6.988  -0.039   6.540
  531   3HD1  ILE  71          3HD1      ILE  71   7.550  -1.230   7.711
  532    H    ARG  72           HN       ARG  72  10.295  -3.899   9.600
  533    HA   ARG  72           HA       ARG  72  12.911  -5.076   9.100
  534   1HB   ARG  72          1HB       ARG  72  12.362  -6.522  10.933
  535   2HB   ARG  72          2HB       ARG  72  11.911  -4.883  11.389
  536   1HG   ARG  72          1HG       ARG  72   9.898  -6.984  10.368
  537   2HG   ARG  72          2HG       ARG  72  10.307  -6.838  11.996
  538   1HD   ARG  72          1HD       ARG  72   8.490  -5.469  12.035
  539   2HD   ARG  72          2HD       ARG  72   9.640  -4.222  11.556
  540    HE   ARG  72           HE       ARG  72   8.272  -5.868   9.470
  541   1HH1  ARG  72          2HH1      ARG  72   8.429  -2.645  10.986
  542   2HH1  ARG  72          1HH1      ARG  72   7.039  -2.073  10.118
  543   1HH2  ARG  72          2HH2      ARG  72   6.873  -4.922   8.014
  544   2HH2  ARG  72          1HH2      ARG  72   6.120  -3.411   8.370
  545    H    SER  73           H        SER  73   9.608  -5.676   8.085
  546    HA   SER  73           HA       SER  73  10.273  -8.037   6.532
  547   1HB   SER  73          2HB       SER  73   8.347  -8.211   8.898
  548   2HB   SER  73          1HB       SER  73   8.732  -9.517   7.816
  549    HG   SER  73           HG       SER  73  11.054  -8.810   8.653
  550    H    ILE  74           H        ILE  74   8.266  -8.728   5.363
  551    HA   ILE  74           HA       ILE  74   6.162  -6.723   5.073
  552    HB   ILE  74           HB       ILE  74   6.643  -6.694   2.544
  553   1HG1  ILE  74          1HG1      ILE  74   9.394  -7.663   3.349
  554   2HG1  ILE  74          2HG1      ILE  74   8.169  -8.649   2.527
  555   1HG2  ILE  74          1HG2      ILE  74   8.123  -4.831   2.706
  556   2HG2  ILE  74          2HG2      ILE  74   7.160  -4.822   4.183
  557   3HG2  ILE  74          3HG2      ILE  74   8.830  -5.436   4.214
  558   1HD1  ILE  74          1HD1      ILE  74   9.568  -7.787   0.820
  559   2HD1  ILE  74          2HD1      ILE  74   9.503  -6.135   1.454
  560   3HD1  ILE  74          3HD1      ILE  74   8.060  -6.881   0.731
  561    HA   PRO  75           HA       PRO  75   4.523  -6.896   2.680
  562   1HB   PRO  75          2HB       PRO  75   1.848  -7.354   2.942
  563   2HB   PRO  75          1HB       PRO  75   2.861  -8.121   1.698
  564   1HG   PRO  75          1HG       PRO  75   2.079  -9.234   4.390
  565   2HG   PRO  75          2HG       PRO  75   1.926 -10.043   2.797
  566   1HD   PRO  75          1HD       PRO  75   4.044 -10.539   4.431
  567   2HD   PRO  75          2HD       PRO  75   4.302 -10.368   2.675
  568    H    THR  76           H        THR  76   3.512  -5.067   3.300
  569    HA   THR  76           HA       THR  76   2.372  -4.673   5.934
  570    HB   THR  76           HB       THR  76   5.037  -3.426   5.177
  571    HG1  THR  76           HG1      THR  76   4.511  -5.490   6.516
  572   1HG2  THR  76          1HG2      THR  76   3.631  -1.580   5.953
  573   2HG2  THR  76          2HG2      THR  76   4.725  -2.045   7.261
  574   3HG2  THR  76          3HG2      THR  76   3.025  -2.558   7.304
  575    H    ILE  77           H        ILE  77   0.551  -3.938   5.178
  576    HA   ILE  77           HA       ILE  77   0.454  -2.209   2.768
  577    HB   ILE  77           HB       ILE  77  -1.574  -3.799   4.357
  578   1HG1  ILE  77          1HG1      ILE  77  -0.844  -3.807   1.392
  579   2HG1  ILE  77          2HG1      ILE  77  -0.021  -4.826   2.581
  580   1HG2  ILE  77          1HG2      ILE  77  -2.705  -1.711   3.854
  581   2HG2  ILE  77          2HG2      ILE  77  -2.026  -1.692   2.216
  582   3HG2  ILE  77          3HG2      ILE  77  -3.257  -2.894   2.676
  583   1HD1  ILE  77          1HD1      ILE  77  -1.700  -6.145   1.507
  584   2HD1  ILE  77          2HD1      ILE  77  -2.966  -4.965   1.877
  585   3HD1  ILE  77          3HD1      ILE  77  -2.174  -5.868   3.195
  586    H    MET  78           H        MET  78   0.534  -0.039   3.107
  587    HA   MET  78           HA       MET  78  -0.271   1.036   5.788
  588   1HB   MET  78          1HB       MET  78   1.432   2.193   3.581
  589   2HB   MET  78          2HB       MET  78   0.901   3.066   5.037
  590   1HG   MET  78          1HG       MET  78   2.012   1.230   6.402
  591   2HG   MET  78          2HG       MET  78   2.699   0.649   4.894
  592   1HE   MET  78          1HE       MET  78   4.517   1.224   7.420
  593   2HE   MET  78          2HE       MET  78   4.927   0.652   5.782
  594   3HE   MET  78          3HE       MET  78   5.829   2.001   6.498
  595    H    VAL  79           H        VAL  79  -2.016   2.234   5.915
  596    HA   VAL  79           HA       VAL  79  -3.540   2.886   3.431
  597    HB   VAL  79           HB       VAL  79  -4.367   3.047   6.366
  598   1HG1  VAL  79          1HG1      VAL  79  -5.070   1.079   4.156
  599   2HG1  VAL  79          2HG1      VAL  79  -5.894   1.172   5.732
  600   3HG1  VAL  79          3HG1      VAL  79  -4.184   0.718   5.652
  601   1HG2  VAL  79          1HG2      VAL  79  -5.924   3.522   3.777
  602   2HG2  VAL  79          2HG2      VAL  79  -5.478   4.770   4.948
  603   3HG2  VAL  79          3HG2      VAL  79  -6.619   3.508   5.413
  604    H    PHE  80           H        PHE  80  -3.030   4.825   2.626
  605    HA   PHE  80           HA       PHE  80  -2.224   7.070   4.434
  606   1HB   PHE  80          1HB       PHE  80  -1.326   6.230   1.676
  607   2HB   PHE  80          2HB       PHE  80  -1.148   7.895   2.211
  608    HD1  PHE  80           HD1      PHE  80   0.446   8.542   3.937
  609    HD2  PHE  80           HD2      PHE  80   0.154   4.477   2.528
  610    HE1  PHE  80           HE1      PHE  80   2.703   8.066   4.843
  611    HE2  PHE  80           HE2      PHE  80   2.511   4.091   3.242
  612    HZ   PHE  80           HZ       PHE  80   3.686   5.785   4.590
  613    H    LYS  81           HN       LYS  81  -2.750   9.179   3.488
  614    HA   LYS  81           HA       LYS  81  -4.688   9.465   1.434
  615   1HB   LYS  81          1HB       LYS  81  -6.612  10.112   2.623
  616   2HB   LYS  81          2HB       LYS  81  -6.123   8.631   3.419
  617   1HG   LYS  81          1HG       LYS  81  -5.967  11.470   4.468
  618   2HG   LYS  81          2HG       LYS  81  -6.824  10.077   5.114
  619   1HD   LYS  81          2HD       LYS  81  -4.707   8.981   5.686
  620   2HD   LYS  81          1HD       LYS  81  -3.797  10.383   5.079
  621   1HE   LYS  81          1HE       LYS  81  -5.769  10.464   7.385
  622   2HE   LYS  81          2HE       LYS  81  -4.005  10.423   7.522
  623   1HZ   LYS  81          1HZ       LYS  81  -4.755  12.641   7.685
  624   2HZ   LYS  81          2HZ       LYS  81  -3.953  12.495   6.249
  625   3HZ   LYS  81          3HZ       LYS  81  -5.598  12.548   6.275
  626    H    GLY  82           H        GLY  82  -5.539  12.024   2.294
  627   1HA   GLY  82          2HA       GLY  82  -3.849  13.896   1.547
  628   2HA   GLY  82          1HA       GLY  82  -4.888  14.098   2.970
  629    H    GLY  83           H        GLY  83  -1.589  13.672   1.881
  630   1HA   GLY  83          2HA       GLY  83   0.297  14.479   2.838
  631   2HA   GLY  83          1HA       GLY  83  -0.607  14.992   4.255
  632    H    LYS  84           HN       LYS  84  -1.497  12.907   5.475
  633    HA   LYS  84           HA       LYS  84   1.025  11.483   6.275
  634   1HB   LYS  84          2HB       LYS  84  -1.477  12.097   7.891
  635   2HB   LYS  84          1HB       LYS  84   0.036  11.439   8.519
  636   1HG   LYS  84          2HG       LYS  84  -0.362  14.230   7.359
  637   2HG   LYS  84          1HG       LYS  84  -0.155  13.787   9.055
  638   1HD   LYS  84          2HD       LYS  84   2.127  12.866   8.506
  639   2HD   LYS  84          1HD       LYS  84   1.933  13.469   6.846
  640   1HE   LYS  84          1HE       LYS  84   1.646  15.779   7.712
  641   2HE   LYS  84          2HE       LYS  84   1.873  15.184   9.369
  642   1HZ   LYS  84          1HZ       LYS  84   3.880  16.070   8.460
  643   2HZ   LYS  84          2HZ       LYS  84   3.845  15.008   7.201
  644   3HZ   LYS  84          3HZ       LYS  84   4.057  14.456   8.740
  645    H    LYS  85           HN       LYS  85   0.490   9.558   7.734
  646    HA   LYS  85           HA       LYS  85  -0.879   7.543   6.081
  647   1HB   LYS  85          2HB       LYS  85   1.484   7.273   7.060
  648   2HB   LYS  85          1HB       LYS  85   0.695   7.136   8.639
  649   1HG   LYS  85          1HG       LYS  85  -0.582   5.136   7.784
  650   2HG   LYS  85          2HG       LYS  85   0.138   5.389   6.187
  651   1HD   LYS  85          2HD       LYS  85   1.292   3.604   7.266
  652   2HD   LYS  85          1HD       LYS  85   2.397   4.983   7.174
  653   1HE   LYS  85          1HE       LYS  85   1.901   5.491   9.576
  654   2HE   LYS  85          2HE       LYS  85   0.767   4.130   9.625
  655   1HZ   LYS  85          1HZ       LYS  85   2.907   3.551  10.496
  656   2HZ   LYS  85          2HZ       LYS  85   2.592   2.673   9.136
  657   3HZ   LYS  85          3HZ       LYS  85   3.645   3.937   9.074
  658    H    CYS  86           H        CYS  86  -2.424   6.133   7.103
  659    HA   CYS  86           HA       CYS  86  -4.055   7.405   9.262
  660   1HB   CYS  86          2HB       CYS  86  -5.188   6.997   7.102
  661   2HB   CYS  86          1HB       CYS  86  -4.782   5.287   7.183
  662    HG   CYS  86           HG       CYS  86  -6.985   7.051   8.671
  663    H    GLU  87           HN       GLU  87  -3.348   4.117   8.054
  664    HA   GLU  87           HA       GLU  87  -2.522   3.111  10.684
  665   1HB   GLU  87          1HB       GLU  87  -4.977   2.117   9.154
  666   2HB   GLU  87          2HB       GLU  87  -4.248   1.224  10.487
  667   1HG   GLU  87          1HG       GLU  87  -5.381   4.036  10.868
  668   2HG   GLU  87          2HG       GLU  87  -6.331   2.606  10.969
  669    H    THR  88           H        THR  88  -2.110   0.530  10.275
  670    HA   THR  88           HA       THR  88  -1.462  -0.058   7.536
  671    HB   THR  88           HB       THR  88   0.530   1.234   8.184
  672    HG1  THR  88           HG1      THR  88   0.630  -0.813   6.934
  673   1HG2  THR  88          1HG2      THR  88   0.508   0.872  10.641
  674   2HG2  THR  88          2HG2      THR  88   0.943  -0.834  10.396
  675   3HG2  THR  88          3HG2      THR  88   2.073   0.445   9.928
  676    H    ILE  89           H        ILE  89  -1.100  -2.240   7.179
  677    HA   ILE  89           HA       ILE  89  -1.791  -4.114   9.378
  678    HB   ILE  89           HB       ILE  89  -2.493  -4.332   6.421
  679   1HG1  ILE  89          1HG1      ILE  89  -4.133  -3.279   8.756
  680   2HG1  ILE  89          2HG1      ILE  89  -3.567  -2.367   7.365
  681   1HG2  ILE  89          1HG2      ILE  89  -3.550  -5.798   8.884
  682   2HG2  ILE  89          2HG2      ILE  89  -2.348  -6.459   7.756
  683   3HG2  ILE  89          3HG2      ILE  89  -3.980  -6.110   7.188
  684   1HD1  ILE  89          1HD1      ILE  89  -4.894  -3.827   5.845
  685   2HD1  ILE  89          2HD1      ILE  89  -5.648  -4.559   7.287
  686   3HD1  ILE  89          3HD1      ILE  89  -5.848  -2.827   6.947
  687    H    ILE  90           H        ILE  90   0.058  -4.989   9.861
  688    HA   ILE  90           HA       ILE  90   2.180  -5.641   7.882
  689    HB   ILE  90           HB       ILE  90   2.088  -5.864  10.919
  690   1HG1  ILE  90          2HG1      ILE  90   3.581  -3.891   9.129
  691   2HG1  ILE  90          1HG1      ILE  90   2.086  -3.514   9.995
  692   1HG2  ILE  90          1HG2      ILE  90   3.629  -7.542   9.921
  693   2HG2  ILE  90          2HG2      ILE  90   4.536  -6.287  10.739
  694   3HG2  ILE  90          3HG2      ILE  90   4.412  -6.264   8.970
  695   1HD1  ILE  90          1HD1      ILE  90   3.879  -2.630  11.272
  696   2HD1  ILE  90          2HD1      ILE  90   4.781  -4.148  11.241
  697   3HD1  ILE  90          3HD1      ILE  90   3.256  -4.037  12.156
  698    H    GLY  91           H        GLY  91   2.556  -7.733   7.189
  699   1HA   GLY  91          2HA       GLY  91   2.622 -10.064   7.518
  700   2HA   GLY  91          1HA       GLY  91   1.286 -10.004   8.670
  701    H    ALA  92           H        ALA  92   1.578 -11.726   6.377
  702    HA   ALA  92           HA       ALA  92  -0.055 -10.778   4.174
  703   1HB   ALA  92          1HB       ALA  92   0.277 -13.069   3.342
  704   2HB   ALA  92          2HB       ALA  92   1.815 -12.358   3.879
  705   3HB   ALA  92          3HB       ALA  92   0.984 -13.553   4.897
  706    H    VAL  93           H        VAL  93  -1.815 -10.178   5.922
  707    HA   VAL  93           HA       VAL  93  -3.565 -12.444   6.612
  708    HB   VAL  93           HB       VAL  93  -5.102 -10.802   7.464
  709   1HG1  VAL  93          1HG2      VAL  93  -4.631  -8.403   7.450
  710   2HG1  VAL  93          2HG2      VAL  93  -3.229  -8.650   6.388
  711   3HG1  VAL  93          3HG2      VAL  93  -4.871  -9.018   5.811
  712   1HG2  VAL  93          1HG1      VAL  93  -3.162 -11.502   8.855
  713   2HG2  VAL  93          2HG1      VAL  93  -3.726  -9.867   9.240
  714   3HG2  VAL  93          3HG1      VAL  93  -2.251 -10.088   8.283
  715    HA   PRO  94           HA       PRO  94  -5.569 -12.642   2.683
  716   1HB   PRO  94          1HB       PRO  94  -8.230 -12.667   4.074
  717   2HB   PRO  94          2HB       PRO  94  -7.621 -13.790   2.833
  718   1HG   PRO  94          1HG       PRO  94  -7.652 -14.541   5.456
  719   2HG   PRO  94          2HG       PRO  94  -6.267 -14.947   4.402
  720   1HD   PRO  94          1HD       PRO  94  -6.449 -12.752   6.463
  721   2HD   PRO  94          2HD       PRO  94  -5.103 -13.852   6.060
  722    H    LYS  95           HN       LYS  95  -6.646 -11.355   1.162
  723    HA   LYS  95           HA       LYS  95  -6.610  -8.595   1.501
  724   1HB   LYS  95          2HB       LYS  95  -6.556  -9.680  -0.679
  725   2HB   LYS  95          1HB       LYS  95  -8.196 -10.277  -0.476
  726   1HG   LYS  95          1HG       LYS  95  -8.154  -8.317  -1.954
  727   2HG   LYS  95          2HG       LYS  95  -9.145  -8.081  -0.544
  728   1HD   LYS  95          1HD       LYS  95  -8.052  -6.045  -0.912
  729   2HD   LYS  95          2HD       LYS  95  -7.316  -6.696   0.525
  730   1HE   LYS  95          1HE       LYS  95  -6.095  -6.817  -2.283
  731   2HE   LYS  95          2HE       LYS  95  -5.763  -5.572  -1.077
  732   1HZ   LYS  95          1HZ       LYS  95  -5.123  -8.411  -0.801
  733   2HZ   LYS  95          2HZ       LYS  95  -4.942  -7.281   0.385
  734   3HZ   LYS  95          3HZ       LYS  95  -4.076  -7.163  -1.009
  735    H    ALA  96           H        ALA  96  -9.392 -10.786   1.615
  736    HA   ALA  96           HA       ALA  96 -11.516  -9.072   2.076
  737   1HB   ALA  96          1HB       ALA  96 -10.959 -11.677   3.572
  738   2HB   ALA  96          2HB       ALA  96 -11.733 -11.530   1.977
  739   3HB   ALA  96          3HB       ALA  96 -12.540 -10.882   3.418
  740    H    THR  97           H        THR  97  -9.096 -10.097   4.539
  741    HA   THR  97           HA       THR  97 -10.289  -8.803   6.771
  742    HB   THR  97           HB       THR  97  -7.291  -9.084   6.583
  743    HG1  THR  97           HG1      THR  97  -7.647 -10.868   5.531
  744   1HG2  THR  97          1HG2      THR  97  -7.584 -10.148   8.762
  745   2HG2  THR  97          2HG2      THR  97  -9.349 -10.128   8.576
  746   3HG2  THR  97          3HG2      THR  97  -8.450  -8.597   8.734
  747    H    ILE  98           H        ILE  98  -7.730  -7.887   4.457
  748    HA   ILE  98           HA       ILE  98  -7.098  -5.328   5.534
  749    HB   ILE  98           HB       ILE  98  -6.777  -6.622   2.811
  750   1HG1  ILE  98          1HG1      ILE  98  -4.472  -5.641   4.427
  751   2HG1  ILE  98          2HG1      ILE  98  -5.401  -6.938   5.172
  752   1HG2  ILE  98          1HG2      ILE  98  -5.299  -4.723   2.191
  753   2HG2  ILE  98          2HG2      ILE  98  -6.994  -4.253   2.286
  754   3HG2  ILE  98          3HG2      ILE  98  -5.884  -3.823   3.605
  755   1HD1  ILE  98          1HD1      ILE  98  -3.530  -7.800   3.800
  756   2HD1  ILE  98          2HD1      ILE  98  -4.261  -7.068   2.355
  757   3HD1  ILE  98          3HD1      ILE  98  -5.103  -8.366   3.225
  758    H    VAL  99           H        VAL  99  -9.398  -6.201   2.873
  759    HA   VAL  99           HA       VAL  99 -10.292  -3.623   2.272
  760    HB   VAL  99           HB       VAL  99 -11.763  -6.298   2.296
  761   1HG1  VAL  99          1HG1      VAL  99 -13.512  -4.616   2.369
  762   2HG1  VAL  99          2HG1      VAL  99 -13.364  -5.172   0.702
  763   3HG1  VAL  99          3HG1      VAL  99 -12.657  -3.612   1.175
  764   1HG2  VAL  99          1HG2      VAL  99 -10.580  -4.617   0.042
  765   2HG2  VAL  99          2HG2      VAL  99 -11.357  -6.209  -0.122
  766   3HG2  VAL  99          3HG2      VAL  99  -9.819  -6.058   0.738
  767    H    GLN 100           H        GLN 100 -11.779  -5.872   4.673
  768    HA   GLN 100           HA       GLN 100 -13.708  -4.044   5.665
  769   1HB   GLN 100          2HB       GLN 100 -12.231  -6.371   6.960
  770   2HB   GLN 100          1HB       GLN 100 -13.562  -5.512   7.753
  771   1HG   GLN 100          1HG       GLN 100 -15.133  -6.121   6.063
  772   2HG   GLN 100          2HG       GLN 100 -13.880  -6.739   4.980
  773   1HE2  GLN 100          1HE2      GLN 100 -12.601  -8.608   5.710
  774   2HE2  GLN 100          2HE2      GLN 100 -13.396  -9.819   6.727
  775    H    THR 101           H        THR 101 -10.379  -4.712   6.816
  776    HA   THR 101           HA       THR 101 -10.392  -2.888   8.982
  777    HB   THR 101           HB       THR 101  -8.051  -3.754   7.234
  778    HG1  THR 101           HG1      THR 101  -9.124  -5.525   8.088
  779   1HG2  THR 101          1HG2      THR 101  -8.198  -2.679  10.087
  780   2HG2  THR 101          2HG2      THR 101  -6.757  -3.421   9.367
  781   3HG2  THR 101          3HG2      THR 101  -7.397  -1.911   8.692
  782    H    VAL 102           H        VAL 102  -9.484  -2.309   5.519
  783    HA   VAL 102           HA       VAL 102  -8.663   0.407   5.912
  784    HB   VAL 102           HB       VAL 102  -9.839  -1.026   3.549
  785   1HG1  VAL 102          1HG1      VAL 102  -7.662  -1.406   2.724
  786   2HG1  VAL 102          2HG1      VAL 102  -7.505  -1.782   4.447
  787   3HG1  VAL 102          3HG1      VAL 102  -6.935  -0.230   3.834
  788   1HG2  VAL 102          1HG2      VAL 102 -10.146   1.348   3.110
  789   2HG2  VAL 102          2HG2      VAL 102  -8.771   0.790   2.153
  790   3HG2  VAL 102          3HG2      VAL 102  -8.489   1.701   3.648
  791    H    GLU 103           HN       GLU 103 -11.749  -1.044   4.853
  792    HA   GLU 103           HA       GLU 103 -13.243   1.310   4.485
  793   1HB   GLU 103          1HB       GLU 103 -14.000  -1.532   5.282
  794   2HB   GLU 103          2HB       GLU 103 -15.204  -0.280   4.965
  795   1HG   GLU 103          1HG       GLU 103 -14.357   0.087   2.720
  796   2HG   GLU 103          2HG       GLU 103 -13.052  -1.077   2.946
  797    H    LYS 104           HN       LYS 104 -12.720  -0.569   7.440
  798    HA   LYS 104           HA       LYS 104 -14.425   0.811   9.210
  799   1HB   LYS 104          2HB       LYS 104 -13.030  -1.197   9.749
  800   2HB   LYS 104          1HB       LYS 104 -11.592  -0.168   9.690
  801   1HG   LYS 104          1HG       LYS 104 -12.550   1.195  11.591
  802   2HG   LYS 104          2HG       LYS 104 -13.793  -0.069  11.745
  803   1HD   LYS 104          2HD       LYS 104 -11.863  -1.750  11.867
  804   2HD   LYS 104          1HD       LYS 104 -10.748  -0.381  11.896
  805   1HE   LYS 104          2HE       LYS 104 -12.930  -0.956  13.966
  806   2HE   LYS 104          1HE       LYS 104 -11.196  -1.253  14.176
  807   1HZ   LYS 104          1HZ       LYS 104 -11.851   0.789  15.183
  808   2HZ   LYS 104          2HZ       LYS 104 -12.438   1.374  13.760
  809   3HZ   LYS 104          3HZ       LYS 104 -10.823   1.092  13.931
  810    H    TYR 105           H        TYR 105 -11.348   1.839   7.781
  811    HA   TYR 105           HA       TYR 105 -11.196   4.270   9.493
  812   1HB   TYR 105          2HB       TYR 105  -9.189   2.834   7.741
  813   2HB   TYR 105          1HB       TYR 105  -8.832   4.226   8.773
  814    HD1  TYR 105           HD1      TYR 105  -7.954   1.023   8.464
  815    HD2  TYR 105           HD2      TYR 105 -10.122   3.435  11.299
  816    HE1  TYR 105           HE1      TYR 105  -7.056  -0.345  10.336
  817    HE2  TYR 105           HE2      TYR 105  -9.120   2.135  13.170
  818    HH   TYR 105           HH       TYR 105  -6.920   0.839  13.408
  819    H    LEU 106           H        LEU 106 -10.123   3.503   6.211
  820    HA   LEU 106           HA       LEU 106  -9.926   4.594   4.282
  821   1HB   LEU 106          2HB       LEU 106 -12.436   6.070   5.171
  822   2HB   LEU 106          1HB       LEU 106 -11.771   6.057   3.546
  823    HG   LEU 106           HG       LEU 106 -12.128   3.330   4.608
  824   1HD1  LEU 106          1HD1      LEU 106 -13.104   2.969   2.397
  825   2HD1  LEU 106          2HD1      LEU 106 -13.120   4.717   2.085
  826   3HD1  LEU 106          3HD1      LEU 106 -11.575   3.854   2.252
  827   1HD2  LEU 106          1HD2      LEU 106 -14.539   5.125   4.223
  828   2HD2  LEU 106          2HD2      LEU 106 -13.982   4.402   5.749
  829   3HD2  LEU 106          3HD2      LEU 106 -14.574   3.355   4.438
  830    H    ASN 107           H        ASN 107 -10.878   6.979   6.699
  831    HA   ASN 107           HA       ASN 107  -9.121   9.085   5.561
  832   1HB   ASN 107          1HB       ASN 107 -11.353   9.754   6.230
  833   2HB   ASN 107          2HB       ASN 107 -11.157   9.026   7.829
  834   1HD2  ASN 107          2HD2      ASN 107  -9.165   9.880   9.058
  835   2HD2  ASN 107          1HD2      ASN 107  -9.022  11.655   9.105
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -0.263  -2.309 -10.811
    2   2H    MET   1          2H        MET   1   0.479  -3.688 -11.366
    3   3H    MET   1          3H        MET   1  -1.044  -3.731 -10.700
    4    HA   MET   1           HA       MET   1  -0.295  -2.316 -13.164
    5   1HB   MET   1          1HB       MET   1  -1.811  -3.972 -14.299
    6   2HB   MET   1          2HB       MET   1  -0.236  -4.559 -13.776
    7   1HG   MET   1          2HG       MET   1  -1.228  -5.705 -11.859
    8   2HG   MET   1          1HG       MET   1  -2.849  -5.166 -12.335
    9   1HE   MET   1          1HE       MET   1  -4.259  -6.132 -14.185
   10   2HE   MET   1          2HE       MET   1  -3.091  -5.597 -15.422
   11   3HE   MET   1          3HE       MET   1  -3.670  -7.275 -15.411
   12    H    GLU   2           HN       GLU   2  -3.160  -3.514 -11.276
   13    HA   GLU   2           HA       GLU   2  -4.815  -1.273 -12.223
   14   1HB   GLU   2          1HB       GLU   2  -5.199  -3.278  -9.960
   15   2HB   GLU   2          2HB       GLU   2  -6.401  -2.112 -10.516
   16   1HG   GLU   2          1HG       GLU   2  -6.492  -3.214 -12.717
   17   2HG   GLU   2          2HG       GLU   2  -5.255  -4.377 -12.214
   18    H    ALA   3           H        ALA   3  -3.071  -2.430  -9.371
   19    HA   ALA   3           HA       ALA   3  -3.135   0.147  -7.966
   20   1HB   ALA   3          1HB       ALA   3  -3.053  -2.014  -6.728
   21   2HB   ALA   3          2HB       ALA   3  -1.518  -2.405  -7.522
   22   3HB   ALA   3          3HB       ALA   3  -1.609  -1.030  -6.399
   23    H    GLY   4           H        GLY   4  -1.338   1.672  -8.064
   24   1HA   GLY   4          2HA       GLY   4   0.298   1.428 -10.479
   25   2HA   GLY   4          1HA       GLY   4   0.334   2.731  -9.287
   26    H    ALA   5           H        ALA   5   2.726   1.864 -10.301
   27    HA   ALA   5           HA       ALA   5   3.986   0.212  -8.146
   28   1HB   ALA   5          1HB       ALA   5   4.382  -0.658 -10.413
   29   2HB   ALA   5          2HB       ALA   5   5.871   0.003  -9.708
   30   3HB   ALA   5          3HB       ALA   5   4.983   0.934 -10.932
   31    H    VAL   6           H        VAL   6   5.360   1.386  -6.759
   32    HA   VAL   6           HA       VAL   6   6.094   4.155  -7.561
   33    HB   VAL   6           HB       VAL   6   5.469   5.104  -5.494
   34   1HG1  VAL   6          1HG2      VAL   6   4.602   2.373  -4.486
   35   2HG1  VAL   6          2HG2      VAL   6   6.028   3.296  -3.942
   36   3HG1  VAL   6          3HG2      VAL   6   4.402   3.915  -3.641
   37   1HG2  VAL   6          1HG1      VAL   6   3.567   4.806  -7.083
   38   2HG2  VAL   6          2HG1      VAL   6   3.060   4.815  -5.376
   39   3HG2  VAL   6          3HG1      VAL   6   3.178   3.281  -6.251
   40    H    ASN   7           H        ASN   7   7.664   5.051  -5.910
   41    HA   ASN   7           HA       ASN   7   9.480   3.227  -4.580
   42   1HB   ASN   7          1HB       ASN   7  10.128   4.768  -7.162
   43   2HB   ASN   7          2HB       ASN   7  11.406   4.428  -6.020
   44   1HD2  ASN   7          2HD2      ASN   7  11.425   2.069  -5.180
   45   2HD2  ASN   7          1HD2      ASN   7  11.320   0.860  -6.462
   46    H    ASP   8           HN       ASP   8  11.361   4.908  -3.838
   47    HA   ASP   8           HA       ASP   8  10.221   6.669  -2.028
   48   1HB   ASP   8          2HB       ASP   8  12.619   5.935  -2.122
   49   2HB   ASP   8          1HB       ASP   8  12.915   7.067  -3.434
   50    H    ASP   9           HN       ASP   9  11.617   7.594  -5.109
   51    HA   ASP   9           HA       ASP   9  11.191  10.305  -5.283
   52   1HB   ASP   9          2HB       ASP   9  12.355   8.910  -6.962
   53   2HB   ASP   9          1HB       ASP   9  10.835   8.215  -7.497
   54    H    THR  10           H        THR  10   8.934   7.837  -6.530
   55    HA   THR  10           HA       THR  10   6.887   9.770  -7.189
   56    HB   THR  10           HB       THR  10   5.620   7.549  -7.632
   57    HG1  THR  10           HG1      THR  10   7.307   5.850  -7.874
   58   1HG2  THR  10          1HG2      THR  10   6.795   8.876  -9.380
   59   2HG2  THR  10          2HG2      THR  10   8.316   8.054  -8.988
   60   3HG2  THR  10          3HG2      THR  10   6.958   7.136  -9.672
   61    H    PHE  11           H        PHE  11   7.247   7.321  -4.661
   62    HA   PHE  11           HA       PHE  11   4.895   7.236  -3.320
   63   1HB   PHE  11          2HB       PHE  11   6.985   6.066  -2.718
   64   2HB   PHE  11          1HB       PHE  11   7.655   7.532  -2.045
   65    HD1  PHE  11           HD1      PHE  11   6.639   8.524   0.058
   66    HD2  PHE  11           HD2      PHE  11   5.572   4.626  -1.455
   67    HE1  PHE  11           HE1      PHE  11   5.756   7.895   2.276
   68    HE2  PHE  11           HE2      PHE  11   4.791   3.971   0.801
   69    HZ   PHE  11           HZ       PHE  11   4.795   5.632   2.650
   70    H    LYS  12           HN       LYS  12   7.401   9.633  -2.853
   71    HA   LYS  12           HA       LYS  12   6.438  11.368  -0.948
   72   1HB   LYS  12          1HB       LYS  12   7.794  11.821  -3.612
   73   2HB   LYS  12          2HB       LYS  12   7.265  13.204  -2.676
   74   1HG   LYS  12          2HG       LYS  12   8.628  12.444  -0.743
   75   2HG   LYS  12          1HG       LYS  12   8.956  10.894  -1.544
   76   1HD   LYS  12          1HD       LYS  12  10.236  12.038  -3.308
   77   2HD   LYS  12          2HD       LYS  12   9.946  13.606  -2.520
   78   1HE   LYS  12          2HE       LYS  12  11.096  12.788  -0.468
   79   2HE   LYS  12          1HE       LYS  12  11.343  11.206  -1.226
   80   1HZ   LYS  12          1HZ       LYS  12  13.284  12.558  -1.376
   81   2HZ   LYS  12          2HZ       LYS  12  12.688  12.268  -2.884
   82   3HZ   LYS  12          3HZ       LYS  12  12.469  13.744  -2.181
   83    H    ASN  13           H        ASN  13   5.376  11.469  -4.401
   84    HA   ASN  13           HA       ASN  13   3.374  13.548  -3.678
   85   1HB   ASN  13          2HB       ASN  13   4.742  13.594  -5.840
   86   2HB   ASN  13          1HB       ASN  13   3.788  12.233  -6.389
   87   1HD2  ASN  13          1HD2      ASN  13   3.382  15.559  -4.918
   88   2HD2  ASN  13          2HD2      ASN  13   1.901  15.875  -5.798
   89    H    VAL  14           H        VAL  14   3.670  10.317  -4.972
   90    HA   VAL  14           HA       VAL  14   0.950  10.060  -5.610
   91    HB   VAL  14           HB       VAL  14   3.106   7.935  -5.174
   92   1HG1  VAL  14          1HG1      VAL  14   3.485   9.556  -7.056
   93   2HG1  VAL  14          2HG1      VAL  14   1.889   9.145  -7.704
   94   3HG1  VAL  14          3HG1      VAL  14   3.171   7.921  -7.650
   95   1HG2  VAL  14          1HG2      VAL  14   1.651   6.459  -6.610
   96   2HG2  VAL  14          2HG2      VAL  14   1.015   6.710  -4.979
   97   3HG2  VAL  14          3HG2      VAL  14   0.313   7.588  -6.356
   98    H    VAL  15           H        VAL  15   2.694   9.388  -2.641
   99    HA   VAL  15           HA       VAL  15   0.273   8.269  -1.327
  100    HB   VAL  15           HB       VAL  15   3.184   8.030  -0.479
  101   1HG1  VAL  15          1HG1      VAL  15   0.695   6.558   0.453
  102   2HG1  VAL  15          2HG1      VAL  15   1.561   7.813   1.365
  103   3HG1  VAL  15          3HG1      VAL  15   2.362   6.286   0.998
  104   1HG2  VAL  15          1HG2      VAL  15   1.459   6.022  -1.977
  105   2HG2  VAL  15          2HG2      VAL  15   2.882   6.848  -2.613
  106   3HG2  VAL  15          3HG2      VAL  15   3.054   5.708  -1.279
  107    H    LEU  16           H        LEU  16   3.145  10.284  -0.405
  108    HA   LEU  16           HA       LEU  16   1.730  11.204   1.949
  109   1HB   LEU  16          1HB       LEU  16   4.246  12.393   0.732
  110   2HB   LEU  16          2HB       LEU  16   3.618  12.636   2.353
  111    HG   LEU  16           HG       LEU  16   4.587   9.976   1.204
  112   1HD1  LEU  16          1HD1      LEU  16   5.852  11.880   3.213
  113   2HD1  LEU  16          2HD1      LEU  16   6.385  11.627   1.537
  114   3HD1  LEU  16          3HD1      LEU  16   6.501  10.303   2.709
  115   1HD2  LEU  16          1HD2      LEU  16   3.608  10.762   3.991
  116   2HD2  LEU  16          2HD2      LEU  16   4.483   9.264   3.629
  117   3HD2  LEU  16          3HD2      LEU  16   2.900   9.545   2.903
  118    H    GLU  17           HN       GLU  17   2.957  13.232  -0.756
  119    HA   GLU  17           HA       GLU  17   0.992  15.336  -0.112
  120   1HB   GLU  17          2HB       GLU  17   3.419  15.738  -0.668
  121   2HB   GLU  17          1HB       GLU  17   3.095  15.124  -2.284
  122   1HG   GLU  17          2HG       GLU  17   1.381  17.051  -2.517
  123   2HG   GLU  17          1HG       GLU  17   2.044  17.668  -1.000
  124    H    SER  18           H        SER  18  -0.510  13.226  -0.632
  125    HA   SER  18           HA       SER  18  -1.183  13.060  -3.517
  126   1HB   SER  18          2HB       SER  18  -2.564  11.146  -2.767
  127   2HB   SER  18          1HB       SER  18  -0.885  11.002  -2.261
  128    HG   SER  18           HG       SER  18  -1.491  11.057  -0.259
  129    H    SER  19           H        SER  19  -3.964  12.410  -1.913
  130    HA   SER  19           HA       SER  19  -5.030  15.008  -1.403
  131   1HB   SER  19          2HB       SER  19  -6.673  15.001  -3.353
  132   2HB   SER  19          1HB       SER  19  -5.004  15.417  -3.772
  133    HG   SER  19           HG       SER  19  -4.694  13.309  -4.508
  134    H    VAL  20           H        VAL  20  -6.484  12.333  -3.132
  135    HA   VAL  20           HA       VAL  20  -8.380  11.732  -0.972
  136    HB   VAL  20           HB       VAL  20  -9.232  10.027  -2.537
  137   1HG1  VAL  20          1HG2      VAL  20  -7.143   9.226  -3.555
  138   2HG1  VAL  20          2HG2      VAL  20  -6.952  10.771  -4.410
  139   3HG1  VAL  20          3HG2      VAL  20  -8.326   9.711  -4.770
  140   1HG2  VAL  20          1HG1      VAL  20  -9.996  11.491  -4.306
  141   2HG2  VAL  20          2HG1      VAL  20  -8.683  12.641  -3.996
  142   3HG2  VAL  20          3HG1      VAL  20  -9.952  12.388  -2.778
  143    HA   PRO  21           HA       PRO  21  -6.143   8.607   1.124
  144   1HB   PRO  21          1HB       PRO  21  -8.288   6.631   0.260
  145   2HB   PRO  21          2HB       PRO  21  -7.520   6.762   1.871
  146   1HG   PRO  21          1HG       PRO  21  -9.922   7.865   1.411
  147   2HG   PRO  21          2HG       PRO  21  -8.705   8.820   2.306
  148   1HD   PRO  21          1HD       PRO  21  -9.562   9.092  -0.562
  149   2HD   PRO  21          2HD       PRO  21  -9.103  10.348   0.617
  150    H    VAL  22           H        VAL  22  -5.022   6.549   0.996
  151    HA   VAL  22           HA       VAL  22  -4.381   5.563  -1.695
  152    HB   VAL  22           HB       VAL  22  -2.278   6.633   0.221
  153   1HG1  VAL  22          1HG1      VAL  22  -1.572   4.860  -1.459
  154   2HG1  VAL  22          2HG1      VAL  22  -0.697   6.375  -1.505
  155   3HG1  VAL  22          3HG1      VAL  22  -1.912   6.059  -2.730
  156   1HG2  VAL  22          1HG2      VAL  22  -3.463   8.096  -2.165
  157   2HG2  VAL  22          2HG2      VAL  22  -3.442   8.620  -0.468
  158   3HG2  VAL  22          3HG2      VAL  22  -1.943   8.537  -1.380
  159    H    LEU  23           H        LEU  23  -3.556   3.450  -1.606
  160    HA   LEU  23           HA       LEU  23  -2.940   2.266   1.093
  161   1HB   LEU  23          1HB       LEU  23  -5.133   1.533   0.613
  162   2HB   LEU  23          2HB       LEU  23  -4.737   0.932  -0.991
  163    HG   LEU  23           HG       LEU  23  -3.304  -0.118   1.484
  164   1HD1  LEU  23          1HD1      LEU  23  -3.400  -2.291   0.128
  165   2HD1  LEU  23          2HD1      LEU  23  -2.399  -1.049  -0.601
  166   3HD1  LEU  23          3HD1      LEU  23  -4.047  -1.352  -1.211
  167   1HD2  LEU  23          1HD2      LEU  23  -5.986  -1.139   0.465
  168   2HD2  LEU  23          2HD2      LEU  23  -5.006  -1.863   1.751
  169   3HD2  LEU  23          3HD2      LEU  23  -5.713  -0.271   1.994
  170    H    VAL  24           H        VAL  24  -0.754   2.240   0.874
  171    HA   VAL  24           HA       VAL  24   0.403   1.335  -1.748
  172    HB   VAL  24           HB       VAL  24   1.265   3.418  -1.225
  173   1HG1  VAL  24          1HG2      VAL  24   1.894   2.429   1.566
  174   2HG1  VAL  24          2HG2      VAL  24   2.436   3.960   0.857
  175   3HG1  VAL  24          3HG2      VAL  24   0.712   3.685   1.113
  176   1HG2  VAL  24          1HG1      VAL  24   2.847   1.612  -1.981
  177   2HG2  VAL  24          2HG1      VAL  24   3.341   1.394  -0.287
  178   3HG2  VAL  24          3HG1      VAL  24   3.617   2.942  -1.101
  179    H    ASP  25           HN       ASP  25   1.226  -0.671  -1.825
  180    HA   ASP  25           HA       ASP  25   1.661  -2.211   0.698
  181   1HB   ASP  25          1HB       ASP  25   0.153  -3.311  -0.856
  182   2HB   ASP  25          2HB       ASP  25   1.316  -3.102  -2.169
  183    H    PHE  26           H        PHE  26   3.723  -2.230   1.395
  184    HA   PHE  26           HA       PHE  26   5.975  -1.559  -0.417
  185   1HB   PHE  26          1HB       PHE  26   5.750  -2.342   2.510
  186   2HB   PHE  26          2HB       PHE  26   7.275  -2.127   1.671
  187    HD1  PHE  26           HD1      PHE  26   4.033  -0.148   2.188
  188    HD2  PHE  26           HD2      PHE  26   8.347  -0.096   1.905
  189    HE1  PHE  26           HE1      PHE  26   4.059   2.208   2.870
  190    HE2  PHE  26           HE2      PHE  26   8.360   2.238   2.656
  191    HZ   PHE  26           HZ       PHE  26   6.215   3.375   3.268
  192    H    TRP  27           H        TRP  27   6.519  -3.129  -1.820
  193    HA   TRP  27           HA       TRP  27   6.453  -5.987  -0.887
  194   1HB   TRP  27          2HB       TRP  27   5.584  -6.697  -2.959
  195   2HB   TRP  27          1HB       TRP  27   4.565  -5.363  -2.483
  196    HD1  TRP  27           HD1      TRP  27   5.341  -2.945  -3.763
  197    HE1  TRP  27           HE1      TRP  27   6.411  -2.517  -6.085
  198    HE3  TRP  27           HE3      TRP  27   6.640  -7.743  -4.943
  199    HZ2  TRP  27           HZ2      TRP  27   7.881  -4.067  -8.037
  200    HZ3  TRP  27           HZ3      TRP  27   7.741  -8.249  -7.078
  201    HH2  TRP  27           HH2      TRP  27   8.313  -6.426  -8.672
  202    H    ALA  28           H        ALA  28   7.613  -7.268  -2.826
  203    HA   ALA  28           HA       ALA  28   9.753  -5.983  -4.172
  204   1HB   ALA  28          1HB       ALA  28  10.816  -5.865  -1.909
  205   2HB   ALA  28          2HB       ALA  28  11.689  -6.960  -2.991
  206   3HB   ALA  28          3HB       ALA  28  10.612  -7.629  -1.757
  207    HA   PRO  29           HA       PRO  29   9.379 -10.062  -6.070
  208   1HB   PRO  29          1HB       PRO  29  11.349 -10.069  -7.776
  209   2HB   PRO  29          2HB       PRO  29   9.882  -9.079  -8.101
  210   1HG   PRO  29          1HG       PRO  29  12.562  -8.100  -7.051
  211   2HG   PRO  29          2HG       PRO  29  11.488  -7.298  -8.227
  212   1HD   PRO  29          2HD       PRO  29  11.511  -6.636  -5.531
  213   2HD   PRO  29          1HD       PRO  29  10.054  -6.538  -6.519
  214    H    TRP  30           H        TRP  30   9.950 -11.529  -4.776
  215    HA   TRP  30           HA       TRP  30  11.685 -13.294  -4.272
  216   1HB   TRP  30          1HB       TRP  30  13.356 -12.721  -2.606
  217   2HB   TRP  30          2HB       TRP  30  13.675 -11.929  -4.127
  218    HD1  TRP  30           HD1      TRP  30  14.470  -9.549  -3.892
  219    HE1  TRP  30           HE1      TRP  30  14.488  -7.708  -2.119
  220    HE3  TRP  30           HE3      TRP  30  11.853 -11.957  -0.200
  221    HZ2  TRP  30           HZ2      TRP  30  13.319  -7.257   0.477
  222    HZ3  TRP  30           HZ3      TRP  30  11.246 -10.761   1.869
  223    HH2  TRP  30           HH2      TRP  30  11.856  -8.376   2.171
  224    H    CYS  31           H        CYS  31   9.911 -10.639  -2.847
  225    HA   CYS  31           HA       CYS  31   9.428 -11.981  -0.269
  226   1HB   CYS  31          2HB       CYS  31   9.387  -9.545  -0.384
  227   2HB   CYS  31          1HB       CYS  31   8.060  -9.608  -1.549
  228    H    GLY  32           H        GLY  32   8.775 -14.052  -1.183
  229   1HA   GLY  32          1HA       GLY  32   6.670 -14.791  -2.699
  230   2HA   GLY  32          2HA       GLY  32   7.010 -15.608  -1.172
  231    HA   PRO  33           HA       PRO  33   3.365 -14.121   0.901
  232   1HB   PRO  33          2HB       PRO  33   5.088 -12.065   2.330
  233   2HB   PRO  33          1HB       PRO  33   3.734 -13.012   3.020
  234   1HG   PRO  33          2HG       PRO  33   6.254 -13.842   3.421
  235   2HG   PRO  33          1HG       PRO  33   5.027 -15.017   2.853
  236   1HD   PRO  33          1HD       PRO  33   7.124 -13.516   1.231
  237   2HD   PRO  33          2HD       PRO  33   6.692 -15.248   1.141
  238    H    CYS  34           H        CYS  34   5.381 -11.513  -0.483
  239    HA   CYS  34           HA       CYS  34   3.139  -9.631  -0.605
  240   1HB   CYS  34          1HB       CYS  34   5.738  -9.433  -2.126
  241   2HB   CYS  34          2HB       CYS  34   4.569  -8.214  -1.700
  242    H    ARG  35           HN       ARG  35   5.098 -11.711  -2.750
  243    HA   ARG  35           HA       ARG  35   4.123 -11.009  -5.249
  244   1HB   ARG  35          2HB       ARG  35   6.026 -12.543  -4.694
  245   2HB   ARG  35          1HB       ARG  35   4.889 -13.799  -4.259
  246   1HG   ARG  35          1HG       ARG  35   5.831 -14.168  -6.457
  247   2HG   ARG  35          2HG       ARG  35   4.076 -14.030  -6.519
  248   1HD   ARG  35          1HD       ARG  35   5.881 -11.648  -7.116
  249   2HD   ARG  35          2HD       ARG  35   5.496 -12.880  -8.338
  250    HE   ARG  35           HE       ARG  35   3.076 -11.974  -7.119
  251   1HH1  ARG  35          1HH1      ARG  35   5.573 -10.893  -9.373
  252   2HH1  ARG  35          2HH1      ARG  35   4.483  -9.943 -10.346
  253   1HH2  ARG  35          1HH2      ARG  35   1.648 -10.779  -8.371
  254   2HH2  ARG  35          2HH2      ARG  35   2.191  -9.866  -9.756
  255    H    ILE  36           H        ILE  36   2.950 -13.552  -3.089
  256    HA   ILE  36           HA       ILE  36   0.729 -14.322  -4.770
  257    HB   ILE  36           HB       ILE  36  -0.104 -15.568  -2.852
  258   1HG1  ILE  36          1HG1      ILE  36   1.948 -13.977  -1.258
  259   2HG1  ILE  36          2HG1      ILE  36   0.184 -13.965  -1.078
  260   1HG2  ILE  36          1HG2      ILE  36   2.948 -15.728  -2.955
  261   2HG2  ILE  36          2HG2      ILE  36   1.805 -17.032  -2.588
  262   3HG2  ILE  36          3HG2      ILE  36   1.871 -16.351  -4.216
  263   1HD1  ILE  36          1HD1      ILE  36   2.045 -16.240  -0.408
  264   2HD1  ILE  36          2HD1      ILE  36   0.258 -16.345  -0.412
  265   3HD1  ILE  36          3HD1      ILE  36   1.090 -15.226   0.694
  266    H    ILE  37           H        ILE  37   0.996 -11.881  -2.210
  267    HA   ILE  37           HA       ILE  37  -1.811 -11.201  -2.209
  268    HB   ILE  37           HB       ILE  37   0.731  -9.982  -1.075
  269   1HG1  ILE  37          2HG1      ILE  37  -0.223 -12.048  -0.035
  270   2HG1  ILE  37          1HG1      ILE  37  -0.101 -10.650   1.020
  271   1HG2  ILE  37          1HG2      ILE  37  -0.453  -8.021  -1.353
  272   2HG2  ILE  37          2HG2      ILE  37  -0.843  -8.497   0.290
  273   3HG2  ILE  37          3HG2      ILE  37  -2.040  -8.764  -0.998
  274   1HD1  ILE  37          1HD1      ILE  37  -2.672 -11.682  -0.268
  275   2HD1  ILE  37          2HD1      ILE  37  -2.550 -10.257   0.789
  276   3HD1  ILE  37          3HD1      ILE  37  -2.178 -11.867   1.416
  277    H    ALA  38           H        ALA  38   0.988  -9.808  -3.960
  278    HA   ALA  38           HA       ALA  38   0.132  -7.480  -4.894
  279   1HB   ALA  38          1HB       ALA  38   2.241  -8.448  -5.531
  280   2HB   ALA  38          2HB       ALA  38   1.461  -9.662  -6.548
  281   3HB   ALA  38          3HB       ALA  38   1.388  -7.959  -7.005
  282    HA   PRO  39           HA       PRO  39  -2.733  -9.050  -8.452
  283   1HB   PRO  39          2HB       PRO  39  -3.819 -11.626  -7.405
  284   2HB   PRO  39          1HB       PRO  39  -3.297 -11.228  -9.063
  285   1HG   PRO  39          2HG       PRO  39  -1.796 -12.861  -7.458
  286   2HG   PRO  39          1HG       PRO  39  -1.012 -11.649  -8.520
  287   1HD   PRO  39          1HD       PRO  39  -1.765 -11.319  -5.594
  288   2HD   PRO  39          2HD       PRO  39  -0.161 -11.094  -6.345
  289    H    VAL  40           H        VAL  40  -3.258  -9.978  -5.074
  290    HA   VAL  40           HA       VAL  40  -6.080  -9.403  -4.972
  291    HB   VAL  40           HB       VAL  40  -4.143  -9.511  -2.620
  292   1HG1  VAL  40          1HG1      VAL  40  -6.094 -10.230  -1.414
  293   2HG1  VAL  40          2HG1      VAL  40  -7.080 -10.163  -2.899
  294   3HG1  VAL  40          3HG1      VAL  40  -6.399  -8.671  -2.204
  295   1HG2  VAL  40          1HG2      VAL  40  -4.755 -11.932  -2.460
  296   2HG2  VAL  40          2HG2      VAL  40  -5.542 -11.824  -4.048
  297   3HG2  VAL  40          3HG2      VAL  40  -3.786 -11.609  -3.897
  298    H    VAL  41           H        VAL  41  -3.012  -7.705  -4.170
  299    HA   VAL  41           HA       VAL  41  -4.148  -5.271  -3.240
  300    HB   VAL  41           HB       VAL  41  -1.586  -5.585  -4.890
  301   1HG1  VAL  41          1HG1      VAL  41  -0.427  -5.686  -2.728
  302   2HG1  VAL  41          2HG1      VAL  41  -1.991  -5.720  -1.877
  303   3HG1  VAL  41          3HG1      VAL  41  -1.518  -7.044  -2.955
  304   1HG2  VAL  41          1HG2      VAL  41  -2.237  -3.255  -4.733
  305   2HG2  VAL  41          2HG2      VAL  41  -2.527  -3.414  -2.980
  306   3HG2  VAL  41          3HG2      VAL  41  -0.888  -3.542  -3.633
  307    H    ASP  42           HN       ASP  42  -3.303  -6.311  -6.570
  308    HA   ASP  42           HA       ASP  42  -4.251  -3.979  -7.893
  309   1HB   ASP  42          1HB       ASP  42  -3.930  -6.873  -8.767
  310   2HB   ASP  42          2HB       ASP  42  -4.546  -5.645  -9.864
  311    H    GLU  43           HN       GLU  43  -6.103  -7.107  -7.352
  312    HA   GLU  43           HA       GLU  43  -8.405  -6.010  -8.620
  313   1HB   GLU  43          1HB       GLU  43  -9.502  -7.899  -8.036
  314   2HB   GLU  43          2HB       GLU  43  -7.830  -8.453  -8.053
  315   1HG   GLU  43          2HG       GLU  43  -7.898  -8.054  -5.467
  316   2HG   GLU  43          1HG       GLU  43  -9.642  -7.896  -5.667
  317    H    ILE  44           H        ILE  44  -7.354  -5.936  -5.193
  318    HA   ILE  44           HA       ILE  44  -9.677  -4.671  -4.140
  319    HB   ILE  44           HB       ILE  44  -6.741  -4.641  -3.325
  320   1HG1  ILE  44          2HG1      ILE  44  -9.268  -5.946  -2.200
  321   2HG1  ILE  44          1HG1      ILE  44  -8.040  -6.790  -3.108
  322   1HG2  ILE  44          1HG2      ILE  44  -9.084  -3.489  -1.763
  323   2HG2  ILE  44          2HG2      ILE  44  -7.815  -2.518  -2.549
  324   3HG2  ILE  44          3HG2      ILE  44  -7.391  -3.582  -1.227
  325   1HD1  ILE  44          1HD1      ILE  44  -7.729  -5.562  -0.348
  326   2HD1  ILE  44          2HD1      ILE  44  -7.633  -7.259  -0.787
  327   3HD1  ILE  44          3HD1      ILE  44  -6.353  -6.152  -1.317
  328    H    ALA  45           H        ALA  45  -6.721  -3.309  -5.696
  329    HA   ALA  45           HA       ALA  45  -7.429  -0.600  -5.528
  330   1HB   ALA  45          1HB       ALA  45  -6.013  -0.224  -7.403
  331   2HB   ALA  45          2HB       ALA  45  -6.240  -1.828  -8.053
  332   3HB   ALA  45          3HB       ALA  45  -5.312  -1.638  -6.559
  333    H    GLY  46           H        GLY  46  -8.322  -3.005  -8.086
  334   1HA   GLY  46          1HA       GLY  46  -9.951  -1.349  -9.657
  335   2HA   GLY  46          2HA       GLY  46 -10.196  -3.094  -9.431
  336    H    GLU  47           HN       GLU  47 -10.892  -3.277  -6.760
  337    HA   GLU  47           HA       GLU  47 -13.636  -2.591  -6.793
  338   1HB   GLU  47          1HB       GLU  47 -11.770  -3.442  -4.547
  339   2HB   GLU  47          2HB       GLU  47 -13.516  -3.291  -4.378
  340   1HG   GLU  47          1HG       GLU  47 -13.888  -4.991  -6.104
  341   2HG   GLU  47          2HG       GLU  47 -12.154  -5.154  -6.374
  342    H    TYR  48           H        TYR  48 -10.955  -0.970  -5.081
  343    HA   TYR  48           HA       TYR  48 -12.921   1.137  -4.150
  344   1HB   TYR  48          2HB       TYR  48 -10.336   0.160  -2.900
  345   2HB   TYR  48          1HB       TYR  48 -11.377   1.424  -2.246
  346    HD1  TYR  48           HD1      TYR  48 -13.749   0.901  -1.558
  347    HD2  TYR  48           HD2      TYR  48 -10.905  -2.177  -2.550
  348    HE1  TYR  48           HE1      TYR  48 -15.299  -0.812  -0.676
  349    HE2  TYR  48           HE2      TYR  48 -12.491  -3.901  -1.733
  350    HH   TYR  48           HH       TYR  48 -15.598  -3.066  -0.200
  351    H    LYS  49           HN       LYS  49 -10.697   0.984  -6.517
  352    HA   LYS  49           HA       LYS  49  -8.884   2.876  -6.504
  353   1HB   LYS  49          1HB       LYS  49 -10.618   1.724  -8.519
  354   2HB   LYS  49          2HB       LYS  49 -10.374   3.424  -8.914
  355   1HG   LYS  49          1HG       LYS  49  -7.956   3.173  -8.842
  356   2HG   LYS  49          2HG       LYS  49  -8.110   1.494  -8.298
  357   1HD   LYS  49          1HD       LYS  49  -9.427   1.008 -10.420
  358   2HD   LYS  49          2HD       LYS  49  -8.985   2.622 -10.999
  359   1HE   LYS  49          2HE       LYS  49  -7.044   0.395 -10.197
  360   2HE   LYS  49          1HE       LYS  49  -7.471   0.822 -11.860
  361   1HZ   LYS  49          1HZ       LYS  49  -6.472   2.937 -11.552
  362   2HZ   LYS  49          2HZ       LYS  49  -6.178   2.640  -9.955
  363   3HZ   LYS  49          3HZ       LYS  49  -5.394   1.763 -11.099
  364    H    ASP  50           HN       ASP  50 -12.285   3.603  -6.908
  365    HA   ASP  50           HA       ASP  50 -12.701   6.147  -7.484
  366   1HB   ASP  50          2HB       ASP  50 -14.389   4.500  -6.712
  367   2HB   ASP  50          1HB       ASP  50 -13.862   4.695  -5.048
  368    H    LYS  51           HN       LYS  51 -11.979   5.225  -4.161
  369    HA   LYS  51           HA       LYS  51 -11.132   8.053  -3.495
  370   1HB   LYS  51          1HB       LYS  51 -12.311   5.838  -1.784
  371   2HB   LYS  51          2HB       LYS  51 -11.639   7.338  -1.131
  372   1HG   LYS  51          1HG       LYS  51 -13.234   8.693  -2.336
  373   2HG   LYS  51          2HG       LYS  51 -13.948   7.285  -3.121
  374   1HD   LYS  51          2HD       LYS  51 -13.794   7.631  -0.090
  375   2HD   LYS  51          1HD       LYS  51 -15.153   8.236  -1.039
  376   1HE   LYS  51          2HE       LYS  51 -14.309   5.298  -0.965
  377   2HE   LYS  51          1HE       LYS  51 -15.575   6.016   0.034
  378   1HZ   LYS  51          1HZ       LYS  51 -16.452   4.978  -1.924
  379   2HZ   LYS  51          2HZ       LYS  51 -16.762   6.595  -1.931
  380   3HZ   LYS  51          3HZ       LYS  51 -15.594   5.982  -2.910
  381    H    LEU  52           H        LEU  52 -10.261   4.642  -3.376
  382    HA   LEU  52           HA       LEU  52  -7.913   5.223  -1.676
  383   1HB   LEU  52          1HB       LEU  52  -9.636   3.379  -1.209
  384   2HB   LEU  52          2HB       LEU  52  -8.986   2.557  -2.629
  385    HG   LEU  52           HG       LEU  52  -6.672   2.750  -1.492
  386   1HD1  LEU  52          1HD1      LEU  52  -8.487   3.452   0.872
  387   2HD1  LEU  52          2HD1      LEU  52  -6.808   2.922   1.036
  388   3HD1  LEU  52          3HD1      LEU  52  -7.159   4.437   0.224
  389   1HD2  LEU  52          1HD2      LEU  52  -8.926   1.110  -0.227
  390   2HD2  LEU  52          2HD2      LEU  52  -7.198   0.746  -0.082
  391   3HD2  LEU  52          3HD2      LEU  52  -7.981   0.659  -1.663
  392    H    LYS  53           HN       LYS  53  -6.264   5.993  -2.883
  393    HA   LYS  53           HA       LYS  53  -5.699   5.018  -5.566
  394   1HB   LYS  53          1HB       LYS  53  -5.256   7.335  -4.384
  395   2HB   LYS  53          2HB       LYS  53  -3.755   6.609  -3.868
  396   1HG   LYS  53          2HG       LYS  53  -4.750   6.895  -6.743
  397   2HG   LYS  53          1HG       LYS  53  -3.554   7.922  -5.943
  398   1HD   LYS  53          2HD       LYS  53  -2.028   5.977  -5.686
  399   2HD   LYS  53          1HD       LYS  53  -3.191   4.945  -6.549
  400   1HE   LYS  53          1HE       LYS  53  -3.054   6.433  -8.534
  401   2HE   LYS  53          2HE       LYS  53  -1.881   7.460  -7.688
  402   1HZ   LYS  53          1HZ       LYS  53  -0.410   5.592  -7.588
  403   2HZ   LYS  53          2HZ       LYS  53  -1.501   4.630  -8.363
  404   3HZ   LYS  53          3HZ       LYS  53  -0.827   5.913  -9.149
  405    H    CYS  54           H        CYS  54  -5.460   2.750  -5.258
  406    HA   CYS  54           HA       CYS  54  -3.654   1.746  -3.256
  407   1HB   CYS  54          1HB       CYS  54  -5.594   0.471  -3.988
  408   2HB   CYS  54          2HB       CYS  54  -4.869   0.356  -5.617
  409    HG   CYS  54           HG       CYS  54  -3.177  -0.390  -2.912
  410    H    VAL  55           H        VAL  55  -1.459   1.092  -3.466
  411    HA   VAL  55           HA       VAL  55  -0.199   1.064  -6.102
  412    HB   VAL  55           HB       VAL  55   1.601   2.642  -4.648
  413   1HG1  VAL  55          1HG1      VAL  55   0.540   4.565  -3.800
  414   2HG1  VAL  55          2HG1      VAL  55  -0.229   3.203  -2.974
  415   3HG1  VAL  55          3HG1      VAL  55  -1.064   4.025  -4.310
  416   1HG2  VAL  55          1HG2      VAL  55   1.153   2.829  -6.996
  417   2HG2  VAL  55          2HG2      VAL  55  -0.501   3.384  -6.710
  418   3HG2  VAL  55          3HG2      VAL  55   0.879   4.405  -6.262
  419    H    LYS  56           HN       LYS  56   2.144   0.556  -5.920
  420    HA   LYS  56           HA       LYS  56   2.741  -1.237  -3.634
  421   1HB   LYS  56          1HB       LYS  56   2.118  -1.795  -6.430
  422   2HB   LYS  56          2HB       LYS  56   3.727  -2.393  -6.039
  423   1HG   LYS  56          1HG       LYS  56   2.810  -3.573  -4.038
  424   2HG   LYS  56          2HG       LYS  56   1.198  -2.950  -4.429
  425   1HD   LYS  56          2HD       LYS  56   2.820  -4.800  -6.237
  426   2HD   LYS  56          1HD       LYS  56   1.592  -5.328  -5.073
  427   1HE   LYS  56          1HE       LYS  56  -0.091  -3.846  -6.246
  428   2HE   LYS  56          2HE       LYS  56   1.125  -3.543  -7.504
  429   1HZ   LYS  56          1HZ       LYS  56  -0.025  -6.136  -6.753
  430   2HZ   LYS  56          2HZ       LYS  56  -0.310  -5.315  -8.137
  431   3HZ   LYS  56          3HZ       LYS  56   1.190  -5.932  -7.853
  432    H    LEU  57           H        LEU  57   4.646  -0.600  -2.696
  433    HA   LEU  57           HA       LEU  57   6.607   0.935  -4.341
  434   1HB   LEU  57          2HB       LEU  57   6.006   1.928  -2.196
  435   2HB   LEU  57          1HB       LEU  57   6.522   0.501  -1.353
  436    HG   LEU  57           HG       LEU  57   8.634   1.572  -3.104
  437   1HD1  LEU  57          1HD2      LEU  57   8.551   1.104  -0.104
  438   2HD1  LEU  57          2HD2      LEU  57   8.813  -0.217  -1.249
  439   3HD1  LEU  57          3HD2      LEU  57   9.975   1.111  -1.130
  440   1HD2  LEU  57          1HD1      LEU  57   9.189   3.459  -1.581
  441   2HD2  LEU  57          2HD1      LEU  57   7.632   3.247  -0.763
  442   3HD2  LEU  57          3HD1      LEU  57   7.690   3.742  -2.471
  443    H    ASN  58           H        ASN  58   8.440  -0.035  -5.124
  444    HA   ASN  58           HA       ASN  58   9.040  -2.789  -4.237
  445   1HB   ASN  58          2HB       ASN  58   9.368  -2.171  -6.587
  446   2HB   ASN  58          1HB       ASN  58  10.586  -0.984  -6.117
  447   1HD2  ASN  58          2HD2      ASN  58  10.287  -4.034  -7.323
  448   2HD2  ASN  58          1HD2      ASN  58  11.793  -4.721  -6.734
  449    H    THR  59           H        THR  59   9.886  -3.058  -2.375
  450    HA   THR  59           HA       THR  59  11.053  -0.977  -0.756
  451    HB   THR  59           HB       THR  59  10.912  -3.980  -0.287
  452    HG1  THR  59           HG1      THR  59   8.869  -3.216  -0.769
  453   1HG2  THR  59          1HG2      THR  59  12.297  -2.789   1.384
  454   2HG2  THR  59          2HG2      THR  59  10.766  -3.321   2.098
  455   3HG2  THR  59          3HG2      THR  59  10.981  -1.622   1.635
  456    H    ASP  60           HN       ASP  60  12.371  -3.560  -2.763
  457    HA   ASP  60           HA       ASP  60  14.997  -3.646  -1.552
  458   1HB   ASP  60          1HB       ASP  60  13.701  -5.325  -3.094
  459   2HB   ASP  60          2HB       ASP  60  14.315  -4.358  -4.430
  460    H    GLU  61           HN       GLU  61  13.449  -2.006  -4.215
  461    HA   GLU  61           HA       GLU  61  15.725  -0.410  -5.088
  462   1HB   GLU  61          2HB       GLU  61  14.005  -1.404  -6.568
  463   2HB   GLU  61          1HB       GLU  61  12.769  -0.439  -5.745
  464   1HG   GLU  61          2HG       GLU  61  13.777   1.638  -6.638
  465   2HG   GLU  61          1HG       GLU  61  15.089   0.690  -7.361
  466    H    SER  62           H        SER  62  12.999   0.046  -2.850
  467    HA   SER  62           HA       SER  62  13.939   2.839  -2.305
  468   1HB   SER  62          1HB       SER  62  11.075   1.946  -2.823
  469   2HB   SER  62          2HB       SER  62  11.594   3.451  -2.070
  470    HG   SER  62           HG       SER  62  13.116   3.052  -4.222
  471    HA   PRO  63           HA       PRO  63  13.660   0.260   1.574
  472   1HB   PRO  63          1HB       PRO  63  16.280   0.508   2.317
  473   2HB   PRO  63          2HB       PRO  63  15.705  -0.787   1.215
  474   1HG   PRO  63          1HG       PRO  63  16.994   1.862   0.484
  475   2HG   PRO  63          2HG       PRO  63  17.397   0.234  -0.140
  476   1HD   PRO  63          1HD       PRO  63  15.744   1.913  -1.511
  477   2HD   PRO  63          2HD       PRO  63  15.428   0.166  -1.463
  478    H    ASN  64           H        ASN  64  15.012   3.286   0.495
  479    HA   ASN  64           HA       ASN  64  15.536   4.844   2.670
  480   1HB   ASN  64          2HB       ASN  64  13.921   5.508   0.166
  481   2HB   ASN  64          1HB       ASN  64  14.377   6.714   1.369
  482   1HD2  ASN  64          1HD2      ASN  64  15.349   7.528  -0.824
  483   2HD2  ASN  64          2HD2      ASN  64  17.021   7.039  -1.105
  484    H    VAL  65           H        VAL  65  12.292   4.980   1.269
  485    HA   VAL  65           HA       VAL  65  10.944   6.195   3.386
  486    HB   VAL  65           HB       VAL  65  10.010   4.205   1.261
  487   1HG1  VAL  65          1HG2      VAL  65   8.322   6.159   2.857
  488   2HG1  VAL  65          2HG2      VAL  65   7.791   5.018   1.587
  489   3HG1  VAL  65          3HG2      VAL  65   8.362   4.412   3.139
  490   1HG2  VAL  65          1HG1      VAL  65  10.088   7.254   1.345
  491   2HG2  VAL  65          2HG1      VAL  65   9.268   6.292   0.096
  492   3HG2  VAL  65          3HG1      VAL  65  11.026   6.197   0.275
  493    H    ALA  66           H        ALA  66  11.364   2.805   2.599
  494    HA   ALA  66           HA       ALA  66   9.755   1.616   4.613
  495   1HB   ALA  66          1HB       ALA  66  11.121  -0.408   4.238
  496   2HB   ALA  66          2HB       ALA  66  10.702   0.385   2.700
  497   3HB   ALA  66          3HB       ALA  66  12.330   0.534   3.391
  498    H    SER  67           H        SER  67  13.162   2.675   4.740
  499    HA   SER  67           HA       SER  67  13.604   1.743   7.449
  500   1HB   SER  67          2HB       SER  67  15.193   3.743   5.777
  501   2HB   SER  67          1HB       SER  67  15.735   2.902   7.241
  502    HG   SER  67           HG       SER  67  15.014   1.720   4.755
  503    H    GLU  68           HN       GLU  68  12.883   4.868   5.905
  504    HA   GLU  68           HA       GLU  68  13.080   6.554   8.174
  505   1HB   GLU  68          1HB       GLU  68  11.256   6.685   5.736
  506   2HB   GLU  68          2HB       GLU  68  11.374   7.976   6.932
  507   1HG   GLU  68          1HG       GLU  68  13.656   8.425   6.428
  508   2HG   GLU  68          2HG       GLU  68  13.852   6.938   5.503
  509    H    TYR  69           H        TYR  69  10.227   4.739   6.927
  510    HA   TYR  69           HA       TYR  69   8.665   5.432   9.323
  511   1HB   TYR  69          2HB       TYR  69   8.209   3.778   6.826
  512   2HB   TYR  69          1HB       TYR  69   7.156   3.567   8.206
  513    HD1  TYR  69           HD1      TYR  69   7.366   5.307   5.196
  514    HD2  TYR  69           HD2      TYR  69   6.362   5.920   9.344
  515    HE1  TYR  69           HE1      TYR  69   6.051   7.340   4.598
  516    HE2  TYR  69           HE2      TYR  69   5.147   7.995   8.748
  517    HH   TYR  69           HH       TYR  69   4.608   9.467   7.054
  518    H    GLY  70           H        GLY  70  10.586   2.663   8.194
  519   1HA   GLY  70          2HA       GLY  70  11.622   1.041   9.432
  520   2HA   GLY  70          1HA       GLY  70  10.955   1.731  10.932
  521    H    ILE  71           H        ILE  71   9.751   0.301   7.880
  522    HA   ILE  71           HA       ILE  71   7.468  -0.939   9.102
  523    HB   ILE  71           HB       ILE  71   7.239  -2.043   6.916
  524   1HG1  ILE  71          2HG1      ILE  71   9.896  -0.738   6.191
  525   2HG1  ILE  71          1HG1      ILE  71   9.604  -2.461   6.382
  526   1HG2  ILE  71          1HG2      ILE  71   7.994   0.904   6.590
  527   2HG2  ILE  71          2HG2      ILE  71   6.507   0.353   7.384
  528   3HG2  ILE  71          3HG2      ILE  71   6.770   0.000   5.678
  529   1HD1  ILE  71          1HD1      ILE  71   9.496  -2.020   4.033
  530   2HD1  ILE  71          2HD1      ILE  71   8.474  -0.598   4.289
  531   3HD1  ILE  71          3HD1      ILE  71   7.812  -2.227   4.550
  532    H    ARG  72           HN       ARG  72   7.078  -3.056   9.715
  533    HA   ARG  72           HA       ARG  72   9.420  -4.584  10.586
  534   1HB   ARG  72          2HB       ARG  72   7.302  -4.253  11.937
  535   2HB   ARG  72          1HB       ARG  72   6.481  -5.299  10.775
  536   1HG   ARG  72          2HG       ARG  72   8.318  -7.065  11.343
  537   2HG   ARG  72          1HG       ARG  72   8.745  -5.990  12.684
  538   1HD   ARG  72          2HD       ARG  72   7.202  -7.679  13.494
  539   2HD   ARG  72          1HD       ARG  72   6.346  -6.119  13.455
  540    HE   ARG  72           HE       ARG  72   6.024  -7.564  10.981
  541   1HH1  ARG  72          2HH1      ARG  72   4.878  -7.523  14.319
  542   2HH1  ARG  72          1HH1      ARG  72   3.336  -8.250  13.954
  543   1HH2  ARG  72          1HH2      ARG  72   4.037  -8.552  10.490
  544   2HH2  ARG  72          2HH2      ARG  72   2.844  -8.838  11.726
  545    H    SER  73           H        SER  73  10.074  -4.677   8.240
  546    HA   SER  73           HA       SER  73  10.596  -5.972   6.428
  547   1HB   SER  73          2HB       SER  73  10.521  -7.912   8.060
  548   2HB   SER  73          1HB       SER  73   8.835  -8.197   7.575
  549    HG   SER  73           HG       SER  73  10.346  -9.446   6.366
  550    H    ILE  74           H        ILE  74   8.811  -7.809   5.051
  551    HA   ILE  74           HA       ILE  74   6.501  -6.119   4.339
  552    HB   ILE  74           HB       ILE  74   7.145  -6.476   1.874
  553   1HG1  ILE  74          1HG1      ILE  74   9.954  -6.854   2.922
  554   2HG1  ILE  74          2HG1      ILE  74   8.933  -8.176   2.327
  555   1HG2  ILE  74          1HG2      ILE  74   7.282  -4.316   3.208
  556   2HG2  ILE  74          2HG2      ILE  74   8.382  -4.415   1.840
  557   3HG2  ILE  74          3HG2      ILE  74   9.001  -4.671   3.480
  558   1HD1  ILE  74          1HD1      ILE  74  10.302  -7.387   0.492
  559   2HD1  ILE  74          2HD1      ILE  74   9.787  -5.723   0.736
  560   3HD1  ILE  74          3HD1      ILE  74   8.630  -6.944   0.164
  561    HA   PRO  75           HA       PRO  75   4.989  -6.455   2.283
  562   1HB   PRO  75          1HB       PRO  75   2.322  -7.004   2.410
  563   2HB   PRO  75          2HB       PRO  75   3.435  -7.692   1.208
  564   1HG   PRO  75          1HG       PRO  75   2.510  -8.902   3.832
  565   2HG   PRO  75          2HG       PRO  75   2.523  -9.703   2.232
  566   1HD   PRO  75          1HD       PRO  75   4.538 -10.102   4.037
  567   2HD   PRO  75          2HD       PRO  75   4.880  -9.931   2.291
  568    H    THR  76           H        THR  76   4.136  -4.648   2.944
  569    HA   THR  76           HA       THR  76   2.926  -4.335   5.616
  570    HB   THR  76           HB       THR  76   5.452  -2.897   4.723
  571    HG1  THR  76           HG1      THR  76   6.176  -4.375   6.068
  572   1HG2  THR  76          1HG2      THR  76   4.186  -1.117   5.516
  573   2HG2  THR  76          2HG2      THR  76   3.305  -2.105   6.711
  574   3HG2  THR  76          3HG2      THR  76   4.994  -1.658   6.989
  575    H    ILE  77           H        ILE  77   1.027  -3.658   5.000
  576    HA   ILE  77           HA       ILE  77   0.622  -1.997   2.571
  577    HB   ILE  77           HB       ILE  77  -1.254  -3.696   4.263
  578   1HG1  ILE  77          2HG1      ILE  77  -0.338  -4.025   1.372
  579   2HG1  ILE  77          1HG1      ILE  77   0.366  -4.901   2.733
  580   1HG2  ILE  77          1HG2      ILE  77  -2.951  -3.110   2.509
  581   2HG2  ILE  77          2HG2      ILE  77  -1.761  -2.000   1.786
  582   3HG2  ILE  77          3HG2      ILE  77  -2.428  -1.690   3.401
  583   1HD1  ILE  77          1HD1      ILE  77  -1.886  -5.867   3.253
  584   2HD1  ILE  77          2HD1      ILE  77  -2.497  -5.135   1.748
  585   3HD1  ILE  77          3HD1      ILE  77  -1.212  -6.348   1.684
  586    H    MET  78           H        MET  78   0.805   0.090   3.074
  587    HA   MET  78           HA       MET  78  -0.152   1.047   5.751
  588   1HB   MET  78          1HB       MET  78   1.828   2.250   3.816
  589   2HB   MET  78          2HB       MET  78   1.247   3.019   5.314
  590   1HG   MET  78          2HG       MET  78   2.123   1.071   6.599
  591   2HG   MET  78          1HG       MET  78   2.714   0.387   5.082
  592   1HE   MET  78          1HE       MET  78   2.887   4.027   6.700
  593   2HE   MET  78          2HE       MET  78   3.283   2.835   7.968
  594   3HE   MET  78          3HE       MET  78   4.537   3.939   7.359
  595    H    VAL  79           H        VAL  79  -1.859   2.312   5.814
  596    HA   VAL  79           HA       VAL  79  -3.073   3.191   3.229
  597    HB   VAL  79           HB       VAL  79  -4.363   2.921   5.963
  598   1HG1  VAL  79          1HG1      VAL  79  -4.765   1.310   3.416
  599   2HG1  VAL  79          2HG1      VAL  79  -3.942   0.724   4.879
  600   3HG1  VAL  79          3HG1      VAL  79  -5.662   1.103   4.934
  601   1HG2  VAL  79          1HG2      VAL  79  -5.494   3.829   3.279
  602   2HG2  VAL  79          2HG2      VAL  79  -5.328   4.822   4.727
  603   3HG2  VAL  79          3HG2      VAL  79  -6.467   3.488   4.720
  604    H    PHE  80           H        PHE  80  -3.223   5.341   2.901
  605    HA   PHE  80           HA       PHE  80  -2.612   7.223   5.112
  606   1HB   PHE  80          1HB       PHE  80  -1.748   7.468   2.200
  607   2HB   PHE  80          2HB       PHE  80  -1.626   8.726   3.407
  608    HD1  PHE  80           HD1      PHE  80   0.459   8.995   4.494
  609    HD2  PHE  80           HD2      PHE  80  -0.502   5.183   2.740
  610    HE1  PHE  80           HE1      PHE  80   2.689   8.140   5.134
  611    HE2  PHE  80           HE2      PHE  80   1.765   4.373   3.300
  612    HZ   PHE  80           HZ       PHE  80   3.332   5.790   4.581
  613    H    LYS  81           HN       LYS  81  -4.135   8.904   5.142
  614    HA   LYS  81           HA       LYS  81  -6.484   8.497   3.282
  615   1HB   LYS  81          2HB       LYS  81  -7.998   9.071   4.943
  616   2HB   LYS  81          1HB       LYS  81  -7.015   7.721   5.448
  617   1HG   LYS  81          1HG       LYS  81  -7.391  10.361   6.740
  618   2HG   LYS  81          2HG       LYS  81  -7.225   8.761   7.401
  619   1HD   LYS  81          1HD       LYS  81  -4.783   8.791   7.047
  620   2HD   LYS  81          2HD       LYS  81  -4.865  10.390   6.323
  621   1HE   LYS  81          1HE       LYS  81  -4.188  10.741   8.546
  622   2HE   LYS  81          2HE       LYS  81  -5.882  11.256   8.475
  623   1HZ   LYS  81          1HZ       LYS  81  -5.478   9.936  10.394
  624   2HZ   LYS  81          2HZ       LYS  81  -6.427   9.042   9.381
  625   3HZ   LYS  81          3HZ       LYS  81  -4.805   8.729   9.500
  626    H    GLY  82           H        GLY  82  -6.421  11.241   5.389
  627   1HA   GLY  82          1HA       GLY  82  -6.213  13.075   3.191
  628   2HA   GLY  82          2HA       GLY  82  -6.279  13.485   4.915
  629    H    GLY  83           H        GLY  83  -4.110  12.042   2.456
  630   1HA   GLY  83          2HA       GLY  83  -1.915  12.521   1.942
  631   2HA   GLY  83          1HA       GLY  83  -1.877  13.784   3.168
  632    H    LYS  84           HN       LYS  84  -2.230  12.619   5.484
  633    HA   LYS  84           HA       LYS  84   0.226  10.992   5.772
  634   1HB   LYS  84          2HB       LYS  84  -1.574  12.227   7.888
  635   2HB   LYS  84          1HB       LYS  84   0.014  11.478   8.143
  636   1HG   LYS  84          1HG       LYS  84   0.913  13.163   6.384
  637   2HG   LYS  84          2HG       LYS  84  -0.627  14.009   6.596
  638   1HD   LYS  84          2HD       LYS  84  -0.081  14.002   9.136
  639   2HD   LYS  84          1HD       LYS  84   1.499  13.334   8.702
  640   1HE   LYS  84          2HE       LYS  84   1.732  15.726   9.017
  641   2HE   LYS  84          1HE       LYS  84   1.961  15.357   7.300
  642   1HZ   LYS  84          1HZ       LYS  84  -0.517  16.366   8.525
  643   2HZ   LYS  84          2HZ       LYS  84  -0.293  16.065   6.920
  644   3HZ   LYS  84          3HZ       LYS  84   0.561  17.262   7.660
  645    H    LYS  85           HN       LYS  85   0.176   9.386   7.614
  646    HA   LYS  85           HA       LYS  85  -1.009   7.040   6.711
  647   1HB   LYS  85          2HB       LYS  85   0.147   7.802   9.424
  648   2HB   LYS  85          1HB       LYS  85  -0.364   6.164   8.981
  649   1HG   LYS  85          1HG       LYS  85   1.224   6.106   7.119
  650   2HG   LYS  85          2HG       LYS  85   1.758   7.753   7.487
  651   1HD   LYS  85          1HD       LYS  85   3.305   6.052   8.363
  652   2HD   LYS  85          2HD       LYS  85   2.636   7.055   9.661
  653   1HE   LYS  85          2HE       LYS  85   1.137   5.267  10.358
  654   2HE   LYS  85          1HE       LYS  85   1.513   4.322   8.905
  655   1HZ   LYS  85          1HZ       LYS  85   2.664   3.511  10.794
  656   2HZ   LYS  85          2HZ       LYS  85   3.761   4.130   9.733
  657   3HZ   LYS  85          3HZ       LYS  85   3.362   4.976  11.090
  658    H    CYS  86           H        CYS  86  -2.505   5.674   7.528
  659    HA   CYS  86           HA       CYS  86  -4.576   6.630   9.457
  660   1HB   CYS  86          2HB       CYS  86  -5.362   6.680   7.006
  661   2HB   CYS  86          1HB       CYS  86  -5.114   4.939   6.976
  662    HG   CYS  86           HG       CYS  86  -7.460   4.818   7.458
  663    H    GLU  87           HN       GLU  87  -3.335   3.815   7.627
  664    HA   GLU  87           HA       GLU  87  -3.398   2.140  10.105
  665   1HB   GLU  87          2HB       GLU  87  -4.329   1.206   7.368
  666   2HB   GLU  87          1HB       GLU  87  -4.312   0.261   8.842
  667   1HG   GLU  87          2HG       GLU  87  -6.296   1.000   9.522
  668   2HG   GLU  87          1HG       GLU  87  -5.955   2.690   9.187
  669    H    THR  88           H        THR  88  -2.160   0.127   9.803
  670    HA   THR  88           HA       THR  88  -0.150  -0.056   7.686
  671    HB   THR  88           HB       THR  88   0.567   0.480  10.595
  672    HG1  THR  88           HG1      THR  88   0.279   2.074   8.557
  673   1HG2  THR  88          1HG2      THR  88   2.332  -0.460   8.286
  674   2HG2  THR  88          2HG2      THR  88   2.938   0.215   9.811
  675   3HG2  THR  88          3HG2      THR  88   2.037  -1.307   9.816
  676    H    ILE  89           H        ILE  89  -0.992  -2.009   7.125
  677    HA   ILE  89           HA       ILE  89  -1.395  -4.115   9.204
  678    HB   ILE  89           HB       ILE  89  -2.275  -3.994   6.278
  679   1HG1  ILE  89          2HG1      ILE  89  -4.575  -4.145   7.692
  680   2HG1  ILE  89          1HG1      ILE  89  -3.626  -3.237   8.864
  681   1HG2  ILE  89          1HG2      ILE  89  -2.865  -6.029   8.469
  682   2HG2  ILE  89          2HG2      ILE  89  -1.854  -6.305   7.030
  683   3HG2  ILE  89          3HG2      ILE  89  -3.578  -6.003   6.842
  684   1HD1  ILE  89          1HD1      ILE  89  -3.206  -1.488   7.107
  685   2HD1  ILE  89          2HD1      ILE  89  -4.107  -2.473   5.937
  686   3HD1  ILE  89          3HD1      ILE  89  -4.937  -1.779   7.340
  687    H    ILE  90           H        ILE  90  -0.097  -6.032   8.999
  688    HA   ILE  90           HA       ILE  90   2.079  -5.945   6.977
  689    HB   ILE  90           HB       ILE  90   2.490  -6.358   9.972
  690   1HG1  ILE  90          1HG1      ILE  90   3.050  -3.990   8.139
  691   2HG1  ILE  90          2HG1      ILE  90   2.048  -4.021   9.600
  692   1HG2  ILE  90          1HG2      ILE  90   4.521  -6.163   7.698
  693   2HG2  ILE  90          2HG2      ILE  90   4.050  -7.673   8.495
  694   3HG2  ILE  90          3HG2      ILE  90   4.878  -6.431   9.411
  695   1HD1  ILE  90          1HD1      ILE  90   4.047  -2.899  10.168
  696   2HD1  ILE  90          2HD1      ILE  90   5.059  -4.141   9.426
  697   3HD1  ILE  90          3HD1      ILE  90   4.149  -4.504  10.924
  698    H    GLY  91           H        GLY  91   2.728  -7.919   6.274
  699   1HA   GLY  91          2HA       GLY  91   2.900 -10.256   6.256
  700   2HA   GLY  91          1HA       GLY  91   1.710 -10.402   7.558
  701    H    ALA  92           H        ALA  92   1.685 -11.935   5.107
  702    HA   ALA  92           HA       ALA  92  -0.193 -10.793   3.239
  703   1HB   ALA  92          1HB       ALA  92  -0.142 -13.092   2.276
  704   2HB   ALA  92          2HB       ALA  92   1.481 -12.446   2.574
  705   3HB   ALA  92          3HB       ALA  92   0.787 -13.651   3.681
  706    H    VAL  93           H        VAL  93  -1.760 -10.136   5.033
  707    HA   VAL  93           HA       VAL  93  -3.408 -12.281   6.103
  708    HB   VAL  93           HB       VAL  93  -4.818 -10.573   7.019
  709   1HG1  VAL  93          1HG2      VAL  93  -3.313  -8.564   5.293
  710   2HG1  VAL  93          2HG2      VAL  93  -5.028  -9.020   5.205
  711   3HG1  VAL  93          3HG2      VAL  93  -4.434  -8.165   6.619
  712   1HG2  VAL  93          1HG1      VAL  93  -3.238  -9.392   8.416
  713   2HG2  VAL  93          2HG1      VAL  93  -1.925  -9.641   7.256
  714   3HG2  VAL  93          3HG1      VAL  93  -2.625 -11.028   8.118
  715    HA   PRO  94           HA       PRO  94  -6.038 -12.910   2.641
  716   1HB   PRO  94          1HB       PRO  94  -8.426 -12.711   4.473
  717   2HB   PRO  94          2HB       PRO  94  -8.049 -13.987   3.282
  718   1HG   PRO  94          2HG       PRO  94  -7.603 -14.430   5.921
  719   2HG   PRO  94          1HG       PRO  94  -6.373 -14.920   4.717
  720   1HD   PRO  94          2HD       PRO  94  -6.392 -12.436   6.447
  721   2HD   PRO  94          1HD       PRO  94  -5.070 -13.585   6.099
  722    H    LYS  95           HN       LYS  95  -7.434 -11.985   1.166
  723    HA   LYS  95           HA       LYS  95  -7.637  -9.308   0.739
  724   1HB   LYS  95          1HB       LYS  95  -8.224 -11.155  -0.882
  725   2HB   LYS  95          2HB       LYS  95  -9.697 -11.472   0.010
  726   1HG   LYS  95          1HG       LYS  95 -10.496  -9.143  -0.492
  727   2HG   LYS  95          2HG       LYS  95  -9.053  -8.900  -1.490
  728   1HD   LYS  95          1HD       LYS  95  -9.722 -10.766  -2.950
  729   2HD   LYS  95          2HD       LYS  95 -11.139 -11.090  -1.941
  730   1HE   LYS  95          2HE       LYS  95 -10.629  -8.468  -3.433
  731   2HE   LYS  95          1HE       LYS  95 -11.663  -9.785  -4.014
  732   1HZ   LYS  95          1HZ       LYS  95 -12.920  -8.092  -2.977
  733   2HZ   LYS  95          2HZ       LYS  95 -13.056  -9.504  -2.136
  734   3HZ   LYS  95          3HZ       LYS  95 -12.117  -8.282  -1.551
  735    H    ALA  96           H        ALA  96 -10.121 -11.396   2.131
  736    HA   ALA  96           HA       ALA  96 -12.184  -9.676   2.748
  737   1HB   ALA  96          1HB       ALA  96 -11.066 -11.920   4.502
  738   2HB   ALA  96          2HB       ALA  96 -12.692 -11.221   4.627
  739   3HB   ALA  96          3HB       ALA  96 -12.224 -12.107   3.167
  740    H    THR  97           H        THR  97  -9.378 -10.363   4.950
  741    HA   THR  97           HA       THR  97 -10.037  -8.478   6.904
  742    HB   THR  97           HB       THR  97  -7.237  -9.394   6.113
  743    HG1  THR  97           HG1      THR  97  -7.855 -11.199   7.535
  744   1HG2  THR  97          1HG2      THR  97  -8.538  -8.863   8.823
  745   2HG2  THR  97          2HG2      THR  97  -7.397  -7.776   8.001
  746   3HG2  THR  97          3HG2      THR  97  -6.859  -9.373   8.545
  747    H    ILE  98           H        ILE  98  -7.781  -8.202   4.094
  748    HA   ILE  98           HA       ILE  98  -6.846  -5.578   4.614
  749    HB   ILE  98           HB       ILE  98  -7.307  -6.958   1.914
  750   1HG1  ILE  98          1HG1      ILE  98  -4.805  -6.763   3.643
  751   2HG1  ILE  98          2HG1      ILE  98  -5.822  -8.191   3.403
  752   1HG2  ILE  98          1HG2      ILE  98  -7.044  -4.443   1.713
  753   2HG2  ILE  98          2HG2      ILE  98  -5.658  -5.288   1.053
  754   3HG2  ILE  98          3HG2      ILE  98  -5.552  -4.552   2.662
  755   1HD1  ILE  98          1HD1      ILE  98  -3.922  -8.448   2.015
  756   2HD1  ILE  98          2HD1      ILE  98  -5.333  -8.171   0.978
  757   3HD1  ILE  98          3HD1      ILE  98  -4.149  -6.871   1.257
  758    H    VAL  99           H        VAL  99  -9.503  -6.591   2.473
  759    HA   VAL  99           HA       VAL  99 -10.464  -4.050   1.739
  760    HB   VAL  99           HB       VAL  99 -11.799  -6.788   1.922
  761   1HG1  VAL  99          1HG1      VAL  99 -12.885  -4.160   0.858
  762   2HG1  VAL  99          2HG1      VAL  99 -13.638  -5.224   2.060
  763   3HG1  VAL  99          3HG1      VAL  99 -13.533  -5.745   0.377
  764   1HG2  VAL  99          1HG2      VAL  99 -11.550  -6.655  -0.555
  765   2HG2  VAL  99          2HG2      VAL  99  -9.979  -6.550   0.252
  766   3HG2  VAL  99          3HG2      VAL  99 -10.748  -5.085  -0.389
  767    H    GLN 100           H        GLN 100 -11.810  -6.267   4.279
  768    HA   GLN 100           HA       GLN 100 -13.797  -4.552   5.237
  769   1HB   GLN 100          1HB       GLN 100 -12.034  -6.603   6.638
  770   2HB   GLN 100          2HB       GLN 100 -13.366  -5.769   7.458
  771   1HG   GLN 100          2HG       GLN 100 -15.008  -6.660   6.017
  772   2HG   GLN 100          1HG       GLN 100 -13.836  -7.231   4.833
  773   1HE2  GLN 100          1HE2      GLN 100 -13.785  -7.631   8.430
  774   2HE2  GLN 100          2HE2      GLN 100 -13.819  -9.385   8.354
  775    H    THR 101           H        THR 101 -10.356  -4.712   6.242
  776    HA   THR 101           HA       THR 101 -10.648  -2.785   8.343
  777    HB   THR 101           HB       THR 101  -8.124  -3.490   6.777
  778    HG1  THR 101           HG1      THR 101  -9.039  -5.345   7.622
  779   1HG2  THR 101          1HG2      THR 101  -6.993  -2.900   8.894
  780   2HG2  THR 101          2HG2      THR 101  -8.550  -2.471   9.630
  781   3HG2  THR 101          3HG2      THR 101  -7.904  -1.507   8.288
  782    H    VAL 102           H        VAL 102  -9.303  -2.377   4.943
  783    HA   VAL 102           HA       VAL 102  -9.021   0.432   5.424
  784    HB   VAL 102           HB       VAL 102  -7.939  -1.052   3.680
  785   1HG1  VAL 102          1HG2      VAL 102  -7.632   1.456   3.932
  786   2HG1  VAL 102          2HG2      VAL 102  -7.546   0.974   2.233
  787   3HG1  VAL 102          3HG2      VAL 102  -9.020   1.715   2.869
  788   1HG2  VAL 102          1HG1      VAL 102  -9.907  -1.865   2.501
  789   2HG2  VAL 102          2HG1      VAL 102  -8.771  -1.021   1.434
  790   3HG2  VAL 102          3HG1      VAL 102 -10.264  -0.206   1.937
  791    H    GLU 103           HN       GLU 103 -11.560  -1.413   3.869
  792    HA   GLU 103           HA       GLU 103 -13.277   0.575   2.933
  793   1HB   GLU 103          1HB       GLU 103 -13.516  -1.898   2.656
  794   2HB   GLU 103          2HB       GLU 103 -14.132  -2.025   4.302
  795   1HG   GLU 103          1HG       GLU 103 -16.071  -0.615   3.693
  796   2HG   GLU 103          2HG       GLU 103 -15.399  -0.366   2.072
  797    H    LYS 104           HN       LYS 104 -13.276  -0.929   6.138
  798    HA   LYS 104           HA       LYS 104 -15.285   0.589   7.431
  799   1HB   LYS 104          2HB       LYS 104 -14.301  -1.241   8.603
  800   2HB   LYS 104          1HB       LYS 104 -12.675  -0.626   8.353
  801   1HG   LYS 104          1HG       LYS 104 -13.327   1.357   9.919
  802   2HG   LYS 104          2HG       LYS 104 -14.683   0.337  10.384
  803   1HD   LYS 104          1HD       LYS 104 -11.679  -0.280  10.456
  804   2HD   LYS 104          2HD       LYS 104 -12.670   0.139  11.851
  805   1HE   LYS 104          2HE       LYS 104 -12.893  -2.407  10.160
  806   2HE   LYS 104          1HE       LYS 104 -12.248  -2.279  11.800
  807   1HZ   LYS 104          1HZ       LYS 104 -14.419  -1.586  12.536
  808   2HZ   LYS 104          2HZ       LYS 104 -14.480  -3.067  11.814
  809   3HZ   LYS 104          3HZ       LYS 104 -15.020  -1.737  11.007
  810    H    TYR 105           H        TYR 105 -11.823   1.326   6.988
  811    HA   TYR 105           HA       TYR 105 -11.967   3.811   8.482
  812   1HB   TYR 105          1HB       TYR 105  -9.863   2.222   6.997
  813   2HB   TYR 105          2HB       TYR 105  -9.595   3.908   7.380
  814    HD1  TYR 105           HD1      TYR 105  -9.353   0.587   8.713
  815    HD2  TYR 105           HD2      TYR 105  -9.692   4.751   9.679
  816    HE1  TYR 105           HE1      TYR 105  -8.452   0.117  10.959
  817    HE2  TYR 105           HE2      TYR 105  -8.635   4.321  11.888
  818    HH   TYR 105           HH       TYR 105  -7.745   2.723  13.298
  819    H    LEU 106           H        LEU 106 -10.811   3.289   5.220
  820    HA   LEU 106           HA       LEU 106  -9.804   5.057   4.002
  821   1HB   LEU 106          1HB       LEU 106 -11.546   5.210   2.085
  822   2HB   LEU 106          2HB       LEU 106 -10.738   3.711   2.506
  823    HG   LEU 106           HG       LEU 106 -12.700   2.836   3.580
  824   1HD1  LEU 106          1HD1      LEU 106 -12.333   2.526   1.163
  825   2HD1  LEU 106          2HD1      LEU 106 -14.063   2.587   1.541
  826   3HD1  LEU 106          3HD1      LEU 106 -13.260   4.003   0.831
  827   1HD2  LEU 106          1HD2      LEU 106 -14.917   4.002   3.257
  828   2HD2  LEU 106          2HD2      LEU 106 -14.001   5.499   2.967
  829   3HD2  LEU 106          3HD2      LEU 106 -13.892   4.632   4.530
  830    H    ASN 107           H        ASN 107 -12.953   6.186   5.044
  831    HA   ASN 107           HA       ASN 107 -14.062   8.169   4.811
  832   1HB   ASN 107          1HB       ASN 107 -13.022  10.019   5.879
  833   2HB   ASN 107          2HB       ASN 107 -12.530   8.548   6.709
  834   1HD2  ASN 107          1HD2      ASN 107 -11.359  10.598   4.007
  835   2HD2  ASN 107          2HD2      ASN 107  -9.679  10.707   4.576
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   0.157  -3.276 -11.984
    2   2H    MET   1          2H        MET   1  -1.294  -3.373 -11.175
    3   3H    MET   1          3H        MET   1  -0.578  -1.925 -11.343
    4    HA   MET   1           HA       MET   1  -0.831  -1.990 -13.708
    5   1HB   MET   1          1HB       MET   1  -0.875  -4.390 -14.042
    6   2HB   MET   1          2HB       MET   1  -2.331  -4.582 -13.068
    7   1HG   MET   1          2HG       MET   1  -2.778  -4.694 -15.495
    8   2HG   MET   1          1HG       MET   1  -3.657  -3.373 -14.732
    9   1HE   MET   1          1HE       MET   1  -3.643  -3.412 -17.737
   10   2HE   MET   1          2HE       MET   1  -3.119  -1.766 -18.166
   11   3HE   MET   1          3HE       MET   1  -4.238  -2.012 -16.806
   12    H    GLU   2           HN       GLU   2  -3.793  -3.338 -12.070
   13    HA   GLU   2           HA       GLU   2  -5.256  -0.892 -12.496
   14   1HB   GLU   2          1HB       GLU   2  -5.698  -3.113 -10.466
   15   2HB   GLU   2          2HB       GLU   2  -6.869  -1.866 -10.914
   16   1HG   GLU   2          2HG       GLU   2  -7.054  -2.745 -13.167
   17   2HG   GLU   2          1HG       GLU   2  -5.777  -3.935 -12.871
   18    H    ALA   3           H        ALA   3  -3.309  -2.252  -9.870
   19    HA   ALA   3           HA       ALA   3  -3.473   0.239  -8.259
   20   1HB   ALA   3          1HB       ALA   3  -1.948  -1.000  -6.735
   21   2HB   ALA   3          2HB       ALA   3  -3.450  -1.890  -7.035
   22   3HB   ALA   3          3HB       ALA   3  -1.951  -2.370  -7.865
   23    H    GLY   4           H        GLY   4  -1.617   1.618  -8.051
   24   1HA   GLY   4          1HA       GLY   4   0.113   1.643 -10.420
   25   2HA   GLY   4          2HA       GLY   4   0.116   2.792  -9.078
   26    H    ALA   5           H        ALA   5   2.517   2.028 -10.072
   27    HA   ALA   5           HA       ALA   5   3.691   0.238  -7.986
   28   1HB   ALA   5          1HB       ALA   5   3.972  -0.747 -10.229
   29   2HB   ALA   5          2HB       ALA   5   4.660   0.781 -10.826
   30   3HB   ALA   5          3HB       ALA   5   5.519  -0.158  -9.586
   31    H    VAL   6           H        VAL   6   5.150   1.374  -6.675
   32    HA   VAL   6           HA       VAL   6   6.035   4.076  -7.598
   33    HB   VAL   6           HB       VAL   6   5.745   4.759  -5.119
   34   1HG1  VAL   6          1HG1      VAL   6   5.142   2.547  -4.223
   35   2HG1  VAL   6          2HG1      VAL   6   3.906   3.764  -3.888
   36   3HG1  VAL   6          3HG1      VAL   6   3.639   2.556  -5.158
   37   1HG2  VAL   6          1HG2      VAL   6   3.364   4.486  -6.958
   38   2HG2  VAL   6          2HG2      VAL   6   4.517   5.829  -6.859
   39   3HG2  VAL   6          3HG2      VAL   6   3.439   5.504  -5.494
   40    H    ASN   7           H        ASN   7   7.738   4.930  -6.382
   41    HA   ASN   7           HA       ASN   7   9.486   3.112  -4.901
   42   1HB   ASN   7          1HB       ASN   7  10.195   4.482  -7.543
   43   2HB   ASN   7          2HB       ASN   7  11.445   4.073  -6.377
   44   1HD2  ASN   7          1HD2      ASN   7  11.312   1.748  -5.476
   45   2HD2  ASN   7          2HD2      ASN   7  11.106   0.519  -6.738
   46    H    ASP   8           HN       ASP   8  11.418   4.603  -4.220
   47    HA   ASP   8           HA       ASP   8  10.648   6.393  -2.349
   48   1HB   ASP   8          2HB       ASP   8  12.982   5.677  -2.722
   49   2HB   ASP   8          1HB       ASP   8  13.114   6.711  -4.134
   50    H    ASP   9           HN       ASP   9  11.676   7.463  -5.541
   51    HA   ASP   9           HA       ASP   9  11.228  10.208  -5.310
   52   1HB   ASP   9          1HB       ASP   9  11.460  10.241  -7.709
   53   2HB   ASP   9          2HB       ASP   9  12.547   9.024  -7.043
   54    H    THR  10           H        THR  10   9.141   7.849  -6.855
   55    HA   THR  10           HA       THR  10   7.028   9.666  -7.569
   56    HB   THR  10           HB       THR  10   5.854   7.327  -7.911
   57    HG1  THR  10           HG1      THR  10   8.568   6.482  -7.864
   58   1HG2  THR  10          1HG2      THR  10   7.126   6.989 -10.011
   59   2HG2  THR  10          2HG2      THR  10   6.705   8.692  -9.752
   60   3HG2  THR  10          3HG2      THR  10   8.361   8.134  -9.448
   61    H    PHE  11           H        PHE  11   7.411   7.272  -5.006
   62    HA   PHE  11           HA       PHE  11   5.032   7.139  -3.712
   63   1HB   PHE  11          1HB       PHE  11   7.093   6.001  -3.073
   64   2HB   PHE  11          2HB       PHE  11   7.802   7.483  -2.513
   65    HD1  PHE  11           HD1      PHE  11   6.978   8.599  -0.431
   66    HD2  PHE  11           HD2      PHE  11   5.683   4.667  -1.641
   67    HE1  PHE  11           HE1      PHE  11   6.406   8.074   1.898
   68    HE2  PHE  11           HE2      PHE  11   5.010   4.179   0.680
   69    HZ   PHE  11           HZ       PHE  11   5.347   5.886   2.472
   70    H    LYS  12           HN       LYS  12   7.457   9.614  -3.138
   71    HA   LYS  12           HA       LYS  12   6.259  11.251  -1.235
   72   1HB   LYS  12          2HB       LYS  12   7.546  12.386  -3.758
   73   2HB   LYS  12          1HB       LYS  12   7.388  13.174  -2.199
   74   1HG   LYS  12          1HG       LYS  12   9.096  10.743  -2.832
   75   2HG   LYS  12          2HG       LYS  12   9.677  12.382  -2.585
   76   1HD   LYS  12          1HD       LYS  12   8.941  12.295  -0.213
   77   2HD   LYS  12          2HD       LYS  12   8.332  10.644  -0.461
   78   1HE   LYS  12          2HE       LYS  12  10.615   9.888  -1.110
   79   2HE   LYS  12          1HE       LYS  12  11.235  11.518  -0.802
   80   1HZ   LYS  12          1HZ       LYS  12  11.584  10.057   1.039
   81   2HZ   LYS  12          2HZ       LYS  12   9.973   9.756   1.181
   82   3HZ   LYS  12          3HZ       LYS  12  10.558  11.269   1.477
   83    H    ASN  13           H        ASN  13   5.645  11.416  -4.751
   84    HA   ASN  13           HA       ASN  13   3.611  13.488  -4.424
   85   1HB   ASN  13          2HB       ASN  13   5.130  13.117  -6.471
   86   2HB   ASN  13          1HB       ASN  13   4.103  11.790  -6.924
   87   1HD2  ASN  13          1HD2      ASN  13   4.070  15.259  -6.052
   88   2HD2  ASN  13          2HD2      ASN  13   2.672  15.666  -7.045
   89    H    VAL  14           H        VAL  14   3.687  10.140  -5.580
   90    HA   VAL  14           HA       VAL  14   0.978  10.013  -6.121
   91    HB   VAL  14           HB       VAL  14   3.080   7.847  -5.650
   92   1HG1  VAL  14          1HG1      VAL  14   1.887   9.007  -8.209
   93   2HG1  VAL  14          2HG1      VAL  14   3.503   9.369  -7.578
   94   3HG1  VAL  14          3HG1      VAL  14   3.120   7.734  -8.123
   95   1HG2  VAL  14          1HG2      VAL  14   1.589   6.322  -6.991
   96   2HG2  VAL  14          2HG2      VAL  14   0.958   6.685  -5.381
   97   3HG2  VAL  14          3HG2      VAL  14   0.284   7.505  -6.810
   98    H    VAL  15           H        VAL  15   2.803   9.000  -3.250
   99    HA   VAL  15           HA       VAL  15   0.407   7.895  -1.935
  100    HB   VAL  15           HB       VAL  15   3.323   7.860  -1.036
  101   1HG1  VAL  15          1HG1      VAL  15   2.664   6.195   0.529
  102   2HG1  VAL  15          2HG1      VAL  15   0.974   6.243  -0.026
  103   3HG1  VAL  15          3HG1      VAL  15   1.691   7.631   0.814
  104   1HG2  VAL  15          1HG2      VAL  15   3.295   5.512  -1.781
  105   2HG2  VAL  15          2HG2      VAL  15   3.003   6.587  -3.151
  106   3HG2  VAL  15          3HG2      VAL  15   1.651   5.720  -2.412
  107    H    LEU  16           H        LEU  16   3.092  10.192  -1.028
  108    HA   LEU  16           HA       LEU  16   1.554  10.961   1.326
  109   1HB   LEU  16          1HB       LEU  16   3.901  12.511   0.200
  110   2HB   LEU  16          2HB       LEU  16   3.247  12.520   1.822
  111    HG   LEU  16           HG       LEU  16   4.664  10.174   0.475
  112   1HD1  LEU  16          1HD1      LEU  16   5.455  11.980   2.796
  113   2HD1  LEU  16          2HD1      LEU  16   6.407  10.627   2.144
  114   3HD1  LEU  16          3HD1      LEU  16   6.115  12.067   1.149
  115   1HD2  LEU  16          1HD2      LEU  16   3.480  10.429   3.276
  116   2HD2  LEU  16          2HD2      LEU  16   4.552   9.124   2.753
  117   3HD2  LEU  16          3HD2      LEU  16   2.964   9.295   2.008
  118    H    GLU  17           HN       GLU  17   2.487  12.952  -1.568
  119    HA   GLU  17           HA       GLU  17   0.442  14.930  -0.811
  120   1HB   GLU  17          1HB       GLU  17   2.158  14.826  -3.316
  121   2HB   GLU  17          2HB       GLU  17   1.287  16.213  -2.660
  122   1HG   GLU  17          1HG       GLU  17   3.709  14.833  -1.407
  123   2HG   GLU  17          2HG       GLU  17   3.638  16.446  -2.110
  124    H    SER  18           H        SER  18  -0.989  12.759  -1.025
  125    HA   SER  18           HA       SER  18  -2.165  12.429  -3.700
  126   1HB   SER  18          1HB       SER  18  -3.534  10.739  -2.297
  127   2HB   SER  18          2HB       SER  18  -1.803  10.421  -2.513
  128    HG   SER  18           HG       SER  18  -1.469  10.728  -0.451
  129    H    SER  19           H        SER  19  -4.468  12.731  -4.040
  130    HA   SER  19           HA       SER  19  -5.648  14.993  -2.574
  131   1HB   SER  19          2HB       SER  19  -7.380  14.607  -4.444
  132   2HB   SER  19          1HB       SER  19  -5.753  15.108  -4.953
  133    HG   SER  19           HG       SER  19  -6.453  13.315  -6.185
  134    H    VAL  20           H        VAL  20  -6.932  11.981  -3.868
  135    HA   VAL  20           HA       VAL  20  -8.744  11.574  -1.580
  136    HB   VAL  20           HB       VAL  20  -9.481   9.574  -2.840
  137   1HG1  VAL  20          1HG2      VAL  20  -8.676   9.076  -5.077
  138   2HG1  VAL  20          2HG2      VAL  20  -7.431  10.330  -4.965
  139   3HG1  VAL  20          3HG2      VAL  20  -7.360   8.900  -3.914
  140   1HG2  VAL  20          1HG1      VAL  20 -10.483  11.793  -3.302
  141   2HG2  VAL  20          2HG1      VAL  20 -10.491  10.739  -4.727
  142   3HG2  VAL  20          3HG1      VAL  20  -9.305  12.051  -4.607
  143    HA   PRO  21           HA       PRO  21  -6.167   8.902   0.790
  144   1HB   PRO  21          2HB       PRO  21  -8.314   6.780   0.418
  145   2HB   PRO  21          1HB       PRO  21  -7.360   7.118   1.884
  146   1HG   PRO  21          1HG       PRO  21  -9.829   8.165   1.637
  147   2HG   PRO  21          2HG       PRO  21  -8.508   9.243   2.178
  148   1HD   PRO  21          1HD       PRO  21  -9.758   9.051  -0.564
  149   2HD   PRO  21          2HD       PRO  21  -9.203  10.487   0.335
  150    H    VAL  22           H        VAL  22  -5.002   6.838   0.857
  151    HA   VAL  22           HA       VAL  22  -4.497   5.583  -1.786
  152    HB   VAL  22           HB       VAL  22  -2.413   6.519   0.194
  153   1HG1  VAL  22          1HG2      VAL  22  -1.783   4.712  -1.430
  154   2HG1  VAL  22          2HG2      VAL  22  -0.829   6.181  -1.514
  155   3HG1  VAL  22          3HG2      VAL  22  -2.060   5.881  -2.733
  156   1HG2  VAL  22          1HG1      VAL  22  -3.431   8.027  -2.248
  157   2HG2  VAL  22          2HG1      VAL  22  -3.415   8.586  -0.561
  158   3HG2  VAL  22          3HG1      VAL  22  -1.895   8.358  -1.428
  159    H    LEU  23           H        LEU  23  -3.644   3.465  -1.652
  160    HA   LEU  23           HA       LEU  23  -3.219   2.209   1.027
  161   1HB   LEU  23          2HB       LEU  23  -5.355   1.442   0.066
  162   2HB   LEU  23          1HB       LEU  23  -4.578   0.871  -1.382
  163    HG   LEU  23           HG       LEU  23  -3.838  -0.104   1.405
  164   1HD1  LEU  23          1HD2      LEU  23  -3.375  -1.257  -1.395
  165   2HD1  LEU  23          2HD2      LEU  23  -3.151  -2.205   0.079
  166   3HD1  LEU  23          3HD2      LEU  23  -2.126  -0.814  -0.212
  167   1HD2  LEU  23          1HD1      LEU  23  -5.887  -1.282  -0.502
  168   2HD2  LEU  23          2HD1      LEU  23  -6.174  -0.603   1.123
  169   3HD2  LEU  23          3HD1      LEU  23  -5.262  -2.096   0.947
  170    H    VAL  24           H        VAL  24  -0.900   2.164   0.880
  171    HA   VAL  24           HA       VAL  24   0.208   1.184  -1.747
  172    HB   VAL  24           HB       VAL  24   1.059   3.299  -1.448
  173   1HG1  VAL  24          1HG2      VAL  24   1.594   2.571   1.429
  174   2HG1  VAL  24          2HG2      VAL  24   0.523   3.847   0.805
  175   3HG1  VAL  24          3HG2      VAL  24   2.283   3.986   0.618
  176   1HG2  VAL  24          1HG1      VAL  24   3.429   2.916  -1.247
  177   2HG2  VAL  24          2HG1      VAL  24   2.702   1.505  -2.040
  178   3HG2  VAL  24          3HG1      VAL  24   3.184   1.421  -0.330
  179    H    ASP  25           HN       ASP  25   0.906  -0.839  -1.759
  180    HA   ASP  25           HA       ASP  25   1.342  -2.277   0.809
  181   1HB   ASP  25          2HB       ASP  25  -0.109  -3.410  -0.774
  182   2HB   ASP  25          1HB       ASP  25   1.110  -3.249  -2.045
  183    H    PHE  26           H        PHE  26   3.385  -2.236   1.593
  184    HA   PHE  26           HA       PHE  26   5.676  -1.661  -0.182
  185   1HB   PHE  26          2HB       PHE  26   5.386  -2.210   2.781
  186   2HB   PHE  26          1HB       PHE  26   6.933  -2.047   1.979
  187    HD1  PHE  26           HD1      PHE  26   3.643  -0.131   2.225
  188    HD2  PHE  26           HD2      PHE  26   7.953   0.078   1.938
  189    HE1  PHE  26           HE1      PHE  26   3.580   2.259   2.744
  190    HE2  PHE  26           HE2      PHE  26   7.860   2.470   2.578
  191    HZ   PHE  26           HZ       PHE  26   5.651   3.466   3.263
  192    H    TRP  27           H        TRP  27   6.169  -3.327  -1.517
  193    HA   TRP  27           HA       TRP  27   6.000  -6.142  -0.499
  194   1HB   TRP  27          2HB       TRP  27   5.328  -6.839  -2.686
  195   2HB   TRP  27          1HB       TRP  27   4.287  -5.500  -2.257
  196    HD1  TRP  27           HD1      TRP  27   5.148  -3.079  -3.418
  197    HE1  TRP  27           HE1      TRP  27   6.382  -2.595  -5.646
  198    HE3  TRP  27           HE3      TRP  27   6.469  -7.867  -4.686
  199    HZ2  TRP  27           HZ2      TRP  27   7.967  -4.091  -7.538
  200    HZ3  TRP  27           HZ3      TRP  27   7.701  -8.296  -6.760
  201    HH2  TRP  27           HH2      TRP  27   8.455  -6.425  -8.203
  202    H    ALA  28           H        ALA  28   7.283  -7.446  -2.456
  203    HA   ALA  28           HA       ALA  28   9.514  -6.212  -3.620
  204   1HB   ALA  28          1HB       ALA  28  10.189  -7.917  -1.177
  205   2HB   ALA  28          2HB       ALA  28  10.529  -6.174  -1.342
  206   3HB   ALA  28          3HB       ALA  28  11.353  -7.340  -2.383
  207    HA   PRO  29           HA       PRO  29   8.937  -9.992  -5.907
  208   1HB   PRO  29          1HB       PRO  29  11.517 -10.525  -6.808
  209   2HB   PRO  29          2HB       PRO  29  10.351  -9.374  -7.542
  210   1HG   PRO  29          1HG       PRO  29  12.586  -8.762  -5.577
  211   2HG   PRO  29          2HG       PRO  29  12.188  -7.896  -7.092
  212   1HD   PRO  29          2HD       PRO  29  11.286  -6.872  -4.788
  213   2HD   PRO  29          1HD       PRO  29  10.171  -7.023  -6.134
  214    H    TRP  30           H        TRP  30  11.692  -9.983  -3.584
  215    HA   TRP  30           HA       TRP  30  11.677 -12.884  -3.343
  216   1HB   TRP  30          2HB       TRP  30  13.085 -12.424  -1.335
  217   2HB   TRP  30          1HB       TRP  30  13.692 -11.777  -2.852
  218    HD1  TRP  30           HD1      TRP  30  14.294  -9.323  -2.944
  219    HE1  TRP  30           HE1      TRP  30  14.236  -7.340  -1.341
  220    HE3  TRP  30           HE3      TRP  30  11.490 -11.411   0.810
  221    HZ2  TRP  30           HZ2      TRP  30  13.018  -6.687   1.198
  222    HZ3  TRP  30           HZ3      TRP  30  10.885 -10.070   2.796
  223    HH2  TRP  30           HH2      TRP  30  11.574  -7.695   2.970
  224    H    CYS  31           H        CYS  31   9.531 -10.418  -2.155
  225    HA   CYS  31           HA       CYS  31   8.907 -11.885   0.349
  226   1HB   CYS  31          2HB       CYS  31   8.850  -9.493   0.458
  227   2HB   CYS  31          1HB       CYS  31   7.681  -9.404  -0.866
  228    H    GLY  32           H        GLY  32   8.431 -13.855  -0.771
  229   1HA   GLY  32          2HA       GLY  32   6.643 -14.572  -2.620
  230   2HA   GLY  32          1HA       GLY  32   6.714 -15.449  -1.091
  231    HA   PRO  33           HA       PRO  33   2.692 -14.317   0.207
  232   1HB   PRO  33          1HB       PRO  33   3.629 -12.275   2.213
  233   2HB   PRO  33          2HB       PRO  33   2.448 -13.601   2.409
  234   1HG   PRO  33          1HG       PRO  33   4.960 -13.880   3.363
  235   2HG   PRO  33          2HG       PRO  33   4.199 -15.236   2.474
  236   1HD   PRO  33          1HD       PRO  33   6.156 -13.193   1.406
  237   2HD   PRO  33          2HD       PRO  33   6.165 -14.969   1.182
  238    H    CYS  34           H        CYS  34   4.694 -11.380   0.103
  239    HA   CYS  34           HA       CYS  34   2.613  -9.491  -0.426
  240   1HB   CYS  34          2HB       CYS  34   5.429  -9.261  -1.564
  241   2HB   CYS  34          1HB       CYS  34   4.232  -8.017  -1.224
  242    H    ARG  35           HN       ARG  35   4.823 -11.322  -2.530
  243    HA   ARG  35           HA       ARG  35   3.948 -10.349  -5.016
  244   1HB   ARG  35          1HB       ARG  35   5.988 -11.797  -4.268
  245   2HB   ARG  35          2HB       ARG  35   4.969 -13.191  -4.603
  246   1HG   ARG  35          2HG       ARG  35   4.739 -12.554  -6.940
  247   2HG   ARG  35          1HG       ARG  35   5.469 -10.962  -6.630
  248   1HD   ARG  35          1HD       ARG  35   7.553 -12.028  -5.921
  249   2HD   ARG  35          2HD       ARG  35   6.907 -13.632  -6.321
  250    HE   ARG  35           HE       ARG  35   6.581 -12.204  -8.646
  251   1HH1  ARG  35          2HH1      ARG  35   9.387 -12.764  -6.527
  252   2HH1  ARG  35          1HH1      ARG  35  10.515 -12.878  -7.848
  253   1HH2  ARG  35          1HH2      ARG  35   8.089 -12.228 -10.349
  254   2HH2  ARG  35          2HH2      ARG  35   9.784 -12.491 -10.044
  255    H    ILE  36           H        ILE  36   2.925 -13.340  -3.280
  256    HA   ILE  36           HA       ILE  36   0.964 -13.922  -5.370
  257    HB   ILE  36           HB       ILE  36   0.238 -15.789  -4.029
  258   1HG1  ILE  36          2HG1      ILE  36   1.808 -16.243  -1.930
  259   2HG1  ILE  36          1HG1      ILE  36   1.819 -14.490  -1.825
  260   1HG2  ILE  36          1HG2      ILE  36   2.326 -17.017  -4.085
  261   2HG2  ILE  36          2HG2      ILE  36   2.280 -15.892  -5.448
  262   3HG2  ILE  36          3HG2      ILE  36   3.276 -15.523  -4.026
  263   1HD1  ILE  36          1HD1      ILE  36  -0.592 -16.367  -1.787
  264   2HD1  ILE  36          2HD1      ILE  36  -0.749 -14.604  -1.791
  265   3HD1  ILE  36          3HD1      ILE  36   0.036 -15.419  -0.426
  266    H    ILE  37           H        ILE  37   0.777 -11.933  -2.442
  267    HA   ILE  37           HA       ILE  37  -2.158 -11.798  -2.587
  268    HB   ILE  37           HB       ILE  37  -0.085 -10.216  -1.023
  269   1HG1  ILE  37          2HG1      ILE  37  -2.152 -12.239  -0.024
  270   2HG1  ILE  37          1HG1      ILE  37  -0.533 -12.731  -0.492
  271   1HG2  ILE  37          1HG2      ILE  37  -2.024  -9.385   0.322
  272   2HG2  ILE  37          2HG2      ILE  37  -3.137 -10.191  -0.797
  273   3HG2  ILE  37          3HG2      ILE  37  -2.127  -8.839  -1.333
  274   1HD1  ILE  37          1HD1      ILE  37  -0.578 -12.451   1.882
  275   2HD1  ILE  37          2HD1      ILE  37  -1.191 -10.797   1.756
  276   3HD1  ILE  37          3HD1      ILE  37   0.447 -11.180   1.189
  277    H    ALA  38           H        ALA  38   0.597  -9.995  -3.882
  278    HA   ALA  38           HA       ALA  38  -0.274  -7.592  -4.613
  279   1HB   ALA  38          1HB       ALA  38   1.936  -8.582  -5.205
  280   2HB   ALA  38          2HB       ALA  38   1.199  -7.651  -6.515
  281   3HB   ALA  38          3HB       ALA  38   1.166  -9.414  -6.577
  282    HA   PRO  39           HA       PRO  39  -2.640  -9.009  -8.579
  283   1HB   PRO  39          2HB       PRO  39  -3.912 -11.565  -7.647
  284   2HB   PRO  39          1HB       PRO  39  -3.296 -11.147  -9.270
  285   1HG   PRO  39          2HG       PRO  39  -1.880 -12.825  -7.662
  286   2HG   PRO  39          1HG       PRO  39  -1.020 -11.536  -8.567
  287   1HD   PRO  39          1HD       PRO  39  -2.071 -11.416  -5.730
  288   2HD   PRO  39          2HD       PRO  39  -0.412 -11.108  -6.255
  289    H    VAL  40           H        VAL  40  -3.773  -9.982  -5.284
  290    HA   VAL  40           HA       VAL  40  -6.408  -9.069  -6.004
  291    HB   VAL  40           HB       VAL  40  -6.686  -9.121  -3.391
  292   1HG1  VAL  40          1HG2      VAL  40  -7.276 -11.683  -3.738
  293   2HG1  VAL  40          2HG2      VAL  40  -6.440 -11.569  -5.289
  294   3HG1  VAL  40          3HG2      VAL  40  -7.932 -10.655  -5.015
  295   1HG2  VAL  40          1HG1      VAL  40  -5.701 -10.794  -2.213
  296   2HG2  VAL  40          2HG1      VAL  40  -4.632  -9.460  -2.635
  297   3HG2  VAL  40          3HG1      VAL  40  -4.502 -11.044  -3.498
  298    H    VAL  41           H        VAL  41  -3.492  -7.842  -4.268
  299    HA   VAL  41           HA       VAL  41  -4.510  -5.355  -3.332
  300    HB   VAL  41           HB       VAL  41  -1.789  -5.730  -4.668
  301   1HG1  VAL  41          1HG1      VAL  41  -1.993  -7.346  -2.883
  302   2HG1  VAL  41          2HG1      VAL  41  -0.927  -6.051  -2.356
  303   3HG1  VAL  41          3HG1      VAL  41  -2.601  -6.115  -1.756
  304   1HG2  VAL  41          1HG2      VAL  41  -2.330  -3.380  -4.400
  305   2HG2  VAL  41          2HG2      VAL  41  -1.128  -3.836  -3.197
  306   3HG2  VAL  41          3HG2      VAL  41  -2.823  -3.642  -2.712
  307    H    ASP  42           HN       ASP  42  -3.389  -6.366  -6.571
  308    HA   ASP  42           HA       ASP  42  -3.844  -3.901  -7.877
  309   1HB   ASP  42          2HB       ASP  42  -2.693  -6.154  -8.701
  310   2HB   ASP  42          1HB       ASP  42  -4.307  -6.510  -9.324
  311    H    GLU  43           HN       GLU  43  -6.028  -6.804  -7.795
  312    HA   GLU  43           HA       GLU  43  -8.125  -5.511  -9.140
  313   1HB   GLU  43          1HB       GLU  43  -9.376  -7.330  -8.767
  314   2HB   GLU  43          2HB       GLU  43  -7.782  -8.004  -8.439
  315   1HG   GLU  43          2HG       GLU  43  -8.362  -7.566  -5.912
  316   2HG   GLU  43          1HG       GLU  43  -9.987  -7.190  -6.480
  317    H    ILE  44           H        ILE  44  -7.536  -5.572  -5.580
  318    HA   ILE  44           HA       ILE  44  -9.793  -4.207  -4.696
  319    HB   ILE  44           HB       ILE  44  -6.883  -4.063  -3.836
  320   1HG1  ILE  44          2HG1      ILE  44  -9.359  -5.305  -2.545
  321   2HG1  ILE  44          1HG1      ILE  44  -8.225  -6.205  -3.522
  322   1HG2  ILE  44          1HG2      ILE  44  -7.926  -1.929  -3.145
  323   2HG2  ILE  44          2HG2      ILE  44  -7.628  -2.958  -1.761
  324   3HG2  ILE  44          3HG2      ILE  44  -9.275  -2.837  -2.415
  325   1HD1  ILE  44          1HD1      ILE  44  -7.508  -6.618  -1.314
  326   2HD1  ILE  44          2HD1      ILE  44  -7.721  -4.944  -0.808
  327   3HD1  ILE  44          3HD1      ILE  44  -6.380  -5.393  -1.890
  328    H    ALA  45           H        ALA  45  -7.034  -2.869  -6.544
  329    HA   ALA  45           HA       ALA  45  -7.616  -0.111  -6.155
  330   1HB   ALA  45          1HB       ALA  45  -6.240   0.258  -8.054
  331   2HB   ALA  45          2HB       ALA  45  -5.587  -1.236  -7.327
  332   3HB   ALA  45          3HB       ALA  45  -6.623  -1.318  -8.752
  333    H    GLY  46           H        GLY  46  -8.954  -2.565  -8.448
  334   1HA   GLY  46          1HA       GLY  46 -10.416  -0.646 -10.071
  335   2HA   GLY  46          2HA       GLY  46 -10.624  -2.410 -10.012
  336    H    GLU  47           HN       GLU  47 -11.039  -2.814  -7.311
  337    HA   GLU  47           HA       GLU  47 -13.809  -2.361  -7.061
  338   1HB   GLU  47          2HB       GLU  47 -11.801  -2.967  -4.849
  339   2HB   GLU  47          1HB       GLU  47 -13.545  -3.143  -4.767
  340   1HG   GLU  47          2HG       GLU  47 -13.269  -4.734  -6.831
  341   2HG   GLU  47          1HG       GLU  47 -11.562  -4.721  -6.460
  342    H    TYR  48           H        TYR  48 -11.176  -0.554  -5.490
  343    HA   TYR  48           HA       TYR  48 -13.212   1.519  -4.610
  344   1HB   TYR  48          2HB       TYR  48 -10.656   0.580  -3.267
  345   2HB   TYR  48          1HB       TYR  48 -11.703   1.859  -2.661
  346    HD1  TYR  48           HD1      TYR  48 -13.951   1.403  -1.768
  347    HD2  TYR  48           HD2      TYR  48 -11.297  -1.761  -2.983
  348    HE1  TYR  48           HE1      TYR  48 -15.398  -0.248  -0.622
  349    HE2  TYR  48           HE2      TYR  48 -12.823  -3.433  -1.954
  350    HH   TYR  48           HH       TYR  48 -15.581  -2.482   0.052
  351    H    LYS  49           HN       LYS  49 -11.035   1.485  -7.005
  352    HA   LYS  49           HA       LYS  49  -9.130   3.228  -6.807
  353   1HB   LYS  49          1HB       LYS  49 -10.322   2.217  -8.992
  354   2HB   LYS  49          2HB       LYS  49 -11.113   3.770  -9.052
  355   1HG   LYS  49          1HG       LYS  49  -9.226   3.925 -10.458
  356   2HG   LYS  49          2HG       LYS  49  -8.804   4.852  -9.010
  357   1HD   LYS  49          2HD       LYS  49  -7.465   2.884  -8.179
  358   2HD   LYS  49          1HD       LYS  49  -7.992   1.951  -9.583
  359   1HE   LYS  49          1HE       LYS  49  -5.728   2.784  -9.925
  360   2HE   LYS  49          2HE       LYS  49  -6.823   3.540 -11.091
  361   1HZ   LYS  49          1HZ       LYS  49  -5.872   4.756  -8.587
  362   2HZ   LYS  49          2HZ       LYS  49  -6.860   5.479  -9.691
  363   3HZ   LYS  49          3HZ       LYS  49  -5.311   5.099 -10.099
  364    H    ASP  50           HN       ASP  50 -12.427   4.423  -7.273
  365    HA   ASP  50           HA       ASP  50 -12.171   7.118  -7.443
  366   1HB   ASP  50          1HB       ASP  50 -14.197   5.561  -5.764
  367   2HB   ASP  50          2HB       ASP  50 -14.389   7.227  -6.311
  368    H    LYS  51           HN       LYS  51 -12.106   5.270  -4.433
  369    HA   LYS  51           HA       LYS  51 -11.693   7.750  -2.804
  370   1HB   LYS  51          1HB       LYS  51 -12.235   4.882  -2.001
  371   2HB   LYS  51          2HB       LYS  51 -12.153   6.254  -0.899
  372   1HG   LYS  51          2HG       LYS  51 -14.214   7.132  -1.586
  373   2HG   LYS  51          1HG       LYS  51 -14.198   6.288  -3.137
  374   1HD   LYS  51          1HD       LYS  51 -15.834   5.284  -1.600
  375   2HD   LYS  51          2HD       LYS  51 -14.581   4.140  -2.099
  376   1HE   LYS  51          2HE       LYS  51 -13.411   4.458   0.084
  377   2HE   LYS  51          1HE       LYS  51 -14.659   5.614   0.581
  378   1HZ   LYS  51          1HZ       LYS  51 -16.244   3.852   0.479
  379   2HZ   LYS  51          2HZ       LYS  51 -14.969   3.389   1.417
  380   3HZ   LYS  51          3HZ       LYS  51 -15.120   2.795  -0.106
  381    H    LEU  52           H        LEU  52 -10.222   4.644  -3.664
  382    HA   LEU  52           HA       LEU  52  -7.954   5.182  -1.792
  383   1HB   LEU  52          1HB       LEU  52  -9.653   3.329  -1.392
  384   2HB   LEU  52          2HB       LEU  52  -9.038   2.560  -2.859
  385    HG   LEU  52           HG       LEU  52  -6.734   2.556  -1.718
  386   1HD1  LEU  52          1HD1      LEU  52  -6.924   2.722   0.857
  387   2HD1  LEU  52          2HD1      LEU  52  -8.515   3.439   0.605
  388   3HD1  LEU  52          3HD1      LEU  52  -7.060   4.262   0.011
  389   1HD2  LEU  52          1HD2      LEU  52  -9.113   1.099  -0.447
  390   2HD2  LEU  52          2HD2      LEU  52  -8.224   0.584  -1.897
  391   3HD2  LEU  52          3HD2      LEU  52  -7.426   0.585  -0.324
  392    H    LYS  53           HN       LYS  53  -6.128   5.836  -2.857
  393    HA   LYS  53           HA       LYS  53  -5.691   5.059  -5.645
  394   1HB   LYS  53          2HB       LYS  53  -5.108   7.308  -4.246
  395   2HB   LYS  53          1HB       LYS  53  -3.619   6.458  -3.973
  396   1HG   LYS  53          2HG       LYS  53  -4.795   6.972  -6.727
  397   2HG   LYS  53          1HG       LYS  53  -3.501   7.902  -5.955
  398   1HD   LYS  53          2HD       LYS  53  -2.065   5.899  -5.846
  399   2HD   LYS  53          1HD       LYS  53  -3.323   4.918  -6.628
  400   1HE   LYS  53          1HE       LYS  53  -3.218   6.355  -8.639
  401   2HE   LYS  53          2HE       LYS  53  -1.961   7.344  -7.873
  402   1HZ   LYS  53          1HZ       LYS  53  -1.744   4.478  -8.482
  403   2HZ   LYS  53          2HZ       LYS  53  -1.046   5.702  -9.337
  404   3HZ   LYS  53          3HZ       LYS  53  -0.573   5.407  -7.786
  405    H    CYS  54           H        CYS  54  -5.513   2.789  -5.507
  406    HA   CYS  54           HA       CYS  54  -3.889   1.560  -3.462
  407   1HB   CYS  54          1HB       CYS  54  -5.865   0.474  -4.472
  408   2HB   CYS  54          2HB       CYS  54  -4.952   0.364  -6.004
  409    HG   CYS  54           HG       CYS  54  -4.895  -1.943  -4.849
  410    H    VAL  55           H        VAL  55  -1.739   0.923  -3.540
  411    HA   VAL  55           HA       VAL  55  -0.285   1.049  -6.094
  412    HB   VAL  55           HB       VAL  55   1.287   2.449  -4.078
  413   1HG1  VAL  55          1HG1      VAL  55   0.116   4.534  -3.850
  414   2HG1  VAL  55          2HG1      VAL  55  -1.293   3.904  -4.708
  415   3HG1  VAL  55          3HG1      VAL  55  -0.843   3.251  -3.110
  416   1HG2  VAL  55          1HG2      VAL  55   1.702   2.549  -6.477
  417   2HG2  VAL  55          2HG2      VAL  55   0.115   3.313  -6.744
  418   3HG2  VAL  55          3HG2      VAL  55   1.378   4.168  -5.839
  419    H    LYS  56           HN       LYS  56   1.963   0.339  -5.902
  420    HA   LYS  56           HA       LYS  56   2.540  -1.418  -3.564
  421   1HB   LYS  56          2HB       LYS  56   2.270  -2.004  -6.476
  422   2HB   LYS  56          1HB       LYS  56   3.634  -2.772  -5.663
  423   1HG   LYS  56          1HG       LYS  56   2.262  -3.809  -4.018
  424   2HG   LYS  56          2HG       LYS  56   0.829  -2.881  -4.487
  425   1HD   LYS  56          2HD       LYS  56   2.198  -4.867  -6.349
  426   2HD   LYS  56          1HD       LYS  56   0.914  -5.309  -5.206
  427   1HE   LYS  56          1HE       LYS  56  -0.591  -3.596  -6.242
  428   2HE   LYS  56          2HE       LYS  56   0.646  -3.281  -7.472
  429   1HZ   LYS  56          1HZ       LYS  56  -0.973  -4.806  -8.248
  430   2HZ   LYS  56          2HZ       LYS  56   0.466  -5.598  -8.102
  431   3HZ   LYS  56          3HZ       LYS  56  -0.731  -5.837  -6.990
  432    H    LEU  57           H        LEU  57   4.346  -0.819  -2.591
  433    HA   LEU  57           HA       LEU  57   6.409   0.772  -4.053
  434   1HB   LEU  57          1HB       LEU  57   5.421   1.820  -2.091
  435   2HB   LEU  57          2HB       LEU  57   5.919   0.442  -1.082
  436    HG   LEU  57           HG       LEU  57   7.168   2.460  -0.736
  437   1HD1  LEU  57          1HD1      LEU  57   8.377   1.948  -3.459
  438   2HD1  LEU  57          2HD1      LEU  57   8.816   3.248  -2.322
  439   3HD1  LEU  57          3HD1      LEU  57   7.226   3.257  -3.104
  440   1HD2  LEU  57          1HD2      LEU  57   8.052   0.038  -0.394
  441   2HD2  LEU  57          2HD2      LEU  57   9.165   1.407  -0.320
  442   3HD2  LEU  57          3HD2      LEU  57   9.099   0.395  -1.770
  443    H    ASN  58           H        ASN  58   8.185  -0.224  -4.697
  444    HA   ASN  58           HA       ASN  58   8.736  -2.980  -3.886
  445   1HB   ASN  58          1HB       ASN  58   9.131  -2.228  -6.186
  446   2HB   ASN  58          2HB       ASN  58  10.328  -1.062  -5.606
  447   1HD2  ASN  58          2HD2      ASN  58   9.936  -4.292  -6.734
  448   2HD2  ASN  58          1HD2      ASN  58  11.516  -4.860  -6.227
  449    H    THR  59           H        THR  59   9.389  -3.250  -1.873
  450    HA   THR  59           HA       THR  59  11.062  -1.387  -0.412
  451    HB   THR  59           HB       THR  59  10.164  -4.160   0.454
  452    HG1  THR  59           HG1      THR  59   8.347  -3.236  -0.323
  453   1HG2  THR  59          1HG2      THR  59  10.620  -1.517   1.887
  454   2HG2  THR  59          2HG2      THR  59  11.620  -2.970   2.047
  455   3HG2  THR  59          3HG2      THR  59   9.962  -2.973   2.666
  456    H    ASP  60           HN       ASP  60  12.482  -2.228  -2.578
  457    HA   ASP  60           HA       ASP  60  14.800  -3.561  -1.278
  458   1HB   ASP  60          1HB       ASP  60  13.342  -5.231  -2.527
  459   2HB   ASP  60          2HB       ASP  60  13.786  -4.417  -4.030
  460    H    GLU  61           HN       GLU  61  13.437  -2.116  -4.175
  461    HA   GLU  61           HA       GLU  61  15.720  -0.454  -4.847
  462   1HB   GLU  61          2HB       GLU  61  14.117  -1.447  -6.492
  463   2HB   GLU  61          1HB       GLU  61  12.814  -0.498  -5.769
  464   1HG   GLU  61          1HG       GLU  61  13.564   0.545  -7.815
  465   2HG   GLU  61          2HG       GLU  61  13.957   1.607  -6.470
  466    H    SER  62           H        SER  62  12.762  -0.143  -2.878
  467    HA   SER  62           HA       SER  62  13.617   2.585  -2.106
  468   1HB   SER  62          1HB       SER  62  10.712   1.725  -2.656
  469   2HB   SER  62          2HB       SER  62  11.301   3.315  -2.146
  470    HG   SER  62           HG       SER  62  12.825   2.800  -4.156
  471    HA   PRO  63           HA       PRO  63  12.932   0.084   1.723
  472   1HB   PRO  63          1HB       PRO  63  15.503   0.086   2.625
  473   2HB   PRO  63          2HB       PRO  63  14.908  -1.148   1.467
  474   1HG   PRO  63          1HG       PRO  63  16.482   1.377   0.882
  475   2HG   PRO  63          2HG       PRO  63  16.756  -0.265   0.231
  476   1HD   PRO  63          2HD       PRO  63  15.376   1.621  -1.197
  477   2HD   PRO  63          1HD       PRO  63  14.871  -0.068  -1.222
  478    H    ASN  64           H        ASN  64  14.660   2.930   0.669
  479    HA   ASN  64           HA       ASN  64  15.141   4.610   2.727
  480   1HB   ASN  64          2HB       ASN  64  13.543   5.191   0.201
  481   2HB   ASN  64          1HB       ASN  64  14.109   6.428   1.329
  482   1HD2  ASN  64          1HD2      ASN  64  15.041   7.108  -0.829
  483   2HD2  ASN  64          2HD2      ASN  64  16.675   6.531  -1.198
  484    H    VAL  65           H        VAL  65  11.910   4.665   1.287
  485    HA   VAL  65           HA       VAL  65  10.929   6.103   3.420
  486    HB   VAL  65           HB       VAL  65   8.618   5.147   2.261
  487   1HG1  VAL  65          1HG1      VAL  65   9.076   7.144   0.622
  488   2HG1  VAL  65          2HG1      VAL  65  10.761   7.111   1.159
  489   3HG1  VAL  65          3HG1      VAL  65   9.488   7.563   2.308
  490   1HG2  VAL  65          1HG2      VAL  65   9.787   3.532   0.885
  491   2HG2  VAL  65          2HG2      VAL  65   8.775   4.700   0.024
  492   3HG2  VAL  65          3HG2      VAL  65  10.530   4.878  -0.023
  493    H    ALA  66           H        ALA  66  11.075   2.649   2.779
  494    HA   ALA  66           HA       ALA  66   9.183   1.768   4.775
  495   1HB   ALA  66          1HB       ALA  66  10.113   0.345   2.962
  496   2HB   ALA  66          2HB       ALA  66  10.279  -0.399   4.565
  497   3HB   ALA  66          3HB       ALA  66  11.686   0.322   3.789
  498    H    SER  67           H        SER  67  12.618   2.666   4.865
  499    HA   SER  67           HA       SER  67  13.041   1.930   7.629
  500   1HB   SER  67          2HB       SER  67  14.657   3.850   5.893
  501   2HB   SER  67          1HB       SER  67  15.182   3.011   7.360
  502    HG   SER  67           HG       SER  67  14.405   1.792   4.900
  503    H    GLU  68           HN       GLU  68  12.386   4.964   5.884
  504    HA   GLU  68           HA       GLU  68  12.488   6.777   8.050
  505   1HB   GLU  68          1HB       GLU  68  10.715   6.769   5.576
  506   2HB   GLU  68          2HB       GLU  68  10.838   8.131   6.685
  507   1HG   GLU  68          1HG       GLU  68  13.109   8.555   6.170
  508   2HG   GLU  68          2HG       GLU  68  13.339   6.995   5.386
  509    H    TYR  69           H        TYR  69   9.682   4.843   6.853
  510    HA   TYR  69           HA       TYR  69   7.991   5.794   9.057
  511   1HB   TYR  69          2HB       TYR  69   7.672   3.793   6.808
  512   2HB   TYR  69          1HB       TYR  69   6.556   3.840   8.171
  513    HD1  TYR  69           HD1      TYR  69   7.742   5.759   5.211
  514    HD2  TYR  69           HD2      TYR  69   5.039   5.700   8.569
  515    HE1  TYR  69           HE1      TYR  69   6.756   7.881   4.447
  516    HE2  TYR  69           HE2      TYR  69   4.011   7.809   7.762
  517    HH   TYR  69           HH       TYR  69   5.323   9.618   4.978
  518    H    GLY  70           H        GLY  70   9.958   2.877   8.400
  519   1HA   GLY  70          1HA       GLY  70  11.074   1.737  10.139
  520   2HA   GLY  70          2HA       GLY  70   9.865   2.268  11.310
  521    H    ILE  71           H        ILE  71   9.811   0.535   8.172
  522    HA   ILE  71           HA       ILE  71   7.676  -1.243   9.071
  523    HB   ILE  71           HB       ILE  71   9.373  -1.136   6.546
  524   1HG1  ILE  71          2HG1      ILE  71   6.571  -0.197   7.317
  525   2HG1  ILE  71          1HG1      ILE  71   7.945   0.825   6.889
  526   1HG2  ILE  71          1HG2      ILE  71   8.550  -3.431   6.906
  527   2HG2  ILE  71          2HG2      ILE  71   7.672  -2.679   5.588
  528   3HG2  ILE  71          3HG2      ILE  71   6.910  -2.805   7.191
  529   1HD1  ILE  71          1HD1      ILE  71   6.322  -0.960   5.045
  530   2HD1  ILE  71          2HD1      ILE  71   7.900  -0.283   4.588
  531   3HD1  ILE  71          3HD1      ILE  71   6.542   0.789   4.990
  532    H    ARG  72           HN       ARG  72   7.981  -2.989  10.281
  533    HA   ARG  72           HA       ARG  72  10.630  -3.983  10.852
  534   1HB   ARG  72          2HB       ARG  72   8.924  -3.853  12.583
  535   2HB   ARG  72          1HB       ARG  72   7.835  -4.893  11.654
  536   1HG   ARG  72          1HG       ARG  72   8.849  -6.118  13.494
  537   2HG   ARG  72          2HG       ARG  72   9.316  -6.815  11.951
  538   1HD   ARG  72          2HD       ARG  72  11.544  -5.529  12.160
  539   2HD   ARG  72          1HD       ARG  72  10.993  -5.003  13.749
  540    HE   ARG  72           HE       ARG  72  11.467  -7.077  14.603
  541   1HH1  ARG  72          2HH1      ARG  72  11.434  -7.305  11.054
  542   2HH1  ARG  72          1HH1      ARG  72  12.024  -8.942  11.029
  543   1HH2  ARG  72          1HH2      ARG  72  12.268  -9.204  14.557
  544   2HH2  ARG  72          2HH2      ARG  72  12.530 -10.028  13.044
  545    H    SER  73           H        SER  73   7.937  -5.102   8.778
  546    HA   SER  73           HA       SER  73   9.638  -6.950   7.371
  547   1HB   SER  73          1HB       SER  73   7.303  -8.028   9.032
  548   2HB   SER  73          2HB       SER  73   8.159  -8.942   7.784
  549    HG   SER  73           HG       SER  73   9.926  -7.886   9.520
  550    H    ILE  74           H        ILE  74   8.098  -8.054   5.607
  551    HA   ILE  74           HA       ILE  74   5.933  -6.190   4.919
  552    HB   ILE  74           HB       ILE  74   6.666  -6.452   2.515
  553   1HG1  ILE  74          1HG1      ILE  74   9.344  -7.254   3.676
  554   2HG1  ILE  74          2HG1      ILE  74   8.231  -8.323   2.806
  555   1HG2  ILE  74          1HG2      ILE  74   8.133  -4.529   2.658
  556   2HG2  ILE  74          2HG2      ILE  74   8.582  -4.928   4.331
  557   3HG2  ILE  74          3HG2      ILE  74   6.934  -4.391   3.936
  558   1HD1  ILE  74          1HD1      ILE  74   9.711  -5.908   1.751
  559   2HD1  ILE  74          2HD1      ILE  74   8.271  -6.538   0.911
  560   3HD1  ILE  74          3HD1      ILE  74   9.695  -7.548   1.108
  561    HA   PRO  75           HA       PRO  75   4.492  -6.526   2.669
  562   1HB   PRO  75          2HB       PRO  75   1.795  -6.995   2.803
  563   2HB   PRO  75          1HB       PRO  75   2.883  -7.721   1.606
  564   1HG   PRO  75          1HG       PRO  75   1.879  -8.872   4.199
  565   2HG   PRO  75          2HG       PRO  75   1.968  -9.703   2.617
  566   1HD   PRO  75          2HD       PRO  75   3.858 -10.059   4.587
  567   2HD   PRO  75          1HD       PRO  75   4.327 -10.051   2.880
  568    H    THR  76           H        THR  76   3.573  -4.647   3.223
  569    HA   THR  76           HA       THR  76   2.347  -4.232   5.839
  570    HB   THR  76           HB       THR  76   5.023  -3.015   5.114
  571    HG1  THR  76           HG1      THR  76   5.301  -4.634   6.573
  572   1HG2  THR  76          1HG2      THR  76   4.593  -1.508   7.106
  573   2HG2  THR  76          2HG2      THR  76   3.645  -1.096   5.666
  574   3HG2  THR  76          3HG2      THR  76   2.885  -1.967   7.018
  575    H    ILE  77           H        ILE  77   0.524  -3.477   5.087
  576    HA   ILE  77           HA       ILE  77   0.379  -1.804   2.640
  577    HB   ILE  77           HB       ILE  77  -1.697  -3.184   4.403
  578   1HG1  ILE  77          2HG1      ILE  77  -2.321  -4.263   2.212
  579   2HG1  ILE  77          1HG1      ILE  77  -0.864  -3.572   1.491
  580   1HG2  ILE  77          1HG2      ILE  77  -2.014  -1.225   2.126
  581   2HG2  ILE  77          2HG2      ILE  77  -3.332  -2.292   2.678
  582   3HG2  ILE  77          3HG2      ILE  77  -2.675  -1.076   3.767
  583   1HD1  ILE  77          1HD1      ILE  77  -0.893  -5.467   3.892
  584   2HD1  ILE  77          2HD1      ILE  77  -0.700  -5.983   2.204
  585   3HD1  ILE  77          3HD1      ILE  77   0.531  -4.963   2.948
  586    H    MET  78           H        MET  78   0.595   0.398   2.994
  587    HA   MET  78           HA       MET  78  -0.237   1.477   5.681
  588   1HB   MET  78          1HB       MET  78   1.631   2.630   3.616
  589   2HB   MET  78          2HB       MET  78   1.064   3.468   5.066
  590   1HG   MET  78          1HG       MET  78   2.093   1.639   6.441
  591   2HG   MET  78          2HG       MET  78   2.764   0.978   4.958
  592   1HE   MET  78          1HE       MET  78   5.811   2.206   6.834
  593   2HE   MET  78          2HE       MET  78   4.388   2.196   7.908
  594   3HE   MET  78          3HE       MET  78   4.594   0.930   6.676
  595    H    VAL  79           H        VAL  79  -1.859   2.908   5.711
  596    HA   VAL  79           HA       VAL  79  -3.179   3.565   3.120
  597    HB   VAL  79           HB       VAL  79  -4.240   3.623   5.969
  598   1HG1  VAL  79          1HG1      VAL  79  -5.831   1.952   5.100
  599   2HG1  VAL  79          2HG1      VAL  79  -5.007   1.969   3.524
  600   3HG1  VAL  79          3HG1      VAL  79  -4.162   1.369   4.970
  601   1HG2  VAL  79          1HG2      VAL  79  -5.147   5.572   4.704
  602   2HG2  VAL  79          2HG2      VAL  79  -6.385   4.344   4.904
  603   3HG2  VAL  79          3HG2      VAL  79  -5.541   4.519   3.350
  604    H    PHE  80           H        PHE  80  -3.404   5.765   2.591
  605    HA   PHE  80           HA       PHE  80  -2.492   7.765   4.617
  606   1HB   PHE  80          2HB       PHE  80  -1.688   7.870   1.690
  607   2HB   PHE  80          1HB       PHE  80  -1.531   9.111   2.888
  608    HD1  PHE  80           HD1      PHE  80  -0.465   5.532   2.359
  609    HD2  PHE  80           HD2      PHE  80   0.531   9.415   3.942
  610    HE1  PHE  80           HE1      PHE  80   1.794   4.722   2.994
  611    HE2  PHE  80           HE2      PHE  80   2.644   8.514   4.828
  612    HZ   PHE  80           HZ       PHE  80   3.307   6.150   4.331
  613    H    LYS  81           HN       LYS  81  -3.270   9.873   4.180
  614    HA   LYS  81           HA       LYS  81  -5.655  10.157   2.480
  615   1HB   LYS  81          1HB       LYS  81  -7.241  10.408   4.196
  616   2HB   LYS  81          2HB       LYS  81  -6.401   8.903   4.524
  617   1HG   LYS  81          2HG       LYS  81  -6.458  11.461   6.074
  618   2HG   LYS  81          1HG       LYS  81  -6.647   9.802   6.621
  619   1HD   LYS  81          1HD       LYS  81  -4.138   9.488   6.312
  620   2HD   LYS  81          2HD       LYS  81  -4.030  11.208   5.891
  621   1HE   LYS  81          2HE       LYS  81  -5.094  11.804   8.057
  622   2HE   LYS  81          1HE       LYS  81  -5.043  10.093   8.533
  623   1HZ   LYS  81          1HZ       LYS  81  -3.196  11.387   9.358
  624   2HZ   LYS  81          2HZ       LYS  81  -2.719  11.732   7.817
  625   3HZ   LYS  81          3HZ       LYS  81  -2.679  10.179   8.373
  626    H    GLY  82           H        GLY  82  -3.486  11.502   1.952
  627   1HA   GLY  82          2HA       GLY  82  -3.180  13.789   1.451
  628   2HA   GLY  82          1HA       GLY  82  -4.180  14.240   2.839
  629    H    GLY  83           H        GLY  83  -0.957  13.485   1.755
  630   1HA   GLY  83          2HA       GLY  83   1.045  14.090   2.637
  631   2HA   GLY  83          1HA       GLY  83   0.228  14.857   3.996
  632    H    LYS  84           HN       LYS  84  -0.810  13.222   5.536
  633    HA   LYS  84           HA       LYS  84   1.406  11.383   6.331
  634   1HB   LYS  84          2HB       LYS  84  -0.865  12.600   7.931
  635   2HB   LYS  84          1HB       LYS  84   0.384  11.525   8.584
  636   1HG   LYS  84          1HG       LYS  84   2.130  13.150   7.733
  637   2HG   LYS  84          2HG       LYS  84   0.833  14.284   7.358
  638   1HD   LYS  84          1HD       LYS  84   1.540  13.113  10.094
  639   2HD   LYS  84          2HD       LYS  84   1.875  14.756   9.546
  640   1HE   LYS  84          2HE       LYS  84  -0.881  13.535  10.065
  641   2HE   LYS  84          1HE       LYS  84  -0.061  14.766  11.027
  642   1HZ   LYS  84          1HZ       LYS  84  -0.171  16.235   9.140
  643   2HZ   LYS  84          2HZ       LYS  84  -0.969  15.094   8.256
  644   3HZ   LYS  84          3HZ       LYS  84  -1.674  15.737   9.597
  645    H    LYS  85           HN       LYS  85   0.866   9.552   7.584
  646    HA   LYS  85           HA       LYS  85  -0.727   7.677   6.065
  647   1HB   LYS  85          2HB       LYS  85   1.592   7.308   7.080
  648   2HB   LYS  85          1HB       LYS  85   0.796   7.265   8.662
  649   1HG   LYS  85          1HG       LYS  85  -0.598   5.310   7.805
  650   2HG   LYS  85          2HG       LYS  85   0.273   5.446   6.271
  651   1HD   LYS  85          2HD       LYS  85   1.262   3.670   7.498
  652   2HD   LYS  85          1HD       LYS  85   2.424   5.004   7.478
  653   1HE   LYS  85          2HE       LYS  85   1.768   5.597   9.809
  654   2HE   LYS  85          1HE       LYS  85   0.528   4.329   9.791
  655   1HZ   LYS  85          1HZ       LYS  85   2.516   3.629  10.884
  656   2HZ   LYS  85          2HZ       LYS  85   3.425   3.917   9.541
  657   3HZ   LYS  85          3HZ       LYS  85   2.284   2.727   9.524
  658    H    CYS  86           H        CYS  86  -2.554   6.606   6.808
  659    HA   CYS  86           HA       CYS  86  -4.110   7.877   9.002
  660   1HB   CYS  86          2HB       CYS  86  -5.231   7.492   6.826
  661   2HB   CYS  86          1HB       CYS  86  -4.856   5.772   6.921
  662    HG   CYS  86           HG       CYS  86  -6.517   7.520   9.166
  663    H    GLU  87           HN       GLU  87  -3.430   4.584   7.834
  664    HA   GLU  87           HA       GLU  87  -2.653   3.564  10.452
  665   1HB   GLU  87          1HB       GLU  87  -5.139   2.611   8.968
  666   2HB   GLU  87          2HB       GLU  87  -4.406   1.722  10.313
  667   1HG   GLU  87          1HG       GLU  87  -5.727   4.448  10.489
  668   2HG   GLU  87          2HG       GLU  87  -6.378   2.916  11.044
  669    H    THR  88           H        THR  88  -2.544   0.881   9.935
  670    HA   THR  88           HA       THR  88  -1.657   0.390   7.242
  671    HB   THR  88           HB       THR  88   0.323   1.516   8.209
  672    HG1  THR  88           HG1      THR  88   0.564  -0.402   6.858
  673   1HG2  THR  88          1HG2      THR  88   1.569   0.526  10.097
  674   2HG2  THR  88          2HG2      THR  88  -0.043   1.042  10.618
  675   3HG2  THR  88          3HG2      THR  88   0.296  -0.680  10.336
  676    H    ILE  89           H        ILE  89  -0.877  -1.956   7.081
  677    HA   ILE  89           HA       ILE  89  -1.969  -3.752   9.177
  678    HB   ILE  89           HB       ILE  89  -2.440  -4.267   6.210
  679   1HG1  ILE  89          2HG1      ILE  89  -4.454  -3.067   8.153
  680   2HG1  ILE  89          1HG1      ILE  89  -3.707  -2.222   6.783
  681   1HG2  ILE  89          1HG2      ILE  89  -3.712  -5.426   8.730
  682   2HG2  ILE  89          2HG2      ILE  89  -3.944  -5.997   7.065
  683   3HG2  ILE  89          3HG2      ILE  89  -2.373  -6.178   7.838
  684   1HD1  ILE  89          1HD1      ILE  89  -4.662  -3.897   5.217
  685   2HD1  ILE  89          2HD1      ILE  89  -5.860  -2.903   6.065
  686   3HD1  ILE  89          3HD1      ILE  89  -5.594  -4.580   6.570
  687    H    ILE  90           H        ILE  90  -0.255  -5.073   9.700
  688    HA   ILE  90           HA       ILE  90   2.014  -5.353   7.774
  689    HB   ILE  90           HB       ILE  90   1.928  -5.539  10.816
  690   1HG1  ILE  90          1HG1      ILE  90   3.019  -3.388   8.942
  691   2HG1  ILE  90          2HG1      ILE  90   1.625  -3.229  10.014
  692   1HG2  ILE  90          1HG2      ILE  90   4.398  -5.681  10.653
  693   2HG2  ILE  90          2HG2      ILE  90   4.292  -5.669   8.881
  694   3HG2  ILE  90          3HG2      ILE  90   3.655  -7.030   9.824
  695   1HD1  ILE  90          1HD1      ILE  90   3.417  -2.113  11.074
  696   2HD1  ILE  90          2HD1      ILE  90   3.154  -3.617  11.980
  697   3HD1  ILE  90          3HD1      ILE  90   4.528  -3.468  10.852
  698    H    GLY  91           H        GLY  91   2.661  -7.366   7.182
  699   1HA   GLY  91          1HA       GLY  91   2.980  -9.672   7.429
  700   2HA   GLY  91          2HA       GLY  91   1.688  -9.773   8.634
  701    H    ALA  92           H        ALA  92   1.808 -11.599   6.567
  702    HA   ALA  92           HA       ALA  92   0.345 -10.942   4.222
  703   1HB   ALA  92          1HB       ALA  92   0.127 -13.389   3.997
  704   2HB   ALA  92          2HB       ALA  92   1.770 -12.962   4.527
  705   3HB   ALA  92          3HB       ALA  92   0.597 -13.605   5.695
  706    H    VAL  93           H        VAL  93  -1.869 -11.112   3.703
  707    HA   VAL  93           HA       VAL  93  -3.750 -11.999   5.732
  708    HB   VAL  93           HB       VAL  93  -4.859  -9.648   4.552
  709   1HG1  VAL  93          1HG1      VAL  93  -2.350  -8.941   6.123
  710   2HG1  VAL  93          2HG1      VAL  93  -2.520  -8.730   4.360
  711   3HG1  VAL  93          3HG1      VAL  93  -3.550  -7.820   5.470
  712   1HG2  VAL  93          1HG2      VAL  93  -4.210 -10.074   7.430
  713   2HG2  VAL  93          2HG2      VAL  93  -5.653 -10.657   6.563
  714   3HG2  VAL  93          3HG2      VAL  93  -5.363  -8.916   6.705
  715    HA   PRO  94           HA       PRO  94  -5.770 -12.844   1.723
  716   1HB   PRO  94          1HB       PRO  94  -8.383 -13.088   3.050
  717   2HB   PRO  94          2HB       PRO  94  -7.422 -14.359   2.254
  718   1HG   PRO  94          2HG       PRO  94  -7.798 -14.271   5.012
  719   2HG   PRO  94          1HG       PRO  94  -6.274 -14.859   4.277
  720   1HD   PRO  94          1HD       PRO  94  -6.896 -12.055   5.242
  721   2HD   PRO  94          2HD       PRO  94  -5.513 -13.057   5.708
  722    H    LYS  95           HN       LYS  95  -6.976 -11.423   0.300
  723    HA   LYS  95           HA       LYS  95  -7.098  -8.773   1.149
  724   1HB   LYS  95          1HB       LYS  95  -8.650  -8.405  -0.837
  725   2HB   LYS  95          2HB       LYS  95  -7.098  -9.145  -1.238
  726   1HG   LYS  95          1HG       LYS  95  -8.126 -11.218  -1.733
  727   2HG   LYS  95          2HG       LYS  95  -9.581 -10.890  -0.805
  728   1HD   LYS  95          2HD       LYS  95  -8.932  -9.184  -3.217
  729   2HD   LYS  95          1HD       LYS  95  -9.766 -10.738  -3.372
  730   1HE   LYS  95          2HE       LYS  95 -11.596 -10.013  -1.991
  731   2HE   LYS  95          1HE       LYS  95 -10.775  -8.506  -1.550
  732   1HZ   LYS  95          1HZ       LYS  95 -11.507  -9.202  -4.301
  733   2HZ   LYS  95          2HZ       LYS  95 -10.935  -7.761  -3.751
  734   3HZ   LYS  95          3HZ       LYS  95 -12.428  -8.267  -3.297
  735    H    ALA  96           H        ALA  96  -9.552 -11.171   1.236
  736    HA   ALA  96           HA       ALA  96 -11.921  -9.824   1.785
  737   1HB   ALA  96          1HB       ALA  96 -12.537 -11.705   3.270
  738   2HB   ALA  96          2HB       ALA  96 -10.838 -12.217   3.348
  739   3HB   ALA  96          3HB       ALA  96 -11.723 -12.290   1.806
  740    H    THR  97           H        THR  97  -9.170 -10.292   4.065
  741    HA   THR  97           HA       THR  97 -10.492  -8.878   6.243
  742    HB   THR  97           HB       THR  97  -7.569  -9.599   5.839
  743    HG1  THR  97           HG1      THR  97  -9.716 -11.103   6.933
  744   1HG2  THR  97          1HG2      THR  97  -7.566  -9.707   8.334
  745   2HG2  THR  97          2HG2      THR  97  -7.958  -8.079   7.756
  746   3HG2  THR  97          3HG2      THR  97  -9.248  -9.141   8.359
  747    H    ILE  98           H        ILE  98  -8.029  -8.148   3.737
  748    HA   ILE  98           HA       ILE  98  -7.235  -5.573   4.675
  749    HB   ILE  98           HB       ILE  98  -7.343  -6.635   1.812
  750   1HG1  ILE  98          2HG1      ILE  98  -5.134  -6.646   3.925
  751   2HG1  ILE  98          1HG1      ILE  98  -6.000  -8.058   3.307
  752   1HG2  ILE  98          1HG2      ILE  98  -5.754  -4.318   3.000
  753   2HG2  ILE  98          2HG2      ILE  98  -7.143  -4.151   1.909
  754   3HG2  ILE  98          3HG2      ILE  98  -5.670  -4.896   1.323
  755   1HD1  ILE  98          1HD1      ILE  98  -3.902  -8.050   2.223
  756   2HD1  ILE  98          2HD1      ILE  98  -5.077  -7.524   1.002
  757   3HD1  ILE  98          3HD1      ILE  98  -4.013  -6.339   1.797
  758    H    VAL  99           H        VAL  99  -9.875  -6.505   2.421
  759    HA   VAL  99           HA       VAL  99 -10.774  -3.891   1.832
  760    HB   VAL  99           HB       VAL  99 -12.217  -6.572   1.947
  761   1HG1  VAL  99          1HG1      VAL  99 -13.189  -3.870   0.937
  762   2HG1  VAL  99          2HG1      VAL  99 -13.934  -5.418   0.482
  763   3HG1  VAL  99          3HG1      VAL  99 -13.958  -4.896   2.168
  764   1HG2  VAL  99          1HG2      VAL  99 -10.395  -6.328   0.237
  765   2HG2  VAL  99          2HG2      VAL  99 -11.190  -4.868  -0.375
  766   3HG2  VAL  99          3HG2      VAL  99 -11.996  -6.443  -0.507
  767    H    GLN 100           H        GLN 100 -11.980  -6.167   4.367
  768    HA   GLN 100           HA       GLN 100 -13.826  -4.361   5.548
  769   1HB   GLN 100          2HB       GLN 100 -12.217  -6.688   6.688
  770   2HB   GLN 100          1HB       GLN 100 -13.472  -5.833   7.602
  771   1HG   GLN 100          2HG       GLN 100 -15.173  -6.407   6.004
  772   2HG   GLN 100          1HG       GLN 100 -14.004  -7.113   4.883
  773   1HE2  GLN 100          1HE2      GLN 100 -12.927  -9.096   5.454
  774   2HE2  GLN 100          2HE2      GLN 100 -13.654 -10.181   6.646
  775    H    THR 101           H        THR 101 -10.378  -4.928   6.263
  776    HA   THR 101           HA       THR 101 -10.255  -3.142   8.490
  777    HB   THR 101           HB       THR 101  -8.014  -4.100   6.672
  778    HG1  THR 101           HG1      THR 101  -9.159  -5.828   7.520
  779   1HG2  THR 101          1HG2      THR 101  -6.668  -3.859   8.787
  780   2HG2  THR 101          2HG2      THR 101  -7.270  -2.313   8.157
  781   3HG2  THR 101          3HG2      THR 101  -8.062  -3.076   9.554
  782    H    VAL 102           H        VAL 102  -9.533  -2.586   4.967
  783    HA   VAL 102           HA       VAL 102  -8.567   0.073   5.478
  784    HB   VAL 102           HB       VAL 102  -8.197  -1.426   3.432
  785   1HG1  VAL 102          1HG2      VAL 102  -7.853   0.651   2.014
  786   2HG1  VAL 102          2HG2      VAL 102  -8.785   1.561   3.211
  787   3HG1  VAL 102          3HG2      VAL 102  -7.244   0.805   3.667
  788   1HG2  VAL 102          1HG1      VAL 102  -9.484  -0.987   1.439
  789   2HG2  VAL 102          2HG1      VAL 102 -10.684  -0.063   2.362
  790   3HG2  VAL 102          3HG1      VAL 102 -10.447  -1.801   2.656
  791    H    GLU 103           HN       GLU 103 -11.692  -1.286   4.513
  792    HA   GLU 103           HA       GLU 103 -13.158   1.137   4.381
  793   1HB   GLU 103          1HB       GLU 103 -13.955  -1.691   5.169
  794   2HB   GLU 103          2HB       GLU 103 -15.112  -0.363   5.033
  795   1HG   GLU 103          2HG       GLU 103 -14.578   0.024   2.711
  796   2HG   GLU 103          1HG       GLU 103 -13.286  -1.181   2.736
  797    H    LYS 104           HN       LYS 104 -12.584  -0.994   7.181
  798    HA   LYS 104           HA       LYS 104 -13.889   0.500   9.184
  799   1HB   LYS 104          1HB       LYS 104 -13.009  -1.707   9.622
  800   2HB   LYS 104          2HB       LYS 104 -11.384  -1.200   9.196
  801   1HG   LYS 104          1HG       LYS 104 -11.553   0.421  11.260
  802   2HG   LYS 104          2HG       LYS 104 -12.880  -0.638  11.744
  803   1HD   LYS 104          2HD       LYS 104 -10.012  -1.462  11.027
  804   2HD   LYS 104          1HD       LYS 104 -10.625  -1.249  12.670
  805   1HE   LYS 104          2HE       LYS 104 -12.275  -3.085  12.301
  806   2HE   LYS 104          1HE       LYS 104 -11.647  -3.321  10.659
  807   1HZ   LYS 104          1HZ       LYS 104  -9.530  -3.860  11.595
  808   2HZ   LYS 104          2HZ       LYS 104 -10.101  -3.646  13.127
  809   3HZ   LYS 104          3HZ       LYS 104 -10.698  -4.859  12.185
  810    H    TYR 105           H        TYR 105 -10.455   0.758   8.092
  811    HA   TYR 105           HA       TYR 105  -9.792   2.941   9.819
  812   1HB   TYR 105          2HB       TYR 105  -8.648   2.076   7.155
  813   2HB   TYR 105          1HB       TYR 105  -7.868   3.217   8.251
  814    HD1  TYR 105           HD1      TYR 105  -8.851   1.121  10.709
  815    HD2  TYR 105           HD2      TYR 105  -6.460   0.937   7.120
  816    HE1  TYR 105           HE1      TYR 105  -7.331  -0.489  11.792
  817    HE2  TYR 105           HE2      TYR 105  -4.881  -0.581   8.254
  818    HH   TYR 105           HH       TYR 105  -4.239  -1.495  10.319
  819    H    LEU 106           H        LEU 106 -11.051   2.911   6.476
  820    HA   LEU 106           HA       LEU 106 -11.229   5.901   6.488
  821   1HB   LEU 106          2HB       LEU 106 -11.254   3.876   4.214
  822   2HB   LEU 106          1HB       LEU 106 -11.453   5.628   4.032
  823    HG   LEU 106           HG       LEU 106  -8.973   4.192   5.082
  824   1HD1  LEU 106          1HD2      LEU 106  -7.877   6.430   4.747
  825   2HD1  LEU 106          2HD2      LEU 106  -9.478   7.142   4.463
  826   3HD1  LEU 106          3HD2      LEU 106  -9.072   6.443   6.048
  827   1HD2  LEU 106          1HD1      LEU 106  -9.556   5.548   2.410
  828   2HD2  LEU 106          2HD1      LEU 106  -8.015   4.805   2.889
  829   3HD2  LEU 106          3HD1      LEU 106  -9.462   3.802   2.691
  830    H    ASN 107           H        ASN 107 -13.181   3.914   4.319
  831    HA   ASN 107           HA       ASN 107 -15.519   3.704   5.845
  832   1HB   ASN 107          1HB       ASN 107 -15.418   6.251   5.266
  833   2HB   ASN 107          2HB       ASN 107 -15.616   5.754   3.583
  834   1HD2  ASN 107          2HD2      ASN 107 -17.532   3.582   4.032
  835   2HD2  ASN 107          1HD2      ASN 107 -19.023   4.357   4.588
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   0.577  -3.239 -11.316
    2   2H    MET   1          2H        MET   1  -0.949  -3.280 -10.662
    3   3H    MET   1          3H        MET   1  -0.169  -1.853 -10.770
    4    HA   MET   1           HA       MET   1  -0.179  -1.967 -13.156
    5   1HB   MET   1          2HB       MET   1  -0.329  -4.401 -13.393
    6   2HB   MET   1          1HB       MET   1  -1.902  -4.446 -12.599
    7   1HG   MET   1          2HG       MET   1  -2.052  -4.630 -15.073
    8   2HG   MET   1          1HG       MET   1  -2.945  -3.255 -14.440
    9   1HE   MET   1          1HE       MET   1   0.950  -3.726 -15.323
   10   2HE   MET   1          2HE       MET   1  -0.014  -4.516 -16.599
   11   3HE   MET   1          3HE       MET   1   0.903  -3.036 -16.960
   12    H    GLU   2           HN       GLU   2  -3.188  -3.127 -11.560
   13    HA   GLU   2           HA       GLU   2  -4.686  -0.712 -12.266
   14   1HB   GLU   2          1HB       GLU   2  -5.219  -3.012 -10.354
   15   2HB   GLU   2          2HB       GLU   2  -6.397  -1.756 -10.756
   16   1HG   GLU   2          2HG       GLU   2  -6.392  -2.480 -13.113
   17   2HG   GLU   2          1HG       GLU   2  -5.164  -3.707 -12.765
   18    H    ALA   3           H        ALA   3  -3.085  -2.200  -9.485
   19    HA   ALA   3           HA       ALA   3  -3.240   0.171  -7.767
   20   1HB   ALA   3          1HB       ALA   3  -1.674  -1.125  -6.359
   21   2HB   ALA   3          2HB       ALA   3  -3.048  -2.151  -6.830
   22   3HB   ALA   3          3HB       ALA   3  -1.492  -2.329  -7.655
   23    H    GLY   4           H        GLY   4  -1.598   1.787  -7.745
   24   1HA   GLY   4          2HA       GLY   4   0.091   1.945 -10.107
   25   2HA   GLY   4          1HA       GLY   4   0.111   3.046  -8.725
   26    H    ALA   5           H        ALA   5   2.513   2.362  -9.881
   27    HA   ALA   5           HA       ALA   5   3.805   0.487  -7.934
   28   1HB   ALA   5          1HB       ALA   5   5.587   0.261  -9.610
   29   2HB   ALA   5          2HB       ALA   5   4.033  -0.316 -10.247
   30   3HB   ALA   5          3HB       ALA   5   4.669   1.268 -10.749
   31    H    VAL   6           H        VAL   6   5.139   1.597  -6.503
   32    HA   VAL   6           HA       VAL   6   6.035   4.338  -7.292
   33    HB   VAL   6           HB       VAL   6   5.686   4.949  -4.819
   34   1HG1  VAL   6          1HG1      VAL   6   5.152   2.693  -3.989
   35   2HG1  VAL   6          2HG1      VAL   6   3.873   3.860  -3.630
   36   3HG1  VAL   6          3HG1      VAL   6   3.657   2.676  -4.933
   37   1HG2  VAL   6          1HG2      VAL   6   3.332   4.633  -6.696
   38   2HG2  VAL   6          2HG2      VAL   6   4.450   6.003  -6.584
   39   3HG2  VAL   6          3HG2      VAL   6   3.370   5.646  -5.228
   40    H    ASN   7           H        ASN   7   7.690   5.190  -5.947
   41    HA   ASN   7           HA       ASN   7   9.529   3.329  -4.649
   42   1HB   ASN   7          1HB       ASN   7  10.064   4.790  -7.290
   43   2HB   ASN   7          2HB       ASN   7  11.394   4.352  -6.227
   44   1HD2  ASN   7          1HD2      ASN   7  11.350   1.999  -5.413
   45   2HD2  ASN   7          2HD2      ASN   7  11.046   0.810  -6.691
   46    H    ASP   8           HN       ASP   8  11.527   4.837  -4.095
   47    HA   ASP   8           HA       ASP   8  10.932   6.581  -2.134
   48   1HB   ASP   8          2HB       ASP   8  13.218   5.852  -2.772
   49   2HB   ASP   8          1HB       ASP   8  13.214   6.943  -4.148
   50    H    ASP   9           HN       ASP   9  11.689   7.779  -5.362
   51    HA   ASP   9           HA       ASP   9  10.988  10.486  -4.920
   52   1HB   ASP   9          2HB       ASP   9  12.339   9.773  -6.819
   53   2HB   ASP   9          1HB       ASP   9  11.013   8.848  -7.506
   54    H    THR  10           H        THR  10   9.127   8.186  -6.920
   55    HA   THR  10           HA       THR  10   6.896   9.808  -7.318
   56    HB   THR  10           HB       THR  10   5.761   7.547  -7.818
   57    HG1  THR  10           HG1      THR  10   7.447   5.879  -7.997
   58   1HG2  THR  10          1HG2      THR  10   7.151   7.198  -9.828
   59   2HG2  THR  10          2HG2      THR  10   6.895   8.925  -9.531
   60   3HG2  THR  10          3HG2      THR  10   8.452   8.180  -9.122
   61    H    PHE  11           H        PHE  11   7.489   7.552  -4.645
   62    HA   PHE  11           HA       PHE  11   5.070   7.378  -3.347
   63   1HB   PHE  11          2HB       PHE  11   7.229   6.407  -2.624
   64   2HB   PHE  11          1HB       PHE  11   7.798   7.972  -2.119
   65    HD1  PHE  11           HD1      PHE  11   7.276   8.861   0.040
   66    HD2  PHE  11           HD2      PHE  11   5.229   5.351  -1.406
   67    HE1  PHE  11           HE1      PHE  11   6.334   8.481   2.288
   68    HE2  PHE  11           HE2      PHE  11   4.292   4.970   0.858
   69    HZ   PHE  11           HZ       PHE  11   4.800   6.554   2.700
   70    H    LYS  12           HN       LYS  12   7.395   9.994  -3.182
   71    HA   LYS  12           HA       LYS  12   6.208  11.673  -1.236
   72   1HB   LYS  12          2HB       LYS  12   7.688  12.533  -3.757
   73   2HB   LYS  12          1HB       LYS  12   7.390  13.542  -2.350
   74   1HG   LYS  12          1HG       LYS  12   8.795  12.163  -0.932
   75   2HG   LYS  12          2HG       LYS  12   8.936  10.916  -2.179
   76   1HD   LYS  12          1HD       LYS  12  10.072  12.530  -3.685
   77   2HD   LYS  12          2HD       LYS  12  10.069  13.730  -2.374
   78   1HE   LYS  12          1HE       LYS  12  11.412  12.190  -0.959
   79   2HE   LYS  12          2HE       LYS  12  11.329  10.940  -2.212
   80   1HZ   LYS  12          1HZ       LYS  12  13.380  12.081  -2.298
   81   2HZ   LYS  12          2HZ       LYS  12  12.641  13.543  -2.503
   82   3HZ   LYS  12          3HZ       LYS  12  12.525  12.384  -3.672
   83    H    ASN  13           H        ASN  13   5.664  11.660  -4.791
   84    HA   ASN  13           HA       ASN  13   3.655  13.746  -4.666
   85   1HB   ASN  13          1HB       ASN  13   4.343  11.803  -6.901
   86   2HB   ASN  13          2HB       ASN  13   3.395  13.283  -7.032
   87   1HD2  ASN  13          2HD2      ASN  13   4.921  15.217  -5.618
   88   2HD2  ASN  13          1HD2      ASN  13   6.471  15.323  -6.427
   89    H    VAL  14           H        VAL  14   3.587  10.285  -5.433
   90    HA   VAL  14           HA       VAL  14   0.746  10.102  -5.779
   91    HB   VAL  14           HB       VAL  14   3.001   8.063  -5.408
   92   1HG1  VAL  14          1HG1      VAL  14   2.853   7.827  -7.871
   93   2HG1  VAL  14          2HG1      VAL  14   3.242   9.492  -7.436
   94   3HG1  VAL  14          3HG1      VAL  14   1.588   9.071  -7.919
   95   1HG2  VAL  14          1HG2      VAL  14   0.997   6.846  -4.918
   96   2HG2  VAL  14          2HG2      VAL  14   0.135   7.612  -6.278
   97   3HG2  VAL  14          3HG2      VAL  14   1.453   6.463  -6.584
   98    H    VAL  15           H        VAL  15   2.715   9.848  -2.883
   99    HA   VAL  15           HA       VAL  15   0.305   8.869  -1.411
  100    HB   VAL  15           HB       VAL  15   3.198   8.451  -0.580
  101   1HG1  VAL  15          1HG1      VAL  15   0.591   7.145   0.276
  102   2HG1  VAL  15          2HG1      VAL  15   2.219   6.783   0.880
  103   3HG1  VAL  15          3HG1      VAL  15   1.495   8.364   1.197
  104   1HG2  VAL  15          1HG2      VAL  15   1.388   6.612  -2.187
  105   2HG2  VAL  15          2HG2      VAL  15   2.904   6.132  -1.400
  106   3HG2  VAL  15          3HG2      VAL  15   2.932   7.299  -2.712
  107    H    LEU  16           H        LEU  16   3.373  10.531  -0.469
  108    HA   LEU  16           HA       LEU  16   2.198  11.740   1.781
  109   1HB   LEU  16          1HB       LEU  16   4.545  12.795   0.150
  110   2HB   LEU  16          2HB       LEU  16   4.100  13.296   1.771
  111    HG   LEU  16           HG       LEU  16   5.023  10.508   0.935
  112   1HD1  LEU  16          1HD1      LEU  16   6.785  12.264   1.021
  113   2HD1  LEU  16          2HD1      LEU  16   6.321  12.632   2.694
  114   3HD1  LEU  16          3HD1      LEU  16   7.001  11.042   2.286
  115   1HD2  LEU  16          1HD2      LEU  16   5.094  10.119   3.454
  116   2HD2  LEU  16          2HD2      LEU  16   3.470  10.174   2.764
  117   3HD2  LEU  16          3HD2      LEU  16   4.114  11.582   3.644
  118    H    GLU  17           HN       GLU  17   2.618  13.238  -1.441
  119    HA   GLU  17           HA       GLU  17   1.054  15.604  -0.638
  120   1HB   GLU  17          2HB       GLU  17   2.319  14.725  -3.238
  121   2HB   GLU  17          1HB       GLU  17   1.702  16.338  -2.920
  122   1HG   GLU  17          1HG       GLU  17   3.460  16.889  -1.441
  123   2HG   GLU  17          2HG       GLU  17   3.919  15.209  -1.169
  124    H    SER  18           H        SER  18  -0.174  12.669  -1.143
  125    HA   SER  18           HA       SER  18  -1.771  13.143  -3.547
  126   1HB   SER  18          1HB       SER  18  -0.678  11.010  -2.608
  127   2HB   SER  18          2HB       SER  18  -2.135  10.818  -1.645
  128    HG   SER  18           HG       SER  18  -1.878   9.885  -3.890
  129    H    SER  19           H        SER  19  -4.054  13.268  -3.646
  130    HA   SER  19           HA       SER  19  -5.245  14.916  -1.574
  131   1HB   SER  19          1HB       SER  19  -7.115  14.853  -3.354
  132   2HB   SER  19          2HB       SER  19  -5.556  15.551  -3.843
  133    HG   SER  19           HG       SER  19  -6.291  14.024  -5.392
  134    H    VAL  20           H        VAL  20  -6.307  11.985  -3.298
  135    HA   VAL  20           HA       VAL  20  -8.349  11.401  -1.300
  136    HB   VAL  20           HB       VAL  20  -8.370   9.110  -2.587
  137   1HG1  VAL  20          1HG1      VAL  20  -6.126   9.454  -3.673
  138   2HG1  VAL  20          2HG1      VAL  20  -7.455   9.009  -4.759
  139   3HG1  VAL  20          3HG1      VAL  20  -6.888  10.685  -4.711
  140   1HG2  VAL  20          1HG2      VAL  20 -10.148  10.685  -2.842
  141   2HG2  VAL  20          2HG2      VAL  20  -9.707   9.988  -4.406
  142   3HG2  VAL  20          3HG2      VAL  20  -9.191  11.642  -4.009
  143    HA   PRO  21           HA       PRO  21  -6.067   8.692   1.413
  144   1HB   PRO  21          1HB       PRO  21  -8.223   6.662   0.747
  145   2HB   PRO  21          2HB       PRO  21  -7.554   7.022   2.357
  146   1HG   PRO  21          1HG       PRO  21  -9.887   8.008   1.620
  147   2HG   PRO  21          2HG       PRO  21  -8.739   9.085   2.474
  148   1HD   PRO  21          1HD       PRO  21  -9.434   9.063  -0.467
  149   2HD   PRO  21          2HD       PRO  21  -9.013  10.423   0.600
  150    H    VAL  22           H        VAL  22  -4.924   6.610   1.380
  151    HA   VAL  22           HA       VAL  22  -4.419   5.555  -1.342
  152    HB   VAL  22           HB       VAL  22  -2.154   6.428   0.468
  153   1HG1  VAL  22          1HG2      VAL  22  -1.708   4.861  -1.346
  154   2HG1  VAL  22          2HG2      VAL  22  -2.242   6.099  -2.504
  155   3HG1  VAL  22          3HG2      VAL  22  -0.844   6.408  -1.478
  156   1HG2  VAL  22          1HG1      VAL  22  -1.895   8.482  -0.915
  157   2HG2  VAL  22          2HG1      VAL  22  -3.465   8.167  -1.671
  158   3HG2  VAL  22          3HG1      VAL  22  -3.353   8.548   0.064
  159    H    LEU  23           H        LEU  23  -3.499   3.500  -1.350
  160    HA   LEU  23           HA       LEU  23  -2.998   2.170   1.301
  161   1HB   LEU  23          1HB       LEU  23  -5.200   1.530   0.564
  162   2HB   LEU  23          2HB       LEU  23  -4.603   0.917  -0.974
  163    HG   LEU  23           HG       LEU  23  -3.319  -0.132   1.544
  164   1HD1  LEU  23          1HD1      LEU  23  -2.595  -1.124  -0.603
  165   2HD1  LEU  23          2HD1      LEU  23  -3.532  -2.325   0.282
  166   3HD1  LEU  23          3HD1      LEU  23  -4.291  -1.446  -1.043
  167   1HD2  LEU  23          1HD2      LEU  23  -6.060  -1.128   0.707
  168   2HD2  LEU  23          2HD2      LEU  23  -5.757  -0.062   2.102
  169   3HD2  LEU  23          3HD2      LEU  23  -5.071  -1.691   2.060
  170    H    VAL  24           H        VAL  24  -0.798   2.093   1.184
  171    HA   VAL  24           HA       VAL  24   0.499   1.339  -1.403
  172    HB   VAL  24           HB       VAL  24   1.741   2.432   1.138
  173   1HG1  VAL  24          1HG1      VAL  24   2.867   2.009  -1.661
  174   2HG1  VAL  24          2HG1      VAL  24   3.329   1.116  -0.197
  175   3HG1  VAL  24          3HG1      VAL  24   3.700   2.837  -0.329
  176   1HG2  VAL  24          1HG2      VAL  24   0.246   4.126   0.007
  177   2HG2  VAL  24          2HG2      VAL  24   1.195   3.893  -1.478
  178   3HG2  VAL  24          3HG2      VAL  24   1.960   4.545  -0.017
  179    H    ASP  25           HN       ASP  25   1.023  -0.800  -1.607
  180    HA   ASP  25           HA       ASP  25   1.429  -2.461   0.843
  181   1HB   ASP  25          2HB       ASP  25  -0.099  -3.457  -0.725
  182   2HB   ASP  25          1HB       ASP  25   1.022  -3.179  -2.062
  183    H    PHE  26           H        PHE  26   3.507  -2.485   1.553
  184    HA   PHE  26           HA       PHE  26   5.727  -1.760  -0.263
  185   1HB   PHE  26          2HB       PHE  26   5.576  -2.546   2.663
  186   2HB   PHE  26          1HB       PHE  26   7.080  -2.292   1.790
  187    HD1  PHE  26           HD1      PHE  26   3.779  -0.457   2.345
  188    HD2  PHE  26           HD2      PHE  26   8.060  -0.171   1.851
  189    HE1  PHE  26           HE1      PHE  26   3.686   1.946   2.833
  190    HE2  PHE  26           HE2      PHE  26   7.966   2.199   2.557
  191    HZ   PHE  26           HZ       PHE  26   5.762   3.205   3.244
  192    H    TRP  27           H        TRP  27   6.443  -3.311  -1.635
  193    HA   TRP  27           HA       TRP  27   6.262  -6.179  -0.807
  194   1HB   TRP  27          2HB       TRP  27   5.411  -6.793  -2.925
  195   2HB   TRP  27          1HB       TRP  27   4.407  -5.470  -2.379
  196    HD1  TRP  27           HD1      TRP  27   5.225  -2.994  -3.464
  197    HE1  TRP  27           HE1      TRP  27   6.351  -2.394  -5.722
  198    HE3  TRP  27           HE3      TRP  27   6.433  -7.711  -5.045
  199    HZ2  TRP  27           HZ2      TRP  27   7.840  -3.794  -7.759
  200    HZ3  TRP  27           HZ3      TRP  27   7.501  -8.033  -7.238
  201    HH2  TRP  27           HH2      TRP  27   8.246  -6.093  -8.587
  202    H    ALA  28           H        ALA  28   7.401  -7.379  -2.870
  203    HA   ALA  28           HA       ALA  28   9.567  -6.062  -4.122
  204   1HB   ALA  28          1HB       ALA  28  10.672  -6.217  -1.879
  205   2HB   ALA  28          2HB       ALA  28  11.461  -7.271  -3.062
  206   3HB   ALA  28          3HB       ALA  28  10.356  -7.970  -1.869
  207    HA   PRO  29           HA       PRO  29   8.823  -9.664  -6.630
  208   1HB   PRO  29          1HB       PRO  29  11.310 -10.188  -7.729
  209   2HB   PRO  29          2HB       PRO  29  10.155  -8.921  -8.267
  210   1HG   PRO  29          1HG       PRO  29  12.512  -8.582  -6.376
  211   2HG   PRO  29          2HG       PRO  29  12.100  -7.580  -7.802
  212   1HD   PRO  29          2HD       PRO  29  11.318  -6.705  -5.395
  213   2HD   PRO  29          1HD       PRO  29  10.142  -6.722  -6.708
  214    H    TRP  30           H        TRP  30  11.535  -9.902  -4.297
  215    HA   TRP  30           HA       TRP  30  11.420 -12.840  -4.339
  216   1HB   TRP  30          2HB       TRP  30  12.949 -12.572  -2.361
  217   2HB   TRP  30          1HB       TRP  30  13.516 -11.933  -3.894
  218    HD1  TRP  30           HD1      TRP  30  14.438  -9.588  -3.901
  219    HE1  TRP  30           HE1      TRP  30  14.581  -7.619  -2.253
  220    HE3  TRP  30           HE3      TRP  30  11.420 -11.421  -0.180
  221    HZ2  TRP  30           HZ2      TRP  30  13.389  -6.870   0.256
  222    HZ3  TRP  30           HZ3      TRP  30  10.912 -10.037   1.798
  223    HH2  TRP  30           HH2      TRP  30  11.778  -7.726   1.976
  224    H    CYS  31           H        CYS  31   9.289 -10.503  -3.105
  225    HA   CYS  31           HA       CYS  31   8.876 -11.755  -0.481
  226   1HB   CYS  31          1HB       CYS  31   8.656  -9.315  -0.803
  227   2HB   CYS  31          2HB       CYS  31   7.310  -9.600  -1.892
  228    H    GLY  32           H        GLY  32   8.384 -13.911  -1.298
  229   1HA   GLY  32          1HA       GLY  32   6.282 -14.870  -2.753
  230   2HA   GLY  32          2HA       GLY  32   6.726 -15.561  -1.185
  231    HA   PRO  33           HA       PRO  33   2.899 -14.258   0.550
  232   1HB   PRO  33          1HB       PRO  33   3.319 -12.404   2.596
  233   2HB   PRO  33          2HB       PRO  33   3.525 -14.171   2.720
  234   1HG   PRO  33          2HG       PRO  33   5.642 -12.080   2.216
  235   2HG   PRO  33          1HG       PRO  33   5.692 -13.473   3.327
  236   1HD   PRO  33          1HD       PRO  33   6.880 -13.539   0.896
  237   2HD   PRO  33          2HD       PRO  33   6.031 -14.987   1.494
  238    H    CYS  34           H        CYS  34   4.846 -11.620  -0.784
  239    HA   CYS  34           HA       CYS  34   2.624  -9.721  -0.817
  240   1HB   CYS  34          1HB       CYS  34   5.133  -9.562  -2.408
  241   2HB   CYS  34          2HB       CYS  34   3.935  -8.359  -2.055
  242    H    ARG  35           HN       ARG  35   4.526 -11.821  -3.099
  243    HA   ARG  35           HA       ARG  35   3.349 -11.247  -5.528
  244   1HB   ARG  35          2HB       ARG  35   4.112 -13.987  -4.417
  245   2HB   ARG  35          1HB       ARG  35   3.750 -13.629  -6.098
  246   1HG   ARG  35          1HG       ARG  35   5.695 -12.121  -6.243
  247   2HG   ARG  35          2HG       ARG  35   6.098 -12.488  -4.554
  248   1HD   ARG  35          1HD       ARG  35   6.152 -14.940  -5.154
  249   2HD   ARG  35          2HD       ARG  35   5.922 -14.483  -6.858
  250    HE   ARG  35           HE       ARG  35   8.122 -13.015  -5.894
  251   1HH1  ARG  35          1HH1      ARG  35   7.300 -16.411  -6.440
  252   2HH1  ARG  35          2HH1      ARG  35   8.953 -16.903  -6.700
  253   1HH2  ARG  35          2HH2      ARG  35  10.181 -13.593  -6.237
  254   2HH2  ARG  35          1HH2      ARG  35  10.677 -15.244  -6.585
  255    H    ILE  36           H        ILE  36   2.208 -13.652  -3.131
  256    HA   ILE  36           HA       ILE  36  -0.040 -14.426  -4.729
  257    HB   ILE  36           HB       ILE  36  -0.785 -15.661  -2.717
  258   1HG1  ILE  36          2HG1      ILE  36   1.114 -15.793  -0.891
  259   2HG1  ILE  36          1HG1      ILE  36   1.466 -14.137  -1.357
  260   1HG2  ILE  36          1HG2      ILE  36   1.100 -17.195  -2.750
  261   2HG2  ILE  36          2HG2      ILE  36   0.867 -16.529  -4.370
  262   3HG2  ILE  36          3HG2      ILE  36   2.188 -15.928  -3.346
  263   1HD1  ILE  36          1HD1      ILE  36  -0.078 -14.164   0.528
  264   2HD1  ILE  36          2HD1      ILE  36  -1.149 -15.317  -0.292
  265   3HD1  ILE  36          3HD1      ILE  36  -1.027 -13.655  -0.883
  266    H    ILE  37           H        ILE  37   0.272 -11.596  -2.583
  267    HA   ILE  37           HA       ILE  37  -2.698 -11.274  -2.732
  268    HB   ILE  37           HB       ILE  37  -2.424  -9.292  -1.389
  269   1HG1  ILE  37          1HG1      ILE  37   0.473 -10.077  -1.002
  270   2HG1  ILE  37          2HG1      ILE  37  -0.042  -8.734  -2.049
  271   1HG2  ILE  37          1HG2      ILE  37  -1.015 -11.601  -0.001
  272   2HG2  ILE  37          2HG2      ILE  37  -2.141 -10.425   0.691
  273   3HG2  ILE  37          3HG2      ILE  37  -2.742 -11.649  -0.428
  274   1HD1  ILE  37          1HD1      ILE  37  -0.423  -8.937   0.955
  275   2HD1  ILE  37          2HD1      ILE  37   0.640  -7.839   0.058
  276   3HD1  ILE  37          3HD1      ILE  37  -1.122  -7.664  -0.080
  277    H    ALA  38           H        ALA  38   0.330 -10.045  -4.168
  278    HA   ALA  38           HA       ALA  38  -0.242  -7.684  -5.175
  279   1HB   ALA  38          1HB       ALA  38   1.183  -8.189  -7.098
  280   2HB   ALA  38          2HB       ALA  38   1.810  -8.947  -5.625
  281   3HB   ALA  38          3HB       ALA  38   0.972  -9.925  -6.845
  282    HA   PRO  39           HA       PRO  39  -2.815  -8.747  -9.001
  283   1HB   PRO  39          2HB       PRO  39  -4.173 -11.065  -9.333
  284   2HB   PRO  39          1HB       PRO  39  -2.447 -10.903  -9.770
  285   1HG   PRO  39          2HG       PRO  39  -3.618 -12.116  -7.267
  286   2HG   PRO  39          1HG       PRO  39  -2.297 -12.752  -8.283
  287   1HD   PRO  39          1HD       PRO  39  -1.969 -11.320  -5.969
  288   2HD   PRO  39          2HD       PRO  39  -0.737 -11.326  -7.262
  289    H    VAL  40           H        VAL  40  -3.705  -9.963  -5.838
  290    HA   VAL  40           HA       VAL  40  -6.521  -9.348  -6.031
  291    HB   VAL  40           HB       VAL  40  -5.027  -9.721  -3.429
  292   1HG1  VAL  40          1HG1      VAL  40  -7.495  -9.174  -3.613
  293   2HG1  VAL  40          2HG1      VAL  40  -7.116 -10.679  -2.733
  294   3HG1  VAL  40          3HG1      VAL  40  -7.724 -10.745  -4.396
  295   1HG2  VAL  40          1HG2      VAL  40  -5.806 -11.939  -5.381
  296   2HG2  VAL  40          2HG2      VAL  40  -5.423 -12.191  -3.666
  297   3HG2  VAL  40          3HG2      VAL  40  -4.174 -11.612  -4.762
  298    H    VAL  41           H        VAL  41  -3.540  -7.828  -4.781
  299    HA   VAL  41           HA       VAL  41  -4.667  -5.442  -3.688
  300    HB   VAL  41           HB       VAL  41  -1.981  -5.827  -5.092
  301   1HG1  VAL  41          1HG1      VAL  41  -2.395  -7.277  -2.976
  302   2HG1  VAL  41          2HG1      VAL  41  -2.404  -5.747  -2.092
  303   3HG1  VAL  41          3HG1      VAL  41  -0.969  -6.234  -2.997
  304   1HG2  VAL  41          1HG2      VAL  41  -2.909  -3.646  -3.193
  305   2HG2  VAL  41          2HG2      VAL  41  -2.516  -3.449  -4.918
  306   3HG2  VAL  41          3HG2      VAL  41  -1.248  -3.861  -3.763
  307    H    ASP  42           HN       ASP  42  -3.561  -6.307  -6.999
  308    HA   ASP  42           HA       ASP  42  -4.309  -3.841  -8.209
  309   1HB   ASP  42          1HB       ASP  42  -3.949  -6.656  -9.264
  310   2HB   ASP  42          2HB       ASP  42  -4.498  -5.366 -10.323
  311    H    GLU  43           HN       GLU  43  -6.349  -6.939  -8.169
  312    HA   GLU  43           HA       GLU  43  -8.442  -5.586  -9.521
  313   1HB   GLU  43          1HB       GLU  43  -9.797  -7.351  -9.046
  314   2HB   GLU  43          2HB       GLU  43  -8.191  -8.081  -9.151
  315   1HG   GLU  43          1HG       GLU  43  -8.145  -7.956  -6.589
  316   2HG   GLU  43          2HG       GLU  43  -9.861  -7.530  -6.644
  317    H    ILE  44           H        ILE  44  -7.739  -5.828  -6.019
  318    HA   ILE  44           HA       ILE  44 -10.129  -4.424  -5.200
  319    HB   ILE  44           HB       ILE  44  -7.409  -4.862  -3.907
  320   1HG1  ILE  44          2HG1      ILE  44  -8.882  -6.822  -4.003
  321   2HG1  ILE  44          1HG1      ILE  44  -8.714  -6.243  -2.345
  322   1HG2  ILE  44          1HG2      ILE  44  -8.098  -2.722  -3.035
  323   2HG2  ILE  44          2HG2      ILE  44  -8.368  -3.950  -1.799
  324   3HG2  ILE  44          3HG2      ILE  44  -9.738  -3.312  -2.719
  325   1HD1  ILE  44          1HD1      ILE  44 -10.953  -6.935  -2.657
  326   2HD1  ILE  44          2HD1      ILE  44 -10.980  -5.173  -2.531
  327   3HD1  ILE  44          3HD1      ILE  44 -11.166  -5.970  -4.112
  328    H    ALA  45           H        ALA  45  -6.856  -3.290  -6.191
  329    HA   ALA  45           HA       ALA  45  -7.309  -0.549  -5.775
  330   1HB   ALA  45          1HB       ALA  45  -5.860  -1.735  -8.192
  331   2HB   ALA  45          2HB       ALA  45  -5.164  -1.609  -6.572
  332   3HB   ALA  45          3HB       ALA  45  -5.656  -0.152  -7.487
  333    H    GLY  46           H        GLY  46  -8.104  -2.602  -8.639
  334   1HA   GLY  46          2HA       GLY  46  -9.197  -0.648 -10.325
  335   2HA   GLY  46          1HA       GLY  46  -9.722  -2.341 -10.247
  336    H    GLU  47           HN       GLU  47 -10.871  -2.609  -7.823
  337    HA   GLU  47           HA       GLU  47 -13.424  -1.379  -8.167
  338   1HB   GLU  47          1HB       GLU  47 -12.142  -2.873  -5.852
  339   2HB   GLU  47          2HB       GLU  47 -13.848  -2.418  -5.920
  340   1HG   GLU  47          1HG       GLU  47 -14.158  -3.836  -7.905
  341   2HG   GLU  47          2HG       GLU  47 -12.431  -4.222  -7.943
  342    H    TYR  48           H        TYR  48 -11.024  -0.865  -5.565
  343    HA   TYR  48           HA       TYR  48 -12.686   1.300  -4.444
  344   1HB   TYR  48          2HB       TYR  48 -10.095   0.019  -3.480
  345   2HB   TYR  48          1HB       TYR  48 -10.971   1.286  -2.646
  346    HD1  TYR  48           HD1      TYR  48 -12.621   0.799  -1.067
  347    HD2  TYR  48           HD2      TYR  48 -11.442  -2.241  -3.875
  348    HE1  TYR  48           HE1      TYR  48 -14.243  -0.764  -0.068
  349    HE2  TYR  48           HE2      TYR  48 -13.116  -3.785  -2.924
  350    HH   TYR  48           HH       TYR  48 -15.204  -2.868  -0.172
  351    H    LYS  49           HN       LYS  49 -10.332   1.362  -6.849
  352    HA   LYS  49           HA       LYS  49  -8.505   3.131  -6.483
  353   1HB   LYS  49          1HB       LYS  49  -9.545   2.162  -8.721
  354   2HB   LYS  49          2HB       LYS  49 -10.263   3.751  -8.873
  355   1HG   LYS  49          1HG       LYS  49  -8.037   4.805  -8.681
  356   2HG   LYS  49          2HG       LYS  49  -7.281   3.235  -8.413
  357   1HD   LYS  49          1HD       LYS  49  -8.676   4.171 -10.960
  358   2HD   LYS  49          2HD       LYS  49  -6.937   3.973 -10.713
  359   1HE   LYS  49          2HE       LYS  49  -9.048   1.786 -10.880
  360   2HE   LYS  49          1HE       LYS  49  -7.693   2.080 -11.972
  361   1HZ   LYS  49          1HZ       LYS  49  -7.488   1.209  -9.176
  362   2HZ   LYS  49          2HZ       LYS  49  -6.198   1.491 -10.174
  363   3HZ   LYS  49          3HZ       LYS  49  -7.252   0.274 -10.508
  364    H    ASP  50           HN       ASP  50 -11.818   4.181  -7.055
  365    HA   ASP  50           HA       ASP  50 -11.684   6.938  -7.174
  366   1HB   ASP  50          2HB       ASP  50 -13.719   5.610  -7.496
  367   2HB   ASP  50          1HB       ASP  50 -13.751   5.140  -5.806
  368    H    LYS  51           HN       LYS  51 -12.281   5.069  -4.243
  369    HA   LYS  51           HA       LYS  51 -12.035   7.392  -2.473
  370   1HB   LYS  51          2HB       LYS  51 -12.364   4.420  -1.877
  371   2HB   LYS  51          1HB       LYS  51 -12.639   5.762  -0.761
  372   1HG   LYS  51          2HG       LYS  51 -14.474   6.573  -2.299
  373   2HG   LYS  51          1HG       LYS  51 -14.296   5.092  -3.239
  374   1HD   LYS  51          2HD       LYS  51 -15.034   5.317  -0.287
  375   2HD   LYS  51          1HD       LYS  51 -16.115   4.872  -1.614
  376   1HE   LYS  51          2HE       LYS  51 -13.791   3.236  -0.493
  377   2HE   LYS  51          1HE       LYS  51 -15.507   2.890  -0.353
  378   1HZ   LYS  51          1HZ       LYS  51 -13.969   2.899  -2.854
  379   2HZ   LYS  51          2HZ       LYS  51 -14.539   1.576  -2.053
  380   3HZ   LYS  51          3HZ       LYS  51 -15.594   2.636  -2.743
  381    H    LEU  52           H        LEU  52 -10.106   4.678  -3.491
  382    HA   LEU  52           HA       LEU  52  -8.008   5.223  -1.415
  383   1HB   LEU  52          1HB       LEU  52  -9.661   3.326  -0.953
  384   2HB   LEU  52          2HB       LEU  52  -9.047   2.550  -2.410
  385    HG   LEU  52           HG       LEU  52  -6.694   2.732  -1.223
  386   1HD1  LEU  52          1HD1      LEU  52  -8.676   2.998   1.088
  387   2HD1  LEU  52          2HD1      LEU  52  -7.473   4.220   0.619
  388   3HD1  LEU  52          3HD1      LEU  52  -6.952   2.664   1.282
  389   1HD2  LEU  52          1HD2      LEU  52  -7.294   0.587   0.001
  390   2HD2  LEU  52          2HD2      LEU  52  -8.989   0.890  -0.417
  391   3HD2  LEU  52          3HD2      LEU  52  -7.791   0.625  -1.699
  392    H    LYS  53           HN       LYS  53  -6.172   5.894  -2.582
  393    HA   LYS  53           HA       LYS  53  -5.793   4.932  -5.314
  394   1HB   LYS  53          1HB       LYS  53  -5.356   7.238  -4.322
  395   2HB   LYS  53          2HB       LYS  53  -3.928   6.610  -3.585
  396   1HG   LYS  53          2HG       LYS  53  -4.611   6.545  -6.578
  397   2HG   LYS  53          1HG       LYS  53  -3.580   7.754  -5.808
  398   1HD   LYS  53          1HD       LYS  53  -1.915   6.094  -5.215
  399   2HD   LYS  53          2HD       LYS  53  -2.900   4.771  -5.868
  400   1HE   LYS  53          2HE       LYS  53  -1.898   7.082  -7.570
  401   2HE   LYS  53          1HE       LYS  53  -1.055   5.534  -7.383
  402   1HZ   LYS  53          1HZ       LYS  53  -2.980   4.426  -8.235
  403   2HZ   LYS  53          2HZ       LYS  53  -2.411   5.532  -9.316
  404   3HZ   LYS  53          3HZ       LYS  53  -3.768   5.859  -8.443
  405    H    CYS  54           H        CYS  54  -5.515   2.685  -5.094
  406    HA   CYS  54           HA       CYS  54  -3.735   1.626  -3.070
  407   1HB   CYS  54          1HB       CYS  54  -5.662   0.349  -3.887
  408   2HB   CYS  54          2HB       CYS  54  -4.888   0.298  -5.498
  409    HG   CYS  54           HG       CYS  54  -3.308  -0.528  -2.746
  410    H    VAL  55           H        VAL  55  -1.591   0.840  -3.332
  411    HA   VAL  55           HA       VAL  55  -0.240   1.184  -5.883
  412    HB   VAL  55           HB       VAL  55   1.346   2.538  -3.832
  413   1HG1  VAL  55          1HG1      VAL  55   0.129   4.598  -3.513
  414   2HG1  VAL  55          2HG1      VAL  55  -1.278   3.952  -4.359
  415   3HG1  VAL  55          3HG1      VAL  55  -0.777   3.256  -2.799
  416   1HG2  VAL  55          1HG2      VAL  55   1.733   2.746  -6.222
  417   2HG2  VAL  55          2HG2      VAL  55   0.125   3.485  -6.444
  418   3HG2  VAL  55          3HG2      VAL  55   1.379   4.331  -5.517
  419    H    LYS  56           HN       LYS  56   1.984   0.445  -5.772
  420    HA   LYS  56           HA       LYS  56   2.589  -1.350  -3.486
  421   1HB   LYS  56          1HB       LYS  56   2.172  -1.899  -6.364
  422   2HB   LYS  56          2HB       LYS  56   3.655  -2.599  -5.713
  423   1HG   LYS  56          1HG       LYS  56   2.436  -3.665  -3.883
  424   2HG   LYS  56          2HG       LYS  56   0.914  -2.932  -4.423
  425   1HD   LYS  56          2HD       LYS  56   2.571  -4.895  -6.079
  426   2HD   LYS  56          1HD       LYS  56   1.241  -5.359  -5.004
  427   1HE   LYS  56          2HE       LYS  56  -0.305  -3.863  -6.296
  428   2HE   LYS  56          1HE       LYS  56   1.007  -3.543  -7.447
  429   1HZ   LYS  56          1HZ       LYS  56  -0.382  -5.291  -8.238
  430   2HZ   LYS  56          2HZ       LYS  56   1.082  -5.932  -7.845
  431   3HZ   LYS  56          3HZ       LYS  56  -0.221  -6.148  -6.855
  432    H    LEU  57           H        LEU  57   4.449  -0.774  -2.536
  433    HA   LEU  57           HA       LEU  57   6.407   0.844  -4.116
  434   1HB   LEU  57          1HB       LEU  57   5.534   1.804  -1.971
  435   2HB   LEU  57          2HB       LEU  57   6.354   0.499  -1.107
  436    HG   LEU  57           HG       LEU  57   8.151   1.853  -3.024
  437   1HD1  LEU  57          1HD2      LEU  57   8.221   1.456  -0.010
  438   2HD1  LEU  57          2HD2      LEU  57   9.565   1.998  -0.997
  439   3HD1  LEU  57          3HD2      LEU  57   8.929   0.351  -1.207
  440   1HD2  LEU  57          1HD1      LEU  57   6.953   3.511  -0.775
  441   2HD2  LEU  57          2HD1      LEU  57   8.361   3.954  -1.764
  442   3HD2  LEU  57          3HD1      LEU  57   6.768   3.814  -2.522
  443    H    ASN  58           H        ASN  58   8.235  -0.074  -4.819
  444    HA   ASN  58           HA       ASN  58   8.854  -2.836  -4.017
  445   1HB   ASN  58          2HB       ASN  58   9.172  -2.074  -6.335
  446   2HB   ASN  58          1HB       ASN  58  10.429  -0.959  -5.789
  447   1HD2  ASN  58          2HD2      ASN  58   9.975  -4.008  -7.097
  448   2HD2  ASN  58          1HD2      ASN  58  11.485  -4.730  -6.568
  449    H    THR  59           H        THR  59   9.697  -3.181  -2.132
  450    HA   THR  59           HA       THR  59  10.902  -1.169  -0.478
  451    HB   THR  59           HB       THR  59  10.844  -4.196  -0.109
  452    HG1  THR  59           HG1      THR  59   8.771  -3.529  -0.515
  453   1HG2  THR  59          1HG2      THR  59  10.701  -3.605   2.297
  454   2HG2  THR  59          2HG2      THR  59  10.873  -1.887   1.882
  455   3HG2  THR  59          3HG2      THR  59  12.211  -3.018   1.581
  456    H    ASP  60           HN       ASP  60  12.226  -3.560  -2.708
  457    HA   ASP  60           HA       ASP  60  14.875  -3.675  -1.505
  458   1HB   ASP  60          1HB       ASP  60  13.640  -5.385  -2.984
  459   2HB   ASP  60          2HB       ASP  60  14.076  -4.378  -4.359
  460    H    GLU  61           HN       GLU  61  13.317  -2.077  -4.198
  461    HA   GLU  61           HA       GLU  61  15.603  -0.498  -5.064
  462   1HB   GLU  61          2HB       GLU  61  13.821  -1.423  -6.557
  463   2HB   GLU  61          1HB       GLU  61  12.641  -0.389  -5.738
  464   1HG   GLU  61          1HG       GLU  61  13.266   0.579  -7.862
  465   2HG   GLU  61          2HG       GLU  61  13.830   1.636  -6.576
  466    H    SER  62           H        SER  62  12.860   0.005  -2.867
  467    HA   SER  62           HA       SER  62  13.821   2.773  -2.272
  468   1HB   SER  62          1HB       SER  62  10.950   1.913  -2.734
  469   2HB   SER  62          2HB       SER  62  11.546   3.470  -2.112
  470    HG   SER  62           HG       SER  62  13.009   2.956  -4.235
  471    HA   PRO  63           HA       PRO  63  13.453   0.011   1.519
  472   1HB   PRO  63          2HB       PRO  63  16.051   0.275   2.343
  473   2HB   PRO  63          1HB       PRO  63  15.521  -0.881   1.094
  474   1HG   PRO  63          2HG       PRO  63  16.825   1.765   0.565
  475   2HG   PRO  63          1HG       PRO  63  17.231   0.164  -0.105
  476   1HD   PRO  63          1HD       PRO  63  15.574   1.874  -1.443
  477   2HD   PRO  63          2HD       PRO  63  15.317   0.120  -1.477
  478    H    ASN  64           H        ASN  64  15.149   2.854   0.692
  479    HA   ASN  64           HA       ASN  64  15.504   4.522   2.761
  480   1HB   ASN  64          1HB       ASN  64  13.945   5.345   0.266
  481   2HB   ASN  64          2HB       ASN  64  14.705   6.461   1.412
  482   1HD2  ASN  64          1HD2      ASN  64  15.494   6.983  -0.928
  483   2HD2  ASN  64          2HD2      ASN  64  17.073   6.290  -1.328
  484    H    VAL  65           H        VAL  65  12.298   4.676   1.220
  485    HA   VAL  65           HA       VAL  65  10.966   6.081   3.255
  486    HB   VAL  65           HB       VAL  65   9.957   4.130   1.129
  487   1HG1  VAL  65          1HG2      VAL  65   7.791   5.239   1.356
  488   2HG1  VAL  65          2HG2      VAL  65   8.410   6.214   2.715
  489   3HG1  VAL  65          3HG2      VAL  65   8.232   4.456   2.875
  490   1HG2  VAL  65          1HG1      VAL  65  10.213   7.173   1.169
  491   2HG2  VAL  65          2HG1      VAL  65  11.193   6.063   0.196
  492   3HG2  VAL  65          3HG1      VAL  65   9.460   6.219  -0.127
  493    H    ALA  66           H        ALA  66  11.078   2.616   2.571
  494    HA   ALA  66           HA       ALA  66   9.420   1.705   4.679
  495   1HB   ALA  66          1HB       ALA  66  11.837   0.243   3.511
  496   2HB   ALA  66          2HB       ALA  66  10.423  -0.475   4.276
  497   3HB   ALA  66          3HB       ALA  66  10.253   0.354   2.722
  498    H    SER  67           H        SER  67  12.862   2.581   4.696
  499    HA   SER  67           HA       SER  67  13.388   1.591   7.371
  500   1HB   SER  67          1HB       SER  67  14.992   3.574   5.697
  501   2HB   SER  67          2HB       SER  67  15.553   2.634   7.088
  502    HG   SER  67           HG       SER  67  14.596   1.560   4.626
  503    H    GLU  68           HN       GLU  68  12.760   4.761   5.880
  504    HA   GLU  68           HA       GLU  68  12.975   6.407   8.183
  505   1HB   GLU  68          1HB       GLU  68  11.169   6.609   5.734
  506   2HB   GLU  68          2HB       GLU  68  11.320   7.882   6.943
  507   1HG   GLU  68          2HG       GLU  68  13.589   8.315   6.413
  508   2HG   GLU  68          1HG       GLU  68  13.788   6.801   5.533
  509    H    TYR  69           H        TYR  69  10.186   4.564   6.887
  510    HA   TYR  69           HA       TYR  69   8.472   5.302   9.141
  511   1HB   TYR  69          2HB       TYR  69   8.256   3.515   6.714
  512   2HB   TYR  69          1HB       TYR  69   7.164   3.278   8.056
  513    HD1  TYR  69           HD1      TYR  69   7.887   5.377   5.175
  514    HD2  TYR  69           HD2      TYR  69   5.772   5.258   8.927
  515    HE1  TYR  69           HE1      TYR  69   6.497   7.295   4.456
  516    HE2  TYR  69           HE2      TYR  69   4.351   7.159   8.178
  517    HH   TYR  69           HH       TYR  69   4.784   8.737   5.019
  518    H    GLY  70           H        GLY  70  10.578   2.508   8.377
  519   1HA   GLY  70          1HA       GLY  70  11.623   1.216  10.024
  520   2HA   GLY  70          2HA       GLY  70  10.433   1.708  11.231
  521    H    ILE  71           H        ILE  71  10.235   0.234   7.970
  522    HA   ILE  71           HA       ILE  71   8.209  -1.698   8.846
  523    HB   ILE  71           HB       ILE  71   9.511  -1.138   6.173
  524   1HG1  ILE  71          2HG1      ILE  71   6.826  -0.417   7.457
  525   2HG1  ILE  71          1HG1      ILE  71   8.120   0.697   7.001
  526   1HG2  ILE  71          1HG2      ILE  71   8.793  -3.495   6.295
  527   2HG2  ILE  71          2HG2      ILE  71   7.712  -2.599   5.246
  528   3HG2  ILE  71          3HG2      ILE  71   7.205  -2.988   6.908
  529   1HD1  ILE  71          1HD1      ILE  71   7.815  -0.057   4.620
  530   2HD1  ILE  71          2HD1      ILE  71   6.493   0.907   5.319
  531   3HD1  ILE  71          3HD1      ILE  71   6.301  -0.842   5.131
  532    H    ARG  72           HN       ARG  72   8.820  -3.420   9.884
  533    HA   ARG  72           HA       ARG  72  11.507  -4.435   9.894
  534   1HB   ARG  72          2HB       ARG  72  10.761  -5.816  11.644
  535   2HB   ARG  72          1HB       ARG  72   9.980  -4.258  11.866
  536   1HG   ARG  72          1HG       ARG  72   8.731  -6.866  10.879
  537   2HG   ARG  72          2HG       ARG  72   8.486  -6.070  12.425
  538   1HD   ARG  72          2HD       ARG  72   7.415  -5.210   9.726
  539   2HD   ARG  72          1HD       ARG  72   6.524  -5.727  11.153
  540    HE   ARG  72           HE       ARG  72   7.891  -3.520  12.054
  541   1HH1  ARG  72          2HH2      ARG  72   5.537  -4.144   9.469
  542   2HH1  ARG  72          1HH2      ARG  72   5.077  -2.479   9.310
  543   1HH2  ARG  72          2HH1      ARG  72   7.542  -1.277  11.523
  544   2HH2  ARG  72          1HH1      ARG  72   6.090  -0.854  10.668
  545    H    SER  73           H        SER  73   8.623  -5.357   8.075
  546    HA   SER  73           HA       SER  73  10.045  -7.390   6.629
  547   1HB   SER  73          1HB       SER  73   7.685  -8.260   8.379
  548   2HB   SER  73          2HB       SER  73   8.561  -9.271   7.220
  549    HG   SER  73           HG       SER  73  10.406  -8.339   8.808
  550    H    ILE  74           H        ILE  74   8.413  -8.348   4.958
  551    HA   ILE  74           HA       ILE  74   6.179  -6.495   4.456
  552    HB   ILE  74           HB       ILE  74   6.795  -6.641   2.003
  553   1HG1  ILE  74          1HG1      ILE  74   9.584  -7.333   2.933
  554   2HG1  ILE  74          2HG1      ILE  74   8.450  -8.515   2.253
  555   1HG2  ILE  74          1HG2      ILE  74   7.103  -4.635   3.502
  556   2HG2  ILE  74          2HG2      ILE  74   8.256  -4.699   2.175
  557   3HG2  ILE  74          3HG2      ILE  74   8.769  -5.167   3.806
  558   1HD1  ILE  74          1HD1      ILE  74   9.494  -6.016   0.857
  559   2HD1  ILE  74          2HD1      ILE  74   8.152  -7.013   0.249
  560   3HD1  ILE  74          3HD1      ILE  74   9.753  -7.702   0.407
  561    HA   PRO  75           HA       PRO  75   4.599  -6.647   2.416
  562   1HB   PRO  75          2HB       PRO  75   1.915  -7.113   2.629
  563   2HB   PRO  75          1HB       PRO  75   2.949  -7.758   1.335
  564   1HG   PRO  75          1HG       PRO  75   2.096  -9.118   3.904
  565   2HG   PRO  75          2HG       PRO  75   2.014  -9.795   2.250
  566   1HD   PRO  75          1HD       PRO  75   4.085 -10.379   3.942
  567   2HD   PRO  75          2HD       PRO  75   4.361 -10.127   2.195
  568    H    THR  76           H        THR  76   3.800  -4.856   3.199
  569    HA   THR  76           HA       THR  76   2.627  -4.606   5.862
  570    HB   THR  76           HB       THR  76   5.228  -3.242   5.058
  571    HG1  THR  76           HG1      THR  76   5.711  -4.958   6.331
  572   1HG2  THR  76          1HG2      THR  76   4.918  -1.875   7.120
  573   2HG2  THR  76          2HG2      THR  76   3.700  -1.492   5.897
  574   3HG2  THR  76          3HG2      THR  76   3.277  -2.533   7.280
  575    H    ILE  77           H        ILE  77   0.816  -3.572   5.370
  576    HA   ILE  77           HA       ILE  77   0.604  -2.058   2.808
  577    HB   ILE  77           HB       ILE  77  -1.488  -3.511   4.455
  578   1HG1  ILE  77          1HG1      ILE  77  -0.274  -4.175   1.733
  579   2HG1  ILE  77          2HG1      ILE  77   0.104  -5.016   3.242
  580   1HG2  ILE  77          1HG2      ILE  77  -2.994  -2.970   2.565
  581   2HG2  ILE  77          2HG2      ILE  77  -2.387  -1.498   3.303
  582   3HG2  ILE  77          3HG2      ILE  77  -1.674  -2.067   1.779
  583   1HD1  ILE  77          1HD1      ILE  77  -1.460  -6.366   2.099
  584   2HD1  ILE  77          2HD1      ILE  77  -2.321  -5.629   3.464
  585   3HD1  ILE  77          3HD1      ILE  77  -2.564  -5.016   1.806
  586    H    MET  78           H        MET  78   0.955   0.064   3.298
  587    HA   MET  78           HA       MET  78   0.030   1.159   5.909
  588   1HB   MET  78          1HB       MET  78   1.683   2.368   3.679
  589   2HB   MET  78          2HB       MET  78   1.174   3.208   5.159
  590   1HG   MET  78          1HG       MET  78   2.278   1.323   6.441
  591   2HG   MET  78          2HG       MET  78   3.014   0.819   4.945
  592   1HE   MET  78          1HE       MET  78   4.970   1.320   7.383
  593   2HE   MET  78          2HE       MET  78   5.034   2.999   7.971
  594   3HE   MET  78          3HE       MET  78   3.538   2.094   8.104
  595    H    VAL  79           H        VAL  79  -1.679   2.431   6.085
  596    HA   VAL  79           HA       VAL  79  -3.286   3.065   3.639
  597    HB   VAL  79           HB       VAL  79  -4.130   2.802   6.557
  598   1HG1  VAL  79          1HG1      VAL  79  -3.942   0.660   5.318
  599   2HG1  VAL  79          2HG1      VAL  79  -5.635   1.058   5.660
  600   3HG1  VAL  79          3HG1      VAL  79  -4.977   1.315   4.030
  601   1HG2  VAL  79          1HG2      VAL  79  -5.621   3.895   4.126
  602   2HG2  VAL  79          2HG2      VAL  79  -5.293   4.743   5.640
  603   3HG2  VAL  79          3HG2      VAL  79  -6.423   3.401   5.635
  604    H    PHE  80           H        PHE  80  -3.807   5.212   3.291
  605    HA   PHE  80           HA       PHE  80  -2.840   7.244   5.237
  606   1HB   PHE  80          2HB       PHE  80  -2.547   7.428   2.232
  607   2HB   PHE  80          1HB       PHE  80  -2.027   8.574   3.414
  608    HD1  PHE  80           HD1      PHE  80  -1.440   5.025   2.353
  609    HD2  PHE  80           HD2      PHE  80   0.293   8.601   3.992
  610    HE1  PHE  80           HE1      PHE  80   0.748   3.917   2.462
  611    HE2  PHE  80           HE2      PHE  80   2.458   7.435   4.266
  612    HZ   PHE  80           HZ       PHE  80   2.697   5.067   3.523
  613    H    LYS  81           HN       LYS  81  -3.777   9.302   4.914
  614    HA   LYS  81           HA       LYS  81  -6.211   9.638   3.357
  615   1HB   LYS  81          2HB       LYS  81  -7.707   9.951   5.056
  616   2HB   LYS  81          1HB       LYS  81  -6.809   8.596   5.731
  617   1HG   LYS  81          2HG       LYS  81  -6.448  11.565   6.442
  618   2HG   LYS  81          1HG       LYS  81  -7.336  10.383   7.378
  619   1HD   LYS  81          2HD       LYS  81  -5.509   9.376   8.217
  620   2HD   LYS  81          1HD       LYS  81  -4.478   9.661   6.811
  621   1HE   LYS  81          2HE       LYS  81  -3.969  11.855   7.421
  622   2HE   LYS  81          1HE       LYS  81  -5.283  11.927   8.620
  623   1HZ   LYS  81          1HZ       LYS  81  -2.896  10.223   8.802
  624   2HZ   LYS  81          2HZ       LYS  81  -3.146  11.625   9.631
  625   3HZ   LYS  81          3HZ       LYS  81  -4.105  10.315   9.914
  626    H    GLY  82           H        GLY  82  -6.434  12.015   3.019
  627   1HA   GLY  82          2HA       GLY  82  -5.547  14.187   2.975
  628   2HA   GLY  82          1HA       GLY  82  -5.205  13.832   4.703
  629    H    GLY  83           H        GLY  83  -3.767  12.193   1.873
  630   1HA   GLY  83          1HA       GLY  83  -1.622  12.045   1.144
  631   2HA   GLY  83          2HA       GLY  83  -1.216  13.499   2.051
  632    H    LYS  84           HN       LYS  84  -1.618  12.752   4.646
  633    HA   LYS  84           HA       LYS  84   0.741  11.073   5.090
  634   1HB   LYS  84          2HB       LYS  84  -1.089  12.460   7.081
  635   2HB   LYS  84          1HB       LYS  84   0.467  11.699   7.446
  636   1HG   LYS  84          1HG       LYS  84   1.494  13.236   5.652
  637   2HG   LYS  84          2HG       LYS  84  -0.001  14.166   5.725
  638   1HD   LYS  84          1HD       LYS  84   1.923  13.540   8.029
  639   2HD   LYS  84          2HD       LYS  84   1.773  15.090   7.201
  640   1HE   LYS  84          1HE       LYS  84  -0.345  13.749   8.958
  641   2HE   LYS  84          2HE       LYS  84   0.610  15.183   9.350
  642   1HZ   LYS  84          1HZ       LYS  84  -1.364  14.982   7.187
  643   2HZ   LYS  84          2HZ       LYS  84  -1.561  15.773   8.618
  644   3HZ   LYS  84          3HZ       LYS  84  -0.453  16.314   7.525
  645    H    LYS  85           HN       LYS  85   0.835   9.507   6.849
  646    HA   LYS  85           HA       LYS  85  -0.800   7.274   6.144
  647   1HB   LYS  85          2HB       LYS  85   1.643   7.295   6.867
  648   2HB   LYS  85          1HB       LYS  85   1.060   7.500   8.524
  649   1HG   LYS  85          1HG       LYS  85  -0.263   5.307   8.205
  650   2HG   LYS  85          2HG       LYS  85   0.388   5.250   6.565
  651   1HD   LYS  85          2HD       LYS  85   1.805   3.832   7.613
  652   2HD   LYS  85          1HD       LYS  85   2.738   5.312   7.751
  653   1HE   LYS  85          1HE       LYS  85   0.955   4.029   9.898
  654   2HE   LYS  85          2HE       LYS  85   2.722   3.998   9.855
  655   1HZ   LYS  85          1HZ       LYS  85   1.965   5.644  11.350
  656   2HZ   LYS  85          2HZ       LYS  85   1.041   6.374  10.201
  657   3HZ   LYS  85          3HZ       LYS  85   2.686   6.395  10.072
  658    H    CYS  86           H        CYS  86  -2.256   6.111   7.379
  659    HA   CYS  86           HA       CYS  86  -3.582   7.537   9.651
  660   1HB   CYS  86          1HB       CYS  86  -4.831   7.291   7.405
  661   2HB   CYS  86          2HB       CYS  86  -4.940   5.574   7.768
  662    HG   CYS  86           HG       CYS  86  -5.938   5.975  10.235
  663    H    GLU  87           HN       GLU  87  -3.319   4.222   8.233
  664    HA   GLU  87           HA       GLU  87  -2.430   3.120  10.832
  665   1HB   GLU  87          1HB       GLU  87  -4.600   1.782   9.158
  666   2HB   GLU  87          2HB       GLU  87  -3.972   1.287  10.723
  667   1HG   GLU  87          2HG       GLU  87  -5.815   2.273  11.544
  668   2HG   GLU  87          1HG       GLU  87  -4.809   3.721  11.456
  669    H    THR  88           H        THR  88  -2.026   0.554  10.282
  670    HA   THR  88           HA       THR  88  -0.986   0.122   7.608
  671    HB   THR  88           HB       THR  88   0.827   0.239  10.067
  672    HG1  THR  88           HG1      THR  88   0.203   2.034   8.174
  673   1HG2  THR  88          1HG2      THR  88   2.655  -0.299   8.422
  674   2HG2  THR  88          2HG2      THR  88   1.402  -0.695   7.221
  675   3HG2  THR  88          3HG2      THR  88   1.543  -1.641   8.716
  676    H    ILE  89           H        ILE  89  -1.149  -2.020   7.124
  677    HA   ILE  89           HA       ILE  89  -1.715  -3.968   9.329
  678    HB   ILE  89           HB       ILE  89  -2.388  -4.176   6.363
  679   1HG1  ILE  89          1HG1      ILE  89  -3.770  -2.410   7.238
  680   2HG1  ILE  89          2HG1      ILE  89  -4.724  -3.876   7.033
  681   1HG2  ILE  89          1HG2      ILE  89  -3.880  -6.024   7.173
  682   2HG2  ILE  89          2HG2      ILE  89  -2.160  -6.369   7.336
  683   3HG2  ILE  89          3HG2      ILE  89  -3.106  -5.907   8.766
  684   1HD1  ILE  89          1HD1      ILE  89  -5.315  -2.709   9.096
  685   2HD1  ILE  89          2HD1      ILE  89  -3.667  -2.838   9.702
  686   3HD1  ILE  89          3HD1      ILE  89  -4.646  -4.305   9.470
  687    H    ILE  90           H        ILE  90  -0.625  -6.057   9.062
  688    HA   ILE  90           HA       ILE  90   1.905  -5.954   7.491
  689    HB   ILE  90           HB       ILE  90   1.700  -6.660  10.449
  690   1HG1  ILE  90          1HG1      ILE  90   3.062  -4.241   9.177
  691   2HG1  ILE  90          2HG1      ILE  90   1.511  -4.177  10.022
  692   1HG2  ILE  90          1HG2      ILE  90   4.106  -6.451   8.566
  693   2HG2  ILE  90          2HG2      ILE  90   3.430  -7.960   9.215
  694   3HG2  ILE  90          3HG2      ILE  90   4.188  -6.818  10.301
  695   1HD1  ILE  90          1HD1      ILE  90   4.144  -4.894  11.331
  696   2HD1  ILE  90          2HD1      ILE  90   3.166  -3.440  11.545
  697   3HD1  ILE  90          3HD1      ILE  90   2.545  -5.006  12.096
  698    H    GLY  91           H        GLY  91   2.500  -7.935   6.688
  699   1HA   GLY  91          2HA       GLY  91   2.578 -10.219   6.458
  700   2HA   GLY  91          1HA       GLY  91   1.444 -10.432   7.799
  701    H    ALA  92           H        ALA  92   1.356 -11.915   5.383
  702    HA   ALA  92           HA       ALA  92  -0.642 -10.833   3.580
  703   1HB   ALA  92          1HB       ALA  92   1.033 -12.401   2.792
  704   2HB   ALA  92          2HB       ALA  92  -0.581 -13.104   2.615
  705   3HB   ALA  92          3HB       ALA  92   0.475 -13.645   3.938
  706    H    VAL  93           H        VAL  93  -2.087 -10.247   5.502
  707    HA   VAL  93           HA       VAL  93  -3.754 -12.450   6.537
  708    HB   VAL  93           HB       VAL  93  -5.245 -10.547   7.281
  709   1HG1  VAL  93          1HG2      VAL  93  -4.302  -8.873   5.600
  710   2HG1  VAL  93          2HG2      VAL  93  -2.880  -8.742   6.647
  711   3HG1  VAL  93          3HG2      VAL  93  -4.483  -8.313   7.272
  712   1HG2  VAL  93          1HG1      VAL  93  -2.344 -10.559   8.234
  713   2HG2  VAL  93          2HG1      VAL  93  -3.733  -9.916   9.135
  714   3HG2  VAL  93          3HG1      VAL  93  -3.633 -11.651   8.786
  715    HA   PRO  94           HA       PRO  94  -6.295 -12.884   3.002
  716   1HB   PRO  94          2HB       PRO  94  -8.757 -12.520   4.661
  717   2HB   PRO  94          1HB       PRO  94  -8.376 -13.838   3.528
  718   1HG   PRO  94          2HG       PRO  94  -8.154 -14.249   6.220
  719   2HG   PRO  94          1HG       PRO  94  -6.930 -14.900   5.090
  720   1HD   PRO  94          2HD       PRO  94  -6.740 -12.435   6.822
  721   2HD   PRO  94          1HD       PRO  94  -5.519 -13.693   6.472
  722    H    LYS  95           HN       LYS  95  -7.381 -11.730   1.454
  723    HA   LYS  95           HA       LYS  95  -7.195  -8.914   1.687
  724   1HB   LYS  95          1HB       LYS  95  -7.235 -10.491  -0.433
  725   2HB   LYS  95          2HB       LYS  95  -8.976 -10.249  -0.359
  726   1HG   LYS  95          1HG       LYS  95  -8.253  -8.465  -1.750
  727   2HG   LYS  95          2HG       LYS  95  -8.425  -7.697  -0.184
  728   1HD   LYS  95          2HD       LYS  95  -5.928  -8.063   0.208
  729   2HD   LYS  95          1HD       LYS  95  -5.809  -8.677  -1.438
  730   1HE   LYS  95          2HE       LYS  95  -6.434  -6.521  -2.345
  731   2HE   LYS  95          1HE       LYS  95  -6.898  -5.910  -0.738
  732   1HZ   LYS  95          1HZ       LYS  95  -4.761  -5.128  -1.398
  733   2HZ   LYS  95          2HZ       LYS  95  -4.191  -6.668  -1.543
  734   3HZ   LYS  95          3HZ       LYS  95  -4.633  -6.087  -0.065
  735    H    ALA  96           H        ALA  96  -9.893 -11.132   1.893
  736    HA   ALA  96           HA       ALA  96 -12.061  -9.408   2.282
  737   1HB   ALA  96          1HB       ALA  96 -13.015 -11.145   3.771
  738   2HB   ALA  96          2HB       ALA  96 -11.423 -11.924   3.898
  739   3HB   ALA  96          3HB       ALA  96 -12.266 -11.867   2.333
  740    H    THR  97           H        THR  97  -9.609 -10.387   4.781
  741    HA   THR  97           HA       THR  97 -10.680  -8.880   6.924
  742    HB   THR  97           HB       THR  97  -7.751  -9.592   6.416
  743    HG1  THR  97           HG1      THR  97  -9.887 -11.223   7.338
  744   1HG2  THR  97          1HG2      THR  97  -7.672  -9.964   8.817
  745   2HG2  THR  97          2HG2      THR  97  -8.149  -8.296   8.458
  746   3HG2  THR  97          3HG2      THR  97  -9.373  -9.479   8.984
  747    H    ILE  98           H        ILE  98  -8.108  -8.190   4.509
  748    HA   ILE  98           HA       ILE  98  -7.415  -5.602   5.424
  749    HB   ILE  98           HB       ILE  98  -7.287  -6.849   2.646
  750   1HG1  ILE  98          2HG1      ILE  98  -5.083  -6.228   4.658
  751   2HG1  ILE  98          1HG1      ILE  98  -5.950  -7.766   4.646
  752   1HG2  ILE  98          1HG2      ILE  98  -6.100  -4.215   3.640
  753   2HG2  ILE  98          2HG2      ILE  98  -5.687  -4.991   2.101
  754   3HG2  ILE  98          3HG2      ILE  98  -7.318  -4.397   2.361
  755   1HD1  ILE  98          1HD1      ILE  98  -4.375  -6.747   2.251
  756   2HD1  ILE  98          2HD1      ILE  98  -3.780  -7.884   3.466
  757   3HD1  ILE  98          3HD1      ILE  98  -5.151  -8.331   2.451
  758    H    VAL  99           H        VAL  99  -9.725  -6.405   2.760
  759    HA   VAL  99           HA       VAL  99 -10.629  -3.839   2.184
  760    HB   VAL  99           HB       VAL  99 -12.013  -6.552   2.119
  761   1HG1  VAL  99          1HG1      VAL  99 -13.843  -4.955   2.210
  762   2HG1  VAL  99          2HG1      VAL  99 -13.019  -3.881   1.058
  763   3HG1  VAL  99          3HG1      VAL  99 -13.644  -5.458   0.531
  764   1HG2  VAL  99          1HG2      VAL  99 -10.905  -4.759  -0.091
  765   2HG2  VAL  99          2HG2      VAL  99 -10.043  -6.147   0.591
  766   3HG2  VAL  99          3HG2      VAL  99 -11.563  -6.399  -0.280
  767    H    GLN 100           H        GLN 100 -12.137  -6.140   4.533
  768    HA   GLN 100           HA       GLN 100 -14.134  -4.337   5.451
  769   1HB   GLN 100          2HB       GLN 100 -12.833  -6.852   6.449
  770   2HB   GLN 100          1HB       GLN 100 -13.571  -5.840   7.678
  771   1HG   GLN 100          1HG       GLN 100 -15.091  -7.573   6.778
  772   2HG   GLN 100          2HG       GLN 100 -15.713  -5.919   6.729
  773   1HE2  GLN 100          1HE2      GLN 100 -13.570  -7.754   4.410
  774   2HE2  GLN 100          2HE2      GLN 100 -14.658  -7.474   3.057
  775    H    THR 101           H        THR 101 -10.824  -4.899   6.694
  776    HA   THR 101           HA       THR 101 -10.991  -3.001   8.816
  777    HB   THR 101           HB       THR 101  -8.548  -3.984   7.279
  778    HG1  THR 101           HG1      THR 101  -9.674  -5.697   8.123
  779   1HG2  THR 101          1HG2      THR 101  -7.435  -3.595   9.506
  780   2HG2  THR 101          2HG2      THR 101  -8.886  -2.718  10.034
  781   3HG2  THR 101          3HG2      THR 101  -7.934  -2.123   8.651
  782    H    VAL 102           H        VAL 102  -9.998  -2.592   5.387
  783    HA   VAL 102           HA       VAL 102  -9.146   0.135   5.640
  784    HB   VAL 102           HB       VAL 102 -10.085  -1.564   3.296
  785   1HG1  VAL 102          1HG1      VAL 102  -7.830  -2.052   4.402
  786   2HG1  VAL 102          2HG1      VAL 102  -7.744  -1.591   2.696
  787   3HG1  VAL 102          3HG1      VAL 102  -7.343  -0.412   3.965
  788   1HG2  VAL 102          1HG2      VAL 102  -9.157   0.220   1.833
  789   2HG2  VAL 102          2HG2      VAL 102 -10.610   0.753   2.681
  790   3HG2  VAL 102          3HG2      VAL 102  -9.008   1.285   3.244
  791    H    GLU 103           HN       GLU 103 -12.247  -1.347   4.666
  792    HA   GLU 103           HA       GLU 103 -13.683   1.053   4.240
  793   1HB   GLU 103          1HB       GLU 103 -14.536  -1.730   5.124
  794   2HB   GLU 103          2HB       GLU 103 -15.682  -0.443   4.722
  795   1HG   GLU 103          1HG       GLU 103 -14.885  -0.256   2.467
  796   2HG   GLU 103          2HG       GLU 103 -13.534  -1.353   2.759
  797    H    LYS 104           HN       LYS 104 -13.322  -0.928   7.169
  798    HA   LYS 104           HA       LYS 104 -14.850   0.575   8.998
  799   1HB   LYS 104          1HB       LYS 104 -13.961  -1.510   9.695
  800   2HB   LYS 104          2HB       LYS 104 -12.338  -1.078   9.196
  801   1HG   LYS 104          2HG       LYS 104 -12.430   0.713  11.140
  802   2HG   LYS 104          1HG       LYS 104 -13.750  -0.294  11.733
  803   1HD   LYS 104          1HD       LYS 104 -10.898  -1.159  11.011
  804   2HD   LYS 104          2HD       LYS 104 -11.486  -0.852  12.648
  805   1HE   LYS 104          2HE       LYS 104 -13.104  -2.725  12.447
  806   2HE   LYS 104          1HE       LYS 104 -12.559  -3.043  10.791
  807   1HZ   LYS 104          1HZ       LYS 104 -10.880  -3.234  13.183
  808   2HZ   LYS 104          2HZ       LYS 104 -11.527  -4.496  12.345
  809   3HZ   LYS 104          3HZ       LYS 104 -10.398  -3.533  11.634
  810    H    TYR 105           H        TYR 105 -11.351   0.983   8.142
  811    HA   TYR 105           HA       TYR 105 -11.022   3.290   9.813
  812   1HB   TYR 105          1HB       TYR 105  -9.466   2.567   7.303
  813   2HB   TYR 105          2HB       TYR 105  -8.964   3.616   8.631
  814    HD1  TYR 105           HD1      TYR 105  -7.508   1.215   7.377
  815    HD2  TYR 105           HD2      TYR 105  -9.840   1.753  10.967
  816    HE1  TYR 105           HE1      TYR 105  -5.966  -0.275   8.611
  817    HE2  TYR 105           HE2      TYR 105  -8.346   0.213  12.168
  818    HH   TYR 105           HH       TYR 105  -6.408  -1.043  12.071
  819    H    LEU 106           H        LEU 106 -11.770   2.991   6.337
  820    HA   LEU 106           HA       LEU 106 -12.148   5.955   6.125
  821   1HB   LEU 106          2HB       LEU 106 -11.483   3.835   4.048
  822   2HB   LEU 106          1HB       LEU 106 -11.764   5.549   3.696
  823    HG   LEU 106           HG       LEU 106  -9.531   4.478   5.492
  824   1HD1  LEU 106          1HD2      LEU 106  -8.540   6.734   5.113
  825   2HD1  LEU 106          2HD2      LEU 106 -10.062   6.826   6.005
  826   3HD1  LEU 106          3HD2      LEU 106 -10.022   7.236   4.274
  827   1HD2  LEU 106          1HD1      LEU 106  -9.498   5.320   2.567
  828   2HD2  LEU 106          2HD1      LEU 106  -8.066   4.918   3.547
  829   3HD2  LEU 106          3HD1      LEU 106  -9.284   3.679   3.206
  830    H    ASN 107           H        ASN 107 -13.401   3.718   3.697
  831    HA   ASN 107           HA       ASN 107 -16.012   3.379   4.643
  832   1HB   ASN 107          2HB       ASN 107 -15.932   5.930   4.034
  833   2HB   ASN 107          1HB       ASN 107 -15.726   5.394   2.366
  834   1HD2  ASN 107          1HD2      ASN 107 -17.563   3.135   2.408
  835   2HD2  ASN 107          2HD2      ASN 107 -19.183   3.816   2.619
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   0.015  -3.710 -11.696
    2   2H    MET   1          2H        MET   1  -0.521  -2.272 -11.030
    3   3H    MET   1          3H        MET   1  -1.425  -3.614 -10.874
    4    HA   MET   1           HA       MET   1  -0.832  -2.315 -13.428
    5   1HB   MET   1          2HB       MET   1  -1.262  -4.664 -13.754
    6   2HB   MET   1          1HB       MET   1  -2.615  -4.655 -12.640
    7   1HG   MET   1          1HG       MET   1  -3.515  -4.696 -14.876
    8   2HG   MET   1          2HG       MET   1  -3.832  -3.093 -14.287
    9   1HE   MET   1          1HE       MET   1  -3.279  -2.240 -17.977
   10   2HE   MET   1          2HE       MET   1  -4.279  -1.970 -16.531
   11   3HE   MET   1          3HE       MET   1  -4.167  -3.599 -17.248
   12    H    GLU   2           HN       GLU   2  -3.945  -3.199 -11.858
   13    HA   GLU   2           HA       GLU   2  -5.014  -0.555 -12.219
   14   1HB   GLU   2          2HB       GLU   2  -5.938  -2.676 -10.233
   15   2HB   GLU   2          1HB       GLU   2  -6.870  -1.331 -10.900
   16   1HG   GLU   2          2HG       GLU   2  -7.627  -2.901 -12.384
   17   2HG   GLU   2          1HG       GLU   2  -6.101  -2.630 -13.227
   18    H    ALA   3           H        ALA   3  -3.401  -2.289  -9.604
   19    HA   ALA   3           HA       ALA   3  -3.238   0.089  -7.856
   20   1HB   ALA   3          1HB       ALA   3  -3.347  -2.150  -6.811
   21   2HB   ALA   3          2HB       ALA   3  -1.765  -1.403  -6.504
   22   3HB   ALA   3          3HB       ALA   3  -1.945  -2.662  -7.749
   23    H    GLY   4           H        GLY   4  -1.494   1.550  -8.078
   24   1HA   GLY   4          2HA       GLY   4   0.220   1.244 -10.434
   25   2HA   GLY   4          1HA       GLY   4   0.220   2.574  -9.272
   26    H    ALA   5           H        ALA   5   2.654   2.094  -9.883
   27    HA   ALA   5           HA       ALA   5   3.827   0.377  -7.750
   28   1HB   ALA   5          1HB       ALA   5   4.229  -0.685  -9.936
   29   2HB   ALA   5          2HB       ALA   5   4.892   0.841 -10.566
   30   3HB   ALA   5          3HB       ALA   5   5.730  -0.022  -9.257
   31    H    VAL   6           H        VAL   6   5.336   1.534  -6.495
   32    HA   VAL   6           HA       VAL   6   6.142   4.241  -7.450
   33    HB   VAL   6           HB       VAL   6   5.812   4.944  -4.947
   34   1HG1  VAL   6          1HG1      VAL   6   3.706   2.750  -5.067
   35   2HG1  VAL   6          2HG1      VAL   6   3.935   3.953  -3.786
   36   3HG1  VAL   6          3HG1      VAL   6   5.177   2.735  -4.092
   37   1HG2  VAL   6          1HG2      VAL   6   4.671   6.082  -6.657
   38   2HG2  VAL   6          2HG2      VAL   6   3.561   4.731  -6.941
   39   3HG2  VAL   6          3HG2      VAL   6   3.481   5.655  -5.417
   40    H    ASN   7           H        ASN   7   7.785   5.212  -6.127
   41    HA   ASN   7           HA       ASN   7   9.549   3.484  -4.606
   42   1HB   ASN   7          2HB       ASN   7  10.480   3.131  -6.801
   43   2HB   ASN   7          1HB       ASN   7  10.343   4.853  -7.218
   44   1HD2  ASN   7          2HD2      ASN   7  11.841   2.929  -4.509
   45   2HD2  ASN   7          1HD2      ASN   7  13.432   3.606  -4.708
   46    H    ASP   8           HN       ASP   8  11.338   5.013  -3.816
   47    HA   ASP   8           HA       ASP   8  10.463   6.893  -2.076
   48   1HB   ASP   8          1HB       ASP   8  12.806   6.078  -2.325
   49   2HB   ASP   8          2HB       ASP   8  13.052   7.159  -3.683
   50    H    ASP   9           HN       ASP   9  11.570   7.657  -5.327
   51    HA   ASP   9           HA       ASP   9  11.107  10.462  -5.320
   52   1HB   ASP   9          2HB       ASP   9  12.425   9.394  -7.053
   53   2HB   ASP   9          1HB       ASP   9  11.063   8.434  -7.611
   54    H    THR  10           H        THR  10   9.081   8.155  -7.154
   55    HA   THR  10           HA       THR  10   6.932   9.897  -7.610
   56    HB   THR  10           HB       THR  10   5.698   7.687  -8.040
   57    HG1  THR  10           HG1      THR  10   7.260   5.908  -8.129
   58   1HG2  THR  10          1HG2      THR  10   8.439   8.067  -9.336
   59   2HG2  THR  10          2HG2      THR  10   6.954   8.923  -9.787
   60   3HG2  THR  10          3HG2      THR  10   7.067   7.171 -10.018
   61    H    PHE  11           H        PHE  11   7.486   7.756  -4.870
   62    HA   PHE  11           HA       PHE  11   5.159   7.622  -3.483
   63   1HB   PHE  11          2HB       PHE  11   7.458   6.855  -2.788
   64   2HB   PHE  11          1HB       PHE  11   7.821   8.489  -2.289
   65    HD1  PHE  11           HD1      PHE  11   7.136   9.302  -0.141
   66    HD2  PHE  11           HD2      PHE  11   5.710   5.521  -1.623
   67    HE1  PHE  11           HE1      PHE  11   6.396   8.691   2.136
   68    HE2  PHE  11           HE2      PHE  11   4.889   4.941   0.646
   69    HZ   PHE  11           HZ       PHE  11   5.221   6.535   2.531
   70    H    LYS  12           HN       LYS  12   7.308  10.342  -3.623
   71    HA   LYS  12           HA       LYS  12   6.214  12.138  -1.740
   72   1HB   LYS  12          2HB       LYS  12   7.447  12.778  -4.451
   73   2HB   LYS  12          1HB       LYS  12   7.250  13.930  -3.142
   74   1HG   LYS  12          1HG       LYS  12   8.872  11.356  -2.885
   75   2HG   LYS  12          2HG       LYS  12   9.571  12.862  -3.444
   76   1HD   LYS  12          1HD       LYS  12   9.768  13.692  -1.357
   77   2HD   LYS  12          2HD       LYS  12   8.122  13.251  -0.915
   78   1HE   LYS  12          2HE       LYS  12   9.787  12.093   0.504
   79   2HE   LYS  12          1HE       LYS  12   8.806  10.948  -0.419
   80   1HZ   LYS  12          1HZ       LYS  12  10.588  10.656  -1.936
   81   2HZ   LYS  12          2HZ       LYS  12  11.501  11.820  -1.203
   82   3HZ   LYS  12          3HZ       LYS  12  11.155  10.415  -0.416
   83    H    ASN  13           H        ASN  13   5.362  11.702  -5.172
   84    HA   ASN  13           HA       ASN  13   3.246  13.749  -5.069
   85   1HB   ASN  13          1HB       ASN  13   4.247  11.839  -7.238
   86   2HB   ASN  13          2HB       ASN  13   3.011  13.060  -7.474
   87   1HD2  ASN  13          1HD2      ASN  13   3.750  15.391  -6.588
   88   2HD2  ASN  13          2HD2      ASN  13   5.361  15.842  -7.114
   89    H    VAL  14           H        VAL  14   3.524  10.291  -5.838
   90    HA   VAL  14           HA       VAL  14   0.729   9.876  -6.218
   91    HB   VAL  14           HB       VAL  14   3.049   7.956  -5.746
   92   1HG1  VAL  14          1HG1      VAL  14   3.015   7.722  -8.223
   93   2HG1  VAL  14          2HG1      VAL  14   1.752   8.964  -8.320
   94   3HG1  VAL  14          3HG1      VAL  14   3.380   9.383  -7.754
   95   1HG2  VAL  14          1HG2      VAL  14   0.977   6.728  -5.382
   96   2HG2  VAL  14          2HG2      VAL  14   0.250   7.449  -6.840
   97   3HG2  VAL  14          3HG2      VAL  14   1.600   6.310  -6.984
   98    H    VAL  15           H        VAL  15   2.833   9.439  -3.346
   99    HA   VAL  15           HA       VAL  15   0.538   8.236  -1.872
  100    HB   VAL  15           HB       VAL  15   3.489   8.204  -1.140
  101   1HG1  VAL  15          1HG1      VAL  15   1.089   6.682  -0.083
  102   2HG1  VAL  15          2HG1      VAL  15   2.779   6.472   0.427
  103   3HG1  VAL  15          3HG1      VAL  15   1.958   7.984   0.761
  104   1HG2  VAL  15          1HG2      VAL  15   3.437   5.865  -1.924
  105   2HG2  VAL  15          2HG2      VAL  15   3.133   6.974  -3.259
  106   3HG2  VAL  15          3HG2      VAL  15   1.788   6.097  -2.529
  107    H    LEU  16           H        LEU  16   3.267  10.527  -1.232
  108    HA   LEU  16           HA       LEU  16   1.999  11.380   1.220
  109   1HB   LEU  16          2HB       LEU  16   4.249  12.602  -0.420
  110   2HB   LEU  16          1HB       LEU  16   3.713  13.242   1.113
  111    HG   LEU  16           HG       LEU  16   4.895  10.481   0.568
  112   1HD1  LEU  16          1HD2      LEU  16   6.792  11.300   1.903
  113   2HD1  LEU  16          2HD2      LEU  16   5.959  12.846   2.174
  114   3HD1  LEU  16          3HD2      LEU  16   6.491  12.395   0.545
  115   1HD2  LEU  16          1HD1      LEU  16   3.859  11.672   3.173
  116   2HD2  LEU  16          2HD1      LEU  16   4.970  10.297   3.112
  117   3HD2  LEU  16          3HD1      LEU  16   3.364  10.140   2.406
  118    H    GLU  17           HN       GLU  17   2.617  13.475  -1.634
  119    HA   GLU  17           HA       GLU  17   0.491  15.275  -0.730
  120   1HB   GLU  17          1HB       GLU  17   2.154  15.331  -3.288
  121   2HB   GLU  17          2HB       GLU  17   1.202  16.655  -2.599
  122   1HG   GLU  17          2HG       GLU  17   3.722  15.401  -1.409
  123   2HG   GLU  17          1HG       GLU  17   3.534  17.025  -2.064
  124    H    SER  18           H        SER  18  -0.832  13.050  -0.972
  125    HA   SER  18           HA       SER  18  -2.136  12.783  -3.597
  126   1HB   SER  18          1HB       SER  18  -3.256  10.891  -2.318
  127   2HB   SER  18          2HB       SER  18  -1.496  10.765  -2.493
  128    HG   SER  18           HG       SER  18  -1.279  10.948  -0.399
  129    H    SER  19           H        SER  19  -4.492  12.823  -3.741
  130    HA   SER  19           HA       SER  19  -5.800  14.895  -2.099
  131   1HB   SER  19          2HB       SER  19  -7.565  14.459  -3.927
  132   2HB   SER  19          1HB       SER  19  -6.018  15.151  -4.461
  133    HG   SER  19           HG       SER  19  -6.596  13.374  -5.782
  134    H    VAL  20           H        VAL  20  -6.758  11.825  -3.537
  135    HA   VAL  20           HA       VAL  20  -8.486  11.026  -1.265
  136    HB   VAL  20           HB       VAL  20  -8.866   9.005  -2.606
  137   1HG1  VAL  20          1HG1      VAL  20  -7.049  10.211  -4.734
  138   2HG1  VAL  20          2HG1      VAL  20  -6.672   8.792  -3.735
  139   3HG1  VAL  20          3HG1      VAL  20  -8.028   8.742  -4.865
  140   1HG2  VAL  20          1HG2      VAL  20 -10.104  10.051  -4.427
  141   2HG2  VAL  20          2HG2      VAL  20 -10.268  11.007  -2.944
  142   3HG2  VAL  20          3HG2      VAL  20  -9.179  11.555  -4.239
  143    HA   PRO  21           HA       PRO  21  -5.294   8.945   0.877
  144   1HB   PRO  21          1HB       PRO  21  -6.940   6.524   1.365
  145   2HB   PRO  21          2HB       PRO  21  -6.266   7.651   2.563
  146   1HG   PRO  21          2HG       PRO  21  -8.923   7.538   1.949
  147   2HG   PRO  21          1HG       PRO  21  -8.126   9.068   2.420
  148   1HD   PRO  21          2HD       PRO  21  -8.842   8.147  -0.380
  149   2HD   PRO  21          1HD       PRO  21  -9.040   9.721   0.354
  150    H    VAL  22           H        VAL  22  -3.996   6.962   0.854
  151    HA   VAL  22           HA       VAL  22  -3.998   5.579  -1.801
  152    HB   VAL  22           HB       VAL  22  -1.637   6.876  -0.378
  153   1HG1  VAL  22          1HG1      VAL  22  -1.946   5.483  -3.064
  154   2HG1  VAL  22          2HG1      VAL  22  -0.911   5.015  -1.712
  155   3HG1  VAL  22          3HG1      VAL  22  -0.553   6.476  -2.639
  156   1HG2  VAL  22          1HG2      VAL  22  -1.703   8.515  -2.218
  157   2HG2  VAL  22          2HG2      VAL  22  -3.092   8.649  -1.158
  158   3HG2  VAL  22          3HG2      VAL  22  -3.262   7.873  -2.746
  159    H    LEU  23           H        LEU  23  -4.150   3.430  -1.413
  160    HA   LEU  23           HA       LEU  23  -3.078   2.172   1.028
  161   1HB   LEU  23          2HB       LEU  23  -5.235   1.527  -0.051
  162   2HB   LEU  23          1HB       LEU  23  -4.374   0.958  -1.463
  163    HG   LEU  23           HG       LEU  23  -3.906  -0.143   1.348
  164   1HD1  LEU  23          1HD2      LEU  23  -3.205  -2.197  -0.013
  165   2HD1  LEU  23          2HD2      LEU  23  -2.094  -0.834  -0.123
  166   3HD1  LEU  23          3HD2      LEU  23  -3.226  -1.168  -1.450
  167   1HD2  LEU  23          1HD1      LEU  23  -5.792  -1.149  -0.824
  168   2HD2  LEU  23          2HD1      LEU  23  -6.277  -0.408   0.718
  169   3HD2  LEU  23          3HD1      LEU  23  -5.441  -1.967   0.714
  170    H    VAL  24           H        VAL  24  -0.833   2.041   1.040
  171    HA   VAL  24           HA       VAL  24   0.604   1.348  -1.484
  172    HB   VAL  24           HB       VAL  24   1.661   2.446   1.151
  173   1HG1  VAL  24          1HG1      VAL  24   3.346   1.077  -0.056
  174   2HG1  VAL  24          2HG1      VAL  24   3.743   2.791  -0.167
  175   3HG1  VAL  24          3HG1      VAL  24   3.000   1.966  -1.553
  176   1HG2  VAL  24          1HG2      VAL  24   2.093   4.472  -0.224
  177   2HG2  VAL  24          2HG2      VAL  24   0.369   4.164   0.026
  178   3HG2  VAL  24          3HG2      VAL  24   1.134   3.772  -1.540
  179    H    ASP  25           HN       ASP  25   0.977  -0.821  -1.701
  180    HA   ASP  25           HA       ASP  25   1.344  -2.505   0.728
  181   1HB   ASP  25          1HB       ASP  25  -0.017  -3.472  -1.041
  182   2HB   ASP  25          2HB       ASP  25   1.280  -3.208  -2.221
  183    H    PHE  26           H        PHE  26   3.428  -2.368   1.612
  184    HA   PHE  26           HA       PHE  26   5.711  -1.661  -0.127
  185   1HB   PHE  26          1HB       PHE  26   5.481  -2.435   2.793
  186   2HB   PHE  26          2HB       PHE  26   7.011  -2.288   1.956
  187    HD1  PHE  26           HD1      PHE  26   3.849  -0.214   2.354
  188    HD2  PHE  26           HD2      PHE  26   8.165  -0.282   2.164
  189    HE1  PHE  26           HE1      PHE  26   3.916   2.178   2.908
  190    HE2  PHE  26           HE2      PHE  26   8.227   2.067   2.922
  191    HZ   PHE  26           HZ       PHE  26   6.100   3.314   3.314
  192    H    TRP  27           H        TRP  27   6.507  -3.227  -1.447
  193    HA   TRP  27           HA       TRP  27   6.293  -6.093  -0.626
  194   1HB   TRP  27          2HB       TRP  27   5.479  -6.693  -2.796
  195   2HB   TRP  27          1HB       TRP  27   4.458  -5.379  -2.257
  196    HD1  TRP  27           HD1      TRP  27   5.356  -2.895  -3.277
  197    HE1  TRP  27           HE1      TRP  27   6.485  -2.278  -5.531
  198    HE3  TRP  27           HE3      TRP  27   6.436  -7.602  -4.951
  199    HZ2  TRP  27           HZ2      TRP  27   7.968  -3.675  -7.576
  200    HZ3  TRP  27           HZ3      TRP  27   7.582  -7.914  -7.100
  201    HH2  TRP  27           HH2      TRP  27   8.350  -5.967  -8.429
  202    H    ALA  28           H        ALA  28   7.436  -7.321  -2.639
  203    HA   ALA  28           HA       ALA  28   9.603  -6.032  -3.914
  204   1HB   ALA  28          1HB       ALA  28  10.708  -6.170  -1.683
  205   2HB   ALA  28          2HB       ALA  28  10.371  -7.922  -1.644
  206   3HB   ALA  28          3HB       ALA  28  11.480  -7.251  -2.855
  207    HA   PRO  29           HA       PRO  29   8.746  -9.641  -6.411
  208   1HB   PRO  29          1HB       PRO  29  11.260 -10.251  -7.464
  209   2HB   PRO  29          2HB       PRO  29  10.134  -8.996  -8.068
  210   1HG   PRO  29          1HG       PRO  29  12.473  -8.625  -6.171
  211   2HG   PRO  29          2HG       PRO  29  12.056  -7.646  -7.609
  212   1HD   PRO  29          2HD       PRO  29  11.313  -6.732  -5.203
  213   2HD   PRO  29          1HD       PRO  29  10.137  -6.727  -6.509
  214    H    TRP  30           H        TRP  30  11.723 -10.004  -4.408
  215    HA   TRP  30           HA       TRP  30  11.586 -12.859  -4.319
  216   1HB   TRP  30          1HB       TRP  30  13.128 -12.623  -2.410
  217   2HB   TRP  30          2HB       TRP  30  13.623 -11.706  -3.825
  218    HD1  TRP  30           HD1      TRP  30  14.135  -9.223  -3.499
  219    HE1  TRP  30           HE1      TRP  30  14.051  -7.554  -1.526
  220    HE3  TRP  30           HE3      TRP  30  11.658 -12.103  -0.050
  221    HZ2  TRP  30           HZ2      TRP  30  12.973  -7.446   1.111
  222    HZ3  TRP  30           HZ3      TRP  30  11.028 -11.146   2.139
  223    HH2  TRP  30           HH2      TRP  30  11.597  -8.794   2.696
  224    H    CYS  31           H        CYS  31   9.626 -10.456  -2.706
  225    HA   CYS  31           HA       CYS  31   9.127 -12.072  -0.305
  226   1HB   CYS  31          2HB       CYS  31   9.121  -9.679  -0.101
  227   2HB   CYS  31          1HB       CYS  31   7.885  -9.525  -1.352
  228    H    GLY  32           H        GLY  32   8.497 -14.013  -1.441
  229   1HA   GLY  32          1HA       GLY  32   6.378 -14.560  -3.057
  230   2HA   GLY  32          2HA       GLY  32   6.741 -15.556  -1.643
  231    HA   PRO  33           HA       PRO  33   3.066 -14.316   0.458
  232   1HB   PRO  33          1HB       PRO  33   4.418 -12.386   2.329
  233   2HB   PRO  33          2HB       PRO  33   3.289 -13.720   2.714
  234   1HG   PRO  33          1HG       PRO  33   5.892 -13.995   3.161
  235   2HG   PRO  33          2HG       PRO  33   4.981 -15.347   2.415
  236   1HD   PRO  33          1HD       PRO  33   6.745 -13.331   1.012
  237   2HD   PRO  33          2HD       PRO  33   6.641 -15.097   0.757
  238    H    CYS  34           H        CYS  34   5.078 -11.605  -0.598
  239    HA   CYS  34           HA       CYS  34   2.895  -9.637  -0.547
  240   1HB   CYS  34          2HB       CYS  34   5.535  -9.419  -2.037
  241   2HB   CYS  34          1HB       CYS  34   4.350  -8.184  -1.645
  242    H    ARG  35           HN       ARG  35   4.873 -11.420  -2.880
  243    HA   ARG  35           HA       ARG  35   3.813 -10.766  -5.326
  244   1HB   ARG  35          2HB       ARG  35   5.747 -12.360  -4.574
  245   2HB   ARG  35          1HB       ARG  35   4.528 -13.632  -4.605
  246   1HG   ARG  35          2HG       ARG  35   4.041 -12.981  -7.020
  247   2HG   ARG  35          1HG       ARG  35   5.445 -11.897  -6.932
  248   1HD   ARG  35          2HD       ARG  35   5.396 -14.906  -6.515
  249   2HD   ARG  35          1HD       ARG  35   6.114 -14.059  -7.894
  250    HE   ARG  35           HE       ARG  35   7.606 -12.933  -6.069
  251   1HH1  ARG  35          2HH2      ARG  35   6.683 -16.369  -6.074
  252   2HH1  ARG  35          1HH2      ARG  35   7.989 -16.826  -5.017
  253   1HH2  ARG  35          1HH1      ARG  35   9.243 -13.520  -4.782
  254   2HH2  ARG  35          2HH1      ARG  35   9.486 -15.161  -4.221
  255    H    ILE  36           H        ILE  36   2.659 -13.363  -3.140
  256    HA   ILE  36           HA       ILE  36   0.491 -14.078  -4.920
  257    HB   ILE  36           HB       ILE  36  -0.295 -15.545  -3.127
  258   1HG1  ILE  36          2HG1      ILE  36   1.519 -15.712  -1.161
  259   2HG1  ILE  36          1HG1      ILE  36   1.641 -13.978  -1.440
  260   1HG2  ILE  36          1HG2      ILE  36   1.659 -16.990  -3.127
  261   2HG2  ILE  36          2HG2      ILE  36   1.513 -16.189  -4.697
  262   3HG2  ILE  36          3HG2      ILE  36   2.728 -15.635  -3.529
  263   1HD1  ILE  36          1HD1      ILE  36  -0.851 -15.597  -0.730
  264   2HD1  ILE  36          2HD1      ILE  36   0.001 -14.441   0.312
  265   3HD1  ILE  36          3HD1      ILE  36  -0.896 -13.868  -1.107
  266    H    ILE  37           H        ILE  37   0.595 -11.479  -2.449
  267    HA   ILE  37           HA       ILE  37  -2.387 -11.352  -2.563
  268    HB   ILE  37           HB       ILE  37  -2.219  -9.452  -1.078
  269   1HG1  ILE  37          2HG1      ILE  37   0.734 -10.017  -0.773
  270   2HG1  ILE  37          1HG1      ILE  37   0.125  -8.713  -1.811
  271   1HG2  ILE  37          1HG2      ILE  37  -1.668 -10.723   0.917
  272   2HG2  ILE  37          2HG2      ILE  37  -2.394 -11.825  -0.253
  273   3HG2  ILE  37          3HG2      ILE  37  -0.635 -11.826  -0.008
  274   1HD1  ILE  37          1HD1      ILE  37  -1.026  -7.711   0.111
  275   2HD1  ILE  37          2HD1      ILE  37   0.736  -7.794   0.307
  276   3HD1  ILE  37          3HD1      ILE  37  -0.298  -8.940   1.180
  277    H    ALA  38           H        ALA  38   0.460  -9.893  -3.993
  278    HA   ALA  38           HA       ALA  38  -0.230  -7.492  -4.940
  279   1HB   ALA  38          1HB       ALA  38   1.216  -7.923  -6.855
  280   2HB   ALA  38          2HB       ALA  38   0.971  -9.661  -6.715
  281   3HB   ALA  38          3HB       ALA  38   1.852  -8.780  -5.448
  282    HA   PRO  39           HA       PRO  39  -2.891  -8.993  -8.668
  283   1HB   PRO  39          1HB       PRO  39  -4.117 -11.563  -7.838
  284   2HB   PRO  39          2HB       PRO  39  -3.293 -11.170  -9.368
  285   1HG   PRO  39          2HG       PRO  39  -2.148 -12.848  -7.517
  286   2HG   PRO  39          1HG       PRO  39  -1.155 -11.676  -8.440
  287   1HD   PRO  39          2HD       PRO  39  -2.381 -11.293  -5.700
  288   2HD   PRO  39          1HD       PRO  39  -0.710 -11.118  -6.079
  289    H    VAL  40           H        VAL  40  -3.669  -9.877  -5.385
  290    HA   VAL  40           HA       VAL  40  -6.505  -9.294  -5.437
  291    HB   VAL  40           HB       VAL  40  -4.597 -10.807  -3.885
  292   1HG1  VAL  40          1HG1      VAL  40  -4.315  -8.957  -2.344
  293   2HG1  VAL  40          2HG1      VAL  40  -5.154 -10.330  -1.632
  294   3HG1  VAL  40          3HG1      VAL  40  -6.068  -8.871  -2.120
  295   1HG2  VAL  40          1HG2      VAL  40  -7.585 -10.544  -3.673
  296   2HG2  VAL  40          2HG2      VAL  40  -6.666 -11.660  -4.693
  297   3HG2  VAL  40          3HG2      VAL  40  -6.584 -11.810  -2.930
  298    H    VAL  41           H        VAL  41  -3.427  -7.730  -4.454
  299    HA   VAL  41           HA       VAL  41  -4.571  -5.338  -3.369
  300    HB   VAL  41           HB       VAL  41  -1.930  -5.708  -4.852
  301   1HG1  VAL  41          1HG1      VAL  41  -0.901  -5.898  -2.646
  302   2HG1  VAL  41          2HG1      VAL  41  -2.483  -5.729  -1.853
  303   3HG1  VAL  41          3HG1      VAL  41  -2.111  -7.162  -2.814
  304   1HG2  VAL  41          1HG2      VAL  41  -2.498  -3.342  -4.745
  305   2HG2  VAL  41          2HG2      VAL  41  -1.213  -3.690  -3.588
  306   3HG2  VAL  41          3HG2      VAL  41  -2.877  -3.477  -3.013
  307    H    ASP  42           HN       ASP  42  -3.580  -6.269  -6.685
  308    HA   ASP  42           HA       ASP  42  -4.438  -3.907  -8.030
  309   1HB   ASP  42          1HB       ASP  42  -4.025  -6.791  -8.800
  310   2HB   ASP  42          2HB       ASP  42  -4.885  -5.757  -9.925
  311    H    GLU  43           HN       GLU  43  -6.293  -6.987  -7.525
  312    HA   GLU  43           HA       GLU  43  -8.727  -6.151  -8.596
  313   1HB   GLU  43          2HB       GLU  43  -8.303  -8.432  -7.543
  314   2HB   GLU  43          1HB       GLU  43  -8.338  -7.573  -5.972
  315   1HG   GLU  43          1HG       GLU  43 -10.392  -8.749  -6.297
  316   2HG   GLU  43          2HG       GLU  43 -10.592  -7.003  -6.080
  317    H    ILE  44           H        ILE  44  -7.492  -5.642  -5.280
  318    HA   ILE  44           HA       ILE  44  -9.798  -4.296  -4.281
  319    HB   ILE  44           HB       ILE  44  -6.898  -4.276  -3.382
  320   1HG1  ILE  44          1HG1      ILE  44  -9.320  -5.486  -1.975
  321   2HG1  ILE  44          2HG1      ILE  44  -8.540  -6.374  -3.263
  322   1HG2  ILE  44          1HG2      ILE  44  -7.940  -2.217  -2.603
  323   2HG2  ILE  44          2HG2      ILE  44  -7.927  -3.354  -1.239
  324   3HG2  ILE  44          3HG2      ILE  44  -9.415  -3.130  -2.189
  325   1HD1  ILE  44          1HD1      ILE  44  -7.251  -5.422  -0.672
  326   2HD1  ILE  44          2HD1      ILE  44  -6.332  -6.136  -2.010
  327   3HD1  ILE  44          3HD1      ILE  44  -7.552  -7.090  -1.165
  328    H    ALA  45           H        ALA  45  -6.884  -3.066  -5.974
  329    HA   ALA  45           HA       ALA  45  -7.472  -0.302  -5.769
  330   1HB   ALA  45          1HB       ALA  45  -6.428  -1.645  -8.286
  331   2HB   ALA  45          2HB       ALA  45  -5.423  -1.408  -6.851
  332   3HB   ALA  45          3HB       ALA  45  -6.119  -0.014  -7.723
  333    H    GLY  46           H        GLY  46  -8.986  -2.880  -7.718
  334   1HA   GLY  46          1HA       GLY  46 -10.465  -1.085  -9.480
  335   2HA   GLY  46          2HA       GLY  46 -10.698  -2.829  -9.237
  336    H    GLU  47           HN       GLU  47 -11.200  -3.276  -6.692
  337    HA   GLU  47           HA       GLU  47 -13.861  -2.596  -6.303
  338   1HB   GLU  47          2HB       GLU  47 -11.836  -3.065  -4.061
  339   2HB   GLU  47          1HB       GLU  47 -13.588  -3.207  -3.971
  340   1HG   GLU  47          2HG       GLU  47 -13.301  -4.920  -5.973
  341   2HG   GLU  47          1HG       GLU  47 -11.632  -4.989  -5.451
  342    H    TYR  48           H        TYR  48 -11.125  -0.825  -4.884
  343    HA   TYR  48           HA       TYR  48 -13.025   1.335  -3.985
  344   1HB   TYR  48          1HB       TYR  48 -10.167   0.811  -3.134
  345   2HB   TYR  48          2HB       TYR  48 -11.313   1.924  -2.382
  346    HD1  TYR  48           HD1      TYR  48 -13.795   0.368  -2.127
  347    HD2  TYR  48           HD2      TYR  48  -9.695  -0.817  -1.481
  348    HE1  TYR  48           HE1      TYR  48 -14.561  -1.503  -0.726
  349    HE2  TYR  48           HE2      TYR  48 -10.484  -2.716  -0.082
  350    HH   TYR  48           HH       TYR  48 -13.947  -3.333   0.508
  351    H    LYS  49           HN       LYS  49 -11.789   1.008  -6.796
  352    HA   LYS  49           HA       LYS  49  -9.897   2.913  -7.357
  353   1HB   LYS  49          2HB       LYS  49 -10.977   1.359  -8.989
  354   2HB   LYS  49          1HB       LYS  49 -12.463   2.301  -8.907
  355   1HG   LYS  49          2HG       LYS  49 -11.206   2.761 -10.933
  356   2HG   LYS  49          1HG       LYS  49 -11.324   4.227  -9.947
  357   1HD   LYS  49          1HD       LYS  49  -9.021   4.023  -9.222
  358   2HD   LYS  49          2HD       LYS  49  -8.909   2.364  -9.832
  359   1HE   LYS  49          2HE       LYS  49  -7.738   3.937 -11.320
  360   2HE   LYS  49          1HE       LYS  49  -9.090   3.158 -12.155
  361   1HZ   LYS  49          1HZ       LYS  49  -9.137   5.849 -10.975
  362   2HZ   LYS  49          2HZ       LYS  49 -10.381   5.130 -11.782
  363   3HZ   LYS  49          3HZ       LYS  49  -8.990   5.505 -12.580
  364    H    ASP  50           HN       ASP  50 -13.317   3.424  -6.767
  365    HA   ASP  50           HA       ASP  50 -13.680   6.113  -7.460
  366   1HB   ASP  50          2HB       ASP  50 -15.517   4.636  -6.930
  367   2HB   ASP  50          1HB       ASP  50 -14.925   4.343  -5.301
  368    H    LYS  51           HN       LYS  51 -13.338   4.971  -4.130
  369    HA   LYS  51           HA       LYS  51 -12.698   7.659  -3.205
  370   1HB   LYS  51          1HB       LYS  51 -12.918   6.675  -1.009
  371   2HB   LYS  51          2HB       LYS  51 -14.304   6.290  -2.016
  372   1HG   LYS  51          2HG       LYS  51 -12.866   3.998  -2.417
  373   2HG   LYS  51          1HG       LYS  51 -12.151   4.527  -0.896
  374   1HD   LYS  51          2HD       LYS  51 -13.898   3.062  -0.288
  375   2HD   LYS  51          1HD       LYS  51 -14.517   4.680   0.060
  376   1HE   LYS  51          1HE       LYS  51 -15.824   4.651  -2.050
  377   2HE   LYS  51          2HE       LYS  51 -15.133   3.072  -2.469
  378   1HZ   LYS  51          1HZ       LYS  51 -16.194   2.157  -0.545
  379   2HZ   LYS  51          2HZ       LYS  51 -17.311   2.921  -1.479
  380   3HZ   LYS  51          3HZ       LYS  51 -16.771   3.611  -0.083
  381    H    LEU  52           H        LEU  52 -10.650   4.921  -4.015
  382    HA   LEU  52           HA       LEU  52  -8.535   6.051  -2.203
  383   1HB   LEU  52          1HB       LEU  52 -10.084   3.920  -1.576
  384   2HB   LEU  52          2HB       LEU  52  -8.898   3.094  -2.591
  385    HG   LEU  52           HG       LEU  52  -7.175   4.382  -0.979
  386   1HD1  LEU  52          1HD1      LEU  52  -9.012   5.723   0.090
  387   2HD1  LEU  52          2HD1      LEU  52  -9.785   4.217   0.627
  388   3HD1  LEU  52          3HD1      LEU  52  -8.212   4.673   1.286
  389   1HD2  LEU  52          1HD2      LEU  52  -7.412   1.931  -1.101
  390   2HD2  LEU  52          2HD2      LEU  52  -8.881   2.000  -0.103
  391   3HD2  LEU  52          3HD2      LEU  52  -7.311   2.460   0.592
  392    H    LYS  53           HN       LYS  53  -6.507   6.132  -3.007
  393    HA   LYS  53           HA       LYS  53  -5.980   5.075  -5.714
  394   1HB   LYS  53          2HB       LYS  53  -4.951   7.213  -4.127
  395   2HB   LYS  53          1HB       LYS  53  -3.674   6.021  -4.186
  396   1HG   LYS  53          1HG       LYS  53  -5.038   7.175  -6.646
  397   2HG   LYS  53          2HG       LYS  53  -3.484   7.685  -5.967
  398   1HD   LYS  53          2HD       LYS  53  -2.668   5.283  -6.236
  399   2HD   LYS  53          1HD       LYS  53  -4.141   4.964  -7.183
  400   1HE   LYS  53          1HE       LYS  53  -3.500   6.704  -8.801
  401   2HE   LYS  53          2HE       LYS  53  -2.051   7.077  -7.848
  402   1HZ   LYS  53          1HZ       LYS  53  -2.636   4.495  -9.119
  403   2HZ   LYS  53          2HZ       LYS  53  -1.560   5.621  -9.658
  404   3HZ   LYS  53          3HZ       LYS  53  -1.295   4.846  -8.227
  405    H    CYS  54           H        CYS  54  -4.336   3.316  -5.953
  406    HA   CYS  54           HA       CYS  54  -3.644   1.842  -3.477
  407   1HB   CYS  54          1HB       CYS  54  -5.727   0.817  -4.350
  408   2HB   CYS  54          2HB       CYS  54  -4.923   0.632  -5.930
  409    HG   CYS  54           HG       CYS  54  -4.928  -1.703  -4.775
  410    H    VAL  55           H        VAL  55  -1.599   0.979  -3.586
  411    HA   VAL  55           HA       VAL  55  -0.171   0.967  -6.142
  412    HB   VAL  55           HB       VAL  55   1.393   2.491  -4.163
  413   1HG1  VAL  55          1HG1      VAL  55  -0.752   3.421  -3.418
  414   2HG1  VAL  55          2HG1      VAL  55   0.313   4.605  -4.185
  415   3HG1  VAL  55          3HG1      VAL  55  -1.074   3.979  -5.084
  416   1HG2  VAL  55          1HG2      VAL  55   1.989   2.349  -6.511
  417   2HG2  VAL  55          2HG2      VAL  55   1.652   4.029  -6.072
  418   3HG2  VAL  55          3HG2      VAL  55   0.444   3.105  -6.981
  419    H    LYS  56           HN       LYS  56   2.039   0.261  -5.964
  420    HA   LYS  56           HA       LYS  56   2.601  -1.456  -3.591
  421   1HB   LYS  56          1HB       LYS  56   3.314  -1.965  -6.489
  422   2HB   LYS  56          2HB       LYS  56   3.446  -3.077  -5.102
  423   1HG   LYS  56          2HG       LYS  56   0.898  -2.889  -4.880
  424   2HG   LYS  56          1HG       LYS  56   0.933  -2.057  -6.450
  425   1HD   LYS  56          2HD       LYS  56   2.316  -4.134  -7.259
  426   2HD   LYS  56          1HD       LYS  56   1.674  -4.921  -5.800
  427   1HE   LYS  56          1HE       LYS  56  -0.656  -4.225  -6.579
  428   2HE   LYS  56          2HE       LYS  56   0.100  -3.613  -8.072
  429   1HZ   LYS  56          1HZ       LYS  56  -0.704  -5.761  -8.468
  430   2HZ   LYS  56          2HZ       LYS  56   0.938  -5.894  -8.391
  431   3HZ   LYS  56          3HZ       LYS  56  -0.008  -6.374  -7.120
  432    H    LEU  57           H        LEU  57   4.391  -0.757  -2.518
  433    HA   LEU  57           HA       LEU  57   6.399   0.933  -3.946
  434   1HB   LEU  57          1HB       LEU  57   5.428   1.974  -2.015
  435   2HB   LEU  57          2HB       LEU  57   5.785   0.560  -0.997
  436    HG   LEU  57           HG       LEU  57   8.176   1.036  -1.155
  437   1HD1  LEU  57          1HD2      LEU  57   8.446   1.952  -3.361
  438   2HD1  LEU  57          2HD2      LEU  57   7.258   3.247  -3.062
  439   3HD1  LEU  57          3HD2      LEU  57   8.818   3.281  -2.241
  440   1HD2  LEU  57          1HD1      LEU  57   6.547   2.286   0.409
  441   2HD2  LEU  57          2HD1      LEU  57   6.762   3.668  -0.655
  442   3HD2  LEU  57          3HD1      LEU  57   8.168   2.998   0.196
  443    H    ASN  58           H        ASN  58   8.150  -0.062  -4.686
  444    HA   ASN  58           HA       ASN  58   8.846  -2.757  -3.783
  445   1HB   ASN  58          1HB       ASN  58   9.224  -2.039  -6.104
  446   2HB   ASN  58          2HB       ASN  58  10.429  -0.873  -5.550
  447   1HD2  ASN  58          2HD2      ASN  58  10.190  -3.892  -6.885
  448   2HD2  ASN  58          1HD2      ASN  58  11.656  -4.599  -6.225
  449    H    THR  59           H        THR  59   9.690  -3.110  -1.930
  450    HA   THR  59           HA       THR  59  10.653  -1.120  -0.128
  451    HB   THR  59           HB       THR  59  10.812  -4.173  -0.104
  452    HG1  THR  59           HG1      THR  59   8.723  -3.500  -0.259
  453   1HG2  THR  59          1HG2      THR  59  11.076  -2.137   2.133
  454   2HG2  THR  59          2HG2      THR  59  10.892  -3.899   2.354
  455   3HG2  THR  59          3HG2      THR  59  12.333  -3.257   1.553
  456    H    ASP  60           HN       ASP  60  12.254  -3.513  -2.196
  457    HA   ASP  60           HA       ASP  60  14.905  -3.241  -1.040
  458   1HB   ASP  60          2HB       ASP  60  14.259  -5.270  -2.101
  459   2HB   ASP  60          1HB       ASP  60  13.682  -4.436  -3.529
  460    H    GLU  61           HN       GLU  61  13.080  -1.758  -3.660
  461    HA   GLU  61           HA       GLU  61  15.274  -0.098  -4.624
  462   1HB   GLU  61          2HB       GLU  61  13.195  -1.050  -5.891
  463   2HB   GLU  61          1HB       GLU  61  12.315   0.305  -5.138
  464   1HG   GLU  61          2HG       GLU  61  13.940   1.881  -6.227
  465   2HG   GLU  61          1HG       GLU  61  14.786   0.482  -6.881
  466    H    SER  62           H        SER  62  12.730   0.141  -2.241
  467    HA   SER  62           HA       SER  62  13.378   2.993  -1.663
  468   1HB   SER  62          1HB       SER  62  10.685   1.714  -1.121
  469   2HB   SER  62          2HB       SER  62  11.178   3.414  -1.273
  470    HG   SER  62           HG       SER  62  10.939   1.375  -3.233
  471    HA   PRO  63           HA       PRO  63  13.987   0.242   2.156
  472   1HB   PRO  63          1HB       PRO  63  16.671   0.654   2.557
  473   2HB   PRO  63          2HB       PRO  63  16.026  -0.633   1.498
  474   1HG   PRO  63          1HG       PRO  63  17.032   2.099   0.663
  475   2HG   PRO  63          2HG       PRO  63  17.433   0.510  -0.053
  476   1HD   PRO  63          1HD       PRO  63  15.510   2.096  -1.157
  477   2HD   PRO  63          2HD       PRO  63  15.275   0.338  -1.067
  478    H    ASN  64           H        ASN  64  15.043   3.337   1.008
  479    HA   ASN  64           HA       ASN  64  15.562   4.924   3.238
  480   1HB   ASN  64          1HB       ASN  64  14.154   6.694   1.796
  481   2HB   ASN  64          2HB       ASN  64  15.775   6.167   1.372
  482   1HD2  ASN  64          2HD2      ASN  64  16.039   5.695  -0.761
  483   2HD2  ASN  64          1HD2      ASN  64  14.811   4.950  -1.761
  484    H    VAL  65           H        VAL  65  12.400   5.022   1.711
  485    HA   VAL  65           HA       VAL  65  10.958   6.169   3.794
  486    HB   VAL  65           HB       VAL  65  10.072   4.223   1.614
  487   1HG1  VAL  65          1HG2      VAL  65   8.352   4.356   3.414
  488   2HG1  VAL  65          2HG2      VAL  65   7.825   5.114   1.910
  489   3HG1  VAL  65          3HG2      VAL  65   8.367   6.126   3.272
  490   1HG2  VAL  65          1HG1      VAL  65  11.120   6.298   0.751
  491   2HG2  VAL  65          2HG1      VAL  65  10.070   7.274   1.785
  492   3HG2  VAL  65          3HG1      VAL  65   9.381   6.317   0.453
  493    H    ALA  66           H        ALA  66  11.282   2.728   3.039
  494    HA   ALA  66           HA       ALA  66   9.693   1.717   5.164
  495   1HB   ALA  66          1HB       ALA  66  10.430   0.354   3.271
  496   2HB   ALA  66          2HB       ALA  66  10.869  -0.400   4.818
  497   3HB   ALA  66          3HB       ALA  66  12.114   0.428   3.857
  498    H    SER  67           H        SER  67  13.176   2.612   5.176
  499    HA   SER  67           HA       SER  67  13.657   1.605   7.848
  500   1HB   SER  67          2HB       SER  67  15.195   3.662   6.197
  501   2HB   SER  67          1HB       SER  67  15.745   2.902   7.702
  502    HG   SER  67           HG       SER  67  15.117   1.588   5.267
  503    H    GLU  68           HN       GLU  68  12.905   4.787   6.439
  504    HA   GLU  68           HA       GLU  68  12.975   6.342   8.827
  505   1HB   GLU  68          1HB       GLU  68  11.237   6.584   6.331
  506   2HB   GLU  68          2HB       GLU  68  11.320   7.806   7.595
  507   1HG   GLU  68          2HG       GLU  68  13.615   8.293   7.147
  508   2HG   GLU  68          1HG       GLU  68  13.833   6.845   6.163
  509    H    TYR  69           H        TYR  69  10.359   4.431   7.345
  510    HA   TYR  69           HA       TYR  69   8.494   4.941   9.523
  511   1HB   TYR  69          1HB       TYR  69   8.527   3.487   6.904
  512   2HB   TYR  69          2HB       TYR  69   7.494   2.783   8.095
  513    HD1  TYR  69           HD1      TYR  69   7.900   5.498   5.727
  514    HD2  TYR  69           HD2      TYR  69   5.873   4.431   9.372
  515    HE1  TYR  69           HE1      TYR  69   6.486   7.537   5.546
  516    HE2  TYR  69           HE2      TYR  69   4.487   6.484   9.204
  517    HH   TYR  69           HH       TYR  69   4.147   8.446   8.074
  518    H    GLY  70           H        GLY  70  10.925   2.484   8.905
  519   1HA   GLY  70          2HA       GLY  70  11.876   1.050  10.438
  520   2HA   GLY  70          1HA       GLY  70  10.696   1.544  11.662
  521    H    ILE  71           H        ILE  71  10.318   0.168   8.363
  522    HA   ILE  71           HA       ILE  71   8.212  -1.618   9.249
  523    HB   ILE  71           HB       ILE  71   9.782  -1.433   6.648
  524   1HG1  ILE  71          2HG1      ILE  71   7.021  -0.473   7.577
  525   2HG1  ILE  71          1HG1      ILE  71   8.419   0.539   7.200
  526   1HG2  ILE  71          1HG2      ILE  71   7.977  -2.874   5.694
  527   2HG2  ILE  71          2HG2      ILE  71   8.915  -3.726   6.903
  528   3HG2  ILE  71          3HG2      ILE  71   7.314  -3.088   7.331
  529   1HD1  ILE  71          1HD1      ILE  71   6.749  -1.061   5.241
  530   2HD1  ILE  71          2HD1      ILE  71   8.326  -0.339   4.839
  531   3HD1  ILE  71          3HD1      ILE  71   6.971   0.688   5.361
  532    H    ARG  72           HN       ARG  72   8.349  -3.582  10.094
  533    HA   ARG  72           HA       ARG  72  10.924  -4.713  10.772
  534   1HB   ARG  72          2HB       ARG  72   8.980  -4.739  12.293
  535   2HB   ARG  72          1HB       ARG  72   8.074  -5.723  11.129
  536   1HG   ARG  72          2HG       ARG  72   9.782  -7.543  11.385
  537   2HG   ARG  72          1HG       ARG  72  10.650  -6.546  12.548
  538   1HD   ARG  72          2HD       ARG  72   9.185  -8.290  13.608
  539   2HD   ARG  72          1HD       ARG  72   8.829  -6.640  14.117
  540    HE   ARG  72           HE       ARG  72   6.725  -6.857  13.342
  541   1HH1  ARG  72          2HH1      ARG  72   8.661  -9.160  11.444
  542   2HH1  ARG  72          1HH1      ARG  72   7.278 -10.010  10.840
  543   1HH2  ARG  72          2HH2      ARG  72   4.932  -7.933  12.494
  544   2HH2  ARG  72          1HH2      ARG  72   5.127  -9.275  11.403
  545    H    SER  73           H        SER  73   8.251  -5.679   8.528
  546    HA   SER  73           HA       SER  73  10.049  -7.317   6.955
  547   1HB   SER  73          2HB       SER  73   7.712  -8.642   8.421
  548   2HB   SER  73          1HB       SER  73   8.816  -9.420   7.273
  549    HG   SER  73           HG       SER  73  10.400  -8.409   9.044
  550    H    ILE  74           H        ILE  74   8.552  -8.368   5.119
  551    HA   ILE  74           HA       ILE  74   6.311  -6.519   4.572
  552    HB   ILE  74           HB       ILE  74   7.029  -6.651   2.139
  553   1HG1  ILE  74          1HG1      ILE  74   9.772  -7.325   3.196
  554   2HG1  ILE  74          2HG1      ILE  74   8.684  -8.529   2.476
  555   1HG2  ILE  74          1HG2      ILE  74   8.877  -5.199   4.088
  556   2HG2  ILE  74          2HG2      ILE  74   8.489  -4.717   2.428
  557   3HG2  ILE  74          3HG2      ILE  74   7.239  -4.663   3.659
  558   1HD1  ILE  74          1HD1      ILE  74   8.481  -7.080   0.429
  559   2HD1  ILE  74          2HD1      ILE  74   9.726  -6.010   1.109
  560   3HD1  ILE  74          3HD1      ILE  74  10.109  -7.682   0.711
  561    HA   PRO  75           HA       PRO  75   4.910  -6.608   2.393
  562   1HB   PRO  75          2HB       PRO  75   2.209  -6.920   2.379
  563   2HB   PRO  75          1HB       PRO  75   3.290  -7.644   1.172
  564   1HG   PRO  75          1HG       PRO  75   2.158  -8.869   3.678
  565   2HG   PRO  75          2HG       PRO  75   2.191  -9.603   2.041
  566   1HD   PRO  75          1HD       PRO  75   4.048 -10.236   3.984
  567   2HD   PRO  75          2HD       PRO  75   4.493 -10.135   2.261
  568    H    THR  76           H        THR  76   4.052  -4.778   3.113
  569    HA   THR  76           HA       THR  76   2.819  -4.588   5.784
  570    HB   THR  76           HB       THR  76   5.430  -3.260   5.012
  571    HG1  THR  76           HG1      THR  76   5.740  -4.971   6.361
  572   1HG2  THR  76          1HG2      THR  76   3.328  -2.291   6.994
  573   2HG2  THR  76          2HG2      THR  76   4.132  -1.383   5.683
  574   3HG2  THR  76          3HG2      THR  76   5.046  -1.867   7.112
  575    H    ILE  77           H        ILE  77   0.927  -4.003   5.069
  576    HA   ILE  77           HA       ILE  77   0.602  -2.249   2.703
  577    HB   ILE  77           HB       ILE  77  -1.373  -3.839   4.383
  578   1HG1  ILE  77          2HG1      ILE  77  -0.692  -4.441   1.497
  579   2HG1  ILE  77          1HG1      ILE  77   0.348  -5.070   2.776
  580   1HG2  ILE  77          1HG2      ILE  77  -2.469  -1.878   3.404
  581   2HG2  ILE  77          2HG2      ILE  77  -2.956  -3.299   2.478
  582   3HG2  ILE  77          3HG2      ILE  77  -1.710  -2.209   1.835
  583   1HD1  ILE  77          1HD1      ILE  77  -2.642  -5.555   2.629
  584   2HD1  ILE  77          2HD1      ILE  77  -1.366  -6.713   2.211
  585   3HD1  ILE  77          3HD1      ILE  77  -1.542  -6.161   3.883
  586    H    MET  78           H        MET  78   0.554  -0.077   3.159
  587    HA   MET  78           HA       MET  78  -0.712   0.737   5.741
  588   1HB   MET  78          2HB       MET  78   1.682   2.149   4.552
  589   2HB   MET  78          1HB       MET  78   0.939   2.409   6.128
  590   1HG   MET  78          2HG       MET  78   1.584  -0.145   6.512
  591   2HG   MET  78          1HG       MET  78   2.678   0.172   5.170
  592   1HE   MET  78          1HE       MET  78   4.823   1.794   5.442
  593   2HE   MET  78          2HE       MET  78   3.654   3.105   5.763
  594   3HE   MET  78          3HE       MET  78   5.048   2.858   6.842
  595    H    VAL  79           H        VAL  79  -1.624   2.792   5.687
  596    HA   VAL  79           HA       VAL  79  -2.505   3.567   2.914
  597    HB   VAL  79           HB       VAL  79  -4.146   3.725   5.452
  598   1HG1  VAL  79          1HG1      VAL  79  -5.696   2.269   4.196
  599   2HG1  VAL  79          2HG1      VAL  79  -4.121   1.476   4.343
  600   3HG1  VAL  79          3HG1      VAL  79  -4.595   2.244   2.815
  601   1HG2  VAL  79          1HG2      VAL  79  -5.882   4.703   3.895
  602   2HG2  VAL  79          2HG2      VAL  79  -4.610   4.871   2.665
  603   3HG2  VAL  79          3HG2      VAL  79  -4.515   5.771   4.186
  604    H    PHE  80           H        PHE  80  -2.253   5.674   2.404
  605    HA   PHE  80           HA       PHE  80  -1.366   7.574   4.534
  606   1HB   PHE  80          2HB       PHE  80  -0.417   7.284   1.666
  607   2HB   PHE  80          1HB       PHE  80  -0.123   8.685   2.650
  608    HD1  PHE  80           HD1      PHE  80   0.490   4.981   2.621
  609    HD2  PHE  80           HD2      PHE  80   1.812   8.854   3.969
  610    HE1  PHE  80           HE1      PHE  80   2.549   3.964   3.551
  611    HE2  PHE  80           HE2      PHE  80   3.842   7.834   4.930
  612    HZ   PHE  80           HZ       PHE  80   4.197   5.372   4.786
  613    H    LYS  81           HN       LYS  81  -1.647   9.804   3.877
  614    HA   LYS  81           HA       LYS  81  -3.432  10.700   1.854
  615   1HB   LYS  81          2HB       LYS  81  -5.181  11.549   3.618
  616   2HB   LYS  81          1HB       LYS  81  -5.335   9.953   2.924
  617   1HG   LYS  81          1HG       LYS  81  -5.856   9.929   5.288
  618   2HG   LYS  81          2HG       LYS  81  -4.530   8.859   4.885
  619   1HD   LYS  81          2HD       LYS  81  -4.117   9.991   7.012
  620   2HD   LYS  81          1HD       LYS  81  -2.897  10.426   5.843
  621   1HE   LYS  81          1HE       LYS  81  -3.539  12.366   7.111
  622   2HE   LYS  81          2HE       LYS  81  -4.124  12.612   5.466
  623   1HZ   LYS  81          1HZ       LYS  81  -6.289  11.907   6.182
  624   2HZ   LYS  81          2HZ       LYS  81  -5.748  11.668   7.721
  625   3HZ   LYS  81          3HZ       LYS  81  -5.771  13.186   7.080
  626    H    GLY  82           H        GLY  82  -3.551  13.095   2.028
  627   1HA   GLY  82          2HA       GLY  82  -2.518  15.127   2.463
  628   2HA   GLY  82          1HA       GLY  82  -3.074  14.695   4.095
  629    H    GLY  83           H        GLY  83  -0.274  13.478   2.142
  630   1HA   GLY  83          2HA       GLY  83   1.957  13.501   2.570
  631   2HA   GLY  83          1HA       GLY  83   1.690  14.910   3.586
  632    H    LYS  84           HN       LYS  84  -0.023  12.041   4.668
  633    HA   LYS  84           HA       LYS  84   2.206  11.127   6.377
  634   1HB   LYS  84          2HB       LYS  84  -0.413  12.291   7.430
  635   2HB   LYS  84          1HB       LYS  84   0.729  11.350   8.402
  636   1HG   LYS  84          1HG       LYS  84   2.519  13.069   7.718
  637   2HG   LYS  84          2HG       LYS  84   1.176  14.094   7.191
  638   1HD   LYS  84          1HD       LYS  84   1.556  12.908   9.987
  639   2HD   LYS  84          2HD       LYS  84   1.954  14.564   9.507
  640   1HE   LYS  84          1HE       LYS  84  -0.457  14.941   8.888
  641   2HE   LYS  84          2HE       LYS  84  -0.841  13.315   9.488
  642   1HZ   LYS  84          1HZ       LYS  84  -0.063  13.983  11.636
  643   2HZ   LYS  84          2HZ       LYS  84  -1.273  14.974  11.118
  644   3HZ   LYS  84          3HZ       LYS  84   0.289  15.497  11.085
  645    H    LYS  85           HN       LYS  85   1.350   9.362   7.856
  646    HA   LYS  85           HA       LYS  85   0.045   7.335   6.177
  647   1HB   LYS  85          1HB       LYS  85   2.201   6.970   7.419
  648   2HB   LYS  85          2HB       LYS  85   1.284   7.086   8.933
  649   1HG   LYS  85          1HG       LYS  85  -0.051   5.074   8.237
  650   2HG   LYS  85          2HG       LYS  85   0.777   5.088   6.671
  651   1HD   LYS  85          1HD       LYS  85   1.711   3.387   8.041
  652   2HD   LYS  85          2HD       LYS  85   2.933   4.651   7.859
  653   1HE   LYS  85          1HE       LYS  85   2.336   5.493  10.151
  654   2HE   LYS  85          2HE       LYS  85   1.077   4.251  10.269
  655   1HZ   LYS  85          1HZ       LYS  85   3.956   3.758   9.997
  656   2HZ   LYS  85          2HZ       LYS  85   3.068   3.592  11.374
  657   3HZ   LYS  85          3HZ       LYS  85   2.794   2.596  10.089
  658    H    CYS  86           H        CYS  86  -1.632   6.006   7.134
  659    HA   CYS  86           HA       CYS  86  -3.359   7.247   9.243
  660   1HB   CYS  86          2HB       CYS  86  -4.300   7.677   6.989
  661   2HB   CYS  86          1HB       CYS  86  -4.270   5.955   6.622
  662    HG   CYS  86           HG       CYS  86  -6.693   6.485   7.191
  663    H    GLU  87           HN       GLU  87  -3.064   4.326   7.216
  664    HA   GLU  87           HA       GLU  87  -3.540   2.593   9.629
  665   1HB   GLU  87          1HB       GLU  87  -4.044   1.852   6.730
  666   2HB   GLU  87          2HB       GLU  87  -4.536   0.973   8.173
  667   1HG   GLU  87          2HG       GLU  87  -6.133   2.754   8.765
  668   2HG   GLU  87          1HG       GLU  87  -5.596   3.728   7.395
  669    H    THR  88           H        THR  88  -2.473   0.458   9.549
  670    HA   THR  88           HA       THR  88  -0.288  -0.017   7.718
  671    HB   THR  88           HB       THR  88   0.876   1.447   9.223
  672    HG1  THR  88           HG1      THR  88   2.415  -0.070   9.987
  673   1HG2  THR  88          1HG2      THR  88  -0.029  -0.338  11.534
  674   2HG2  THR  88          2HG2      THR  88   1.090   1.030  11.634
  675   3HG2  THR  88          3HG2      THR  88  -0.606   1.315  11.227
  676    H    ILE  89           H        ILE  89  -0.225  -2.189   7.372
  677    HA   ILE  89           HA       ILE  89  -1.226  -4.066   9.447
  678    HB   ILE  89           HB       ILE  89  -1.963  -4.284   6.500
  679   1HG1  ILE  89          2HG1      ILE  89  -3.755  -3.100   8.658
  680   2HG1  ILE  89          1HG1      ILE  89  -3.006  -2.195   7.329
  681   1HG2  ILE  89          1HG2      ILE  89  -3.125  -5.539   9.029
  682   2HG2  ILE  89          2HG2      ILE  89  -3.573  -5.923   7.356
  683   3HG2  ILE  89          3HG2      ILE  89  -1.963  -6.331   7.944
  684   1HD1  ILE  89          1HD1      ILE  89  -4.164  -3.671   5.678
  685   2HD1  ILE  89          2HD1      ILE  89  -5.205  -2.608   6.636
  686   3HD1  ILE  89          3HD1      ILE  89  -5.120  -4.333   7.028
  687    H    ILE  90           H        ILE  90   0.518  -5.410   9.790
  688    HA   ILE  90           HA       ILE  90   2.524  -5.796   7.619
  689    HB   ILE  90           HB       ILE  90   2.715  -6.357  10.604
  690   1HG1  ILE  90          2HG1      ILE  90   3.724  -4.012   8.923
  691   2HG1  ILE  90          1HG1      ILE  90   2.503  -3.949  10.198
  692   1HG2  ILE  90          1HG2      ILE  90   4.813  -6.361   8.377
  693   2HG2  ILE  90          2HG2      ILE  90   4.204  -7.789   9.233
  694   3HG2  ILE  90          3HG2      ILE  90   5.151  -6.596  10.101
  695   1HD1  ILE  90          1HD1      ILE  90   5.470  -4.452  10.559
  696   2HD1  ILE  90          2HD1      ILE  90   4.258  -4.713  11.842
  697   3HD1  ILE  90          3HD1      ILE  90   4.494  -3.100  11.139
  698    H    GLY  91           H        GLY  91   2.879  -7.779   6.757
  699   1HA   GLY  91          2HA       GLY  91   2.980 -10.145   6.825
  700   2HA   GLY  91          1HA       GLY  91   1.625 -10.214   7.961
  701    H    ALA  92           H        ALA  92   1.967 -11.557   5.304
  702    HA   ALA  92           HA       ALA  92   0.233 -10.247   3.396
  703   1HB   ALA  92          1HB       ALA  92   1.145 -13.142   3.648
  704   2HB   ALA  92          2HB       ALA  92   1.966 -11.841   2.753
  705   3HB   ALA  92          3HB       ALA  92   0.371 -12.408   2.227
  706    H    VAL  93           H        VAL  93  -1.489  -9.725   5.039
  707    HA   VAL  93           HA       VAL  93  -3.183 -11.921   5.869
  708    HB   VAL  93           HB       VAL  93  -4.740 -10.245   6.619
  709   1HG1  VAL  93          1HG2      VAL  93  -2.928  -8.136   5.354
  710   2HG1  VAL  93          2HG2      VAL  93  -4.339  -7.845   6.395
  711   3HG1  VAL  93          3HG2      VAL  93  -4.560  -8.569   4.811
  712   1HG2  VAL  93          1HG1      VAL  93  -3.352  -9.150   8.283
  713   2HG2  VAL  93          2HG1      VAL  93  -1.891  -9.430   7.322
  714   3HG2  VAL  93          3HG1      VAL  93  -2.776 -10.805   8.017
  715    HA   PRO  94           HA       PRO  94  -5.316 -12.420   2.009
  716   1HB   PRO  94          1HB       PRO  94  -7.830 -12.834   3.633
  717   2HB   PRO  94          2HB       PRO  94  -7.179 -13.854   2.317
  718   1HG   PRO  94          2HG       PRO  94  -6.879 -14.615   4.903
  719   2HG   PRO  94          1HG       PRO  94  -5.494 -14.746   3.776
  720   1HD   PRO  94          2HD       PRO  94  -6.043 -12.550   5.793
  721   2HD   PRO  94          1HD       PRO  94  -4.543 -13.460   5.469
  722    H    LYS  95           HN       LYS  95  -6.822 -11.432   0.581
  723    HA   LYS  95           HA       LYS  95  -7.358  -8.784   0.583
  724   1HB   LYS  95          2HB       LYS  95  -7.781 -10.106  -1.369
  725   2HB   LYS  95          1HB       LYS  95  -8.957 -11.134  -0.551
  726   1HG   LYS  95          2HG       LYS  95 -10.623  -9.456  -0.522
  727   2HG   LYS  95          1HG       LYS  95  -9.472  -8.165  -0.901
  728   1HD   LYS  95          2HD       LYS  95  -9.121  -9.059  -3.141
  729   2HD   LYS  95          1HD       LYS  95 -10.223 -10.417  -2.819
  730   1HE   LYS  95          2HE       LYS  95 -10.941  -7.443  -2.783
  731   2HE   LYS  95          1HE       LYS  95 -11.260  -8.550  -4.125
  732   1HZ   LYS  95          1HZ       LYS  95 -12.665  -9.825  -2.683
  733   2HZ   LYS  95          2HZ       LYS  95 -12.418  -8.762  -1.445
  734   3HZ   LYS  95          3HZ       LYS  95 -13.173  -8.263  -2.822
  735    H    ALA  96           H        ALA  96  -9.546 -11.284   1.785
  736    HA   ALA  96           HA       ALA  96 -11.759  -9.809   2.600
  737   1HB   ALA  96          1HB       ALA  96 -10.452 -12.123   4.105
  738   2HB   ALA  96          2HB       ALA  96 -11.603 -12.268   2.757
  739   3HB   ALA  96          3HB       ALA  96 -12.128 -11.566   4.300
  740    H    THR  97           H        THR  97  -8.656 -10.175   4.408
  741    HA   THR  97           HA       THR  97  -9.590  -8.749   6.741
  742    HB   THR  97           HB       THR  97  -6.734  -9.240   5.807
  743    HG1  THR  97           HG1      THR  97  -8.537 -10.965   7.158
  744   1HG2  THR  97          1HG2      THR  97  -6.952  -7.804   7.809
  745   2HG2  THR  97          2HG2      THR  97  -6.299  -9.392   8.250
  746   3HG2  THR  97          3HG2      THR  97  -8.000  -9.016   8.581
  747    H    ILE  98           H        ILE  98  -7.617  -7.968   3.847
  748    HA   ILE  98           HA       ILE  98  -6.929  -5.287   4.535
  749    HB   ILE  98           HB       ILE  98  -7.386  -6.517   1.760
  750   1HG1  ILE  98          2HG1      ILE  98  -4.838  -6.277   3.408
  751   2HG1  ILE  98          1HG1      ILE  98  -5.742  -7.764   3.089
  752   1HG2  ILE  98          1HG2      ILE  98  -5.855  -4.025   2.683
  753   2HG2  ILE  98          2HG2      ILE  98  -5.882  -4.636   1.022
  754   3HG2  ILE  98          3HG2      ILE  98  -7.359  -4.015   1.740
  755   1HD1  ILE  98          1HD1      ILE  98  -3.910  -7.756   1.597
  756   2HD1  ILE  98          2HD1      ILE  98  -5.377  -7.481   0.644
  757   3HD1  ILE  98          3HD1      ILE  98  -4.277  -6.133   1.000
  758    H    VAL  99           H        VAL  99  -9.574  -6.548   2.572
  759    HA   VAL  99           HA       VAL  99 -11.081  -4.321   1.935
  760    HB   VAL  99           HB       VAL  99 -11.680  -7.236   2.515
  761   1HG1  VAL  99          1HG1      VAL  99 -13.903  -7.079   1.567
  762   2HG1  VAL  99          2HG1      VAL  99 -13.803  -5.320   1.532
  763   3HG1  VAL  99          3HG1      VAL  99 -13.823  -6.182   3.081
  764   1HG2  VAL  99          1HG2      VAL  99 -11.865  -5.615  -0.057
  765   2HG2  VAL  99          2HG2      VAL  99 -11.939  -7.377   0.116
  766   3HG2  VAL  99          3HG2      VAL  99 -10.426  -6.509   0.447
  767    H    GLN 100           H        GLN 100 -11.755  -6.484   4.762
  768    HA   GLN 100           HA       GLN 100 -13.669  -4.777   5.943
  769   1HB   GLN 100          2HB       GLN 100 -11.758  -6.842   7.102
  770   2HB   GLN 100          1HB       GLN 100 -12.993  -6.031   8.081
  771   1HG   GLN 100          1HG       GLN 100 -14.786  -6.862   6.740
  772   2HG   GLN 100          2HG       GLN 100 -13.695  -7.512   5.511
  773   1HE2  GLN 100          1HE2      GLN 100 -12.131  -9.186   6.228
  774   2HE2  GLN 100          2HE2      GLN 100 -12.676 -10.357   7.442
  775    H    THR 101           H        THR 101 -10.137  -4.954   6.557
  776    HA   THR 101           HA       THR 101 -10.110  -3.090   8.673
  777    HB   THR 101           HB       THR 101  -7.885  -3.632   6.655
  778    HG1  THR 101           HG1      THR 101  -8.549  -5.511   7.665
  779   1HG2  THR 101          1HG2      THR 101  -7.907  -2.456   9.478
  780   2HG2  THR 101          2HG2      THR 101  -7.365  -1.646   7.990
  781   3HG2  THR 101          3HG2      THR 101  -6.447  -3.011   8.651
  782    H    VAL 102           H        VAL 102  -9.566  -2.461   5.124
  783    HA   VAL 102           HA       VAL 102  -9.272   0.381   5.627
  784    HB   VAL 102           HB       VAL 102  -8.453  -1.197   3.692
  785   1HG1  VAL 102          1HG2      VAL 102  -8.045   0.825   2.311
  786   2HG1  VAL 102          2HG2      VAL 102  -7.777   1.141   4.029
  787   3HG1  VAL 102          3HG2      VAL 102  -9.270   1.708   3.249
  788   1HG2  VAL 102          1HG1      VAL 102 -10.899  -0.067   2.314
  789   2HG2  VAL 102          2HG1      VAL 102 -10.584  -1.789   2.677
  790   3HG2  VAL 102          3HG1      VAL 102  -9.526  -0.905   1.573
  791    H    GLU 103           HN       GLU 103 -11.959  -1.654   4.535
  792    HA   GLU 103           HA       GLU 103 -13.837   0.336   3.976
  793   1HB   GLU 103          2HB       GLU 103 -14.110  -2.474   5.070
  794   2HB   GLU 103          1HB       GLU 103 -15.517  -1.439   4.846
  795   1HG   GLU 103          2HG       GLU 103 -15.021  -1.065   2.496
  796   2HG   GLU 103          1HG       GLU 103 -13.517  -1.982   2.622
  797    H    LYS 104           HN       LYS 104 -12.931  -0.909   7.173
  798    HA   LYS 104           HA       LYS 104 -14.802   0.320   8.830
  799   1HB   LYS 104          1HB       LYS 104 -12.852  -0.986   9.638
  800   2HB   LYS 104          2HB       LYS 104 -11.776   0.333   9.119
  801   1HG   LYS 104          1HG       LYS 104 -12.994   1.872  10.745
  802   2HG   LYS 104          2HG       LYS 104 -13.759   0.421  11.394
  803   1HD   LYS 104          1HD       LYS 104 -10.802   1.174  11.273
  804   2HD   LYS 104          2HD       LYS 104 -11.825   1.097  12.699
  805   1HE   LYS 104          1HE       LYS 104 -10.625  -0.885  12.893
  806   2HE   LYS 104          2HE       LYS 104 -12.097  -1.458  12.093
  807   1HZ   LYS 104          1HZ       LYS 104 -10.857  -1.312  10.001
  808   2HZ   LYS 104          2HZ       LYS 104  -9.525  -0.800  10.812
  809   3HZ   LYS 104          3HZ       LYS 104 -10.116  -2.315  11.077
  810    H    TYR 105           H        TYR 105 -12.018   1.819   7.180
  811    HA   TYR 105           HA       TYR 105 -12.539   4.458   8.391
  812   1HB   TYR 105          1HB       TYR 105 -10.345   3.501   6.517
  813   2HB   TYR 105          2HB       TYR 105 -10.401   5.002   7.422
  814    HD1  TYR 105           HD1      TYR 105 -10.142   5.069   9.904
  815    HD2  TYR 105           HD2      TYR 105  -9.571   1.506   7.579
  816    HE1  TYR 105           HE1      TYR 105  -8.734   4.108  11.713
  817    HE2  TYR 105           HE2      TYR 105  -8.190   0.525   9.383
  818    HH   TYR 105           HH       TYR 105  -7.178   0.908  11.434
  819    H    LEU 106           H        LEU 106 -12.539   2.852   5.182
  820    HA   LEU 106           HA       LEU 106 -14.136   5.122   4.063
  821   1HB   LEU 106          2HB       LEU 106 -11.695   3.776   2.830
  822   2HB   LEU 106          1HB       LEU 106 -12.962   4.551   1.886
  823    HG   LEU 106           HG       LEU 106 -12.506   6.567   3.663
  824   1HD1  LEU 106          1HD1      LEU 106 -11.219   7.588   1.797
  825   2HD1  LEU 106          2HD1      LEU 106 -12.691   6.765   1.267
  826   3HD1  LEU 106          3HD1      LEU 106 -11.122   5.993   1.018
  827   1HD2  LEU 106          1HD2      LEU 106 -10.634   5.335   4.741
  828   2HD2  LEU 106          2HD2      LEU 106 -10.104   6.835   3.966
  829   3HD2  LEU 106          3HD2      LEU 106  -9.793   5.267   3.180
  830    H    ASN 107           H        ASN 107 -15.865   3.889   4.609
  831    HA   ASN 107           HA       ASN 107 -16.369   1.231   3.554
  832   1HB   ASN 107          1HB       ASN 107 -18.738   1.701   4.163
  833   2HB   ASN 107          2HB       ASN 107 -17.590   1.882   5.488
  834   1HD2  ASN 107          1HD2      ASN 107 -17.923   4.512   3.068
  835   2HD2  ASN 107          2HD2      ASN 107 -18.752   5.599   4.189
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  -8.357   2.288  -6.670
    2   2H    MET   1          2H        MET   1  -9.614   1.593  -7.449
    3   3H    MET   1          3H        MET   1  -9.823   3.018  -6.739
    4    HA   MET   1           HA       MET   1  -9.637   3.254  -9.111
    5   1HB   MET   1          1HB       MET   1  -8.559   4.985  -7.622
    6   2HB   MET   1          2HB       MET   1  -7.005   4.186  -7.849
    7   1HG   MET   1          2HG       MET   1  -7.258   6.087  -9.359
    8   2HG   MET   1          1HG       MET   1  -7.194   4.609 -10.314
    9   1HE   MET   1          1HE       MET   1  -8.389   4.984 -12.496
   10   2HE   MET   1          2HE       MET   1  -9.192   3.622 -11.675
   11   3HE   MET   1          3HE       MET   1 -10.161   4.861 -12.503
   12    H    GLU   2           HN       GLU   2  -6.160   2.422  -8.414
   13    HA   GLU   2           HA       GLU   2  -6.262  -0.008  -9.939
   14   1HB   GLU   2          1HB       GLU   2  -4.939   0.772 -11.852
   15   2HB   GLU   2          2HB       GLU   2  -6.450   1.672 -11.776
   16   1HG   GLU   2          2HG       GLU   2  -5.095   3.505 -10.502
   17   2HG   GLU   2          1HG       GLU   2  -3.654   2.620 -11.017
   18    H    ALA   3           H        ALA   3  -3.759  -0.571 -10.397
   19    HA   ALA   3           HA       ALA   3  -2.324  -0.064  -7.869
   20   1HB   ALA   3          1HB       ALA   3  -1.943  -2.142 -10.041
   21   2HB   ALA   3          2HB       ALA   3  -0.987  -2.008  -8.552
   22   3HB   ALA   3          3HB       ALA   3  -2.714  -2.375  -8.454
   23    H    GLY   4           H        GLY   4  -0.321   0.869  -7.778
   24   1HA   GLY   4          2HA       GLY   4   1.218   1.382 -10.300
   25   2HA   GLY   4          1HA       GLY   4   1.060   2.575  -8.994
   26    H    ALA   5           H        ALA   5   3.602   2.022  -9.473
   27    HA   ALA   5           HA       ALA   5   4.477   0.226  -7.282
   28   1HB   ALA   5          1HB       ALA   5   6.411  -0.447  -8.657
   29   2HB   ALA   5          2HB       ALA   5   4.889  -0.987  -9.396
   30   3HB   ALA   5          3HB       ALA   5   5.741   0.431 -10.051
   31    H    VAL   6           H        VAL   6   6.198   1.209  -6.082
   32    HA   VAL   6           HA       VAL   6   7.154   3.856  -7.048
   33    HB   VAL   6           HB       VAL   6   6.585   4.846  -4.778
   34   1HG1  VAL   6          1HG1      VAL   6   4.750   2.429  -4.507
   35   2HG1  VAL   6          2HG1      VAL   6   4.771   3.868  -3.472
   36   3HG1  VAL   6          3HG1      VAL   6   6.182   2.812  -3.527
   37   1HG2  VAL   6          1HG2      VAL   6   4.270   5.344  -5.268
   38   2HG2  VAL   6          2HG2      VAL   6   5.297   5.491  -6.705
   39   3HG2  VAL   6          3HG2      VAL   6   4.239   4.085  -6.519
   40    H    ASN   7           H        ASN   7   8.559   4.847  -5.544
   41    HA   ASN   7           HA       ASN   7  10.248   3.284  -3.763
   42   1HB   ASN   7          2HB       ASN   7  11.592   2.977  -5.756
   43   2HB   ASN   7          1HB       ASN   7  11.083   4.562  -6.372
   44   1HD2  ASN   7          1HD2      ASN   7  13.567   2.980  -4.417
   45   2HD2  ASN   7          2HD2      ASN   7  14.488   4.442  -4.201
   46    H    ASP   8           HN       ASP   8  11.708   4.900  -2.767
   47    HA   ASP   8           HA       ASP   8  10.585   6.812  -1.263
   48   1HB   ASP   8          2HB       ASP   8  12.993   5.966  -1.257
   49   2HB   ASP   8          1HB       ASP   8  13.364   7.128  -2.512
   50    H    ASP   9           HN       ASP   9  12.120   7.562  -4.359
   51    HA   ASP   9           HA       ASP   9  11.578  10.380  -4.368
   52   1HB   ASP   9          2HB       ASP   9  13.140   9.428  -5.944
   53   2HB   ASP   9          1HB       ASP   9  11.920   8.380  -6.655
   54    H    THR  10           H        THR  10   9.920   7.992  -6.398
   55    HA   THR  10           HA       THR  10   7.734   9.526  -7.159
   56    HB   THR  10           HB       THR  10   6.660   7.250  -7.589
   57    HG1  THR  10           HG1      THR  10   8.633   6.574  -5.850
   58   1HG2  THR  10          1HG2      THR  10   9.550   7.612  -8.523
   59   2HG2  THR  10          2HG2      THR  10   8.316   6.588  -9.280
   60   3HG2  THR  10          3HG2      THR  10   8.116   8.350  -9.263
   61    H    PHE  11           H        PHE  11   8.059   7.557  -4.241
   62    HA   PHE  11           HA       PHE  11   5.544   7.207  -3.262
   63   1HB   PHE  11          2HB       PHE  11   7.744   6.536  -2.255
   64   2HB   PHE  11          1HB       PHE  11   7.982   8.173  -1.711
   65    HD1  PHE  11           HD1      PHE  11   7.063   8.960   0.330
   66    HD2  PHE  11           HD2      PHE  11   5.768   5.188  -1.313
   67    HE1  PHE  11           HE1      PHE  11   6.070   8.352   2.508
   68    HE2  PHE  11           HE2      PHE  11   4.642   4.656   0.835
   69    HZ   PHE  11           HZ       PHE  11   4.795   6.234   2.747
   70    H    LYS  12           HN       LYS  12   7.533  10.072  -2.990
   71    HA   LYS  12           HA       LYS  12   5.855  11.648  -1.308
   72   1HB   LYS  12          2HB       LYS  12   7.648  12.678  -3.548
   73   2HB   LYS  12          1HB       LYS  12   7.126  13.568  -2.120
   74   1HG   LYS  12          1HG       LYS  12   8.968  11.127  -2.195
   75   2HG   LYS  12          2HG       LYS  12   9.480  12.785  -1.971
   76   1HD   LYS  12          1HD       LYS  12   8.676  12.888   0.240
   77   2HD   LYS  12          2HD       LYS  12   7.533  11.560   0.000
   78   1HE   LYS  12          2HE       LYS  12   9.418  10.867   1.411
   79   2HE   LYS  12          1HE       LYS  12   9.210   9.890  -0.046
   80   1HZ   LYS  12          1HZ       LYS  12  10.951  11.142  -1.086
   81   2HZ   LYS  12          2HZ       LYS  12  11.467  10.362   0.261
   82   3HZ   LYS  12          3HZ       LYS  12  11.216  11.999   0.304
   83    H    ASN  13           H        ASN  13   6.015  11.640  -4.878
   84    HA   ASN  13           HA       ASN  13   3.786  13.439  -5.222
   85   1HB   ASN  13          1HB       ASN  13   5.005  11.432  -7.163
   86   2HB   ASN  13          2HB       ASN  13   3.965  12.795  -7.559
   87   1HD2  ASN  13          2HD2      ASN  13   5.550  14.552  -5.437
   88   2HD2  ASN  13          1HD2      ASN  13   6.980  14.934  -6.375
   89    H    VAL  14           H        VAL  14   4.160   9.936  -5.673
   90    HA   VAL  14           HA       VAL  14   1.464   9.483  -6.515
   91    HB   VAL  14           HB       VAL  14   3.712   7.645  -5.587
   92   1HG1  VAL  14          1HG1      VAL  14   2.726   8.423  -8.371
   93   2HG1  VAL  14          2HG1      VAL  14   4.245   8.965  -7.635
   94   3HG1  VAL  14          3HG1      VAL  14   4.017   7.259  -8.024
   95   1HG2  VAL  14          1HG2      VAL  14   2.475   5.880  -6.911
   96   2HG2  VAL  14          2HG2      VAL  14   1.682   6.344  -5.399
   97   3HG2  VAL  14          3HG2      VAL  14   1.082   6.973  -6.954
   98    H    VAL  15           H        VAL  15   2.980   9.402  -3.291
   99    HA   VAL  15           HA       VAL  15   0.434   8.309  -2.163
  100    HB   VAL  15           HB       VAL  15   3.181   8.193  -0.864
  101   1HG1  VAL  15          1HG1      VAL  15   2.164   6.555   0.542
  102   2HG1  VAL  15          2HG1      VAL  15   1.179   8.019   0.587
  103   3HG1  VAL  15          3HG1      VAL  15   0.637   6.624  -0.368
  104   1HG2  VAL  15          1HG2      VAL  15   1.825   6.103  -2.598
  105   2HG2  VAL  15          2HG2      VAL  15   3.341   6.938  -2.969
  106   3HG2  VAL  15          3HG2      VAL  15   3.265   5.847  -1.590
  107    H    LEU  16           H        LEU  16   3.186  10.283  -0.899
  108    HA   LEU  16           HA       LEU  16   1.660  11.398   1.178
  109   1HB   LEU  16          1HB       LEU  16   4.036  12.690  -0.222
  110   2HB   LEU  16          2HB       LEU  16   3.357  13.141   1.323
  111    HG   LEU  16           HG       LEU  16   4.850  10.585   0.620
  112   1HD1  LEU  16          1HD2      LEU  16   6.058  12.751   1.210
  113   2HD1  LEU  16          2HD2      LEU  16   6.410  11.385   2.298
  114   3HD1  LEU  16          3HD2      LEU  16   5.292  12.670   2.803
  115   1HD2  LEU  16          1HD1      LEU  16   4.532   9.967   3.057
  116   2HD2  LEU  16          2HD1      LEU  16   3.256  11.193   3.144
  117   3HD2  LEU  16          3HD1      LEU  16   3.084   9.787   2.057
  118    H    GLU  17           HN       GLU  17   2.220  12.792  -2.050
  119    HA   GLU  17           HA       GLU  17   0.452  15.078  -1.471
  120   1HB   GLU  17          2HB       GLU  17   2.000  14.199  -3.933
  121   2HB   GLU  17          1HB       GLU  17   1.159  15.735  -3.754
  122   1HG   GLU  17          2HG       GLU  17   2.620  16.417  -1.924
  123   2HG   GLU  17          1HG       GLU  17   3.447  14.857  -1.927
  124    H    SER  18           H        SER  18  -0.535  12.011  -1.945
  125    HA   SER  18           HA       SER  18  -2.095  12.260  -4.362
  126   1HB   SER  18          2HB       SER  18  -1.313  10.111  -3.392
  127   2HB   SER  18          1HB       SER  18  -2.451  10.324  -2.044
  128    HG   SER  18           HG       SER  18  -4.052   9.783  -3.362
  129    H    SER  19           H        SER  19  -4.276  12.658  -4.655
  130    HA   SER  19           HA       SER  19  -5.669  14.307  -2.691
  131   1HB   SER  19          2HB       SER  19  -7.364  14.232  -4.645
  132   2HB   SER  19          1HB       SER  19  -5.782  14.971  -4.981
  133    HG   SER  19           HG       SER  19  -6.330  13.449  -6.608
  134    H    VAL  20           H        VAL  20  -6.441  11.408  -4.596
  135    HA   VAL  20           HA       VAL  20  -8.533  10.547  -2.760
  136    HB   VAL  20           HB       VAL  20  -8.413   8.396  -4.154
  137   1HG1  VAL  20          1HG1      VAL  20  -6.077   8.696  -5.012
  138   2HG1  VAL  20          2HG1      VAL  20  -7.288   8.399  -6.266
  139   3HG1  VAL  20          3HG1      VAL  20  -6.661  10.034  -6.028
  140   1HG2  VAL  20          1HG2      VAL  20  -9.042  11.016  -5.538
  141   2HG2  VAL  20          2HG2      VAL  20 -10.137  10.012  -4.550
  142   3HG2  VAL  20          3HG2      VAL  20  -9.541   9.408  -6.102
  143    HA   PRO  21           HA       PRO  21  -6.050   8.193  -0.002
  144   1HB   PRO  21          2HB       PRO  21  -7.941   5.883  -0.386
  145   2HB   PRO  21          1HB       PRO  21  -7.305   6.515   1.124
  146   1HG   PRO  21          1HG       PRO  21  -9.806   7.151   0.295
  147   2HG   PRO  21          2HG       PRO  21  -8.785   8.433   1.012
  148   1HD   PRO  21          2HD       PRO  21  -9.389   7.961  -1.915
  149   2HD   PRO  21          1HD       PRO  21  -9.225   9.483  -1.000
  150    H    VAL  22           H        VAL  22  -4.786   6.266   0.254
  151    HA   VAL  22           HA       VAL  22  -4.136   4.817  -2.230
  152    HB   VAL  22           HB       VAL  22  -2.086   6.280  -0.513
  153   1HG1  VAL  22          1HG2      VAL  22  -0.641   5.905  -2.423
  154   2HG1  VAL  22          2HG2      VAL  22  -1.300   4.386  -1.767
  155   3HG1  VAL  22          3HG2      VAL  22  -1.953   5.077  -3.273
  156   1HG2  VAL  22          1HG1      VAL  22  -3.389   7.273  -3.081
  157   2HG2  VAL  22          2HG1      VAL  22  -1.870   7.894  -2.419
  158   3HG2  VAL  22          3HG1      VAL  22  -3.361   8.084  -1.497
  159    H    LEU  23           H        LEU  23  -3.240   2.838  -1.855
  160    HA   LEU  23           HA       LEU  23  -2.873   1.852   0.950
  161   1HB   LEU  23          2HB       LEU  23  -4.921   1.026  -0.253
  162   2HB   LEU  23          1HB       LEU  23  -3.916   0.297  -1.473
  163    HG   LEU  23           HG       LEU  23  -3.600  -0.372   1.494
  164   1HD1  LEU  23          1HD1      LEU  23  -2.767  -2.569   0.470
  165   2HD1  LEU  23          2HD1      LEU  23  -2.793  -1.750  -1.105
  166   3HD1  LEU  23          3HD1      LEU  23  -1.711  -1.191   0.181
  167   1HD2  LEU  23          1HD2      LEU  23  -5.040  -2.336   1.070
  168   2HD2  LEU  23          2HD2      LEU  23  -5.390  -1.726  -0.564
  169   3HD2  LEU  23          3HD2      LEU  23  -5.921  -0.816   0.871
  170    H    VAL  24           H        VAL  24  -0.602   1.882   1.076
  171    HA   VAL  24           HA       VAL  24   0.946   1.050  -1.348
  172    HB   VAL  24           HB       VAL  24   1.939   2.280   1.236
  173   1HG1  VAL  24          1HG1      VAL  24   4.002   2.662  -0.127
  174   2HG1  VAL  24          2HG1      VAL  24   3.666   0.948   0.112
  175   3HG1  VAL  24          3HG1      VAL  24   3.287   1.718  -1.444
  176   1HG2  VAL  24          1HG2      VAL  24   2.250   4.330  -0.055
  177   2HG2  VAL  24          2HG2      VAL  24   0.535   3.904  -0.047
  178   3HG2  VAL  24          3HG2      VAL  24   1.524   3.585  -1.489
  179    H    ASP  25           HN       ASP  25   1.742  -1.047  -1.377
  180    HA   ASP  25           HA       ASP  25   1.999  -2.497   1.233
  181   1HB   ASP  25          1HB       ASP  25   0.654  -3.727  -0.394
  182   2HB   ASP  25          2HB       ASP  25   1.947  -3.576  -1.601
  183    H    PHE  26           H        PHE  26   4.040  -2.683   2.018
  184    HA   PHE  26           HA       PHE  26   6.361  -1.797   0.390
  185   1HB   PHE  26          2HB       PHE  26   6.035  -2.819   3.245
  186   2HB   PHE  26          1HB       PHE  26   7.583  -2.494   2.479
  187    HD1  PHE  26           HD1      PHE  26   8.585  -0.624   3.394
  188    HD2  PHE  26           HD2      PHE  26   4.316  -0.518   2.698
  189    HE1  PHE  26           HE1      PHE  26   8.485   1.701   4.212
  190    HE2  PHE  26           HE2      PHE  26   4.274   1.845   3.347
  191    HZ   PHE  26           HZ       PHE  26   6.332   2.952   4.183
  192    H    TRP  27           H        TRP  27   6.986  -3.208  -1.109
  193    HA   TRP  27           HA       TRP  27   6.824  -6.140  -0.426
  194   1HB   TRP  27          2HB       TRP  27   6.188  -6.688  -2.633
  195   2HB   TRP  27          1HB       TRP  27   5.115  -5.372  -2.185
  196    HD1  TRP  27           HD1      TRP  27   6.014  -2.946  -3.093
  197    HE1  TRP  27           HE1      TRP  27   7.138  -2.270  -5.344
  198    HE3  TRP  27           HE3      TRP  27   7.363  -7.629  -4.768
  199    HZ2  TRP  27           HZ2      TRP  27   8.646  -3.595  -7.391
  200    HZ3  TRP  27           HZ3      TRP  27   8.578  -7.845  -6.836
  201    HH2  TRP  27           HH2      TRP  27   9.344  -5.900  -8.120
  202    H    ALA  28           H        ALA  28   8.059  -7.344  -2.244
  203    HA   ALA  28           HA       ALA  28  10.353  -6.196  -3.405
  204   1HB   ALA  28          1HB       ALA  28  10.853  -8.179  -1.131
  205   2HB   ALA  28          2HB       ALA  28  12.078  -7.488  -2.208
  206   3HB   ALA  28          3HB       ALA  28  11.255  -6.437  -1.050
  207    HA   PRO  29           HA       PRO  29   8.912  -9.690  -5.700
  208   1HB   PRO  29          2HB       PRO  29  10.914 -10.617  -7.149
  209   2HB   PRO  29          1HB       PRO  29  10.355  -8.970  -7.232
  210   1HG   PRO  29          1HG       PRO  29  12.819  -9.715  -5.713
  211   2HG   PRO  29          2HG       PRO  29  12.639  -8.489  -6.996
  212   1HD   PRO  29          1HD       PRO  29  12.333  -7.818  -4.373
  213   2HD   PRO  29          2HD       PRO  29  11.306  -7.076  -5.628
  214    H    TRP  30           H        TRP  30  11.904 -10.412  -4.123
  215    HA   TRP  30           HA       TRP  30  11.505 -13.198  -3.645
  216   1HB   TRP  30          1HB       TRP  30  13.088 -12.972  -1.782
  217   2HB   TRP  30          2HB       TRP  30  13.652 -12.227  -3.269
  218    HD1  TRP  30           HD1      TRP  30  14.558  -9.873  -3.091
  219    HE1  TRP  30           HE1      TRP  30  14.723  -8.063  -1.268
  220    HE3  TRP  30           HE3      TRP  30  11.591 -12.031   0.503
  221    HZ2  TRP  30           HZ2      TRP  30  13.611  -7.560   1.322
  222    HZ3  TRP  30           HZ3      TRP  30  11.095 -10.815   2.590
  223    HH2  TRP  30           HH2      TRP  30  12.040  -8.559   2.991
  224    H    CYS  31           H        CYS  31   9.664 -10.532  -2.347
  225    HA   CYS  31           HA       CYS  31   9.024 -11.962   0.189
  226   1HB   CYS  31          2HB       CYS  31   9.076  -9.589   0.362
  227   2HB   CYS  31          1HB       CYS  31   7.937  -9.400  -0.973
  228    H    GLY  32           H        GLY  32   8.327 -13.911  -0.745
  229   1HA   GLY  32          1HA       GLY  32   6.501 -14.631  -2.537
  230   2HA   GLY  32          2HA       GLY  32   6.502 -15.378  -0.940
  231    HA   PRO  33           HA       PRO  33   2.506 -13.808   0.195
  232   1HB   PRO  33          1HB       PRO  33   3.798 -11.721   1.977
  233   2HB   PRO  33          2HB       PRO  33   2.353 -12.721   2.313
  234   1HG   PRO  33          2HG       PRO  33   4.738 -13.476   3.331
  235   2HG   PRO  33          1HG       PRO  33   3.677 -14.671   2.521
  236   1HD   PRO  33          1HD       PRO  33   6.107 -13.220   1.389
  237   2HD   PRO  33          2HD       PRO  33   5.688 -14.952   1.253
  238    H    CYS  34           H        CYS  34   4.835 -11.159  -0.222
  239    HA   CYS  34           HA       CYS  34   2.927  -9.094  -0.872
  240   1HB   CYS  34          2HB       CYS  34   5.789  -9.175  -1.843
  241   2HB   CYS  34          1HB       CYS  34   4.676  -7.829  -1.615
  242    H    ARG  35           HN       ARG  35   5.049 -11.182  -2.818
  243    HA   ARG  35           HA       ARG  35   4.288 -10.414  -5.395
  244   1HB   ARG  35          1HB       ARG  35   6.164 -11.964  -4.553
  245   2HB   ARG  35          2HB       ARG  35   4.976 -13.256  -4.533
  246   1HG   ARG  35          1HG       ARG  35   4.531 -12.672  -7.028
  247   2HG   ARG  35          2HG       ARG  35   6.031 -11.728  -6.926
  248   1HD   ARG  35          2HD       ARG  35   5.626 -14.695  -6.403
  249   2HD   ARG  35          1HD       ARG  35   6.568 -13.976  -7.725
  250    HE   ARG  35           HE       ARG  35   7.893 -12.951  -5.630
  251   1HH1  ARG  35          2HH1      ARG  35   6.900 -16.314  -6.161
  252   2HH1  ARG  35          1HH1      ARG  35   8.017 -16.947  -4.982
  253   1HH2  ARG  35          1HH2      ARG  35   9.271 -13.720  -4.176
  254   2HH2  ARG  35          2HH2      ARG  35   9.440 -15.427  -3.803
  255    H    ILE  36           H        ILE  36   2.995 -13.168  -3.468
  256    HA   ILE  36           HA       ILE  36   1.028 -13.762  -5.536
  257    HB   ILE  36           HB       ILE  36   0.273 -15.556  -4.136
  258   1HG1  ILE  36          2HG1      ILE  36   1.879 -15.764  -1.918
  259   2HG1  ILE  36          1HG1      ILE  36   1.571 -14.028  -1.936
  260   1HG2  ILE  36          1HG2      ILE  36   2.369 -15.778  -5.449
  261   2HG2  ILE  36          2HG2      ILE  36   2.333 -16.818  -4.018
  262   3HG2  ILE  36          3HG2      ILE  36   3.314 -15.343  -4.011
  263   1HD1  ILE  36          1HD1      ILE  36  -0.904 -14.533  -2.046
  264   2HD1  ILE  36          2HD1      ILE  36  -0.508 -16.260  -1.956
  265   3HD1  ILE  36          3HD1      ILE  36  -0.117 -15.192  -0.596
  266    H    ILE  37           H        ILE  37   0.852 -11.762  -2.579
  267    HA   ILE  37           HA       ILE  37  -2.084 -11.639  -2.783
  268    HB   ILE  37           HB       ILE  37  -0.103 -10.137  -1.033
  269   1HG1  ILE  37          2HG1      ILE  37  -0.323 -12.648  -0.605
  270   2HG1  ILE  37          1HG1      ILE  37  -0.738 -11.598   0.740
  271   1HG2  ILE  37          1HG2      ILE  37  -2.057  -8.769  -1.172
  272   2HG2  ILE  37          2HG2      ILE  37  -2.157  -9.633   0.354
  273   3HG2  ILE  37          3HG2      ILE  37  -3.147 -10.154  -1.027
  274   1HD1  ILE  37          1HD1      ILE  37  -2.765 -12.953  -1.094
  275   2HD1  ILE  37          2HD1      ILE  37  -3.133 -11.990   0.356
  276   3HD1  ILE  37          3HD1      ILE  37  -2.261 -13.517   0.504
  277    H    ALA  38           H        ALA  38   0.689  -9.740  -3.962
  278    HA   ALA  38           HA       ALA  38  -0.211  -7.326  -4.553
  279   1HB   ALA  38          1HB       ALA  38   1.220  -9.126  -6.556
  280   2HB   ALA  38          2HB       ALA  38   1.137  -7.367  -6.593
  281   3HB   ALA  38          3HB       ALA  38   1.967  -8.163  -5.266
  282    HA   PRO  39           HA       PRO  39  -2.803  -8.456  -8.476
  283   1HB   PRO  39          2HB       PRO  39  -3.880 -11.169  -7.840
  284   2HB   PRO  39          1HB       PRO  39  -3.282 -10.544  -9.398
  285   1HG   PRO  39          2HG       PRO  39  -1.816 -12.339  -7.948
  286   2HG   PRO  39          1HG       PRO  39  -1.011 -10.968  -8.774
  287   1HD   PRO  39          1HD       PRO  39  -1.956 -11.087  -5.891
  288   2HD   PRO  39          2HD       PRO  39  -0.314 -10.715  -6.489
  289    H    VAL  40           H        VAL  40  -3.522  -9.808  -5.292
  290    HA   VAL  40           HA       VAL  40  -6.368  -9.281  -5.326
  291    HB   VAL  40           HB       VAL  40  -4.596  -9.732  -2.888
  292   1HG1  VAL  40          1HG1      VAL  40  -6.904  -9.023  -2.525
  293   2HG1  VAL  40          2HG1      VAL  40  -7.481 -10.398  -3.502
  294   3HG1  VAL  40          3HG1      VAL  40  -6.621 -10.686  -1.967
  295   1HG2  VAL  40          1HG2      VAL  40  -5.805 -11.826  -4.758
  296   2HG2  VAL  40          2HG2      VAL  40  -5.146 -12.164  -3.144
  297   3HG2  VAL  40          3HG2      VAL  40  -4.074 -11.605  -4.427
  298    H    VAL  41           H        VAL  41  -3.377  -7.730  -4.050
  299    HA   VAL  41           HA       VAL  41  -4.677  -5.463  -2.895
  300    HB   VAL  41           HB       VAL  41  -1.925  -5.390  -4.229
  301   1HG1  VAL  41          1HG1      VAL  41  -2.702  -6.431  -1.481
  302   2HG1  VAL  41          2HG1      VAL  41  -1.788  -7.254  -2.766
  303   3HG1  VAL  41          3HG1      VAL  41  -1.060  -5.903  -1.917
  304   1HG2  VAL  41          1HG2      VAL  41  -3.018  -3.993  -1.740
  305   2HG2  VAL  41          2HG2      VAL  41  -3.086  -3.232  -3.327
  306   3HG2  VAL  41          3HG2      VAL  41  -1.513  -3.617  -2.607
  307    H    ASP  42           HN       ASP  42  -3.499  -6.066  -6.233
  308    HA   ASP  42           HA       ASP  42  -4.202  -3.565  -7.364
  309   1HB   ASP  42          2HB       ASP  42  -2.886  -5.190  -8.608
  310   2HB   ASP  42          1HB       ASP  42  -4.189  -6.349  -8.628
  311    H    GLU  43           HN       GLU  43  -6.133  -6.605  -7.592
  312    HA   GLU  43           HA       GLU  43  -8.363  -5.273  -8.663
  313   1HB   GLU  43          2HB       GLU  43  -9.614  -7.159  -8.373
  314   2HB   GLU  43          1HB       GLU  43  -7.977  -7.711  -8.504
  315   1HG   GLU  43          2HG       GLU  43  -8.100  -7.703  -5.812
  316   2HG   GLU  43          1HG       GLU  43  -9.829  -7.556  -6.069
  317    H    ILE  44           H        ILE  44  -7.491  -5.616  -5.166
  318    HA   ILE  44           HA       ILE  44 -10.004  -4.625  -4.226
  319    HB   ILE  44           HB       ILE  44  -7.181  -4.473  -3.132
  320   1HG1  ILE  44          1HG1      ILE  44  -9.687  -5.896  -2.096
  321   2HG1  ILE  44          2HG1      ILE  44  -8.641  -6.635  -3.295
  322   1HG2  ILE  44          1HG2      ILE  44  -8.344  -2.494  -2.291
  323   2HG2  ILE  44          2HG2      ILE  44  -8.221  -3.688  -1.000
  324   3HG2  ILE  44          3HG2      ILE  44  -9.765  -3.478  -1.861
  325   1HD1  ILE  44          1HD1      ILE  44  -7.891  -5.830  -0.471
  326   2HD1  ILE  44          2HD1      ILE  44  -6.687  -6.319  -1.690
  327   3HD1  ILE  44          3HD1      ILE  44  -7.946  -7.450  -1.174
  328    H    ALA  45           H        ALA  45  -7.093  -2.889  -5.495
  329    HA   ALA  45           HA       ALA  45  -8.398  -0.312  -5.181
  330   1HB   ALA  45          1HB       ALA  45  -6.124  -1.187  -6.997
  331   2HB   ALA  45          2HB       ALA  45  -6.714   0.476  -6.800
  332   3HB   ALA  45          3HB       ALA  45  -6.056  -0.381  -5.403
  333    H    GLY  46           H        GLY  46  -8.194  -2.665  -7.970
  334   1HA   GLY  46          2HA       GLY  46  -9.549  -1.171  -9.905
  335   2HA   GLY  46          1HA       GLY  46  -9.669  -2.931  -9.731
  336    H    GLU  47           HN       GLU  47 -11.055  -3.562  -7.755
  337    HA   GLU  47           HA       GLU  47 -13.758  -2.985  -8.004
  338   1HB   GLU  47          2HB       GLU  47 -12.122  -3.810  -5.581
  339   2HB   GLU  47          1HB       GLU  47 -13.891  -3.833  -5.600
  340   1HG   GLU  47          1HG       GLU  47 -13.917  -5.507  -7.361
  341   2HG   GLU  47          2HG       GLU  47 -12.163  -5.431  -7.549
  342    H    TYR  48           H        TYR  48 -11.544  -1.517  -5.584
  343    HA   TYR  48           HA       TYR  48 -13.601   0.461  -4.801
  344   1HB   TYR  48          1HB       TYR  48 -10.809  -0.114  -3.751
  345   2HB   TYR  48          2HB       TYR  48 -11.837   1.187  -3.202
  346    HD1  TYR  48           HD1      TYR  48 -12.151  -2.598  -3.686
  347    HD2  TYR  48           HD2      TYR  48 -13.072   0.846  -1.263
  348    HE1  TYR  48           HE1      TYR  48 -13.777  -3.925  -2.427
  349    HE2  TYR  48           HE2      TYR  48 -14.716  -0.496  -0.004
  350    HH   TYR  48           HH       TYR  48 -15.792  -2.554   0.170
  351    H    LYS  49           HN       LYS  49 -13.421   0.851  -7.223
  352    HA   LYS  49           HA       LYS  49 -11.634   2.475  -8.514
  353   1HB   LYS  49          1HB       LYS  49 -13.569   3.316  -9.801
  354   2HB   LYS  49          2HB       LYS  49 -13.552   1.559  -9.604
  355   1HG   LYS  49          1HG       LYS  49 -15.263   1.720  -7.812
  356   2HG   LYS  49          2HG       LYS  49 -15.263   3.487  -7.973
  357   1HD   LYS  49          1HD       LYS  49 -16.027   3.277 -10.326
  358   2HD   LYS  49          2HD       LYS  49 -15.952   1.512 -10.196
  359   1HE   LYS  49          2HE       LYS  49 -18.261   2.265  -9.943
  360   2HE   LYS  49          1HE       LYS  49 -17.691   1.544  -8.429
  361   1HZ   LYS  49          1HZ       LYS  49 -17.335   3.747  -7.585
  362   2HZ   LYS  49          2HZ       LYS  49 -18.895   3.579  -8.084
  363   3HZ   LYS  49          3HZ       LYS  49 -17.823   4.425  -9.006
  364    H    ASP  50           HN       ASP  50 -11.134   4.635  -8.564
  365    HA   ASP  50           HA       ASP  50 -10.816   6.762  -8.003
  366   1HB   ASP  50          2HB       ASP  50 -13.284   6.960  -8.324
  367   2HB   ASP  50          1HB       ASP  50 -13.537   6.678  -6.606
  368    H    LYS  51           HN       LYS  51 -12.441   5.285  -5.260
  369    HA   LYS  51           HA       LYS  51 -11.188   6.982  -3.361
  370   1HB   LYS  51          1HB       LYS  51 -12.326   5.620  -1.695
  371   2HB   LYS  51          2HB       LYS  51 -13.387   5.966  -3.035
  372   1HG   LYS  51          2HG       LYS  51 -12.819   3.654  -3.969
  373   2HG   LYS  51          1HG       LYS  51 -11.998   3.338  -2.434
  374   1HD   LYS  51          2HD       LYS  51 -14.937   4.117  -2.726
  375   2HD   LYS  51          1HD       LYS  51 -14.336   2.461  -2.603
  376   1HE   LYS  51          2HE       LYS  51 -13.285   3.076  -0.365
  377   2HE   LYS  51          1HE       LYS  51 -14.124   4.632  -0.464
  378   1HZ   LYS  51          1HZ       LYS  51 -15.432   2.005  -0.537
  379   2HZ   LYS  51          2HZ       LYS  51 -15.301   2.953   0.795
  380   3HZ   LYS  51          3HZ       LYS  51 -16.186   3.472  -0.500
  381    H    LEU  52           H        LEU  52  -9.830   4.094  -4.707
  382    HA   LEU  52           HA       LEU  52  -7.821   4.129  -2.460
  383   1HB   LEU  52          1HB       LEU  52  -9.866   2.333  -2.548
  384   2HB   LEU  52          2HB       LEU  52  -8.701   1.466  -3.555
  385    HG   LEU  52           HG       LEU  52  -7.081   2.079  -1.488
  386   1HD1  LEU  52          1HD1      LEU  52  -8.871   3.585  -0.529
  387   2HD1  LEU  52          2HD1      LEU  52  -9.925   2.185  -0.325
  388   3HD1  LEU  52          3HD1      LEU  52  -8.407   2.305   0.593
  389   1HD2  LEU  52          1HD2      LEU  52  -9.293  -0.028  -1.370
  390   2HD2  LEU  52          2HD2      LEU  52  -7.689  -0.211  -2.118
  391   3HD2  LEU  52          3HD2      LEU  52  -7.830  -0.015  -0.362
  392    H    LYS  53           HN       LYS  53  -5.864   4.730  -3.426
  393    HA   LYS  53           HA       LYS  53  -5.342   3.626  -6.143
  394   1HB   LYS  53          1HB       LYS  53  -5.052   6.077  -5.280
  395   2HB   LYS  53          2HB       LYS  53  -3.561   5.498  -4.593
  396   1HG   LYS  53          2HG       LYS  53  -4.435   5.450  -7.526
  397   2HG   LYS  53          1HG       LYS  53  -3.214   6.497  -6.791
  398   1HD   LYS  53          1HD       LYS  53  -1.788   4.494  -6.332
  399   2HD   LYS  53          2HD       LYS  53  -3.002   3.460  -7.099
  400   1HE   LYS  53          1HE       LYS  53  -1.263   3.841  -8.679
  401   2HE   LYS  53          2HE       LYS  53  -2.723   4.669  -9.239
  402   1HZ   LYS  53          1HZ       LYS  53  -0.460   5.928  -7.849
  403   2HZ   LYS  53          2HZ       LYS  53  -0.760   6.013  -9.468
  404   3HZ   LYS  53          3HZ       LYS  53  -1.800   6.712  -8.400
  405    H    CYS  54           H        CYS  54  -4.368   1.605  -6.167
  406    HA   CYS  54           HA       CYS  54  -3.020   0.618  -3.707
  407   1HB   CYS  54          1HB       CYS  54  -4.156  -1.173  -4.647
  408   2HB   CYS  54          2HB       CYS  54  -3.866  -0.637  -6.320
  409    HG   CYS  54           HG       CYS  54  -2.705  -2.906  -5.851
  410    H    VAL  55           H        VAL  55  -0.890   0.490  -3.419
  411    HA   VAL  55           HA       VAL  55   0.810   0.785  -5.790
  412    HB   VAL  55           HB       VAL  55   2.033   2.334  -3.632
  413   1HG1  VAL  55          1HG1      VAL  55  -0.249   3.000  -3.049
  414   2HG1  VAL  55          2HG1      VAL  55  -0.532   3.535  -4.726
  415   3HG1  VAL  55          3HG1      VAL  55   0.697   4.340  -3.739
  416   1HG2  VAL  55          1HG2      VAL  55   2.738   2.274  -5.979
  417   2HG2  VAL  55          2HG2      VAL  55   1.175   2.966  -6.481
  418   3HG2  VAL  55          3HG2      VAL  55   2.286   3.923  -5.478
  419    H    LYS  56           HN       LYS  56   2.950   0.201  -5.527
  420    HA   LYS  56           HA       LYS  56   3.425  -1.693  -3.271
  421   1HB   LYS  56          1HB       LYS  56   3.994  -2.065  -6.214
  422   2HB   LYS  56          2HB       LYS  56   4.191  -3.260  -4.903
  423   1HG   LYS  56          2HG       LYS  56   1.701  -3.133  -4.495
  424   2HG   LYS  56          1HG       LYS  56   1.590  -2.088  -5.935
  425   1HD   LYS  56          1HD       LYS  56   2.817  -3.875  -7.209
  426   2HD   LYS  56          2HD       LYS  56   2.562  -4.953  -5.819
  427   1HE   LYS  56          1HE       LYS  56   0.160  -4.873  -6.085
  428   2HE   LYS  56          2HE       LYS  56   0.231  -3.422  -7.091
  429   1HZ   LYS  56          1HZ       LYS  56  -0.240  -5.386  -8.351
  430   2HZ   LYS  56          2HZ       LYS  56   1.133  -4.627  -8.853
  431   3HZ   LYS  56          3HZ       LYS  56   1.238  -6.015  -7.981
  432    H    LEU  57           H        LEU  57   5.081  -0.842  -2.175
  433    HA   LEU  57           HA       LEU  57   7.131   0.714  -3.642
  434   1HB   LEU  57          2HB       LEU  57   7.618   1.875  -2.015
  435   2HB   LEU  57          1HB       LEU  57   5.959   1.666  -1.539
  436    HG   LEU  57           HG       LEU  57   6.917   0.293   0.376
  437   1HD1  LEU  57          1HD1      LEU  57   6.465   2.678   0.564
  438   2HD1  LEU  57          2HD1      LEU  57   7.928   2.272   1.464
  439   3HD1  LEU  57          3HD1      LEU  57   8.065   3.070  -0.105
  440   1HD2  LEU  57          1HD2      LEU  57   9.019  -0.609  -0.126
  441   2HD2  LEU  57          2HD2      LEU  57   9.502   0.807  -1.090
  442   3HD2  LEU  57          3HD2      LEU  57   9.518   0.860   0.682
  443    H    ASN  58           H        ASN  58   8.980  -0.119  -4.252
  444    HA   ASN  58           HA       ASN  58   9.548  -2.871  -3.389
  445   1HB   ASN  58          2HB       ASN  58   9.961  -2.165  -5.716
  446   2HB   ASN  58          1HB       ASN  58  11.203  -1.041  -5.163
  447   1HD2  ASN  58          2HD2      ASN  58  10.765  -4.140  -6.389
  448   2HD2  ASN  58          1HD2      ASN  58  12.231  -4.873  -5.760
  449    H    THR  59           H        THR  59  10.327  -3.179  -1.473
  450    HA   THR  59           HA       THR  59  11.455  -1.113   0.191
  451    HB   THR  59           HB       THR  59  11.365  -4.127   0.657
  452    HG1  THR  59           HG1      THR  59   9.320  -3.468   0.094
  453   1HG2  THR  59          1HG2      THR  59  11.087  -3.459   3.024
  454   2HG2  THR  59          2HG2      THR  59  11.249  -1.751   2.562
  455   3HG2  THR  59          3HG2      THR  59  12.625  -2.864   2.375
  456    H    ASP  60           HN       ASP  60  12.791  -3.624  -1.837
  457    HA   ASP  60           HA       ASP  60  15.391  -3.840  -0.601
  458   1HB   ASP  60          1HB       ASP  60  13.964  -5.406  -2.203
  459   2HB   ASP  60          2HB       ASP  60  14.745  -4.496  -3.497
  460    H    GLU  61           HN       GLU  61  13.937  -2.113  -3.278
  461    HA   GLU  61           HA       GLU  61  16.292  -0.603  -4.095
  462   1HB   GLU  61          2HB       GLU  61  14.522  -1.496  -5.620
  463   2HB   GLU  61          1HB       GLU  61  13.343  -0.440  -4.822
  464   1HG   GLU  61          2HG       GLU  61  14.581   1.556  -5.632
  465   2HG   GLU  61          1HG       GLU  61  15.757   0.489  -6.422
  466    H    SER  62           H        SER  62  13.478  -0.076  -1.999
  467    HA   SER  62           HA       SER  62  14.245   2.780  -1.547
  468   1HB   SER  62          2HB       SER  62  12.194   2.304  -2.956
  469   2HB   SER  62          1HB       SER  62  11.474   1.570  -1.525
  470    HG   SER  62           HG       SER  62  11.685   3.476  -0.430
  471    HA   PRO  63           HA       PRO  63  14.079   0.240   2.502
  472   1HB   PRO  63          1HB       PRO  63  16.669   0.543   3.280
  473   2HB   PRO  63          2HB       PRO  63  16.186  -0.745   2.133
  474   1HG   PRO  63          2HG       PRO  63  17.279   2.012   1.432
  475   2HG   PRO  63          1HG       PRO  63  17.885   0.451   0.868
  476   1HD   PRO  63          1HD       PRO  63  16.139   1.831  -0.635
  477   2HD   PRO  63          2HD       PRO  63  15.956   0.052  -0.484
  478    H    ASN  64           H        ASN  64  15.545   3.194   1.291
  479    HA   ASN  64           HA       ASN  64  15.814   4.950   3.304
  480   1HB   ASN  64          1HB       ASN  64  14.095   5.561   0.851
  481   2HB   ASN  64          2HB       ASN  64  14.932   6.733   1.875
  482   1HD2  ASN  64          1HD2      ASN  64  15.707   7.395  -0.324
  483   2HD2  ASN  64          2HD2      ASN  64  17.163   6.597  -0.929
  484    H    VAL  65           H        VAL  65  12.626   4.360   1.819
  485    HA   VAL  65           HA       VAL  65  11.104   5.919   3.632
  486    HB   VAL  65           HB       VAL  65  10.330   3.576   1.825
  487   1HG1  VAL  65          1HG2      VAL  65   8.050   4.655   1.950
  488   2HG1  VAL  65          2HG2      VAL  65   8.671   5.667   3.276
  489   3HG1  VAL  65          3HG2      VAL  65   8.587   3.899   3.455
  490   1HG2  VAL  65          1HG1      VAL  65  10.234   6.602   1.418
  491   2HG2  VAL  65          2HG1      VAL  65  11.350   5.486   0.610
  492   3HG2  VAL  65          3HG1      VAL  65   9.613   5.374   0.290
  493    H    ALA  66           H        ALA  66  11.672   2.436   3.449
  494    HA   ALA  66           HA       ALA  66  10.195   1.630   5.737
  495   1HB   ALA  66          1HB       ALA  66  12.808   0.419   4.719
  496   2HB   ALA  66          2HB       ALA  66  11.184   0.057   4.095
  497   3HB   ALA  66          3HB       ALA  66  11.616  -0.367   5.762
  498    H    SER  67           H        SER  67  13.516   2.897   5.505
  499    HA   SER  67           HA       SER  67  14.148   2.582   8.291
  500   1HB   SER  67          1HB       SER  67  15.383   4.528   6.290
  501   2HB   SER  67          2HB       SER  67  16.089   3.930   7.796
  502    HG   SER  67           HG       SER  67  15.400   2.351   5.522
  503    H    GLU  68           HN       GLU  68  12.944   5.297   6.327
  504    HA   GLU  68           HA       GLU  68  12.880   7.307   8.333
  505   1HB   GLU  68          2HB       GLU  68  11.110   6.825   5.900
  506   2HB   GLU  68          1HB       GLU  68  10.991   8.261   6.909
  507   1HG   GLU  68          1HG       GLU  68  13.150   9.033   6.325
  508   2HG   GLU  68          2HG       GLU  68  13.661   7.469   5.695
  509    H    TYR  69           H        TYR  69  10.431   4.831   7.457
  510    HA   TYR  69           HA       TYR  69   8.621   5.698   9.595
  511   1HB   TYR  69          2HB       TYR  69   8.718   3.349   7.679
  512   2HB   TYR  69          1HB       TYR  69   7.583   3.381   9.017
  513    HD1  TYR  69           HD1      TYR  69   6.110   5.546   9.295
  514    HD2  TYR  69           HD2      TYR  69   8.045   4.372   5.633
  515    HE1  TYR  69           HE1      TYR  69   4.641   7.087   8.027
  516    HE2  TYR  69           HE2      TYR  69   6.554   5.908   4.360
  517    HH   TYR  69           HH       TYR  69   4.181   8.008   5.977
  518    H    GLY  70           H        GLY  70  11.115   3.198   9.240
  519   1HA   GLY  70          2HA       GLY  70  12.480   2.514  11.038
  520   2HA   GLY  70          1HA       GLY  70  11.214   2.913  12.204
  521    H    ILE  71           H        ILE  71  11.159   0.939   9.167
  522    HA   ILE  71           HA       ILE  71  10.599  -1.527  10.680
  523    HB   ILE  71           HB       ILE  71   8.935  -1.978   8.852
  524   1HG1  ILE  71          1HG1      ILE  71   8.948   1.020   8.363
  525   2HG1  ILE  71          2HG1      ILE  71   9.758  -0.159   7.315
  526   1HG2  ILE  71          1HG2      ILE  71   8.194   0.404  10.615
  527   2HG2  ILE  71          2HG2      ILE  71   8.323  -1.266  11.202
  528   3HG2  ILE  71          3HG2      ILE  71   7.099  -0.851  10.003
  529   1HD1  ILE  71          1HD1      ILE  71   7.576   0.409   6.423
  530   2HD1  ILE  71          2HD1      ILE  71   7.618  -1.301   6.893
  531   3HD1  ILE  71          3HD1      ILE  71   6.782  -0.105   7.916
  532    H    ARG  72           HN       ARG  72  10.571  -3.312   8.758
  533    HA   ARG  72           HA       ARG  72  12.573  -2.863   6.689
  534   1HB   ARG  72          1HB       ARG  72  14.119  -3.104   8.529
  535   2HB   ARG  72          2HB       ARG  72  13.194  -4.453   9.197
  536   1HG   ARG  72          2HG       ARG  72  13.781  -5.817   7.169
  537   2HG   ARG  72          1HG       ARG  72  14.733  -4.464   6.556
  538   1HD   ARG  72          2HD       ARG  72  16.102  -6.258   7.713
  539   2HD   ARG  72          1HD       ARG  72  16.310  -4.628   8.355
  540    HE   ARG  72           HE       ARG  72  15.687  -5.397  10.375
  541   1HH1  ARG  72          1HH1      ARG  72  14.182  -7.564   8.029
  542   2HH1  ARG  72          2HH1      ARG  72  12.945  -8.108   9.134
  543   1HH2  ARG  72          2HH2      ARG  72  14.373  -6.435  11.917
  544   2HH2  ARG  72          1HH2      ARG  72  13.288  -7.712  11.433
  545    H    SER  73           H        SER  73  11.364  -5.633   8.706
  546    HA   SER  73           HA       SER  73  11.092  -7.433   6.622
  547   1HB   SER  73          1HB       SER  73   9.226  -7.167   8.973
  548   2HB   SER  73          2HB       SER  73   9.613  -8.666   8.116
  549    HG   SER  73           HG       SER  73  10.770  -8.404  10.114
  550    H    ILE  74           H        ILE  74   9.174  -8.254   5.565
  551    HA   ILE  74           HA       ILE  74   6.931  -6.439   5.158
  552    HB   ILE  74           HB       ILE  74   7.321  -6.757   2.606
  553   1HG1  ILE  74          1HG1      ILE  74  10.216  -7.092   3.427
  554   2HG1  ILE  74          2HG1      ILE  74   9.176  -8.427   2.882
  555   1HG2  ILE  74          1HG2      ILE  74   7.539  -4.610   3.945
  556   2HG2  ILE  74          2HG2      ILE  74   8.553  -4.676   2.506
  557   3HG2  ILE  74          3HG2      ILE  74   9.273  -4.944   4.097
  558   1HD1  ILE  74          1HD1      ILE  74   8.728  -7.194   0.767
  559   2HD1  ILE  74          2HD1      ILE  74   9.884  -5.939   1.271
  560   3HD1  ILE  74          3HD1      ILE  74  10.435  -7.591   1.003
  561    HA   PRO  75           HA       PRO  75   5.164  -6.889   3.021
  562   1HB   PRO  75          2HB       PRO  75   2.566  -7.515   3.494
  563   2HB   PRO  75          1HB       PRO  75   3.538  -8.325   2.255
  564   1HG   PRO  75          1HG       PRO  75   3.028  -9.288   5.096
  565   2HG   PRO  75          2HG       PRO  75   2.819 -10.219   3.585
  566   1HD   PRO  75          1HD       PRO  75   5.070 -10.408   5.098
  567   2HD   PRO  75          2HD       PRO  75   5.190 -10.416   3.322
  568    H    THR  76           H        THR  76   3.993  -5.107   3.667
  569    HA   THR  76           HA       THR  76   2.948  -4.693   6.308
  570    HB   THR  76           HB       THR  76   5.631  -3.443   5.599
  571    HG1  THR  76           HG1      THR  76   5.229  -5.441   6.973
  572   1HG2  THR  76          1HG2      THR  76   3.561  -2.529   7.642
  573   2HG2  THR  76          2HG2      THR  76   4.199  -1.567   6.285
  574   3HG2  THR  76          3HG2      THR  76   5.256  -2.012   7.637
  575    H    ILE  77           H        ILE  77   1.209  -3.543   5.775
  576    HA   ILE  77           HA       ILE  77   1.145  -2.063   3.196
  577    HB   ILE  77           HB       ILE  77  -1.024  -3.285   4.927
  578   1HG1  ILE  77          2HG1      ILE  77  -0.184  -3.922   2.061
  579   2HG1  ILE  77          1HG1      ILE  77   0.379  -4.825   3.471
  580   1HG2  ILE  77          1HG2      ILE  77  -2.586  -2.543   3.072
  581   2HG2  ILE  77          2HG2      ILE  77  -1.912  -1.208   3.986
  582   3HG2  ILE  77          3HG2      ILE  77  -1.237  -1.607   2.395
  583   1HD1  ILE  77          1HD1      ILE  77  -1.408  -6.061   2.514
  584   2HD1  ILE  77          2HD1      ILE  77  -2.495  -4.669   2.504
  585   3HD1  ILE  77          3HD1      ILE  77  -1.984  -5.389   4.050
  586    H    MET  78           H        MET  78   0.400   0.133   3.239
  587    HA   MET  78           HA       MET  78  -0.205   1.323   5.895
  588   1HB   MET  78          1HB       MET  78   1.794   2.366   3.874
  589   2HB   MET  78          2HB       MET  78   1.106   3.338   5.193
  590   1HG   MET  78          2HG       MET  78   1.978   1.654   6.830
  591   2HG   MET  78          1HG       MET  78   2.810   0.855   5.489
  592   1HE   MET  78          1HE       MET  78   4.437   1.556   7.961
  593   2HE   MET  78          2HE       MET  78   5.114   0.944   6.430
  594   3HE   MET  78          3HE       MET  78   5.856   2.347   7.231
  595    H    VAL  79           H        VAL  79  -1.868   2.666   5.823
  596    HA   VAL  79           HA       VAL  79  -3.168   3.134   3.179
  597    HB   VAL  79           HB       VAL  79  -4.219   3.149   6.043
  598   1HG1  VAL  79          1HG1      VAL  79  -4.900   1.413   3.634
  599   2HG1  VAL  79          2HG1      VAL  79  -3.894   0.922   5.012
  600   3HG1  VAL  79          3HG1      VAL  79  -5.604   1.283   5.263
  601   1HG2  VAL  79          1HG2      VAL  79  -5.708   3.909   3.481
  602   2HG2  VAL  79          2HG2      VAL  79  -6.468   3.625   5.058
  603   3HG2  VAL  79          3HG2      VAL  79  -5.375   4.980   4.849
  604    H    PHE  80           H        PHE  80  -3.529   5.220   2.490
  605    HA   PHE  80           HA       PHE  80  -2.841   7.470   4.293
  606   1HB   PHE  80          1HB       PHE  80  -2.067   7.296   1.360
  607   2HB   PHE  80          2HB       PHE  80  -1.756   8.626   2.445
  608    HD1  PHE  80           HD1      PHE  80   0.396   8.786   3.417
  609    HD2  PHE  80           HD2      PHE  80  -0.960   4.990   1.898
  610    HE1  PHE  80           HE1      PHE  80   2.542   7.751   4.080
  611    HE2  PHE  80           HE2      PHE  80   1.182   3.974   2.535
  612    HZ   PHE  80           HZ       PHE  80   2.893   5.300   3.772
  613    H    LYS  81           HN       LYS  81  -4.086   9.326   3.910
  614    HA   LYS  81           HA       LYS  81  -6.076   9.426   1.812
  615   1HB   LYS  81          1HB       LYS  81  -7.948   9.672   3.618
  616   2HB   LYS  81          2HB       LYS  81  -7.467   8.096   3.010
  617   1HG   LYS  81          2HG       LYS  81  -7.852   7.875   5.302
  618   2HG   LYS  81          1HG       LYS  81  -6.142   7.624   5.022
  619   1HD   LYS  81          2HD       LYS  81  -6.912  10.433   5.667
  620   2HD   LYS  81          1HD       LYS  81  -7.344   9.273   6.926
  621   1HE   LYS  81          1HE       LYS  81  -5.224   8.947   7.608
  622   2HE   LYS  81          2HE       LYS  81  -4.547   8.981   5.970
  623   1HZ   LYS  81          1HZ       LYS  81  -3.803  10.753   7.308
  624   2HZ   LYS  81          2HZ       LYS  81  -4.680  11.327   6.030
  625   3HZ   LYS  81          3HZ       LYS  81  -5.340  11.315   7.548
  626    H    GLY  82           H        GLY  82  -6.594  11.559   1.413
  627   1HA   GLY  82          2HA       GLY  82  -6.169  13.830   1.481
  628   2HA   GLY  82          1HA       GLY  82  -6.139  13.709   3.258
  629    H    GLY  83           H        GLY  83  -4.154  12.211   0.653
  630   1HA   GLY  83          2HA       GLY  83  -1.933  12.213   0.218
  631   2HA   GLY  83          1HA       GLY  83  -1.791  13.663   1.213
  632    H    LYS  84           HN       LYS  84  -2.220  12.940   3.695
  633    HA   LYS  84           HA       LYS  84   0.176  11.326   4.257
  634   1HB   LYS  84          1HB       LYS  84  -1.639  12.831   6.176
  635   2HB   LYS  84          2HB       LYS  84   0.004  12.255   6.501
  636   1HG   LYS  84          2HG       LYS  84  -0.812  14.418   4.513
  637   2HG   LYS  84          1HG       LYS  84   0.024  14.649   6.042
  638   1HD   LYS  84          1HD       LYS  84   2.014  13.480   5.235
  639   2HD   LYS  84          2HD       LYS  84   1.235  13.071   3.700
  640   1HE   LYS  84          2HE       LYS  84   1.714  15.928   4.597
  641   2HE   LYS  84          1HE       LYS  84   2.764  15.001   3.512
  642   1HZ   LYS  84          1HZ       LYS  84  -0.049  15.654   3.000
  643   2HZ   LYS  84          2HZ       LYS  84   1.262  16.328   2.271
  644   3HZ   LYS  84          3HZ       LYS  84   0.903  14.740   2.017
  645    H    LYS  85           HN       LYS  85   0.247  10.022   6.225
  646    HA   LYS  85           HA       LYS  85  -1.066   7.588   5.618
  647   1HB   LYS  85          2HB       LYS  85   1.251   7.877   6.446
  648   2HB   LYS  85          1HB       LYS  85   0.619   8.382   8.023
  649   1HG   LYS  85          2HG       LYS  85  -0.375   6.168   8.366
  650   2HG   LYS  85          1HG       LYS  85   0.083   5.669   6.718
  651   1HD   LYS  85          1HD       LYS  85   2.448   5.818   7.302
  652   2HD   LYS  85          2HD       LYS  85   2.052   6.516   8.893
  653   1HE   LYS  85          1HE       LYS  85   0.820   4.427   9.486
  654   2HE   LYS  85          2HE       LYS  85   1.264   3.733   7.916
  655   1HZ   LYS  85          1HZ       LYS  85   2.717   2.998   9.600
  656   2HZ   LYS  85          2HZ       LYS  85   3.569   3.971   8.575
  657   3HZ   LYS  85          3HZ       LYS  85   3.111   4.537  10.054
  658    H    CYS  86           H        CYS  86  -2.324   6.274   6.913
  659    HA   CYS  86           HA       CYS  86  -4.054   7.512   9.018
  660   1HB   CYS  86          2HB       CYS  86  -5.322   6.847   6.964
  661   2HB   CYS  86          1HB       CYS  86  -4.659   5.230   7.064
  662    HG   CYS  86           HG       CYS  86  -6.395   6.850   9.352
  663    H    GLU  87           HN       GLU  87  -3.195   4.197   7.932
  664    HA   GLU  87           HA       GLU  87  -2.112   3.481  10.567
  665   1HB   GLU  87          1HB       GLU  87  -4.632   2.338   9.276
  666   2HB   GLU  87          2HB       GLU  87  -3.728   1.408  10.466
  667   1HG   GLU  87          1HG       GLU  87  -4.967   4.142  10.980
  668   2HG   GLU  87          2HG       GLU  87  -5.648   2.594  11.468
  669    H    THR  88           H        THR  88  -1.552   1.079  10.489
  670    HA   THR  88           HA       THR  88  -0.190   0.415   7.937
  671    HB   THR  88           HB       THR  88   0.734  -0.175  10.779
  672    HG1  THR  88           HG1      THR  88   0.772   2.051  10.283
  673   1HG2  THR  88          1HG2      THR  88   2.216  -0.347   8.113
  674   2HG2  THR  88          2HG2      THR  88   1.674  -1.731   9.088
  675   3HG2  THR  88          3HG2      THR  88   2.916  -0.636   9.715
  676    H    ILE  89           H        ILE  89  -0.223  -1.892   7.440
  677    HA   ILE  89           HA       ILE  89  -1.716  -3.699   9.202
  678    HB   ILE  89           HB       ILE  89  -2.519  -4.058   6.369
  679   1HG1  ILE  89          1HG1      ILE  89  -3.691  -1.637   7.804
  680   2HG1  ILE  89          2HG1      ILE  89  -2.610  -1.565   6.398
  681   1HG2  ILE  89          1HG2      ILE  89  -4.159  -3.808   8.918
  682   2HG2  ILE  89          2HG2      ILE  89  -3.348  -5.299   8.417
  683   3HG2  ILE  89          3HG2      ILE  89  -4.624  -4.630   7.410
  684   1HD1  ILE  89          1HD1      ILE  89  -4.240  -2.877   5.065
  685   2HD1  ILE  89          2HD1      ILE  89  -4.850  -1.306   5.617
  686   3HD1  ILE  89          3HD1      ILE  89  -5.387  -2.783   6.419
  687    H    ILE  90           H        ILE  90  -1.638  -5.980   7.624
  688    HA   ILE  90           HA       ILE  90   1.151  -6.245   6.668
  689    HB   ILE  90           HB       ILE  90  -0.206  -8.020   8.755
  690   1HG1  ILE  90          1HG1      ILE  90   2.194  -6.129   8.944
  691   2HG1  ILE  90          2HG1      ILE  90   0.623  -5.922   9.734
  692   1HG2  ILE  90          1HG2      ILE  90   2.555  -8.246   7.464
  693   2HG2  ILE  90          2HG2      ILE  90   1.937  -9.276   8.770
  694   3HG2  ILE  90          3HG2      ILE  90   1.189  -9.356   7.199
  695   1HD1  ILE  90          1HD1      ILE  90   2.089  -6.687  11.401
  696   2HD1  ILE  90          2HD1      ILE  90   1.029  -8.054  11.005
  697   3HD1  ILE  90          3HD1      ILE  90   2.709  -8.007  10.406
  698    H    GLY  91           H        GLY  91   1.353  -8.032   5.227
  699   1HA   GLY  91          2HA       GLY  91  -1.022  -8.530   3.585
  700   2HA   GLY  91          1HA       GLY  91   0.634  -9.071   3.279
  701    H    ALA  92           H        ALA  92  -0.075 -11.247   2.802
  702    HA   ALA  92           HA       ALA  92  -0.853 -13.350   3.166
  703   1HB   ALA  92          1HB       ALA  92   0.069 -14.424   5.154
  704   2HB   ALA  92          2HB       ALA  92   1.254 -13.280   4.501
  705   3HB   ALA  92          3HB       ALA  92   0.312 -12.857   5.947
  706    H    VAL  93           H        VAL  93  -2.971 -11.551   3.369
  707    HA   VAL  93           HA       VAL  93  -4.779 -12.992   5.179
  708    HB   VAL  93           HB       VAL  93  -5.880 -10.823   5.783
  709   1HG1  VAL  93          1HG2      VAL  93  -4.689  -8.715   5.631
  710   2HG1  VAL  93          2HG2      VAL  93  -4.859  -9.398   4.010
  711   3HG1  VAL  93          3HG2      VAL  93  -3.303  -9.495   4.846
  712   1HG2  VAL  93          1HG1      VAL  93  -3.045 -11.078   6.845
  713   2HG2  VAL  93          2HG1      VAL  93  -4.450 -12.010   7.397
  714   3HG2  VAL  93          3HG1      VAL  93  -4.405 -10.251   7.620
  715    HA   PRO  94           HA       PRO  94  -7.038 -12.733   1.406
  716   1HB   PRO  94          1HB       PRO  94  -9.630 -13.209   2.131
  717   2HB   PRO  94          2HB       PRO  94  -8.337 -14.429   2.242
  718   1HG   PRO  94          1HG       PRO  94  -9.417 -12.633   4.432
  719   2HG   PRO  94          2HG       PRO  94  -9.127 -14.391   4.526
  720   1HD   PRO  94          2HD       PRO  94  -7.345 -12.523   5.471
  721   2HD   PRO  94          1HD       PRO  94  -6.802 -14.070   4.783
  722    H    LYS  95           HN       LYS  95  -8.517 -11.542   0.166
  723    HA   LYS  95           HA       LYS  95  -8.415  -8.832   0.434
  724   1HB   LYS  95          1HB       LYS  95 -10.288  -8.725  -1.206
  725   2HB   LYS  95          2HB       LYS  95  -8.992  -9.822  -1.696
  726   1HG   LYS  95          2HG       LYS  95 -10.428 -11.754  -0.896
  727   2HG   LYS  95          1HG       LYS  95 -11.746 -10.594  -0.642
  728   1HD   LYS  95          1HD       LYS  95 -10.330 -11.124  -3.294
  729   2HD   LYS  95          2HD       LYS  95 -11.902 -11.769  -2.804
  730   1HE   LYS  95          2HE       LYS  95 -12.766  -9.404  -2.603
  731   2HE   LYS  95          1HE       LYS  95 -11.222  -8.824  -3.263
  732   1HZ   LYS  95          1HZ       LYS  95 -11.627 -10.083  -5.221
  733   2HZ   LYS  95          2HZ       LYS  95 -12.863  -9.032  -4.946
  734   3HZ   LYS  95          3HZ       LYS  95 -13.068 -10.639  -4.633
  735    H    ALA  96           H        ALA  96 -11.088 -10.893   1.511
  736    HA   ALA  96           HA       ALA  96 -12.944  -8.975   2.316
  737   1HB   ALA  96          1HB       ALA  96 -13.699 -10.646   3.978
  738   2HB   ALA  96          2HB       ALA  96 -12.189 -11.558   3.762
  739   3HB   ALA  96          3HB       ALA  96 -13.342 -11.409   2.416
  740    H    THR  97           H        THR  97 -10.016 -10.084   4.118
  741    HA   THR  97           HA       THR  97 -10.605  -8.581   6.501
  742    HB   THR  97           HB       THR  97  -7.930  -9.604   5.444
  743    HG1  THR  97           HG1      THR  97  -9.952 -10.899   6.962
  744   1HG2  THR  97          1HG2      THR  97  -8.944  -9.111   8.283
  745   2HG2  THR  97          2HG2      THR  97  -7.384  -9.837   7.843
  746   3HG2  THR  97          3HG2      THR  97  -7.718  -8.146   7.430
  747    H    ILE  98           H        ILE  98  -8.487  -8.067   3.653
  748    HA   ILE  98           HA       ILE  98  -7.379  -5.558   4.446
  749    HB   ILE  98           HB       ILE  98  -7.913  -6.726   1.671
  750   1HG1  ILE  98          2HG1      ILE  98  -5.412  -6.765   3.417
  751   2HG1  ILE  98          1HG1      ILE  98  -6.499  -8.129   3.119
  752   1HG2  ILE  98          1HG2      ILE  98  -7.534  -4.243   1.591
  753   2HG2  ILE  98          2HG2      ILE  98  -6.078  -4.438   2.586
  754   3HG2  ILE  98          3HG2      ILE  98  -6.138  -5.086   0.938
  755   1HD1  ILE  98          1HD1      ILE  98  -5.994  -7.977   0.672
  756   2HD1  ILE  98          2HD1      ILE  98  -4.622  -8.425   1.699
  757   3HD1  ILE  98          3HD1      ILE  98  -4.729  -6.784   1.057
  758    H    VAL  99           H        VAL  99 -10.194  -6.268   2.386
  759    HA   VAL  99           HA       VAL  99 -11.085  -3.667   1.877
  760    HB   VAL  99           HB       VAL  99 -12.494  -6.351   2.093
  761   1HG1  VAL  99          1HG1      VAL  99 -14.392  -5.223   0.855
  762   2HG1  VAL  99          2HG1      VAL  99 -13.665  -3.664   1.308
  763   3HG1  VAL  99          3HG1      VAL  99 -14.259  -4.782   2.558
  764   1HG2  VAL  99          1HG2      VAL  99 -11.849  -4.541  -0.287
  765   2HG2  VAL  99          2HG2      VAL  99 -10.854  -5.921   0.199
  766   3HG2  VAL  99          3HG2      VAL  99 -12.516  -6.184  -0.353
  767    H    GLN 100           H        GLN 100 -12.258  -5.895   4.527
  768    HA   GLN 100           HA       GLN 100 -13.910  -3.951   5.757
  769   1HB   GLN 100          1HB       GLN 100 -12.380  -6.342   6.846
  770   2HB   GLN 100          2HB       GLN 100 -13.452  -5.363   7.863
  771   1HG   GLN 100          1HG       GLN 100 -15.366  -5.811   6.516
  772   2HG   GLN 100          2HG       GLN 100 -14.416  -6.591   5.248
  773   1HE2  GLN 100          1HE2      GLN 100 -13.107  -8.506   5.945
  774   2HE2  GLN 100          2HE2      GLN 100 -13.863  -9.635   7.086
  775    H    THR 101           H        THR 101 -10.462  -4.687   6.359
  776    HA   THR 101           HA       THR 101 -10.151  -2.854   8.511
  777    HB   THR 101           HB       THR 101  -8.024  -3.815   6.550
  778    HG1  THR 101           HG1      THR 101  -9.076  -5.550   7.495
  779   1HG2  THR 101          1HG2      THR 101  -7.890  -2.759   9.418
  780   2HG2  THR 101          2HG2      THR 101  -7.192  -1.993   7.974
  781   3HG2  THR 101          3HG2      THR 101  -6.546  -3.533   8.564
  782    H    VAL 102           H        VAL 102  -9.655  -2.341   4.947
  783    HA   VAL 102           HA       VAL 102  -8.738   0.360   5.446
  784    HB   VAL 102           HB       VAL 102  -8.277  -1.223   3.479
  785   1HG1  VAL 102          1HG2      VAL 102  -7.668   0.699   2.079
  786   2HG1  VAL 102          2HG2      VAL 102  -7.372   1.077   3.777
  787   3HG1  VAL 102          3HG2      VAL 102  -8.808   1.736   2.974
  788   1HG2  VAL 102          1HG1      VAL 102 -10.667   0.147   2.227
  789   2HG2  VAL 102          2HG1      VAL 102  -9.441  -0.845   1.415
  790   3HG2  VAL 102          3HG1      VAL 102 -10.501  -1.587   2.605
  791    H    GLU 103           HN       GLU 103 -11.801  -1.061   4.396
  792    HA   GLU 103           HA       GLU 103 -13.361   1.243   4.065
  793   1HB   GLU 103          1HB       GLU 103 -14.046  -1.521   5.137
  794   2HB   GLU 103          2HB       GLU 103 -15.252  -0.253   4.925
  795   1HG   GLU 103          1HG       GLU 103 -14.786  -0.046   2.560
  796   2HG   GLU 103          2HG       GLU 103 -13.534  -1.286   2.640
  797    H    LYS 104           HN       LYS 104 -12.708  -0.542   7.085
  798    HA   LYS 104           HA       LYS 104 -14.204   0.939   8.912
  799   1HB   LYS 104          2HB       LYS 104 -12.925  -0.988   9.581
  800   2HB   LYS 104          1HB       LYS 104 -11.403  -0.207   9.127
  801   1HG   LYS 104          1HG       LYS 104 -11.911   1.549  10.953
  802   2HG   LYS 104          2HG       LYS 104 -13.136   0.425  11.530
  803   1HD   LYS 104          2HD       LYS 104 -10.154  -0.179  11.107
  804   2HD   LYS 104          1HD       LYS 104 -10.854   0.393  12.617
  805   1HE   LYS 104          1HE       LYS 104 -10.678  -1.917  12.957
  806   2HE   LYS 104          2HE       LYS 104 -12.387  -1.695  12.556
  807   1HZ   LYS 104          1HZ       LYS 104 -11.844  -2.406  10.317
  808   2HZ   LYS 104          2HZ       LYS 104 -10.257  -2.570  10.722
  809   3HZ   LYS 104          3HZ       LYS 104 -11.390  -3.542  11.415
  810    H    TYR 105           H        TYR 105 -11.036   1.831   7.449
  811    HA   TYR 105           HA       TYR 105 -10.861   4.261   9.087
  812   1HB   TYR 105          1HB       TYR 105  -9.166   3.660   6.670
  813   2HB   TYR 105          2HB       TYR 105  -8.808   4.588   8.133
  814    HD1  TYR 105           HD1      TYR 105  -9.369   2.801  10.357
  815    HD2  TYR 105           HD2      TYR 105  -7.461   2.070   6.566
  816    HE1  TYR 105           HE1      TYR 105  -7.967   1.051  11.398
  817    HE2  TYR 105           HE2      TYR 105  -6.056   0.314   7.611
  818    HH   TYR 105           HH       TYR 105  -6.269  -0.488  11.080
  819    H    LEU 106           H        LEU 106 -11.638   3.348   5.732
  820    HA   LEU 106           HA       LEU 106 -12.229   6.170   4.981
  821   1HB   LEU 106          2HB       LEU 106 -12.213   3.573   3.376
  822   2HB   LEU 106          1HB       LEU 106 -12.530   5.192   2.722
  823    HG   LEU 106           HG       LEU 106  -9.932   4.166   3.942
  824   1HD1  LEU 106          1HD2      LEU 106 -10.082   6.557   4.425
  825   2HD1  LEU 106          2HD2      LEU 106 -10.602   6.898   2.757
  826   3HD1  LEU 106          3HD2      LEU 106  -8.961   6.300   3.087
  827   1HD2  LEU 106          1HD1      LEU 106  -9.106   4.362   1.632
  828   2HD2  LEU 106          2HD1      LEU 106 -10.704   4.886   1.067
  829   3HD2  LEU 106          3HD1      LEU 106 -10.491   3.253   1.716
  830    H    ASN 107           H        ASN 107 -14.134   3.632   3.495
  831    HA   ASN 107           HA       ASN 107 -16.351   3.567   5.188
  832   1HB   ASN 107          1HB       ASN 107 -16.533   5.931   4.100
  833   2HB   ASN 107          2HB       ASN 107 -16.735   5.085   2.563
  834   1HD2  ASN 107          1HD2      ASN 107 -18.409   2.880   3.554
  835   2HD2  ASN 107          2HD2      ASN 107 -19.951   3.618   4.008
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  -6.341  -3.862 -13.234
    2   2H    MET   1          2H        MET   1  -5.815  -3.534 -11.714
    3   3H    MET   1          3H        MET   1  -6.902  -2.543 -12.451
    4    HA   MET   1           HA       MET   1  -4.063  -2.816 -13.090
    5   1HB   MET   1          2HB       MET   1  -4.513  -1.464 -15.123
    6   2HB   MET   1          1HB       MET   1  -5.205  -3.075 -15.201
    7   1HG   MET   1          1HG       MET   1  -6.861  -0.644 -14.362
    8   2HG   MET   1          2HG       MET   1  -6.642  -1.117 -16.045
    9   1HE   MET   1          1HE       MET   1  -7.726  -3.067 -17.226
   10   2HE   MET   1          2HE       MET   1  -8.681  -4.338 -16.434
   11   3HE   MET   1          3HE       MET   1  -6.924  -4.273 -16.187
   12    H    GLU   2           HN       GLU   2  -4.954  -1.787 -10.651
   13    HA   GLU   2           HA       GLU   2  -4.846   1.186 -10.999
   14   1HB   GLU   2          2HB       GLU   2  -6.059  -0.401  -8.706
   15   2HB   GLU   2          1HB       GLU   2  -6.031   1.351  -8.918
   16   1HG   GLU   2          2HG       GLU   2  -8.203   0.771  -9.612
   17   2HG   GLU   2          1HG       GLU   2  -7.323   0.956 -11.135
   18    H    ALA   3           H        ALA   3  -3.588  -1.652  -9.293
   19    HA   ALA   3           HA       ALA   3  -2.001  -0.253  -7.376
   20   1HB   ALA   3          1HB       ALA   3  -1.720  -3.042  -8.553
   21   2HB   ALA   3          2HB       ALA   3  -0.886  -2.430  -7.106
   22   3HB   ALA   3          3HB       ALA   3  -2.646  -2.576  -7.109
   23    H    GLY   4           H        GLY   4  -0.725   1.420  -8.321
   24   1HA   GLY   4          2HA       GLY   4   1.062   0.856 -10.572
   25   2HA   GLY   4          1HA       GLY   4   1.029   2.304  -9.554
   26    H    ALA   5           H        ALA   5   3.510   1.862  -9.900
   27    HA   ALA   5           HA       ALA   5   4.527   0.232  -7.621
   28   1HB   ALA   5          1HB       ALA   5   5.781   0.534 -10.376
   29   2HB   ALA   5          2HB       ALA   5   6.506  -0.289  -8.977
   30   3HB   ALA   5          3HB       ALA   5   5.033  -0.943  -9.723
   31    H    VAL   6           H        VAL   6   6.095   1.327  -6.372
   32    HA   VAL   6           HA       VAL   6   7.058   3.962  -7.343
   33    HB   VAL   6           HB       VAL   6   6.529   4.820  -4.915
   34   1HG1  VAL   6          1HG1      VAL   6   4.364   2.689  -5.123
   35   2HG1  VAL   6          2HG1      VAL   6   4.409   4.034  -3.974
   36   3HG1  VAL   6          3HG1      VAL   6   5.647   2.789  -3.919
   37   1HG2  VAL   6          1HG2      VAL   6   4.454   4.628  -7.089
   38   2HG2  VAL   6          2HG2      VAL   6   4.337   5.667  -5.648
   39   3HG2  VAL   6          3HG2      VAL   6   5.646   5.904  -6.811
   40    H    ASN   7           H        ASN   7   8.577   4.954  -5.853
   41    HA   ASN   7           HA       ASN   7  10.160   3.186  -4.168
   42   1HB   ASN   7          2HB       ASN   7  11.319   2.859  -6.249
   43   2HB   ASN   7          1HB       ASN   7  11.177   4.579  -6.678
   44   1HD2  ASN   7          2HD2      ASN   7  12.508   2.758  -3.811
   45   2HD2  ASN   7          1HD2      ASN   7  14.091   3.469  -3.924
   46    H    ASP   8           HN       ASP   8  11.882   4.689  -3.177
   47    HA   ASP   8           HA       ASP   8  10.856   6.537  -1.497
   48   1HB   ASP   8          2HB       ASP   8  13.623   6.728  -2.808
   49   2HB   ASP   8          1HB       ASP   8  13.119   7.626  -1.374
   50    H    ASP   9           HN       ASP   9  12.138   7.394  -4.694
   51    HA   ASP   9           HA       ASP   9  11.605  10.222  -4.466
   52   1HB   ASP   9          1HB       ASP   9  13.231   9.422  -6.065
   53   2HB   ASP   9          2HB       ASP   9  12.052   8.406  -6.884
   54    H    THR  10           H        THR  10  10.050   7.994  -6.776
   55    HA   THR  10           HA       THR  10   7.914   9.579  -7.492
   56    HB   THR  10           HB       THR  10   6.847   7.350  -8.140
   57    HG1  THR  10           HG1      THR  10   8.413   5.595  -7.935
   58   1HG2  THR  10          1HG2      THR  10   8.358   8.616  -9.637
   59   2HG2  THR  10          2HG2      THR  10   9.764   7.798  -8.933
   60   3HG2  THR  10          3HG2      THR  10   8.555   6.869  -9.841
   61    H    PHE  11           H        PHE  11   8.066   7.354  -4.771
   62    HA   PHE  11           HA       PHE  11   5.569   7.126  -3.728
   63   1HB   PHE  11          1HB       PHE  11   7.639   6.316  -2.712
   64   2HB   PHE  11          2HB       PHE  11   8.155   7.937  -2.336
   65    HD1  PHE  11           HD1      PHE  11   7.849   8.707  -0.146
   66    HD2  PHE  11           HD2      PHE  11   5.343   5.545  -1.661
   67    HE1  PHE  11           HE1      PHE  11   6.927   8.352   2.117
   68    HE2  PHE  11           HE2      PHE  11   4.335   5.268   0.590
   69    HZ   PHE  11           HZ       PHE  11   5.162   6.630   2.490
   70    H    LYS  12           HN       LYS  12   7.673   9.895  -3.405
   71    HA   LYS  12           HA       LYS  12   6.259  11.608  -1.688
   72   1HB   LYS  12          1HB       LYS  12   7.882  12.249  -4.190
   73   2HB   LYS  12          2HB       LYS  12   7.202  13.470  -3.137
   74   1HG   LYS  12          1HG       LYS  12   8.540  12.601  -1.226
   75   2HG   LYS  12          2HG       LYS  12   9.050  11.207  -2.190
   76   1HD   LYS  12          2HD       LYS  12  10.871  12.770  -2.100
   77   2HD   LYS  12          1HD       LYS  12  10.260  12.676  -3.758
   78   1HE   LYS  12          1HE       LYS  12   9.029  14.808  -3.442
   79   2HE   LYS  12          2HE       LYS  12   9.543  14.869  -1.744
   80   1HZ   LYS  12          1HZ       LYS  12  11.314  14.953  -4.085
   81   2HZ   LYS  12          2HZ       LYS  12  11.800  15.024  -2.511
   82   3HZ   LYS  12          3HZ       LYS  12  10.887  16.240  -3.149
   83    H    ASN  13           H        ASN  13   6.081  11.821  -5.272
   84    HA   ASN  13           HA       ASN  13   3.838  13.622  -5.102
   85   1HB   ASN  13          2HB       ASN  13   5.552  13.466  -7.006
   86   2HB   ASN  13          1HB       ASN  13   4.711  12.037  -7.561
   87   1HD2  ASN  13          1HD2      ASN  13   3.880  15.396  -6.402
   88   2HD2  ASN  13          2HD2      ASN  13   2.713  15.674  -7.691
   89    H    VAL  14           H        VAL  14   4.337  10.253  -5.914
   90    HA   VAL  14           HA       VAL  14   1.732   9.941  -6.980
   91    HB   VAL  14           HB       VAL  14   3.830   7.911  -6.081
   92   1HG1  VAL  14          1HG1      VAL  14   2.959   8.845  -8.856
   93   2HG1  VAL  14          2HG1      VAL  14   4.435   9.373  -8.032
   94   3HG1  VAL  14          3HG1      VAL  14   4.250   7.680  -8.505
   95   1HG2  VAL  14          1HG2      VAL  14   2.615   6.245  -7.523
   96   2HG2  VAL  14          2HG2      VAL  14   1.245   7.363  -7.600
   97   3HG2  VAL  14          3HG2      VAL  14   1.751   6.668  -6.043
   98    H    VAL  15           H        VAL  15   3.091   9.383  -3.751
   99    HA   VAL  15           HA       VAL  15   0.473   8.366  -2.755
  100    HB   VAL  15           HB       VAL  15   3.183   8.214  -1.374
  101   1HG1  VAL  15          1HG1      VAL  15   0.632   6.679  -0.852
  102   2HG1  VAL  15          2HG1      VAL  15   1.096   8.141   0.040
  103   3HG1  VAL  15          3HG1      VAL  15   2.136   6.731   0.110
  104   1HG2  VAL  15          1HG2      VAL  15   3.347   6.926  -3.429
  105   2HG2  VAL  15          2HG2      VAL  15   1.767   6.185  -3.123
  106   3HG2  VAL  15          3HG2      VAL  15   3.140   5.832  -2.059
  107    H    LEU  16           H        LEU  16   3.187  10.273  -1.348
  108    HA   LEU  16           HA       LEU  16   1.629  11.277   0.762
  109   1HB   LEU  16          1HB       LEU  16   4.021  12.707  -0.460
  110   2HB   LEU  16          2HB       LEU  16   3.376  12.873   1.160
  111    HG   LEU  16           HG       LEU  16   4.740  10.401  -0.010
  112   1HD1  LEU  16          1HD1      LEU  16   6.461  10.909   1.646
  113   2HD1  LEU  16          2HD1      LEU  16   5.520  12.294   2.244
  114   3HD1  LEU  16          3HD1      LEU  16   6.200  12.321   0.605
  115   1HD2  LEU  16          1HD2      LEU  16   3.007   9.602   1.519
  116   2HD2  LEU  16          2HD2      LEU  16   3.466  10.825   2.728
  117   3HD2  LEU  16          3HD2      LEU  16   4.569   9.499   2.332
  118    H    GLU  17           HN       GLU  17   2.501  13.008  -2.250
  119    HA   GLU  17           HA       GLU  17   0.697  15.226  -1.595
  120   1HB   GLU  17          1HB       GLU  17   2.137  14.642  -4.196
  121   2HB   GLU  17          2HB       GLU  17   1.457  16.182  -3.681
  122   1HG   GLU  17          2HG       GLU  17   3.058  16.287  -1.786
  123   2HG   GLU  17          1HG       GLU  17   3.830  14.797  -2.341
  124    H    SER  18           H        SER  18  -0.341  12.228  -2.381
  125    HA   SER  18           HA       SER  18  -1.852  12.703  -4.779
  126   1HB   SER  18          2HB       SER  18  -1.361  10.456  -3.893
  127   2HB   SER  18          1HB       SER  18  -2.398  10.789  -2.483
  128    HG   SER  18           HG       SER  18  -4.099  10.425  -3.692
  129    H    SER  19           H        SER  19  -4.167  13.094  -4.932
  130    HA   SER  19           HA       SER  19  -5.173  15.097  -3.049
  131   1HB   SER  19          2HB       SER  19  -7.090  14.988  -4.774
  132   2HB   SER  19          1HB       SER  19  -5.503  15.513  -5.377
  133    HG   SER  19           HG       SER  19  -6.382  13.897  -6.739
  134    H    VAL  20           H        VAL  20  -6.476  12.150  -4.525
  135    HA   VAL  20           HA       VAL  20  -8.272  11.641  -2.271
  136    HB   VAL  20           HB       VAL  20  -8.929   9.623  -3.526
  137   1HG1  VAL  20          1HG2      VAL  20  -6.825  10.411  -5.592
  138   2HG1  VAL  20          2HG2      VAL  20  -6.774   8.974  -4.549
  139   3HG1  VAL  20          3HG2      VAL  20  -8.051   9.143  -5.756
  140   1HG2  VAL  20          1HG1      VAL  20  -9.919  10.743  -5.447
  141   2HG2  VAL  20          2HG1      VAL  20  -8.766  12.085  -5.315
  142   3HG2  VAL  20          3HG1      VAL  20  -9.968  11.811  -4.035
  143    HA   PRO  21           HA       PRO  21  -5.556   9.139   0.169
  144   1HB   PRO  21          1HB       PRO  21  -7.730   7.030   0.132
  145   2HB   PRO  21          2HB       PRO  21  -6.810   7.603   1.544
  146   1HG   PRO  21          1HG       PRO  21  -9.291   8.476   1.083
  147   2HG   PRO  21          2HG       PRO  21  -8.041   9.639   1.617
  148   1HD   PRO  21          1HD       PRO  21  -9.196   9.304  -1.147
  149   2HD   PRO  21          2HD       PRO  21  -8.628  10.762  -0.297
  150    H    VAL  22           H        VAL  22  -4.464   6.997   0.289
  151    HA   VAL  22           HA       VAL  22  -4.346   5.545  -2.277
  152    HB   VAL  22           HB       VAL  22  -1.912   6.786  -0.923
  153   1HG1  VAL  22          1HG2      VAL  22  -0.937   6.267  -3.205
  154   2HG1  VAL  22          2HG2      VAL  22  -2.421   5.340  -3.527
  155   3HG1  VAL  22          3HG2      VAL  22  -1.352   4.868  -2.191
  156   1HG2  VAL  22          1HG1      VAL  22  -3.160   8.681  -1.740
  157   2HG2  VAL  22          2HG1      VAL  22  -3.446   7.884  -3.302
  158   3HG2  VAL  22          3HG1      VAL  22  -1.813   8.363  -2.831
  159    H    LEU  23           H        LEU  23  -3.622   3.435  -2.083
  160    HA   LEU  23           HA       LEU  23  -2.937   2.372   0.613
  161   1HB   LEU  23          2HB       LEU  23  -4.885   1.467  -0.672
  162   2HB   LEU  23          1HB       LEU  23  -3.810   0.927  -1.937
  163    HG   LEU  23           HG       LEU  23  -3.133   0.051   0.866
  164   1HD1  LEU  23          1HD1      LEU  23  -1.795  -0.722  -1.118
  165   2HD1  LEU  23          2HD1      LEU  23  -3.281  -1.395  -1.819
  166   3HD1  LEU  23          3HD1      LEU  23  -2.620  -2.079  -0.333
  167   1HD2  LEU  23          1HD2      LEU  23  -4.782  -1.801   0.769
  168   2HD2  LEU  23          2HD2      LEU  23  -5.514  -1.065  -0.673
  169   3HD2  LEU  23          3HD2      LEU  23  -5.560  -0.217   0.892
  170    H    VAL  24           H        VAL  24  -0.795   1.655   0.908
  171    HA   VAL  24           HA       VAL  24   0.922   1.369  -1.544
  172    HB   VAL  24           HB       VAL  24   1.729   2.583   1.107
  173   1HG1  VAL  24          1HG1      VAL  24   3.265   2.132  -1.500
  174   2HG1  VAL  24          2HG1      VAL  24   3.572   1.292   0.033
  175   3HG1  VAL  24          3HG1      VAL  24   3.868   3.024  -0.090
  176   1HG2  VAL  24          1HG2      VAL  24   0.368   4.157  -0.209
  177   2HG2  VAL  24          2HG2      VAL  24   2.080   4.599  -0.280
  178   3HG2  VAL  24          3HG2      VAL  24   1.321   3.796  -1.667
  179    H    ASP  25           HN       ASP  25   1.327  -0.773  -1.749
  180    HA   ASP  25           HA       ASP  25   1.644  -2.436   0.713
  181   1HB   ASP  25          1HB       ASP  25   0.319  -3.445  -1.070
  182   2HB   ASP  25          2HB       ASP  25   1.648  -3.199  -2.219
  183    H    PHE  26           H        PHE  26   3.678  -2.459   1.610
  184    HA   PHE  26           HA       PHE  26   6.030  -1.681  -0.018
  185   1HB   PHE  26          1HB       PHE  26   5.618  -2.479   2.873
  186   2HB   PHE  26          2HB       PHE  26   7.207  -2.378   2.138
  187    HD1  PHE  26           HD1      PHE  26   8.398  -0.400   2.380
  188    HD2  PHE  26           HD2      PHE  26   4.081  -0.200   2.304
  189    HE1  PHE  26           HE1      PHE  26   8.486   1.941   3.138
  190    HE2  PHE  26           HE2      PHE  26   4.204   2.214   2.795
  191    HZ   PHE  26           HZ       PHE  26   6.372   3.233   3.467
  192    H    TRP  27           H        TRP  27   6.889  -3.189  -1.363
  193    HA   TRP  27           HA       TRP  27   6.711  -6.073  -0.598
  194   1HB   TRP  27          2HB       TRP  27   6.105  -6.641  -2.844
  195   2HB   TRP  27          1HB       TRP  27   4.972  -5.421  -2.298
  196    HD1  TRP  27           HD1      TRP  27   5.620  -2.868  -3.219
  197    HE1  TRP  27           HE1      TRP  27   6.719  -2.067  -5.431
  198    HE3  TRP  27           HE3      TRP  27   7.435  -7.337  -4.834
  199    HZ2  TRP  27           HZ2      TRP  27   8.423  -3.217  -7.436
  200    HZ3  TRP  27           HZ3      TRP  27   8.856  -7.451  -6.882
  201    HH2  TRP  27           HH2      TRP  27   9.328  -5.410  -8.193
  202    H    ALA  28           H        ALA  28   8.018  -7.265  -2.548
  203    HA   ALA  28           HA       ALA  28  10.306  -5.944  -3.573
  204   1HB   ALA  28          1HB       ALA  28  11.091  -6.182  -1.163
  205   2HB   ALA  28          2HB       ALA  28  12.052  -7.181  -2.247
  206   3HB   ALA  28          3HB       ALA  28  10.786  -7.930  -1.274
  207    HA   PRO  29           HA       PRO  29   9.681  -9.470  -6.204
  208   1HB   PRO  29          1HB       PRO  29  12.198 -10.288  -6.990
  209   2HB   PRO  29          2HB       PRO  29  11.342  -8.844  -7.615
  210   1HG   PRO  29          2HG       PRO  29  13.427  -8.955  -5.428
  211   2HG   PRO  29          1HG       PRO  29  13.344  -7.817  -6.803
  212   1HD   PRO  29          1HD       PRO  29  12.442  -7.090  -4.364
  213   2HD   PRO  29          2HD       PRO  29  11.496  -6.656  -5.799
  214    H    TRP  30           H        TRP  30  12.231  -9.956  -3.754
  215    HA   TRP  30           HA       TRP  30  11.825 -12.815  -3.552
  216   1HB   TRP  30          1HB       TRP  30  13.215 -12.547  -1.508
  217   2HB   TRP  30          2HB       TRP  30  13.938 -11.884  -2.966
  218    HD1  TRP  30           HD1      TRP  30  14.630  -9.412  -2.963
  219    HE1  TRP  30           HE1      TRP  30  14.702  -7.546  -1.209
  220    HE3  TRP  30           HE3      TRP  30  11.590 -11.516   0.605
  221    HZ2  TRP  30           HZ2      TRP  30  13.503  -6.982   1.343
  222    HZ3  TRP  30           HZ3      TRP  30  11.027 -10.254   2.646
  223    HH2  TRP  30           HH2      TRP  30  11.909  -7.964   2.996
  224    H    CYS  31           H        CYS  31   9.789 -10.211  -2.580
  225    HA   CYS  31           HA       CYS  31   8.988 -11.427  -0.012
  226   1HB   CYS  31          1HB       CYS  31   8.823  -9.001  -0.284
  227   2HB   CYS  31          2HB       CYS  31   7.706  -9.230  -1.620
  228    H    GLY  32           H        GLY  32   8.655 -13.552  -0.936
  229   1HA   GLY  32          1HA       GLY  32   7.023 -14.577  -2.758
  230   2HA   GLY  32          2HA       GLY  32   7.016 -15.236  -1.122
  231    HA   PRO  33           HA       PRO  33   2.841 -14.113  -0.370
  232   1HB   PRO  33          2HB       PRO  33   3.506 -11.871   1.503
  233   2HB   PRO  33          1HB       PRO  33   2.366 -13.221   1.746
  234   1HG   PRO  33          1HG       PRO  33   4.775 -13.231   2.931
  235   2HG   PRO  33          2HG       PRO  33   4.163 -14.737   2.175
  236   1HD   PRO  33          1HD       PRO  33   6.176 -12.791   1.028
  237   2HD   PRO  33          2HD       PRO  33   6.202 -14.576   1.007
  238    H    CYS  34           H        CYS  34   4.869 -11.215  -0.782
  239    HA   CYS  34           HA       CYS  34   2.835  -9.296  -1.395
  240   1HB   CYS  34          2HB       CYS  34   5.637  -9.313  -2.474
  241   2HB   CYS  34          1HB       CYS  34   4.445  -8.025  -2.455
  242    H    ARG  35           HN       ARG  35   4.802 -11.507  -3.447
  243    HA   ARG  35           HA       ARG  35   3.821 -10.671  -5.960
  244   1HB   ARG  35          2HB       ARG  35   4.706 -13.477  -5.129
  245   2HB   ARG  35          1HB       ARG  35   4.626 -12.821  -6.755
  246   1HG   ARG  35          1HG       ARG  35   6.567 -12.084  -4.539
  247   2HG   ARG  35          2HG       ARG  35   6.921 -12.800  -6.104
  248   1HD   ARG  35          1HD       ARG  35   5.990  -9.960  -5.547
  249   2HD   ARG  35          2HD       ARG  35   7.583 -10.480  -6.110
  250    HE   ARG  35           HE       ARG  35   5.940 -11.485  -8.043
  251   1HH1  ARG  35          1HH1      ARG  35   6.386  -8.247  -6.709
  252   2HH1  ARG  35          2HH1      ARG  35   5.868  -7.421  -8.151
  253   1HH2  ARG  35          1HH2      ARG  35   5.254 -10.430  -9.933
  254   2HH2  ARG  35          2HH2      ARG  35   5.219  -8.691 -10.024
  255    H    ILE  36           H        ILE  36   2.650 -13.374  -3.895
  256    HA   ILE  36           HA       ILE  36   0.499 -13.959  -5.775
  257    HB   ILE  36           HB       ILE  36  -0.291 -15.523  -4.037
  258   1HG1  ILE  36          1HG1      ILE  36   2.181 -14.776  -2.430
  259   2HG1  ILE  36          2HG1      ILE  36   0.588 -14.078  -2.091
  260   1HG2  ILE  36          1HG2      ILE  36   1.645 -17.038  -4.239
  261   2HG2  ILE  36          2HG2      ILE  36   2.715 -15.673  -4.610
  262   3HG2  ILE  36          3HG2      ILE  36   1.429 -16.133  -5.742
  263   1HD1  ILE  36          1HD1      ILE  36   0.952 -15.895  -0.614
  264   2HD1  ILE  36          2HD1      ILE  36   1.228 -17.013  -1.971
  265   3HD1  ILE  36          3HD1      ILE  36  -0.378 -16.266  -1.733
  266    H    ILE  37           H        ILE  37   0.699 -11.992  -2.828
  267    HA   ILE  37           HA       ILE  37  -2.156 -11.480  -2.728
  268    HB   ILE  37           HB       ILE  37   0.219 -10.135  -1.388
  269   1HG1  ILE  37          2HG1      ILE  37  -1.950 -11.990  -0.257
  270   2HG1  ILE  37          1HG1      ILE  37  -0.399 -12.585  -0.818
  271   1HG2  ILE  37          1HG2      ILE  37  -1.698  -8.543  -1.453
  272   2HG2  ILE  37          2HG2      ILE  37  -1.408  -9.113   0.168
  273   3HG2  ILE  37          3HG2      ILE  37  -2.753  -9.791  -0.766
  274   1HD1  ILE  37          1HD1      ILE  37   0.746 -11.071   0.836
  275   2HD1  ILE  37          2HD1      ILE  37  -0.856 -10.742   1.543
  276   3HD1  ILE  37          3HD1      ILE  37  -0.221 -12.391   1.520
  277    H    ALA  38           H        ALA  38   0.498  -9.957  -4.535
  278    HA   ALA  38           HA       ALA  38  -0.294  -7.499  -5.149
  279   1HB   ALA  38          1HB       ALA  38   0.613  -7.769  -7.388
  280   2HB   ALA  38          2HB       ALA  38   1.592  -8.667  -6.217
  281   3HB   ALA  38          3HB       ALA  38   0.471  -9.529  -7.290
  282    HA   PRO  39           HA       PRO  39  -3.772  -8.611  -8.331
  283   1HB   PRO  39          2HB       PRO  39  -4.926 -11.135  -7.229
  284   2HB   PRO  39          1HB       PRO  39  -4.622 -10.697  -8.931
  285   1HG   PRO  39          2HG       PRO  39  -3.052 -12.533  -7.645
  286   2HG   PRO  39          1HG       PRO  39  -2.324 -11.331  -8.758
  287   1HD   PRO  39          1HD       PRO  39  -2.632 -11.098  -5.745
  288   2HD   PRO  39          2HD       PRO  39  -1.121 -10.982  -6.704
  289    H    VAL  40           H        VAL  40  -3.902  -9.679  -4.949
  290    HA   VAL  40           HA       VAL  40  -6.611  -8.887  -4.388
  291    HB   VAL  40           HB       VAL  40  -4.284  -9.365  -2.479
  292   1HG1  VAL  40          1HG1      VAL  40  -5.996  -9.715  -0.837
  293   2HG1  VAL  40          2HG1      VAL  40  -7.245  -9.222  -2.025
  294   3HG1  VAL  40          3HG1      VAL  40  -6.003  -8.066  -1.469
  295   1HG2  VAL  40          1HG2      VAL  40  -4.746 -11.395  -3.839
  296   2HG2  VAL  40          2HG2      VAL  40  -6.478 -11.236  -3.474
  297   3HG2  VAL  40          3HG2      VAL  40  -5.317 -11.596  -2.179
  298    H    VAL  41           H        VAL  41  -3.337  -7.501  -3.890
  299    HA   VAL  41           HA       VAL  41  -4.008  -5.027  -2.722
  300    HB   VAL  41           HB       VAL  41  -1.820  -5.528  -4.805
  301   1HG1  VAL  41          1HG1      VAL  41  -1.483  -7.060  -3.004
  302   2HG1  VAL  41          2HG1      VAL  41  -0.307  -5.773  -2.847
  303   3HG1  VAL  41          3HG1      VAL  41  -1.732  -5.796  -1.780
  304   1HG2  VAL  41          1HG2      VAL  41  -2.042  -3.210  -4.630
  305   2HG2  VAL  41          2HG2      VAL  41  -2.215  -3.246  -2.856
  306   3HG2  VAL  41          3HG2      VAL  41  -0.664  -3.616  -3.626
  307    H    ASP  42           HN       ASP  42  -3.925  -5.960  -6.169
  308    HA   ASP  42           HA       ASP  42  -4.734  -3.401  -7.164
  309   1HB   ASP  42          2HB       ASP  42  -3.599  -5.308  -8.421
  310   2HB   ASP  42          1HB       ASP  42  -5.159  -6.104  -8.526
  311    H    GLU  43           HN       GLU  43  -6.710  -6.431  -7.010
  312    HA   GLU  43           HA       GLU  43  -9.055  -5.133  -7.870
  313   1HB   GLU  43          1HB       GLU  43 -10.208  -7.065  -7.352
  314   2HB   GLU  43          2HB       GLU  43  -8.585  -7.624  -7.770
  315   1HG   GLU  43          1HG       GLU  43  -8.108  -7.650  -5.261
  316   2HG   GLU  43          2HG       GLU  43  -9.839  -7.403  -4.987
  317    H    ILE  44           H        ILE  44  -7.859  -5.546  -4.480
  318    HA   ILE  44           HA       ILE  44 -10.244  -4.508  -3.268
  319    HB   ILE  44           HB       ILE  44  -7.334  -4.561  -2.352
  320   1HG1  ILE  44          2HG1      ILE  44  -9.879  -6.118  -1.662
  321   2HG1  ILE  44          1HG1      ILE  44  -8.492  -6.744  -2.556
  322   1HG2  ILE  44          1HG2      ILE  44  -8.140  -3.917  -0.111
  323   2HG2  ILE  44          2HG2      ILE  44  -9.788  -3.721  -0.748
  324   3HG2  ILE  44          3HG2      ILE  44  -8.474  -2.634  -1.251
  325   1HD1  ILE  44          1HD1      ILE  44  -8.628  -6.038   0.393
  326   2HD1  ILE  44          2HD1      ILE  44  -8.299  -7.605  -0.348
  327   3HD1  ILE  44          3HD1      ILE  44  -7.091  -6.305  -0.465
  328    H    ALA  45           H        ALA  45  -7.402  -2.930  -4.788
  329    HA   ALA  45           HA       ALA  45  -8.162  -0.270  -3.990
  330   1HB   ALA  45          1HB       ALA  45  -6.686   0.476  -5.675
  331   2HB   ALA  45          2HB       ALA  45  -6.724  -1.045  -6.561
  332   3HB   ALA  45          3HB       ALA  45  -5.958  -1.008  -4.965
  333    H    GLY  46           H        GLY  46  -8.733  -2.253  -6.948
  334   1HA   GLY  46          1HA       GLY  46 -10.279  -0.593  -8.497
  335   2HA   GLY  46          2HA       GLY  46 -10.550  -2.339  -8.357
  336    H    GLU  47           HN       GLU  47 -11.539  -2.760  -5.923
  337    HA   GLU  47           HA       GLU  47 -14.246  -2.157  -5.994
  338   1HB   GLU  47          1HB       GLU  47 -12.362  -2.785  -3.681
  339   2HB   GLU  47          2HB       GLU  47 -14.089  -2.601  -3.471
  340   1HG   GLU  47          1HG       GLU  47 -14.505  -4.406  -5.137
  341   2HG   GLU  47          2HG       GLU  47 -12.765  -4.617  -5.356
  342    H    TYR  48           H        TYR  48 -11.679  -0.192  -4.591
  343    HA   TYR  48           HA       TYR  48 -13.653   1.945  -3.836
  344   1HB   TYR  48          1HB       TYR  48 -10.937   1.393  -2.615
  345   2HB   TYR  48          2HB       TYR  48 -12.158   2.517  -2.018
  346    HD1  TYR  48           HD1      TYR  48 -14.568   1.266  -1.581
  347    HD2  TYR  48           HD2      TYR  48 -10.661  -0.555  -1.367
  348    HE1  TYR  48           HE1      TYR  48 -15.472  -0.510  -0.116
  349    HE2  TYR  48           HE2      TYR  48 -11.591  -2.363   0.044
  350    HH   TYR  48           HH       TYR  48 -14.983  -2.409   1.088
  351    H    LYS  49           HN       LYS  49 -12.075   1.486  -6.442
  352    HA   LYS  49           HA       LYS  49  -9.861   2.859  -6.873
  353   1HB   LYS  49          2HB       LYS  49 -11.145   1.788  -8.632
  354   2HB   LYS  49          1HB       LYS  49 -12.394   3.041  -8.559
  355   1HG   LYS  49          1HG       LYS  49 -10.819   4.719  -9.404
  356   2HG   LYS  49          2HG       LYS  49  -9.485   3.547  -9.329
  357   1HD   LYS  49          1HD       LYS  49 -10.500   2.190 -11.078
  358   2HD   LYS  49          2HD       LYS  49 -12.010   3.110 -10.990
  359   1HE   LYS  49          2HE       LYS  49 -10.711   3.761 -12.970
  360   2HE   LYS  49          1HE       LYS  49 -10.913   5.123 -11.858
  361   1HZ   LYS  49          1HZ       LYS  49  -8.513   3.442 -12.084
  362   2HZ   LYS  49          2HZ       LYS  49  -8.698   4.726 -11.065
  363   3HZ   LYS  49          3HZ       LYS  49  -8.689   4.963 -12.695
  364    H    ASP  50           HN       ASP  50 -12.945   4.600  -6.805
  365    HA   ASP  50           HA       ASP  50 -12.019   7.217  -7.309
  366   1HB   ASP  50          2HB       ASP  50 -14.381   6.529  -7.298
  367   2HB   ASP  50          1HB       ASP  50 -14.340   6.233  -5.571
  368    H    LYS  51           HN       LYS  51 -12.647   5.626  -4.247
  369    HA   LYS  51           HA       LYS  51 -11.845   7.875  -2.591
  370   1HB   LYS  51          2HB       LYS  51 -12.460   4.980  -1.888
  371   2HB   LYS  51          1HB       LYS  51 -12.425   6.345  -0.770
  372   1HG   LYS  51          1HG       LYS  51 -14.411   7.317  -1.649
  373   2HG   LYS  51          2HG       LYS  51 -14.383   6.321  -3.094
  374   1HD   LYS  51          2HD       LYS  51 -16.084   5.428  -1.685
  375   2HD   LYS  51          1HD       LYS  51 -14.757   4.270  -1.760
  376   1HE   LYS  51          1HE       LYS  51 -15.629   4.398   0.504
  377   2HE   LYS  51          2HE       LYS  51 -13.983   5.041   0.503
  378   1HZ   LYS  51          1HZ       LYS  51 -15.644   6.325   1.745
  379   2HZ   LYS  51          2HZ       LYS  51 -14.887   7.226   0.576
  380   3HZ   LYS  51          3HZ       LYS  51 -16.426   6.669   0.350
  381    H    LEU  52           H        LEU  52 -10.208   5.050  -3.895
  382    HA   LEU  52           HA       LEU  52  -7.841   5.587  -2.143
  383   1HB   LEU  52          2HB       LEU  52  -9.417   3.864  -1.218
  384   2HB   LEU  52          1HB       LEU  52  -9.248   2.958  -2.696
  385    HG   LEU  52           HG       LEU  52  -6.745   2.762  -2.129
  386   1HD1  LEU  52          1HD1      LEU  52  -7.814   3.760   0.556
  387   2HD1  LEU  52          2HD1      LEU  52  -6.222   3.048   0.310
  388   3HD1  LEU  52          3HD1      LEU  52  -6.626   4.597  -0.455
  389   1HD2  LEU  52          1HD2      LEU  52  -8.854   1.568  -0.275
  390   2HD2  LEU  52          2HD2      LEU  52  -7.212   0.937  -0.494
  391   3HD2  LEU  52          3HD2      LEU  52  -8.349   0.923  -1.849
  392    H    LYS  53           HN       LYS  53  -6.120   5.953  -3.478
  393    HA   LYS  53           HA       LYS  53  -5.931   4.654  -6.129
  394   1HB   LYS  53          2HB       LYS  53  -4.779   6.976  -4.782
  395   2HB   LYS  53          1HB       LYS  53  -3.484   5.923  -5.350
  396   1HG   LYS  53          1HG       LYS  53  -5.755   6.872  -7.117
  397   2HG   LYS  53          2HG       LYS  53  -4.175   7.663  -6.984
  398   1HD   LYS  53          2HD       LYS  53  -3.041   5.525  -7.650
  399   2HD   LYS  53          1HD       LYS  53  -4.618   4.778  -7.936
  400   1HE   LYS  53          1HE       LYS  53  -3.527   7.242  -9.371
  401   2HE   LYS  53          2HE       LYS  53  -3.604   5.598 -10.024
  402   1HZ   LYS  53          1HZ       LYS  53  -5.987   5.691  -9.814
  403   2HZ   LYS  53          2HZ       LYS  53  -5.912   7.235  -9.242
  404   3HZ   LYS  53          3HZ       LYS  53  -5.426   6.903 -10.779
  405    H    CYS  54           H        CYS  54  -3.694   3.367  -6.433
  406    HA   CYS  54           HA       CYS  54  -2.949   2.063  -3.901
  407   1HB   CYS  54          1HB       CYS  54  -4.821   0.795  -4.515
  408   2HB   CYS  54          2HB       CYS  54  -4.242   0.574  -6.206
  409    HG   CYS  54           HG       CYS  54  -3.969  -1.636  -4.733
  410    H    VAL  55           H        VAL  55  -0.952   1.194  -3.868
  411    HA   VAL  55           HA       VAL  55   0.591   1.128  -6.341
  412    HB   VAL  55           HB       VAL  55   1.923   2.859  -4.336
  413   1HG1  VAL  55          1HG1      VAL  55   0.778   4.936  -4.778
  414   2HG1  VAL  55          2HG1      VAL  55  -0.436   4.154  -5.777
  415   3HG1  VAL  55          3HG1      VAL  55  -0.356   3.820  -4.030
  416   1HG2  VAL  55          1HG2      VAL  55   2.752   2.432  -6.644
  417   2HG2  VAL  55          2HG2      VAL  55   1.293   3.204  -7.302
  418   3HG2  VAL  55          3HG2      VAL  55   2.443   4.155  -6.351
  419    H    LYS  56           HN       LYS  56   2.716   0.325  -6.046
  420    HA   LYS  56           HA       LYS  56   3.083  -1.300  -3.574
  421   1HB   LYS  56          2HB       LYS  56   3.651  -1.928  -6.486
  422   2HB   LYS  56          1HB       LYS  56   3.942  -3.000  -5.099
  423   1HG   LYS  56          1HG       LYS  56   1.510  -2.810  -4.497
  424   2HG   LYS  56          2HG       LYS  56   1.228  -1.988  -6.037
  425   1HD   LYS  56          2HD       LYS  56   2.536  -4.723  -5.787
  426   2HD   LYS  56          1HD       LYS  56   0.789  -4.471  -5.979
  427   1HE   LYS  56          2HE       LYS  56   1.226  -3.183  -8.105
  428   2HE   LYS  56          1HE       LYS  56   2.946  -3.560  -7.951
  429   1HZ   LYS  56          1HZ       LYS  56   0.776  -5.518  -8.226
  430   2HZ   LYS  56          2HZ       LYS  56   1.835  -5.069  -9.404
  431   3HZ   LYS  56          3HZ       LYS  56   2.378  -5.883  -8.077
  432    H    LEU  57           H        LEU  57   4.766  -0.602  -2.455
  433    HA   LEU  57           HA       LEU  57   6.877   1.020  -3.816
  434   1HB   LEU  57          1HB       LEU  57   5.875   1.955  -1.753
  435   2HB   LEU  57          2HB       LEU  57   6.487   0.556  -0.860
  436    HG   LEU  57           HG       LEU  57   8.810   1.450  -2.117
  437   1HD1  LEU  57          1HD2      LEU  57   9.298   2.556   0.064
  438   2HD1  LEU  57          2HD2      LEU  57   7.589   2.356   0.484
  439   3HD1  LEU  57          3HD2      LEU  57   8.627   0.920   0.213
  440   1HD2  LEU  57          1HD1      LEU  57   8.898   3.882  -1.901
  441   2HD2  LEU  57          2HD1      LEU  57   7.672   3.430  -3.094
  442   3HD2  LEU  57          3HD1      LEU  57   7.182   3.933  -1.463
  443    H    ASN  58           H        ASN  58   8.708   0.116  -4.465
  444    HA   ASN  58           HA       ASN  58   9.342  -2.625  -3.626
  445   1HB   ASN  58          1HB       ASN  58   9.816  -1.800  -5.924
  446   2HB   ASN  58          2HB       ASN  58  11.037  -0.707  -5.259
  447   1HD2  ASN  58          2HD2      ASN  58  10.636  -3.760  -6.620
  448   2HD2  ASN  58          1HD2      ASN  58  12.096  -4.500  -5.986
  449    H    THR  59           H        THR  59  10.002  -2.964  -1.682
  450    HA   THR  59           HA       THR  59  11.087  -1.009   0.112
  451    HB   THR  59           HB       THR  59  11.066  -4.046   0.366
  452    HG1  THR  59           HG1      THR  59   9.012  -3.411  -0.109
  453   1HG2  THR  59          1HG2      THR  59  12.331  -2.854   2.161
  454   2HG2  THR  59          2HG2      THR  59  10.840  -3.587   2.775
  455   3HG2  THR  59          3HG2      THR  59  10.900  -1.844   2.463
  456    H    ASP  60           HN       ASP  60  12.502  -3.447  -1.997
  457    HA   ASP  60           HA       ASP  60  15.096  -3.646  -0.775
  458   1HB   ASP  60          1HB       ASP  60  13.770  -5.167  -2.482
  459   2HB   ASP  60          2HB       ASP  60  14.480  -4.126  -3.712
  460    H    GLU  61           HN       GLU  61  13.612  -1.753  -3.322
  461    HA   GLU  61           HA       GLU  61  15.962  -0.131  -3.930
  462   1HB   GLU  61          2HB       GLU  61  14.001  -0.923  -5.498
  463   2HB   GLU  61          1HB       GLU  61  13.093   0.405  -4.759
  464   1HG   GLU  61          2HG       GLU  61  14.000   1.265  -6.772
  465   2HG   GLU  61          1HG       GLU  61  15.031   1.942  -5.510
  466    H    SER  62           H        SER  62  13.239   0.007  -1.715
  467    HA   SER  62           HA       SER  62  13.809   2.842  -1.032
  468   1HB   SER  62          1HB       SER  62  11.227   1.312  -0.624
  469   2HB   SER  62          2HB       SER  62  11.533   3.042  -0.479
  470    HG   SER  62           HG       SER  62  11.414   1.384  -2.748
  471    HA   PRO  63           HA       PRO  63  14.456   0.088   2.797
  472   1HB   PRO  63          1HB       PRO  63  17.127   0.600   3.213
  473   2HB   PRO  63          2HB       PRO  63  16.513  -0.777   2.246
  474   1HG   PRO  63          1HG       PRO  63  17.513   1.902   1.259
  475   2HG   PRO  63          2HG       PRO  63  17.898   0.278   0.616
  476   1HD   PRO  63          1HD       PRO  63  16.010   1.867  -0.527
  477   2HD   PRO  63          2HD       PRO  63  15.734   0.102  -0.417
  478    H    ASN  64           H        ASN  64  15.388   3.235   1.619
  479    HA   ASN  64           HA       ASN  64  15.905   4.682   4.007
  480   1HB   ASN  64          2HB       ASN  64  14.565   5.545   1.418
  481   2HB   ASN  64          1HB       ASN  64  14.997   6.631   2.723
  482   1HD2  ASN  64          1HD2      ASN  64  16.001   5.396  -0.240
  483   2HD2  ASN  64          2HD2      ASN  64  17.722   5.693  -0.069
  484    H    VAL  65           H        VAL  65  12.845   4.998   2.207
  485    HA   VAL  65           HA       VAL  65  11.334   6.054   4.303
  486    HB   VAL  65           HB       VAL  65  10.675   4.504   1.766
  487   1HG1  VAL  65          1HG2      VAL  65   8.373   5.384   1.976
  488   2HG1  VAL  65          2HG2      VAL  65   8.761   4.199   3.227
  489   3HG1  VAL  65          3HG2      VAL  65   8.768   5.933   3.630
  490   1HG2  VAL  65          1HG1      VAL  65  10.442   7.456   2.533
  491   2HG2  VAL  65          2HG1      VAL  65  10.154   6.753   0.925
  492   3HG2  VAL  65          3HG1      VAL  65  11.787   6.781   1.611
  493    H    ALA  66           H        ALA  66  11.764   2.711   3.305
  494    HA   ALA  66           HA       ALA  66   9.917   1.474   5.084
  495   1HB   ALA  66          1HB       ALA  66  12.581   0.367   4.105
  496   2HB   ALA  66          2HB       ALA  66  11.216  -0.576   4.732
  497   3HB   ALA  66          3HB       ALA  66  11.046   0.325   3.207
  498    H    SER  67           H        SER  67  13.401   2.249   5.641
  499    HA   SER  67           HA       SER  67  13.376   1.186   8.333
  500   1HB   SER  67          1HB       SER  67  15.581   2.244   8.531
  501   2HB   SER  67          2HB       SER  67  15.448   1.274   7.054
  502    HG   SER  67           HG       SER  67  15.047   3.246   5.916
  503    H    GLU  68           HN       GLU  68  12.990   4.422   6.917
  504    HA   GLU  68           HA       GLU  68  12.855   5.937   9.308
  505   1HB   GLU  68          2HB       GLU  68  11.398   6.272   6.655
  506   2HB   GLU  68          1HB       GLU  68  11.339   7.461   7.953
  507   1HG   GLU  68          2HG       GLU  68  13.704   7.877   7.837
  508   2HG   GLU  68          1HG       GLU  68  13.981   6.506   6.763
  509    H    TYR  69           H        TYR  69  10.263   4.127   7.602
  510    HA   TYR  69           HA       TYR  69   8.294   4.714   9.682
  511   1HB   TYR  69          2HB       TYR  69   8.431   2.882   7.266
  512   2HB   TYR  69          1HB       TYR  69   7.141   2.694   8.432
  513    HD1  TYR  69           HD1      TYR  69   7.833   4.204   5.394
  514    HD2  TYR  69           HD2      TYR  69   5.949   5.009   9.181
  515    HE1  TYR  69           HE1      TYR  69   6.609   6.110   4.384
  516    HE2  TYR  69           HE2      TYR  69   4.766   6.946   8.177
  517    HH   TYR  69           HH       TYR  69   5.406   8.036   4.850
  518    H    GLY  70           H        GLY  70  10.586   2.090   9.036
  519   1HA   GLY  70          2HA       GLY  70  11.593   0.772  10.696
  520   2HA   GLY  70          1HA       GLY  70  10.321   1.191  11.851
  521    H    ILE  71           H        ILE  71  10.233  -0.115   8.509
  522    HA   ILE  71           HA       ILE  71   8.161  -2.026   9.199
  523    HB   ILE  71           HB       ILE  71   9.883  -1.650   6.720
  524   1HG1  ILE  71          2HG1      ILE  71   7.023  -0.844   7.489
  525   2HG1  ILE  71          1HG1      ILE  71   8.403   0.246   7.289
  526   1HG2  ILE  71          1HG2      ILE  71   9.033  -3.997   6.847
  527   2HG2  ILE  71          2HG2      ILE  71   8.257  -3.091   5.562
  528   3HG2  ILE  71          3HG2      ILE  71   7.389  -3.368   7.084
  529   1HD1  ILE  71          1HD1      ILE  71   6.954  -1.295   5.133
  530   2HD1  ILE  71          2HD1      ILE  71   8.578  -0.590   4.899
  531   3HD1  ILE  71          3HD1      ILE  71   7.201   0.448   5.325
  532    H    ARG  72           HN       ARG  72   8.551  -3.773  10.419
  533    HA   ARG  72           HA       ARG  72  11.203  -4.889  10.659
  534   1HB   ARG  72          2HB       ARG  72  10.332  -6.284  12.282
  535   2HB   ARG  72          1HB       ARG  72   9.553  -4.732  12.543
  536   1HG   ARG  72          2HG       ARG  72   8.079  -6.912  10.994
  537   2HG   ARG  72          1HG       ARG  72   8.323  -7.073  12.705
  538   1HD   ARG  72          1HD       ARG  72   6.144  -6.149  12.355
  539   2HD   ARG  72          2HD       ARG  72   7.177  -5.027  13.231
  540    HE   ARG  72           HE       ARG  72   6.745  -3.484  11.652
  541   1HH1  ARG  72          1HH1      ARG  72   6.290  -6.638  10.083
  542   2HH1  ARG  72          2HH1      ARG  72   5.900  -5.923   8.528
  543   1HH2  ARG  72          1HH2      ARG  72   5.884  -2.614   9.711
  544   2HH2  ARG  72          2HH2      ARG  72   5.470  -3.695   8.395
  545    H    SER  73           H        SER  73   8.339  -5.680   8.720
  546    HA   SER  73           HA       SER  73   9.867  -7.575   7.154
  547   1HB   SER  73          1HB       SER  73   7.366  -8.620   8.559
  548   2HB   SER  73          2HB       SER  73   8.483  -9.519   7.527
  549    HG   SER  73           HG       SER  73  10.049  -8.696   9.344
  550    H    ILE  74           H        ILE  74   8.519  -8.296   5.252
  551    HA   ILE  74           HA       ILE  74   6.285  -6.461   4.677
  552    HB   ILE  74           HB       ILE  74   7.071  -6.548   2.281
  553   1HG1  ILE  74          1HG1      ILE  74   9.737  -7.379   3.454
  554   2HG1  ILE  74          2HG1      ILE  74   8.667  -8.410   2.483
  555   1HG2  ILE  74          1HG2      ILE  74   8.518  -4.612   2.596
  556   2HG2  ILE  74          2HG2      ILE  74   8.923  -5.126   4.247
  557   3HG2  ILE  74          3HG2      ILE  74   7.279  -4.581   3.844
  558   1HD1  ILE  74          1HD1      ILE  74   8.734  -6.585   0.689
  559   2HD1  ILE  74          2HD1      ILE  74  10.100  -5.889   1.592
  560   3HD1  ILE  74          3HD1      ILE  74  10.206  -7.520   0.922
  561    HA   PRO  75           HA       PRO  75   4.784  -6.704   2.482
  562   1HB   PRO  75          2HB       PRO  75   2.116  -7.325   2.688
  563   2HB   PRO  75          1HB       PRO  75   3.190  -7.910   1.411
  564   1HG   PRO  75          1HG       PRO  75   2.462  -9.325   4.006
  565   2HG   PRO  75          2HG       PRO  75   2.396 -10.007   2.350
  566   1HD   PRO  75          2HD       PRO  75   4.452 -10.415   4.108
  567   2HD   PRO  75          1HD       PRO  75   4.811 -10.204   2.383
  568    H    THR  76           H        THR  76   3.877  -4.907   3.203
  569    HA   THR  76           HA       THR  76   2.555  -4.675   5.797
  570    HB   THR  76           HB       THR  76   5.169  -3.242   5.168
  571    HG1  THR  76           HG1      THR  76   5.483  -5.103   6.395
  572   1HG2  THR  76          1HG2      THR  76   3.092  -2.602   7.309
  573   2HG2  THR  76          2HG2      THR  76   4.721  -1.900   7.214
  574   3HG2  THR  76          3HG2      THR  76   3.544  -1.547   5.948
  575    H    ILE  77           H        ILE  77   0.725  -3.646   5.190
  576    HA   ILE  77           HA       ILE  77   0.727  -2.044   2.677
  577    HB   ILE  77           HB       ILE  77  -1.480  -3.521   4.150
  578   1HG1  ILE  77          1HG1      ILE  77  -0.324  -3.956   1.359
  579   2HG1  ILE  77          2HG1      ILE  77   0.162  -4.892   2.776
  580   1HG2  ILE  77          1HG2      ILE  77  -1.537  -1.737   1.680
  581   2HG2  ILE  77          2HG2      ILE  77  -2.895  -2.762   2.198
  582   3HG2  ILE  77          3HG2      ILE  77  -2.371  -1.430   3.214
  583   1HD1  ILE  77          1HD1      ILE  77  -2.613  -4.854   1.542
  584   2HD1  ILE  77          2HD1      ILE  77  -2.201  -5.631   3.091
  585   3HD1  ILE  77          3HD1      ILE  77  -1.445  -6.180   1.583
  586    H    MET  78           H        MET  78   0.674   0.103   2.983
  587    HA   MET  78           HA       MET  78  -0.335   1.216   5.573
  588   1HB   MET  78          2HB       MET  78   1.380   2.553   3.484
  589   2HB   MET  78          1HB       MET  78   0.918   3.190   5.061
  590   1HG   MET  78          2HG       MET  78   2.119   1.160   6.067
  591   2HG   MET  78          1HG       MET  78   2.808   0.901   4.471
  592   1HE   MET  78          1HE       MET  78   4.535   1.392   7.319
  593   2HE   MET  78          2HE       MET  78   4.946   0.771   5.701
  594   3HE   MET  78          3HE       MET  78   5.858   2.133   6.388
  595    H    VAL  79           H        VAL  79  -1.572   3.157   5.405
  596    HA   VAL  79           HA       VAL  79  -2.974   3.604   2.802
  597    HB   VAL  79           HB       VAL  79  -4.205   3.549   5.574
  598   1HG1  VAL  79          1HG1      VAL  79  -4.721   1.836   3.102
  599   2HG1  VAL  79          2HG1      VAL  79  -5.662   1.778   4.608
  600   3HG1  VAL  79          3HG1      VAL  79  -3.961   1.292   4.613
  601   1HG2  VAL  79          1HG2      VAL  79  -5.145   5.424   4.263
  602   2HG2  VAL  79          2HG2      VAL  79  -6.328   4.126   4.399
  603   3HG2  VAL  79          3HG2      VAL  79  -5.418   4.345   2.887
  604    H    PHE  80           H        PHE  80  -2.911   5.701   2.227
  605    HA   PHE  80           HA       PHE  80  -2.027   7.788   4.169
  606   1HB   PHE  80          1HB       PHE  80  -1.390   7.437   1.222
  607   2HB   PHE  80          2HB       PHE  80  -1.112   8.923   2.118
  608    HD1  PHE  80           HD1      PHE  80  -0.108   5.327   1.894
  609    HD2  PHE  80           HD2      PHE  80   0.766   9.200   3.578
  610    HE1  PHE  80           HE1      PHE  80   2.104   4.505   2.670
  611    HE2  PHE  80           HE2      PHE  80   2.931   8.364   4.394
  612    HZ   PHE  80           HZ       PHE  80   3.559   5.960   4.041
  613    H    LYS  81           HN       LYS  81  -3.080   9.751   4.036
  614    HA   LYS  81           HA       LYS  81  -5.336  10.059   2.133
  615   1HB   LYS  81          1HB       LYS  81  -7.015  10.262   3.731
  616   2HB   LYS  81          2HB       LYS  81  -6.159   8.783   4.134
  617   1HG   LYS  81          2HG       LYS  81  -6.339  11.383   5.626
  618   2HG   LYS  81          1HG       LYS  81  -6.629   9.741   6.190
  619   1HD   LYS  81          1HD       LYS  81  -4.151   9.299   6.013
  620   2HD   LYS  81          2HD       LYS  81  -3.913  11.013   5.618
  621   1HE   LYS  81          1HE       LYS  81  -5.125   9.958   8.208
  622   2HE   LYS  81          2HE       LYS  81  -3.500  10.627   7.997
  623   1HZ   LYS  81          1HZ       LYS  81  -4.490  12.694   7.335
  624   2HZ   LYS  81          2HZ       LYS  81  -6.001  12.093   7.600
  625   3HZ   LYS  81          3HZ       LYS  81  -4.951  12.258   8.857
  626    H    GLY  82           H        GLY  82  -3.117  11.349   1.762
  627   1HA   GLY  82          2HA       GLY  82  -2.777  13.652   1.205
  628   2HA   GLY  82          1HA       GLY  82  -3.799  14.112   2.584
  629    H    GLY  83           H        GLY  83  -0.559  12.993   1.653
  630   1HA   GLY  83          2HA       GLY  83   1.447  13.230   2.690
  631   2HA   GLY  83          1HA       GLY  83   0.693  14.349   3.819
  632    H    LYS  84           HN       LYS  84  -0.817  13.116   5.424
  633    HA   LYS  84           HA       LYS  84   0.957  11.331   6.940
  634   1HB   LYS  84          1HB       LYS  84  -1.818  12.392   7.600
  635   2HB   LYS  84          2HB       LYS  84  -0.684  11.657   8.738
  636   1HG   LYS  84          2HG       LYS  84  -0.299  14.312   7.265
  637   2HG   LYS  84          1HG       LYS  84  -0.740  14.090   8.961
  638   1HD   LYS  84          1HD       LYS  84   1.442  12.893   9.343
  639   2HD   LYS  84          2HD       LYS  84   1.901  13.269   7.666
  640   1HE   LYS  84          1HE       LYS  84   1.666  15.695   8.139
  641   2HE   LYS  84          2HE       LYS  84   1.232  15.325   9.820
  642   1HZ   LYS  84          1HZ       LYS  84   3.376  14.311  10.083
  643   2HZ   LYS  84          2HZ       LYS  84   3.779  14.656   8.522
  644   3HZ   LYS  84          3HZ       LYS  84   3.529  15.878   9.598
  645    H    LYS  85           HN       LYS  85   0.059   9.460   8.067
  646    HA   LYS  85           HA       LYS  85  -1.240   7.647   6.151
  647   1HB   LYS  85          1HB       LYS  85   0.128   7.131   8.817
  648   2HB   LYS  85          2HB       LYS  85  -0.597   5.902   7.759
  649   1HG   LYS  85          2HG       LYS  85   0.928   6.816   5.909
  650   2HG   LYS  85          1HG       LYS  85   1.853   7.607   7.199
  651   1HD   LYS  85          2HD       LYS  85   1.280   4.636   6.788
  652   2HD   LYS  85          1HD       LYS  85   2.847   5.446   6.673
  653   1HE   LYS  85          2HE       LYS  85   2.716   5.937   9.140
  654   2HE   LYS  85          1HE       LYS  85   1.177   5.049   9.204
  655   1HZ   LYS  85          1HZ       LYS  85   2.289   3.110   8.464
  656   2HZ   LYS  85          2HZ       LYS  85   3.734   3.899   8.357
  657   3HZ   LYS  85          3HZ       LYS  85   3.020   3.682   9.830
  658    H    CYS  86           H        CYS  86  -2.979   6.375   6.702
  659    HA   CYS  86           HA       CYS  86  -4.890   7.486   8.710
  660   1HB   CYS  86          2HB       CYS  86  -5.645   6.971   6.341
  661   2HB   CYS  86          1HB       CYS  86  -5.337   5.263   6.666
  662    HG   CYS  86           HG       CYS  86  -6.754   5.276   8.966
  663    H    GLU  87           HN       GLU  87  -3.455   4.422   7.580
  664    HA   GLU  87           HA       GLU  87  -2.897   3.454  10.242
  665   1HB   GLU  87          1HB       GLU  87  -4.338   1.496  10.152
  666   2HB   GLU  87          2HB       GLU  87  -5.310   2.948  10.112
  667   1HG   GLU  87          1HG       GLU  87  -6.284   2.348   8.184
  668   2HG   GLU  87          2HG       GLU  87  -4.778   2.306   7.351
  669    H    THR  88           H        THR  88  -2.274   0.913   9.878
  670    HA   THR  88           HA       THR  88  -1.117   0.292   7.330
  671    HB   THR  88           HB       THR  88   0.593   1.052   9.750
  672    HG1  THR  88           HG1      THR  88  -0.085   2.437   7.725
  673   1HG2  THR  88          1HG2      THR  88   1.402  -0.575   7.304
  674   2HG2  THR  88          2HG2      THR  88   1.552  -1.034   9.012
  675   3HG2  THR  88          3HG2      THR  88   2.561   0.262   8.365
  676    H    ILE  89           H        ILE  89  -0.732  -1.961   7.208
  677    HA   ILE  89           HA       ILE  89  -1.069  -3.561   9.693
  678    HB   ILE  89           HB       ILE  89  -2.613  -5.079   8.510
  679   1HG1  ILE  89          1HG1      ILE  89  -2.578  -2.985   6.281
  680   2HG1  ILE  89          2HG1      ILE  89  -2.037  -4.672   6.184
  681   1HG2  ILE  89          1HG2      ILE  89  -3.394  -3.100   9.932
  682   2HG2  ILE  89          2HG2      ILE  89  -4.563  -3.825   8.832
  683   3HG2  ILE  89          3HG2      ILE  89  -3.784  -2.283   8.394
  684   1HD1  ILE  89          1HD1      ILE  89  -4.888  -3.680   6.530
  685   2HD1  ILE  89          2HD1      ILE  89  -4.181  -4.514   5.143
  686   3HD1  ILE  89          3HD1      ILE  89  -4.401  -5.389   6.674
  687    H    ILE  90           H        ILE  90  -0.224  -5.706   9.484
  688    HA   ILE  90           HA       ILE  90   1.993  -5.951   7.543
  689    HB   ILE  90           HB       ILE  90   1.040  -7.812   9.760
  690   1HG1  ILE  90          2HG1      ILE  90   3.308  -5.761   9.652
  691   2HG1  ILE  90          1HG1      ILE  90   1.852  -5.659  10.649
  692   1HG2  ILE  90          1HG2      ILE  90   3.630  -7.809   8.135
  693   2HG2  ILE  90          2HG2      ILE  90   3.191  -8.961   9.414
  694   3HG2  ILE  90          3HG2      ILE  90   2.293  -8.956   7.909
  695   1HD1  ILE  90          1HD1      ILE  90   4.118  -7.648  10.982
  696   2HD1  ILE  90          2HD1      ILE  90   2.556  -7.760  11.833
  697   3HD1  ILE  90          3HD1      ILE  90   3.611  -6.354  12.075
  698    H    GLY  91           H        GLY  91   1.848  -7.492   5.811
  699   1HA   GLY  91          2HA       GLY  91  -0.924  -8.144   5.001
  700   2HA   GLY  91          1HA       GLY  91   0.520  -8.377   4.044
  701    H    ALA  92           H        ALA  92   0.469 -10.618   3.593
  702    HA   ALA  92           HA       ALA  92   0.204 -12.862   3.865
  703   1HB   ALA  92          1HB       ALA  92   2.383 -12.436   4.987
  704   2HB   ALA  92          2HB       ALA  92   1.528 -13.833   5.665
  705   3HB   ALA  92          3HB       ALA  92   1.546 -12.297   6.549
  706    H    VAL  93           H        VAL  93  -2.175 -11.539   4.380
  707    HA   VAL  93           HA       VAL  93  -3.486 -13.382   6.249
  708    HB   VAL  93           HB       VAL  93  -4.979 -11.511   7.001
  709   1HG1  VAL  93          1HG2      VAL  93  -4.377  -9.823   5.270
  710   2HG1  VAL  93          2HG2      VAL  93  -4.204  -9.205   6.918
  711   3HG1  VAL  93          3HG2      VAL  93  -2.766  -9.668   5.996
  712   1HG2  VAL  93          1HG1      VAL  93  -2.076 -11.257   7.875
  713   2HG2  VAL  93          2HG1      VAL  93  -3.507 -10.732   8.777
  714   3HG2  VAL  93          3HG1      VAL  93  -3.240 -12.457   8.468
  715    HA   PRO  94           HA       PRO  94  -6.017 -13.806   2.682
  716   1HB   PRO  94          2HB       PRO  94  -8.443 -13.704   4.456
  717   2HB   PRO  94          1HB       PRO  94  -8.047 -14.901   3.200
  718   1HG   PRO  94          1HG       PRO  94  -7.675 -15.513   5.833
  719   2HG   PRO  94          2HG       PRO  94  -6.443 -15.972   4.620
  720   1HD   PRO  94          1HD       PRO  94  -6.385 -13.635   6.535
  721   2HD   PRO  94          2HD       PRO  94  -5.096 -14.768   6.064
  722    H    LYS  95           HN       LYS  95  -7.288 -12.653   1.252
  723    HA   LYS  95           HA       LYS  95  -7.380  -9.925   1.256
  724   1HB   LYS  95          1HB       LYS  95  -8.958 -10.120  -0.564
  725   2HB   LYS  95          2HB       LYS  95  -7.648 -11.291  -0.724
  726   1HG   LYS  95          2HG       LYS  95  -9.244 -12.721  -1.293
  727   2HG   LYS  95          1HG       LYS  95  -9.509 -12.904   0.419
  728   1HD   LYS  95          2HD       LYS  95 -11.621 -12.609  -0.759
  729   2HD   LYS  95          1HD       LYS  95 -11.383 -11.216   0.289
  730   1HE   LYS  95          2HE       LYS  95 -12.305 -10.676  -1.970
  731   2HE   LYS  95          1HE       LYS  95 -10.840  -9.782  -1.594
  732   1HZ   LYS  95          1HZ       LYS  95 -10.991 -12.196  -3.263
  733   2HZ   LYS  95          2HZ       LYS  95  -9.615 -11.355  -2.918
  734   3HZ   LYS  95          3HZ       LYS  95 -10.805 -10.652  -3.809
  735    H    ALA  96           H        ALA  96  -9.978 -12.113   2.254
  736    HA   ALA  96           HA       ALA  96 -12.031 -10.326   2.829
  737   1HB   ALA  96          1HB       ALA  96 -11.193 -12.758   4.476
  738   2HB   ALA  96          2HB       ALA  96 -12.784 -11.969   4.518
  739   3HB   ALA  96          3HB       ALA  96 -12.237 -12.779   3.036
  740    H    THR  97           H        THR  97  -9.178 -11.081   4.894
  741    HA   THR  97           HA       THR  97  -9.999  -9.573   7.165
  742    HB   THR  97           HB       THR  97  -7.071  -9.870   6.496
  743    HG1  THR  97           HG1      THR  97  -7.590 -11.748   5.695
  744   1HG2  THR  97          1HG2      THR  97  -8.756 -10.707   8.900
  745   2HG2  THR  97          2HG2      THR  97  -6.985 -10.703   8.796
  746   3HG2  THR  97          3HG2      THR  97  -7.874  -9.166   8.754
  747    H    ILE  98           H        ILE  98  -7.959  -8.893   4.331
  748    HA   ILE  98           HA       ILE  98  -7.163  -6.239   5.040
  749    HB   ILE  98           HB       ILE  98  -7.375  -7.637   2.312
  750   1HG1  ILE  98          1HG1      ILE  98  -5.044  -7.287   4.244
  751   2HG1  ILE  98          2HG1      ILE  98  -5.917  -8.788   3.905
  752   1HG2  ILE  98          1HG2      ILE  98  -7.289  -5.101   2.159
  753   2HG2  ILE  98          2HG2      ILE  98  -5.828  -5.125   3.158
  754   3HG2  ILE  98          3HG2      ILE  98  -5.826  -5.854   1.541
  755   1HD1  ILE  98          1HD1      ILE  98  -3.899  -8.874   2.669
  756   2HD1  ILE  98          2HD1      ILE  98  -4.155  -7.275   1.959
  757   3HD1  ILE  98          3HD1      ILE  98  -5.216  -8.631   1.506
  758    H    VAL  99           H        VAL  99  -9.826  -7.427   2.903
  759    HA   VAL  99           HA       VAL  99 -10.978  -4.943   2.264
  760    HB   VAL  99           HB       VAL  99 -12.231  -7.705   2.634
  761   1HG1  VAL  99          1HG2      VAL  99 -14.117  -6.814   1.247
  762   2HG1  VAL  99          2HG2      VAL  99 -14.052  -6.075   2.846
  763   3HG1  VAL  99          3HG2      VAL  99 -13.451  -5.180   1.432
  764   1HG2  VAL  99          1HG1      VAL  99 -10.557  -7.495   0.788
  765   2HG2  VAL  99          2HG1      VAL  99 -12.193  -7.746   0.172
  766   3HG2  VAL  99          3HG1      VAL  99 -11.477  -6.123   0.138
  767    H    GLN 100           H        GLN 100 -11.964  -7.191   4.938
  768    HA   GLN 100           HA       GLN 100 -13.872  -5.517   6.143
  769   1HB   GLN 100          2HB       GLN 100 -11.958  -7.590   7.275
  770   2HB   GLN 100          1HB       GLN 100 -13.168  -6.776   8.280
  771   1HG   GLN 100          1HG       GLN 100 -14.988  -7.543   6.957
  772   2HG   GLN 100          2HG       GLN 100 -13.937  -8.213   5.706
  773   1HE2  GLN 100          1HE2      GLN 100 -12.293  -9.831   6.531
  774   2HE2  GLN 100          2HE2      GLN 100 -12.876 -11.044   7.687
  775    H    THR 101           H        THR 101 -10.338  -5.582   6.647
  776    HA   THR 101           HA       THR 101 -10.301  -3.565   8.671
  777    HB   THR 101           HB       THR 101  -8.159  -4.246   6.599
  778    HG1  THR 101           HG1      THR 101  -8.760  -6.019   7.854
  779   1HG2  THR 101          1HG2      THR 101  -6.628  -3.391   8.343
  780   2HG2  THR 101          2HG2      THR 101  -8.014  -2.804   9.273
  781   3HG2  THR 101          3HG2      THR 101  -7.643  -2.124   7.658
  782    H    VAL 102           H        VAL 102  -9.724  -3.211   5.106
  783    HA   VAL 102           HA       VAL 102  -9.437  -0.411   5.073
  784    HB   VAL 102           HB       VAL 102 -10.509  -2.293   2.973
  785   1HG1  VAL 102          1HG1      VAL 102  -8.263  -2.287   2.074
  786   2HG1  VAL 102          2HG1      VAL 102  -7.746  -1.046   3.241
  787   3HG1  VAL 102          3HG1      VAL 102  -8.116  -2.682   3.791
  788   1HG2  VAL 102          1HG2      VAL 102  -9.562   0.596   2.704
  789   2HG2  VAL 102          2HG2      VAL 102  -9.712  -0.514   1.334
  790   3HG2  VAL 102          3HG2      VAL 102 -11.152  -0.073   2.252
  791    H    GLU 103           HN       GLU 103 -12.402  -2.345   4.720
  792    HA   GLU 103           HA       GLU 103 -14.314  -0.513   4.010
  793   1HB   GLU 103          1HB       GLU 103 -14.399  -2.774   6.047
  794   2HB   GLU 103          2HB       GLU 103 -15.839  -1.937   5.503
  795   1HG   GLU 103          2HG       GLU 103 -14.047  -2.965   3.324
  796   2HG   GLU 103          1HG       GLU 103 -14.845  -4.187   4.326
  797    H    LYS 104           HN       LYS 104 -12.949  -0.901   7.251
  798    HA   LYS 104           HA       LYS 104 -14.744   0.775   8.714
  799   1HB   LYS 104          2HB       LYS 104 -13.111  -0.714   9.774
  800   2HB   LYS 104          1HB       LYS 104 -11.773   0.184   9.023
  801   1HG   LYS 104          2HG       LYS 104 -12.527   2.242  10.336
  802   2HG   LYS 104          1HG       LYS 104 -13.588   1.156  11.237
  803   1HD   LYS 104          1HD       LYS 104 -10.547   1.121  10.974
  804   2HD   LYS 104          2HD       LYS 104 -11.484   1.566  12.392
  805   1HE   LYS 104          1HE       LYS 104 -10.778  -0.580  12.949
  806   2HE   LYS 104          2HE       LYS 104 -12.390  -0.910  12.297
  807   1HZ   LYS 104          1HZ       LYS 104 -10.720  -2.402  11.454
  808   2HZ   LYS 104          2HZ       LYS 104 -11.294  -1.490  10.211
  809   3HZ   LYS 104          3HZ       LYS 104  -9.824  -1.152  10.865
  810    H    TYR 105           H        TYR 105 -11.752   1.424   6.935
  811    HA   TYR 105           HA       TYR 105 -11.595   4.231   7.779
  812   1HB   TYR 105          1HB       TYR 105  -9.897   2.512   5.912
  813   2HB   TYR 105          2HB       TYR 105  -9.453   4.093   6.517
  814    HD1  TYR 105           HD1      TYR 105  -9.339   4.359   9.116
  815    HD2  TYR 105           HD2      TYR 105  -9.300   0.573   7.086
  816    HE1  TYR 105           HE1      TYR 105  -8.045   3.356  11.007
  817    HE2  TYR 105           HE2      TYR 105  -8.244  -0.470   9.063
  818    HH   TYR 105           HH       TYR 105  -6.637   0.156  10.681
  819    H    LEU 106           H        LEU 106 -11.668   2.462   4.689
  820    HA   LEU 106           HA       LEU 106 -12.496   4.888   3.181
  821   1HB   LEU 106          2HB       LEU 106 -11.510   2.110   2.518
  822   2HB   LEU 106          1HB       LEU 106 -12.224   3.124   1.278
  823    HG   LEU 106           HG       LEU 106  -9.689   3.072   1.523
  824   1HD1  LEU 106          1HD2      LEU 106  -9.390   3.440   3.889
  825   2HD1  LEU 106          2HD2      LEU 106  -8.589   4.687   2.930
  826   3HD1  LEU 106          3HD2      LEU 106 -10.105   5.072   3.753
  827   1HD2  LEU 106          1HD1      LEU 106 -10.990   4.656   0.110
  828   2HD2  LEU 106          2HD1      LEU 106  -9.511   5.397   0.743
  829   3HD2  LEU 106          3HD1      LEU 106 -11.081   5.790   1.467
  830    H    ASN 107           H        ASN 107 -14.396   4.675   4.734
  831    HA   ASN 107           HA       ASN 107 -16.395   2.642   3.982
  832   1HB   ASN 107          1HB       ASN 107 -15.893   3.617   6.375
  833   2HB   ASN 107          2HB       ASN 107 -16.849   5.005   5.838
  834   1HD2  ASN 107          1HD2      ASN 107 -16.863   1.424   5.999
  835   2HD2  ASN 107          2HD2      ASN 107 -18.595   1.265   6.329
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  -1.158  -3.372 -11.374
    2   2H    MET   1          2H        MET   1  -0.343  -2.013 -11.023
    3   3H    MET   1          3H        MET   1   0.365  -3.161 -11.992
    4    HA   MET   1           HA       MET   1  -0.363  -1.201 -13.187
    5   1HB   MET   1          1HB       MET   1  -1.591  -2.273 -14.979
    6   2HB   MET   1          2HB       MET   1  -0.204  -3.225 -14.461
    7   1HG   MET   1          1HG       MET   1  -3.103  -3.848 -13.775
    8   2HG   MET   1          2HG       MET   1  -2.163  -4.581 -15.061
    9   1HE   MET   1          1HE       MET   1  -3.789  -5.787 -12.341
   10   2HE   MET   1          2HE       MET   1  -3.308  -6.802 -13.723
   11   3HE   MET   1          3HE       MET   1  -2.791  -7.233 -12.076
   12    H    GLU   2           HN       GLU   2  -3.161  -2.973 -11.693
   13    HA   GLU   2           HA       GLU   2  -4.978  -0.713 -12.127
   14   1HB   GLU   2          2HB       GLU   2  -5.116  -3.088 -10.216
   15   2HB   GLU   2          1HB       GLU   2  -6.413  -1.933 -10.529
   16   1HG   GLU   2          1HG       GLU   2  -6.584  -2.651 -12.853
   17   2HG   GLU   2          2HG       GLU   2  -5.214  -3.753 -12.660
   18    H    ALA   3           H        ALA   3  -3.006  -2.174  -9.589
   19    HA   ALA   3           HA       ALA   3  -3.096   0.262  -7.895
   20   1HB   ALA   3          1HB       ALA   3  -1.731  -2.444  -7.558
   21   2HB   ALA   3          2HB       ALA   3  -3.201  -1.886  -6.723
   22   3HB   ALA   3          3HB       ALA   3  -1.639  -1.106  -6.392
   23    H    GLY   4           H        GLY   4  -1.213   1.616  -7.797
   24   1HA   GLY   4          1HA       GLY   4   0.491   1.486 -10.189
   25   2HA   GLY   4          2HA       GLY   4   0.515   2.714  -8.921
   26    H    ALA   5           H        ALA   5   2.925   2.017  -9.751
   27    HA   ALA   5           HA       ALA   5   4.063   0.246  -7.634
   28   1HB   ALA   5          1HB       ALA   5   5.924  -0.185  -9.187
   29   2HB   ALA   5          2HB       ALA   5   5.089   0.724 -10.465
   30   3HB   ALA   5          3HB       ALA   5   4.390  -0.790  -9.846
   31    H    VAL   6           H        VAL   6   5.533   1.397  -6.337
   32    HA   VAL   6           HA       VAL   6   6.394   4.078  -7.295
   33    HB   VAL   6           HB       VAL   6   6.009   4.833  -4.831
   34   1HG1  VAL   6          1HG1      VAL   6   4.076   3.887  -3.702
   35   2HG1  VAL   6          2HG1      VAL   6   5.329   2.664  -3.913
   36   3HG1  VAL   6          3HG1      VAL   6   3.897   2.639  -4.949
   37   1HG2  VAL   6          1HG2      VAL   6   3.718   4.541  -6.782
   38   2HG2  VAL   6          2HG2      VAL   6   3.741   5.601  -5.350
   39   3HG2  VAL   6          3HG2      VAL   6   4.886   5.873  -6.672
   40    H    ASN   7           H        ASN   7   7.992   5.038  -5.969
   41    HA   ASN   7           HA       ASN   7   9.840   3.324  -4.501
   42   1HB   ASN   7          1HB       ASN   7  10.734   3.131  -6.762
   43   2HB   ASN   7          2HB       ASN   7  10.506   4.868  -7.065
   44   1HD2  ASN   7          2HD2      ASN   7  12.324   2.490  -5.153
   45   2HD2  ASN   7          1HD2      ASN   7  13.718   3.485  -4.830
   46    H    ASP   8           HN       ASP   8  11.541   4.932  -3.661
   47    HA   ASP   8           HA       ASP   8  10.518   6.916  -2.046
   48   1HB   ASP   8          1HB       ASP   8  12.865   5.976  -2.068
   49   2HB   ASP   8          2HB       ASP   8  13.250   7.024  -3.426
   50    H    ASP   9           HN       ASP   9  12.026   7.453  -5.206
   51    HA   ASP   9           HA       ASP   9  11.652  10.194  -5.510
   52   1HB   ASP   9          1HB       ASP   9  11.687   7.917  -7.536
   53   2HB   ASP   9          2HB       ASP   9  11.633   9.621  -7.993
   54    H    THR  10           H        THR  10   9.317   7.616  -6.589
   55    HA   THR  10           HA       THR  10   7.457   9.636  -7.586
   56    HB   THR  10           HB       THR  10   6.111   7.503  -8.028
   57    HG1  THR  10           HG1      THR  10   7.561   5.638  -7.988
   58   1HG2  THR  10          1HG2      THR  10   8.945   7.669  -9.164
   59   2HG2  THR  10          2HG2      THR  10   7.545   8.595  -9.743
   60   3HG2  THR  10          3HG2      THR  10   7.567   6.831  -9.903
   61    H    PHE  11           H        PHE  11   7.838   7.682  -4.722
   62    HA   PHE  11           HA       PHE  11   5.435   7.529  -3.463
   63   1HB   PHE  11          2HB       PHE  11   7.723   6.815  -2.639
   64   2HB   PHE  11          1HB       PHE  11   8.025   8.464  -2.151
   65    HD1  PHE  11           HD1      PHE  11   7.124   9.356  -0.107
   66    HD2  PHE  11           HD2      PHE  11   5.970   5.450  -1.518
   67    HE1  PHE  11           HE1      PHE  11   6.317   8.765   2.164
   68    HE2  PHE  11           HE2      PHE  11   5.078   4.903   0.739
   69    HZ   PHE  11           HZ       PHE  11   5.277   6.559   2.585
   70    H    LYS  12           HN       LYS  12   7.574  10.251  -3.616
   71    HA   LYS  12           HA       LYS  12   6.306  12.187  -2.021
   72   1HB   LYS  12          1HB       LYS  12   7.843  12.405  -4.647
   73   2HB   LYS  12          2HB       LYS  12   7.327  13.784  -3.680
   74   1HG   LYS  12          2HG       LYS  12   8.666  12.942  -1.755
   75   2HG   LYS  12          1HG       LYS  12   9.025  11.447  -2.632
   76   1HD   LYS  12          2HD       LYS  12  10.223  12.822  -4.388
   77   2HD   LYS  12          1HD       LYS  12   9.981  14.241  -3.352
   78   1HE   LYS  12          2HE       LYS  12  12.184  13.400  -2.866
   79   2HE   LYS  12          1HE       LYS  12  11.168  12.956  -1.485
   80   1HZ   LYS  12          1HZ       LYS  12  11.992  11.218  -3.708
   81   2HZ   LYS  12          2HZ       LYS  12  10.957  10.746  -2.524
   82   3HZ   LYS  12          3HZ       LYS  12  12.509  11.129  -2.148
   83    H    ASN  13           H        ASN  13   5.970  11.982  -5.568
   84    HA   ASN  13           HA       ASN  13   3.742  13.798  -5.783
   85   1HB   ASN  13          2HB       ASN  13   5.135  11.765  -7.546
   86   2HB   ASN  13          1HB       ASN  13   3.559  12.348  -8.032
   87   1HD2  ASN  13          2HD2      ASN  13   5.498  14.756  -6.253
   88   2HD2  ASN  13          1HD2      ASN  13   6.021  15.591  -7.699
   89    H    VAL  14           H        VAL  14   3.995  10.322  -5.570
   90    HA   VAL  14           HA       VAL  14   1.148   9.987  -6.298
   91    HB   VAL  14           HB       VAL  14   3.349   7.989  -5.626
   92   1HG1  VAL  14          1HG1      VAL  14   3.817   9.327  -7.695
   93   2HG1  VAL  14          2HG1      VAL  14   3.426   7.652  -8.085
   94   3HG1  VAL  14          3HG1      VAL  14   2.205   8.920  -8.304
   95   1HG2  VAL  14          1HG2      VAL  14   1.875   6.382  -6.863
   96   2HG2  VAL  14          2HG2      VAL  14   0.587   7.600  -6.848
   97   3HG2  VAL  14          3HG2      VAL  14   1.187   6.909  -5.316
   98    H    VAL  15           H        VAL  15   3.096   9.459  -3.359
   99    HA   VAL  15           HA       VAL  15   0.678   8.536  -1.905
  100    HB   VAL  15           HB       VAL  15   3.594   8.448  -1.025
  101   1HG1  VAL  15          1HG1      VAL  15   2.790   6.827   0.578
  102   2HG1  VAL  15          2HG1      VAL  15   1.958   8.362   0.786
  103   3HG1  VAL  15          3HG1      VAL  15   1.123   7.018  -0.022
  104   1HG2  VAL  15          1HG2      VAL  15   1.910   6.317  -2.401
  105   2HG2  VAL  15          2HG2      VAL  15   3.322   7.116  -3.099
  106   3HG2  VAL  15          3HG2      VAL  15   3.524   6.075  -1.696
  107    H    LEU  16           H        LEU  16   3.445  10.864  -1.461
  108    HA   LEU  16           HA       LEU  16   2.167  11.962   0.916
  109   1HB   LEU  16          1HB       LEU  16   4.338  13.247  -0.777
  110   2HB   LEU  16          2HB       LEU  16   3.837  13.702   0.844
  111    HG   LEU  16           HG       LEU  16   5.156  11.066   0.057
  112   1HD1  LEU  16          1HD1      LEU  16   7.061  11.934   1.321
  113   2HD1  LEU  16          2HD1      LEU  16   6.155  13.406   1.738
  114   3HD1  LEU  16          3HD1      LEU  16   6.628  13.101   0.058
  115   1HD2  LEU  16          1HD2      LEU  16   4.204  12.116   2.758
  116   2HD2  LEU  16          2HD2      LEU  16   3.688  10.613   1.949
  117   3HD2  LEU  16          3HD2      LEU  16   5.333  10.771   2.576
  118    H    GLU  17           HN       GLU  17   2.614  13.344  -2.379
  119    HA   GLU  17           HA       GLU  17   0.756  15.543  -1.837
  120   1HB   GLU  17          1HB       GLU  17   2.101  14.613  -4.397
  121   2HB   GLU  17          2HB       GLU  17   1.307  16.169  -4.161
  122   1HG   GLU  17          1HG       GLU  17   2.989  16.875  -2.558
  123   2HG   GLU  17          2HG       GLU  17   3.744  15.279  -2.529
  124    H    SER  18           H        SER  18  -0.727  13.377  -1.290
  125    HA   SER  18           HA       SER  18  -2.120  12.355  -3.670
  126   1HB   SER  18          1HB       SER  18  -3.270  11.038  -1.756
  127   2HB   SER  18          2HB       SER  18  -1.559  10.717  -2.122
  128    HG   SER  18           HG       SER  18  -1.004  11.465  -0.245
  129    H    SER  19           H        SER  19  -4.376  12.412  -3.928
  130    HA   SER  19           HA       SER  19  -5.816  14.744  -2.792
  131   1HB   SER  19          1HB       SER  19  -7.348  14.111  -4.756
  132   2HB   SER  19          2HB       SER  19  -5.733  14.717  -5.182
  133    HG   SER  19           HG       SER  19  -6.181  12.809  -6.347
  134    H    VAL  20           H        VAL  20  -6.648  11.528  -3.983
  135    HA   VAL  20           HA       VAL  20  -8.569  11.001  -1.797
  136    HB   VAL  20           HB       VAL  20  -8.632   8.689  -2.913
  137   1HG1  VAL  20          1HG1      VAL  20  -7.202  10.036  -5.229
  138   2HG1  VAL  20          2HG1      VAL  20  -7.786   8.370  -5.106
  139   3HG1  VAL  20          3HG1      VAL  20  -6.423   8.896  -4.107
  140   1HG2  VAL  20          1HG2      VAL  20  -9.453  11.109  -4.543
  141   2HG2  VAL  20          2HG2      VAL  20 -10.000   9.444  -4.816
  142   3HG2  VAL  20          3HG2      VAL  20 -10.408  10.259  -3.298
  143    HA   PRO  21           HA       PRO  21  -5.635   8.928   0.832
  144   1HB   PRO  21          1HB       PRO  21  -7.499   6.563   0.871
  145   2HB   PRO  21          2HB       PRO  21  -6.704   7.356   2.256
  146   1HG   PRO  21          1HG       PRO  21  -9.274   7.811   1.714
  147   2HG   PRO  21          2HG       PRO  21  -8.232   9.199   2.144
  148   1HD   PRO  21          1HD       PRO  21  -9.174   8.384  -0.633
  149   2HD   PRO  21          2HD       PRO  21  -9.037  10.004   0.109
  150    H    VAL  22           H        VAL  22  -4.263   6.993   0.869
  151    HA   VAL  22           HA       VAL  22  -4.049   5.531  -1.718
  152    HB   VAL  22           HB       VAL  22  -1.756   7.146  -0.532
  153   1HG1  VAL  22          1HG1      VAL  22  -0.999   5.176  -1.711
  154   2HG1  VAL  22          2HG1      VAL  22  -2.030   5.568  -3.106
  155   3HG1  VAL  22          3HG1      VAL  22  -0.658   6.613  -2.684
  156   1HG2  VAL  22          1HG2      VAL  22  -2.001   8.522  -2.624
  157   2HG2  VAL  22          2HG2      VAL  22  -3.598   7.799  -2.857
  158   3HG2  VAL  22          3HG2      VAL  22  -3.259   8.755  -1.404
  159    H    LEU  23           H        LEU  23  -3.849   3.459  -1.265
  160    HA   LEU  23           HA       LEU  23  -2.675   2.537   1.308
  161   1HB   LEU  23          2HB       LEU  23  -4.557   1.366  -0.723
  162   2HB   LEU  23          1HB       LEU  23  -3.464   0.277   0.135
  163    HG   LEU  23           HG       LEU  23  -4.219   1.100   2.306
  164   1HD1  LEU  23          1HD1      LEU  23  -6.420   0.073   2.247
  165   2HD1  LEU  23          2HD1      LEU  23  -5.311  -0.823   1.195
  166   3HD1  LEU  23          3HD1      LEU  23  -6.503   0.287   0.481
  167   1HD2  LEU  23          1HD2      LEU  23  -6.325   2.527   2.367
  168   2HD2  LEU  23          2HD2      LEU  23  -4.880   3.397   1.847
  169   3HD2  LEU  23          3HD2      LEU  23  -6.063   2.866   0.639
  170    H    VAL  24           H        VAL  24  -0.541   2.271   1.267
  171    HA   VAL  24           HA       VAL  24   0.814   1.544  -1.321
  172    HB   VAL  24           HB       VAL  24   1.964   2.783   1.205
  173   1HG1  VAL  24          1HG1      VAL  24   3.638   1.413   0.013
  174   2HG1  VAL  24          2HG1      VAL  24   3.967   3.125  -0.257
  175   3HG1  VAL  24          3HG1      VAL  24   3.182   2.170  -1.529
  176   1HG2  VAL  24          1HG2      VAL  24   1.380   3.994  -1.530
  177   2HG2  VAL  24          2HG2      VAL  24   2.235   4.778  -0.188
  178   3HG2  VAL  24          3HG2      VAL  24   0.522   4.379  -0.019
  179    H    ASP  25           HN       ASP  25   1.199  -0.628  -1.482
  180    HA   ASP  25           HA       ASP  25   1.552  -2.278   0.954
  181   1HB   ASP  25          1HB       ASP  25   0.145  -3.215  -0.779
  182   2HB   ASP  25          2HB       ASP  25   1.410  -2.952  -1.980
  183    H    PHE  26           H        PHE  26   3.557  -2.291   1.841
  184    HA   PHE  26           HA       PHE  26   5.918  -1.606   0.191
  185   1HB   PHE  26          2HB       PHE  26   5.522  -2.358   3.105
  186   2HB   PHE  26          1HB       PHE  26   7.102  -2.170   2.351
  187    HD1  PHE  26           HD1      PHE  26   8.119  -0.055   2.183
  188    HD2  PHE  26           HD2      PHE  26   3.875  -0.276   2.921
  189    HE1  PHE  26           HE1      PHE  26   8.009   2.416   2.320
  190    HE2  PHE  26           HE2      PHE  26   3.794   2.178   3.168
  191    HZ   PHE  26           HZ       PHE  26   5.870   3.533   2.916
  192    H    TRP  27           H        TRP  27   6.706  -3.159  -1.141
  193    HA   TRP  27           HA       TRP  27   6.423  -6.045  -0.362
  194   1HB   TRP  27          2HB       TRP  27   5.762  -6.590  -2.574
  195   2HB   TRP  27          1HB       TRP  27   4.702  -5.306  -2.047
  196    HD1  TRP  27           HD1      TRP  27   5.448  -2.832  -3.078
  197    HE1  TRP  27           HE1      TRP  27   6.559  -2.173  -5.333
  198    HE3  TRP  27           HE3      TRP  27   7.050  -7.448  -4.564
  199    HZ2  TRP  27           HZ2      TRP  27   8.080  -3.485  -7.372
  200    HZ3  TRP  27           HZ3      TRP  27   8.285  -7.720  -6.685
  201    HH2  TRP  27           HH2      TRP  27   8.823  -5.750  -8.089
  202    H    ALA  28           H        ALA  28   7.675  -7.289  -2.260
  203    HA   ALA  28           HA       ALA  28   9.956  -6.078  -3.418
  204   1HB   ALA  28          1HB       ALA  28  10.828  -6.167  -1.033
  205   2HB   ALA  28          2HB       ALA  28  11.723  -7.261  -2.083
  206   3HB   ALA  28          3HB       ALA  28  10.484  -7.911  -1.006
  207    HA   PRO  29           HA       PRO  29   9.291  -9.766  -5.793
  208   1HB   PRO  29          1HB       PRO  29  11.762 -10.387  -6.835
  209   2HB   PRO  29          2HB       PRO  29  10.773  -9.002  -7.381
  210   1HG   PRO  29          1HG       PRO  29  13.072  -8.974  -5.412
  211   2HG   PRO  29          2HG       PRO  29  12.767  -7.851  -6.765
  212   1HD   PRO  29          1HD       PRO  29  12.071  -7.201  -4.222
  213   2HD   PRO  29          2HD       PRO  29  11.008  -6.772  -5.572
  214    H    TRP  30           H        TRP  30  12.164  -9.918  -3.664
  215    HA   TRP  30           HA       TRP  30  12.178 -12.776  -3.389
  216   1HB   TRP  30          2HB       TRP  30  13.602 -12.244  -1.383
  217   2HB   TRP  30          1HB       TRP  30  14.163 -11.632  -2.930
  218    HD1  TRP  30           HD1      TRP  30  14.720  -9.157  -3.110
  219    HE1  TRP  30           HE1      TRP  30  14.732  -7.160  -1.505
  220    HE3  TRP  30           HE3      TRP  30  11.952 -11.170   0.715
  221    HZ2  TRP  30           HZ2      TRP  30  13.432  -6.425   0.967
  222    HZ3  TRP  30           HZ3      TRP  30  11.244  -9.750   2.607
  223    HH2  TRP  30           HH2      TRP  30  11.844  -7.350   2.673
  224    H    CYS  31           H        CYS  31   9.982 -10.382  -2.134
  225    HA   CYS  31           HA       CYS  31   9.465 -11.818   0.385
  226   1HB   CYS  31          2HB       CYS  31   9.138  -9.513   0.495
  227   2HB   CYS  31          1HB       CYS  31   8.144  -9.481  -0.958
  228    H    GLY  32           H        GLY  32   8.984 -13.848  -0.146
  229   1HA   GLY  32          1HA       GLY  32   7.611 -15.235  -1.868
  230   2HA   GLY  32          2HA       GLY  32   7.358 -15.529  -0.147
  231    HA   PRO  33           HA       PRO  33   3.115 -14.631  -0.617
  232   1HB   PRO  33          1HB       PRO  33   2.287 -12.815   1.257
  233   2HB   PRO  33          2HB       PRO  33   2.774 -14.488   1.655
  234   1HG   PRO  33          2HG       PRO  33   4.490 -12.005   1.746
  235   2HG   PRO  33          1HG       PRO  33   4.228 -13.186   3.049
  236   1HD   PRO  33          1HD       PRO  33   6.415 -13.332   1.400
  237   2HD   PRO  33          2HD       PRO  33   5.557 -14.842   1.817
  238    H    CYS  34           H        CYS  34   4.962 -11.602  -0.271
  239    HA   CYS  34           HA       CYS  34   3.174  -9.748  -1.349
  240   1HB   CYS  34          2HB       CYS  34   6.140  -9.740  -1.993
  241   2HB   CYS  34          1HB       CYS  34   4.967  -8.448  -2.080
  242    H    ARG  35           HN       ARG  35   5.584 -11.753  -3.002
  243    HA   ARG  35           HA       ARG  35   5.319 -11.070  -5.650
  244   1HB   ARG  35          1HB       ARG  35   6.797 -12.792  -4.439
  245   2HB   ARG  35          2HB       ARG  35   5.502 -13.955  -4.677
  246   1HG   ARG  35          2HG       ARG  35   5.624 -13.573  -7.155
  247   2HG   ARG  35          1HG       ARG  35   6.990 -12.470  -6.885
  248   1HD   ARG  35          1HD       ARG  35   6.850 -15.417  -6.150
  249   2HD   ARG  35          2HD       ARG  35   7.808 -14.723  -7.470
  250    HE   ARG  35           HE       ARG  35   8.906 -13.324  -5.567
  251   1HH1  ARG  35          2HH2      ARG  35   8.046 -16.756  -5.208
  252   2HH1  ARG  35          1HH2      ARG  35   9.024 -16.952  -3.780
  253   1HH2  ARG  35          1HH1      ARG  35  10.072 -13.559  -3.818
  254   2HH2  ARG  35          2HH1      ARG  35  10.240 -15.061  -2.930
  255    H    ILE  36           H        ILE  36   3.328 -13.457  -3.885
  256    HA   ILE  36           HA       ILE  36   1.565 -13.799  -6.259
  257    HB   ILE  36           HB       ILE  36   0.588 -15.677  -5.003
  258   1HG1  ILE  36          2HG1      ILE  36   1.960 -16.616  -3.107
  259   2HG1  ILE  36          1HG1      ILE  36   2.693 -15.046  -2.874
  260   1HG2  ILE  36          1HG2      ILE  36   2.505 -15.903  -6.580
  261   2HG2  ILE  36          2HG2      ILE  36   3.630 -15.763  -5.212
  262   3HG2  ILE  36          3HG2      ILE  36   2.511 -17.135  -5.312
  263   1HD1  ILE  36          1HD1      ILE  36   0.775 -15.571  -1.334
  264   2HD1  ILE  36          2HD1      ILE  36   0.436 -14.126  -2.284
  265   3HD1  ILE  36          3HD1      ILE  36  -0.308 -15.673  -2.734
  266    H    ILE  37           H        ILE  37   1.550 -11.909  -3.355
  267    HA   ILE  37           HA       ILE  37  -1.368 -11.688  -3.356
  268    HB   ILE  37           HB       ILE  37   0.512 -11.456  -1.378
  269   1HG1  ILE  37          1HG1      ILE  37  -1.316 -10.327  -0.041
  270   2HG1  ILE  37          2HG1      ILE  37  -2.284 -10.305  -1.521
  271   1HG2  ILE  37          1HG2      ILE  37   0.815  -9.257  -0.628
  272   2HG2  ILE  37          2HG2      ILE  37  -0.364  -8.596  -1.755
  273   3HG2  ILE  37          3HG2      ILE  37   1.212  -9.154  -2.349
  274   1HD1  ILE  37          1HD1      ILE  37  -2.103 -12.814  -1.619
  275   2HD1  ILE  37          2HD1      ILE  37  -2.775 -12.266  -0.076
  276   3HD1  ILE  37          3HD1      ILE  37  -1.078 -12.775  -0.171
  277    H    ALA  38           H        ALA  38   1.350  -9.905  -4.714
  278    HA   ALA  38           HA       ALA  38   0.463  -7.487  -5.349
  279   1HB   ALA  38          1HB       ALA  38   1.770  -9.415  -7.326
  280   2HB   ALA  38          2HB       ALA  38   2.577  -8.390  -6.131
  281   3HB   ALA  38          3HB       ALA  38   1.711  -7.657  -7.490
  282    HA   PRO  39           HA       PRO  39  -2.402  -8.677  -9.060
  283   1HB   PRO  39          2HB       PRO  39  -3.455 -11.368  -8.301
  284   2HB   PRO  39          1HB       PRO  39  -2.949 -10.779  -9.907
  285   1HG   PRO  39          1HG       PRO  39  -1.414 -12.561  -8.511
  286   2HG   PRO  39          2HG       PRO  39  -0.652 -11.220  -9.422
  287   1HD   PRO  39          1HD       PRO  39  -1.401 -11.255  -6.479
  288   2HD   PRO  39          2HD       PRO  39   0.201 -10.923  -7.197
  289    H    VAL  40           H        VAL  40  -2.914  -9.991  -5.814
  290    HA   VAL  40           HA       VAL  40  -5.741  -9.529  -5.614
  291    HB   VAL  40           HB       VAL  40  -3.745  -9.761  -3.329
  292   1HG1  VAL  40          1HG1      VAL  40  -5.664 -10.592  -2.130
  293   2HG1  VAL  40          2HG1      VAL  40  -6.686 -10.347  -3.571
  294   3HG1  VAL  40          3HG1      VAL  40  -5.923  -8.950  -2.758
  295   1HG2  VAL  40          1HG2      VAL  40  -5.198 -11.962  -4.876
  296   2HG2  VAL  40          2HG2      VAL  40  -3.437 -11.748  -4.807
  297   3HG2  VAL  40          3HG2      VAL  40  -4.325 -12.186  -3.346
  298    H    VAL  41           H        VAL  41  -2.753  -7.855  -4.532
  299    HA   VAL  41           HA       VAL  41  -3.867  -5.520  -3.413
  300    HB   VAL  41           HB       VAL  41  -1.285  -5.644  -5.040
  301   1HG1  VAL  41          1HG1      VAL  41  -0.148  -6.034  -2.894
  302   2HG1  VAL  41          2HG1      VAL  41  -1.723  -6.192  -2.078
  303   3HG1  VAL  41          3HG1      VAL  41  -1.220  -7.353  -3.317
  304   1HG2  VAL  41          1HG2      VAL  41  -1.893  -3.349  -4.594
  305   2HG2  VAL  41          2HG2      VAL  41  -2.297  -3.726  -2.900
  306   3HG2  VAL  41          3HG2      VAL  41  -0.622  -3.795  -3.455
  307    H    ASP  42           HN       ASP  42  -3.005  -6.203  -6.822
  308    HA   ASP  42           HA       ASP  42  -3.810  -3.727  -7.939
  309   1HB   ASP  42          1HB       ASP  42  -3.590  -6.543  -8.993
  310   2HB   ASP  42          2HB       ASP  42  -4.396  -5.334  -9.974
  311    H    GLU  43           HN       GLU  43  -5.883  -6.746  -7.838
  312    HA   GLU  43           HA       GLU  43  -8.109  -5.341  -8.853
  313   1HB   GLU  43          1HB       GLU  43  -9.432  -7.247  -8.127
  314   2HB   GLU  43          2HB       GLU  43  -7.959  -7.735  -8.968
  315   1HG   GLU  43          1HG       GLU  43  -6.892  -8.232  -6.844
  316   2HG   GLU  43          2HG       GLU  43  -8.334  -7.765  -5.934
  317    H    ILE  44           H        ILE  44  -7.011  -5.488  -5.433
  318    HA   ILE  44           HA       ILE  44  -9.555  -4.587  -4.454
  319    HB   ILE  44           HB       ILE  44  -7.294  -3.390  -2.955
  320   1HG1  ILE  44          1HG1      ILE  44  -7.474  -6.409  -3.260
  321   2HG1  ILE  44          2HG1      ILE  44  -6.104  -5.295  -3.556
  322   1HG2  ILE  44          1HG2      ILE  44  -9.698  -3.497  -2.243
  323   2HG2  ILE  44          2HG2      ILE  44  -9.594  -5.269  -2.225
  324   3HG2  ILE  44          3HG2      ILE  44  -8.642  -4.304  -1.090
  325   1HD1  ILE  44          1HD1      ILE  44  -7.246  -6.035  -0.856
  326   2HD1  ILE  44          2HD1      ILE  44  -5.654  -6.419  -1.519
  327   3HD1  ILE  44          3HD1      ILE  44  -6.057  -4.734  -1.136
  328    H    ALA  45           H        ALA  45  -7.046  -2.877  -6.271
  329    HA   ALA  45           HA       ALA  45  -7.811  -0.193  -5.683
  330   1HB   ALA  45          1HB       ALA  45  -5.840  -0.984  -7.119
  331   2HB   ALA  45          2HB       ALA  45  -6.783   0.375  -7.769
  332   3HB   ALA  45          3HB       ALA  45  -7.016  -1.255  -8.415
  333    H    GLY  46           H        GLY  46  -9.211  -2.705  -7.790
  334   1HA   GLY  46          1HA       GLY  46 -11.165  -1.046  -9.127
  335   2HA   GLY  46          2HA       GLY  46 -11.139  -2.818  -9.013
  336    H    GLU  47           HN       GLU  47 -11.105  -3.144  -6.196
  337    HA   GLU  47           HA       GLU  47 -13.853  -2.917  -5.514
  338   1HB   GLU  47          1HB       GLU  47 -11.413  -3.256  -3.744
  339   2HB   GLU  47          2HB       GLU  47 -13.055  -3.433  -3.225
  340   1HG   GLU  47          2HG       GLU  47 -11.813  -5.127  -5.460
  341   2HG   GLU  47          1HG       GLU  47 -11.799  -5.581  -3.755
  342    H    TYR  48           H        TYR  48 -11.063  -0.868  -4.757
  343    HA   TYR  48           HA       TYR  48 -12.679   1.066  -3.245
  344   1HB   TYR  48          1HB       TYR  48  -9.969   1.715  -4.427
  345   2HB   TYR  48          2HB       TYR  48 -10.814   2.365  -3.064
  346    HD1  TYR  48           HD1      TYR  48  -7.965   0.880  -3.622
  347    HD2  TYR  48           HD2      TYR  48 -11.539   0.294  -1.357
  348    HE1  TYR  48           HE1      TYR  48  -6.778  -0.828  -2.222
  349    HE2  TYR  48           HE2      TYR  48 -10.413  -1.474   0.017
  350    HH   TYR  48           HH       TYR  48  -8.370  -2.464   0.525
  351    H    LYS  49           HN       LYS  49 -14.115   0.784  -5.328
  352    HA   LYS  49           HA       LYS  49 -13.849   2.783  -7.386
  353   1HB   LYS  49          2HB       LYS  49 -15.343   0.823  -7.563
  354   2HB   LYS  49          1HB       LYS  49 -16.281   1.349  -6.167
  355   1HG   LYS  49          1HG       LYS  49 -16.039   2.974  -8.743
  356   2HG   LYS  49          2HG       LYS  49 -17.260   1.721  -8.476
  357   1HD   LYS  49          1HD       LYS  49 -17.954   3.004  -6.353
  358   2HD   LYS  49          2HD       LYS  49 -17.013   4.365  -6.984
  359   1HE   LYS  49          2HE       LYS  49 -19.336   2.989  -8.400
  360   2HE   LYS  49          1HE       LYS  49 -19.386   4.553  -7.575
  361   1HZ   LYS  49          1HZ       LYS  49 -17.747   3.921  -9.926
  362   2HZ   LYS  49          2HZ       LYS  49 -17.780   5.371  -9.142
  363   3HZ   LYS  49          3HZ       LYS  49 -19.127   4.820  -9.914
  364    H    ASP  50           HN       ASP  50 -15.272   2.485  -4.150
  365    HA   ASP  50           HA       ASP  50 -15.707   5.360  -3.795
  366   1HB   ASP  50          1HB       ASP  50 -15.057   3.365  -1.721
  367   2HB   ASP  50          2HB       ASP  50 -15.819   4.945  -1.507
  368    H    LYS  51           HN       LYS  51 -13.961   5.826  -4.484
  369    HA   LYS  51           HA       LYS  51 -11.701   5.187  -4.960
  370   1HB   LYS  51          2HB       LYS  51 -12.005   8.113  -4.448
  371   2HB   LYS  51          1HB       LYS  51 -10.706   7.212  -5.284
  372   1HG   LYS  51          1HG       LYS  51 -13.519   6.919  -6.326
  373   2HG   LYS  51          2HG       LYS  51 -12.697   8.440  -6.579
  374   1HD   LYS  51          1HD       LYS  51 -12.418   7.022  -8.506
  375   2HD   LYS  51          2HD       LYS  51 -10.860   7.416  -7.768
  376   1HE   LYS  51          1HE       LYS  51 -10.642   5.175  -6.858
  377   2HE   LYS  51          2HE       LYS  51 -12.326   4.786  -7.280
  378   1HZ   LYS  51          1HZ       LYS  51 -10.770   3.859  -8.799
  379   2HZ   LYS  51          2HZ       LYS  51 -11.716   4.967  -9.570
  380   3HZ   LYS  51          3HZ       LYS  51 -10.159   5.344  -9.172
  381    H    LEU  52           H        LEU  52 -10.594   4.235  -3.803
  382    HA   LEU  52           HA       LEU  52  -8.637   5.617  -1.946
  383   1HB   LEU  52          1HB       LEU  52 -10.231   3.290  -1.313
  384   2HB   LEU  52          2HB       LEU  52  -8.560   2.735  -1.594
  385    HG   LEU  52           HG       LEU  52  -7.859   4.467   0.098
  386   1HD1  LEU  52          1HD1      LEU  52 -10.913   4.677   0.325
  387   2HD1  LEU  52          2HD1      LEU  52  -9.764   5.373   1.494
  388   3HD1  LEU  52          3HD1      LEU  52  -9.831   5.982  -0.168
  389   1HD2  LEU  52          1HD2      LEU  52  -8.740   3.146   2.012
  390   2HD2  LEU  52          2HD2      LEU  52  -8.273   2.068   0.680
  391   3HD2  LEU  52          3HD2      LEU  52  -9.979   2.442   0.947
  392    H    LYS  53           HN       LYS  53  -6.611   5.781  -2.894
  393    HA   LYS  53           HA       LYS  53  -6.220   4.358  -5.443
  394   1HB   LYS  53          1HB       LYS  53  -5.529   6.788  -4.684
  395   2HB   LYS  53          2HB       LYS  53  -4.113   5.991  -4.029
  396   1HG   LYS  53          2HG       LYS  53  -4.914   5.437  -6.902
  397   2HG   LYS  53          1HG       LYS  53  -4.203   7.000  -6.503
  398   1HD   LYS  53          2HD       LYS  53  -2.193   6.079  -5.673
  399   2HD   LYS  53          1HD       LYS  53  -2.844   4.437  -5.646
  400   1HE   LYS  53          1HE       LYS  53  -2.484   6.011  -8.225
  401   2HE   LYS  53          2HE       LYS  53  -1.244   4.948  -7.540
  402   1HZ   LYS  53          1HZ       LYS  53  -2.546   3.785  -9.129
  403   2HZ   LYS  53          2HZ       LYS  53  -3.941   4.099  -8.315
  404   3HZ   LYS  53          3HZ       LYS  53  -2.785   3.140  -7.630
  405    H    CYS  54           H        CYS  54  -4.502   2.787  -5.753
  406    HA   CYS  54           HA       CYS  54  -3.489   1.518  -3.243
  407   1HB   CYS  54          1HB       CYS  54  -5.435   0.258  -4.236
  408   2HB   CYS  54          2HB       CYS  54  -4.457   0.053  -5.713
  409    HG   CYS  54           HG       CYS  54  -4.288  -2.139  -4.407
  410    H    VAL  55           H        VAL  55  -1.318   0.906  -3.340
  411    HA   VAL  55           HA       VAL  55   0.078   1.066  -5.904
  412    HB   VAL  55           HB       VAL  55   1.611   2.586  -3.937
  413   1HG1  VAL  55          1HG1      VAL  55  -0.555   3.345  -3.023
  414   2HG1  VAL  55          2HG1      VAL  55   0.369   4.635  -3.814
  415   3HG1  VAL  55          3HG1      VAL  55  -1.010   3.914  -4.644
  416   1HG2  VAL  55          1HG2      VAL  55   1.663   4.241  -5.763
  417   2HG2  VAL  55          2HG2      VAL  55   2.029   2.609  -6.347
  418   3HG2  VAL  55          3HG2      VAL  55   0.423   3.323  -6.636
  419    H    LYS  56           HN       LYS  56   2.308   0.364  -5.717
  420    HA   LYS  56           HA       LYS  56   2.890  -1.331  -3.330
  421   1HB   LYS  56          2HB       LYS  56   2.698  -1.886  -6.245
  422   2HB   LYS  56          1HB       LYS  56   4.020  -2.677  -5.384
  423   1HG   LYS  56          1HG       LYS  56   2.556  -3.664  -3.776
  424   2HG   LYS  56          2HG       LYS  56   1.153  -2.776  -4.413
  425   1HD   LYS  56          1HD       LYS  56   2.773  -4.795  -6.027
  426   2HD   LYS  56          2HD       LYS  56   1.359  -5.222  -5.046
  427   1HE   LYS  56          1HE       LYS  56  -0.033  -3.607  -6.348
  428   2HE   LYS  56          2HE       LYS  56   1.353  -3.273  -7.403
  429   1HZ   LYS  56          1HZ       LYS  56   0.036  -5.872  -7.038
  430   2HZ   LYS  56          2HZ       LYS  56  -0.078  -4.911  -8.356
  431   3HZ   LYS  56          3HZ       LYS  56   1.367  -5.600  -7.978
  432    H    LEU  57           H        LEU  57   4.609  -0.604  -2.305
  433    HA   LEU  57           HA       LEU  57   6.687   0.997  -3.714
  434   1HB   LEU  57          1HB       LEU  57   5.657   2.020  -1.806
  435   2HB   LEU  57          2HB       LEU  57   6.056   0.631  -0.763
  436    HG   LEU  57           HG       LEU  57   7.331   2.638  -0.351
  437   1HD1  LEU  57          1HD1      LEU  57   8.934   3.531  -1.893
  438   2HD1  LEU  57          2HD1      LEU  57   8.628   2.214  -3.050
  439   3HD1  LEU  57          3HD1      LEU  57   7.384   3.447  -2.732
  440   1HD2  LEU  57          1HD2      LEU  57   8.235   0.229  -0.038
  441   2HD2  LEU  57          2HD2      LEU  57   9.253   0.581  -1.417
  442   3HD2  LEU  57          3HD2      LEU  57   9.382   1.581   0.043
  443    H    ASN  58           H        ASN  58   8.405  -0.047  -4.446
  444    HA   ASN  58           HA       ASN  58   9.037  -2.757  -3.507
  445   1HB   ASN  58          1HB       ASN  58   9.377  -2.096  -5.854
  446   2HB   ASN  58          2HB       ASN  58  10.613  -0.944  -5.354
  447   1HD2  ASN  58          2HD2      ASN  58  10.247  -4.031  -6.561
  448   2HD2  ASN  58          1HD2      ASN  58  11.746  -4.718  -5.962
  449    H    THR  59           H        THR  59   9.924  -3.054  -1.624
  450    HA   THR  59           HA       THR  59  11.023  -0.954  -0.006
  451    HB   THR  59           HB       THR  59  11.113  -3.977   0.405
  452    HG1  THR  59           HG1      THR  59   9.010  -3.394   0.040
  453   1HG2  THR  59          1HG2      THR  59  12.466  -2.713   2.062
  454   2HG2  THR  59          2HG2      THR  59  11.071  -1.660   2.383
  455   3HG2  THR  59          3HG2      THR  59  11.000  -3.380   2.805
  456    H    ASP  60           HN       ASP  60  12.449  -3.364  -2.142
  457    HA   ASP  60           HA       ASP  60  15.132  -3.274  -1.035
  458   1HB   ASP  60          1HB       ASP  60  13.883  -5.083  -2.470
  459   2HB   ASP  60          2HB       ASP  60  14.355  -4.110  -3.851
  460    H    GLU  61           HN       GLU  61  13.332  -1.785  -3.634
  461    HA   GLU  61           HA       GLU  61  15.506  -0.177  -4.703
  462   1HB   GLU  61          2HB       GLU  61  13.398  -1.182  -5.887
  463   2HB   GLU  61          1HB       GLU  61  12.536   0.194  -5.173
  464   1HG   GLU  61          1HG       GLU  61  13.106   0.812  -7.379
  465   2HG   GLU  61          2HG       GLU  61  14.237   1.704  -6.361
  466    H    SER  62           H        SER  62  12.904   0.289  -2.363
  467    HA   SER  62           HA       SER  62  13.705   3.137  -1.904
  468   1HB   SER  62          2HB       SER  62  11.514   2.823  -3.014
  469   2HB   SER  62          1HB       SER  62  10.939   1.904  -1.624
  470    HG   SER  62           HG       SER  62  11.361   3.680  -0.324
  471    HA   PRO  63           HA       PRO  63  14.167   0.463   2.003
  472   1HB   PRO  63          1HB       PRO  63  16.837   0.797   2.410
  473   2HB   PRO  63          2HB       PRO  63  16.212  -0.449   1.286
  474   1HG   PRO  63          2HG       PRO  63  17.157   2.357   0.563
  475   2HG   PRO  63          1HG       PRO  63  17.687   0.830  -0.155
  476   1HD   PRO  63          1HD       PRO  63  15.738   2.215  -1.359
  477   2HD   PRO  63          2HD       PRO  63  15.578   0.449  -1.194
  478    H    ASN  64           H        ASN  64  15.395   3.485   0.737
  479    HA   ASN  64           HA       ASN  64  15.922   5.071   2.943
  480   1HB   ASN  64          1HB       ASN  64  14.333   5.874   0.457
  481   2HB   ASN  64          2HB       ASN  64  15.042   7.000   1.624
  482   1HD2  ASN  64          2HD2      ASN  64  15.762   7.460  -0.860
  483   2HD2  ASN  64          1HD2      ASN  64  17.397   6.873  -1.179
  484    H    VAL  65           H        VAL  65  12.707   5.109   1.403
  485    HA   VAL  65           HA       VAL  65  11.337   6.379   3.490
  486    HB   VAL  65           HB       VAL  65  10.312   4.394   1.402
  487   1HG1  VAL  65          1HG2      VAL  65   8.649   4.731   3.212
  488   2HG1  VAL  65          2HG2      VAL  65   8.144   5.482   1.696
  489   3HG1  VAL  65          3HG2      VAL  65   8.796   6.491   3.007
  490   1HG2  VAL  65          1HG1      VAL  65  11.457   6.293   0.344
  491   2HG2  VAL  65          2HG1      VAL  65  10.581   7.434   1.380
  492   3HG2  VAL  65          3HG1      VAL  65   9.709   6.481   0.160
  493    H    ALA  66           H        ALA  66  11.425   2.904   2.725
  494    HA   ALA  66           HA       ALA  66   9.865   1.975   4.843
  495   1HB   ALA  66          1HB       ALA  66  10.554   0.578   3.005
  496   2HB   ALA  66          2HB       ALA  66  12.263   0.670   3.513
  497   3HB   ALA  66          3HB       ALA  66  11.080  -0.179   4.526
  498    H    SER  67           H        SER  67  13.433   2.491   4.921
  499    HA   SER  67           HA       SER  67  13.753   1.525   7.595
  500   1HB   SER  67          1HB       SER  67  15.946   2.637   7.512
  501   2HB   SER  67          2HB       SER  67  15.645   1.663   6.062
  502    HG   SER  67           HG       SER  67  15.077   3.617   4.977
  503    H    GLU  68           HN       GLU  68  13.452   4.825   6.286
  504    HA   GLU  68           HA       GLU  68  13.457   6.281   8.705
  505   1HB   GLU  68          1HB       GLU  68  11.917   6.726   6.113
  506   2HB   GLU  68          2HB       GLU  68  12.004   7.917   7.409
  507   1HG   GLU  68          2HG       GLU  68  14.346   8.247   7.112
  508   2HG   GLU  68          1HG       GLU  68  14.537   6.773   6.161
  509    H    TYR  69           H        TYR  69  10.785   4.627   7.074
  510    HA   TYR  69           HA       TYR  69   8.755   5.366   9.022
  511   1HB   TYR  69          1HB       TYR  69   8.973   3.700   6.521
  512   2HB   TYR  69          2HB       TYR  69   7.677   3.335   7.595
  513    HD1  TYR  69           HD1      TYR  69   9.339   6.370   6.046
  514    HD2  TYR  69           HD2      TYR  69   5.660   4.608   7.432
  515    HE1  TYR  69           HE1      TYR  69   8.102   8.302   5.175
  516    HE2  TYR  69           HE2      TYR  69   4.420   6.600   6.622
  517    HH   TYR  69           HH       TYR  69   6.067   9.349   5.039
  518    H    GLY  70           H        GLY  70  11.016   2.705   8.734
  519   1HA   GLY  70          1HA       GLY  70  11.703   1.367  10.547
  520   2HA   GLY  70          2HA       GLY  70  10.208   1.742  11.423
  521    H    ILE  71           H        ILE  71  10.257   0.719   8.054
  522    HA   ILE  71           HA       ILE  71   8.444  -1.498   8.692
  523    HB   ILE  71           HB       ILE  71   9.518  -0.531   6.023
  524   1HG1  ILE  71          1HG1      ILE  71   7.121   0.278   7.722
  525   2HG1  ILE  71          2HG1      ILE  71   8.448   1.296   7.158
  526   1HG2  ILE  71          1HG2      ILE  71   7.566  -1.704   5.095
  527   2HG2  ILE  71          2HG2      ILE  71   8.548  -2.834   6.011
  528   3HG2  ILE  71          3HG2      ILE  71   7.053  -2.194   6.727
  529   1HD1  ILE  71          1HD1      ILE  71   6.287   0.142   5.394
  530   2HD1  ILE  71          2HD1      ILE  71   6.602   1.842   5.794
  531   3HD1  ILE  71          3HD1      ILE  71   7.784   0.935   4.838
  532    H    ARG  72           HN       ARG  72   9.986  -2.557  10.004
  533    HA   ARG  72           HA       ARG  72  12.367  -3.774   8.918
  534   1HB   ARG  72          1HB       ARG  72  12.334  -5.048  11.041
  535   2HB   ARG  72          2HB       ARG  72  12.154  -3.313  11.303
  536   1HG   ARG  72          1HG       ARG  72   9.949  -3.484  12.009
  537   2HG   ARG  72          2HG       ARG  72   9.610  -4.934  11.057
  538   1HD   ARG  72          1HD       ARG  72  10.955  -6.320  12.582
  539   2HD   ARG  72          2HD       ARG  72  11.392  -4.881  13.512
  540    HE   ARG  72           HE       ARG  72   9.378  -4.903  14.564
  541   1HH1  ARG  72          1HH2      ARG  72   9.041  -7.025  11.679
  542   2HH1  ARG  72          2HH2      ARG  72   7.559  -7.707  12.257
  543   1HH2  ARG  72          1HH1      ARG  72   7.412  -5.785  15.215
  544   2HH2  ARG  72          2HH1      ARG  72   6.593  -6.975  14.243
  545    H    SER  73           H        SER  73   9.144  -4.571   8.178
  546    HA   SER  73           HA       SER  73   9.914  -7.171   7.173
  547   1HB   SER  73          2HB       SER  73   7.588  -7.043   9.132
  548   2HB   SER  73          1HB       SER  73   8.307  -8.478   8.389
  549    HG   SER  73           HG       SER  73  10.319  -7.555   9.564
  550    H    ILE  74           H        ILE  74   8.160  -8.012   5.777
  551    HA   ILE  74           HA       ILE  74   6.025  -6.195   4.991
  552    HB   ILE  74           HB       ILE  74   6.824  -6.371   2.565
  553   1HG1  ILE  74          1HG1      ILE  74   9.565  -6.982   3.659
  554   2HG1  ILE  74          2HG1      ILE  74   8.482  -8.207   2.971
  555   1HG2  ILE  74          1HG2      ILE  74   8.175  -4.395   2.698
  556   2HG2  ILE  74          2HG2      ILE  74   8.730  -4.788   4.331
  557   3HG2  ILE  74          3HG2      ILE  74   7.041  -4.311   4.045
  558   1HD1  ILE  74          1HD1      ILE  74   9.880  -7.445   1.183
  559   2HD1  ILE  74          2HD1      ILE  74   8.266  -6.831   0.892
  560   3HD1  ILE  74          3HD1      ILE  74   9.532  -5.747   1.518
  561    HA   PRO  75           HA       PRO  75   4.669  -6.585   2.714
  562   1HB   PRO  75          1HB       PRO  75   2.109  -7.410   2.417
  563   2HB   PRO  75          2HB       PRO  75   3.434  -7.949   1.401
  564   1HG   PRO  75          1HG       PRO  75   2.280  -9.383   3.840
  565   2HG   PRO  75          2HG       PRO  75   2.647 -10.098   2.240
  566   1HD   PRO  75          1HD       PRO  75   4.285 -10.248   4.452
  567   2HD   PRO  75          2HD       PRO  75   4.952 -10.162   2.808
  568    H    THR  76           H        THR  76   3.465  -4.886   3.266
  569    HA   THR  76           HA       THR  76   1.652  -4.820   5.523
  570    HB   THR  76           HB       THR  76   4.390  -3.502   5.735
  571    HG1  THR  76           HG1      THR  76   3.554  -5.765   6.612
  572   1HG2  THR  76          1HG2      THR  76   3.535  -2.492   7.848
  573   2HG2  THR  76          2HG2      THR  76   1.904  -3.062   7.447
  574   3HG2  THR  76          3HG2      THR  76   2.703  -1.834   6.432
  575    H    ILE  77           H        ILE  77   0.106  -3.537   4.821
  576    HA   ILE  77           HA       ILE  77   0.584  -1.623   2.633
  577    HB   ILE  77           HB       ILE  77  -2.063  -2.620   3.724
  578   1HG1  ILE  77          1HG1      ILE  77  -0.382  -3.769   1.458
  579   2HG1  ILE  77          2HG1      ILE  77  -0.842  -4.585   2.958
  580   1HG2  ILE  77          1HG2      ILE  77  -1.308  -1.390   1.031
  581   2HG2  ILE  77          2HG2      ILE  77  -2.945  -1.744   1.626
  582   3HG2  ILE  77          3HG2      ILE  77  -1.995  -0.471   2.385
  583   1HD1  ILE  77          1HD1      ILE  77  -3.250  -4.388   2.292
  584   2HD1  ILE  77          2HD1      ILE  77  -2.708  -3.798   0.698
  585   3HD1  ILE  77          3HD1      ILE  77  -2.255  -5.419   1.241
  586    H    MET  78           H        MET  78   0.839   0.521   3.282
  587    HA   MET  78           HA       MET  78  -0.337   1.268   5.957
  588   1HB   MET  78          2HB       MET  78   1.653   2.823   4.371
  589   2HB   MET  78          1HB       MET  78   1.045   3.180   5.979
  590   1HG   MET  78          2HG       MET  78   1.918   0.979   6.786
  591   2HG   MET  78          1HG       MET  78   2.755   0.771   5.249
  592   1HE   MET  78          1HE       MET  78   5.258   1.598   8.319
  593   2HE   MET  78          2HE       MET  78   4.703   0.299   7.229
  594   3HE   MET  78          3HE       MET  78   3.630   0.911   8.503
  595    H    VAL  79           H        VAL  79  -1.560   3.084   6.108
  596    HA   VAL  79           HA       VAL  79  -3.177   3.692   3.652
  597    HB   VAL  79           HB       VAL  79  -3.911   3.799   6.604
  598   1HG1  VAL  79          1HG1      VAL  79  -4.929   2.001   4.376
  599   2HG1  VAL  79          2HG1      VAL  79  -3.846   1.501   5.692
  600   3HG1  VAL  79          3HG1      VAL  79  -5.496   2.025   6.056
  601   1HG2  VAL  79          1HG2      VAL  79  -5.057   5.634   5.501
  602   2HG2  VAL  79          2HG2      VAL  79  -6.217   4.327   5.697
  603   3HG2  VAL  79          3HG2      VAL  79  -5.466   4.613   4.113
  604    H    PHE  80           H        PHE  80  -2.323   5.529   2.785
  605    HA   PHE  80           HA       PHE  80  -1.622   7.828   4.536
  606   1HB   PHE  80          1HB       PHE  80  -1.349   7.309   1.587
  607   2HB   PHE  80          2HB       PHE  80  -0.997   8.859   2.343
  608    HD1  PHE  80           HD1      PHE  80   0.034   5.269   2.191
  609    HD2  PHE  80           HD2      PHE  80   1.009   9.208   3.654
  610    HE1  PHE  80           HE1      PHE  80   2.246   4.452   2.952
  611    HE2  PHE  80           HE2      PHE  80   3.139   8.345   4.558
  612    HZ   PHE  80           HZ       PHE  80   3.733   5.937   4.273
  613    H    LYS  81           HN       LYS  81  -3.081   9.291   4.998
  614    HA   LYS  81           HA       LYS  81  -5.719   9.224   3.544
  615   1HB   LYS  81          2HB       LYS  81  -6.798   9.632   5.557
  616   2HB   LYS  81          1HB       LYS  81  -5.561   8.458   5.988
  617   1HG   LYS  81          1HG       LYS  81  -5.661  11.440   6.602
  618   2HG   LYS  81          2HG       LYS  81  -5.684  10.088   7.725
  619   1HD   LYS  81          1HD       LYS  81  -3.287   9.552   6.921
  620   2HD   LYS  81          2HD       LYS  81  -3.337  11.104   6.065
  621   1HE   LYS  81          1HE       LYS  81  -2.256  11.585   8.081
  622   2HE   LYS  81          2HE       LYS  81  -3.899  12.213   8.284
  623   1HZ   LYS  81          1HZ       LYS  81  -2.787   9.700   9.331
  624   2HZ   LYS  81          2HZ       LYS  81  -3.207  11.028  10.203
  625   3HZ   LYS  81          3HZ       LYS  81  -4.380  10.125   9.478
  626    H    GLY  82           H        GLY  82  -2.999  10.966   3.547
  627   1HA   GLY  82          1HA       GLY  82  -3.483  13.096   2.182
  628   2HA   GLY  82          2HA       GLY  82  -4.182  13.677   3.709
  629    H    GLY  83           H        GLY  83  -1.229  13.108   1.953
  630   1HA   GLY  83          2HA       GLY  83   0.915  13.782   2.463
  631   2HA   GLY  83          1HA       GLY  83   0.333  14.465   3.973
  632    H    LYS  84           HN       LYS  84  -0.289  12.748   5.636
  633    HA   LYS  84           HA       LYS  84   2.009  10.818   5.844
  634   1HB   LYS  84          2HB       LYS  84   0.319  12.054   8.049
  635   2HB   LYS  84          1HB       LYS  84   1.768  11.066   8.257
  636   1HG   LYS  84          2HG       LYS  84   1.636  13.854   7.025
  637   2HG   LYS  84          1HG       LYS  84   2.286  13.407   8.604
  638   1HD   LYS  84          1HD       LYS  84   4.018  11.983   7.456
  639   2HD   LYS  84          2HD       LYS  84   3.417  12.570   5.889
  640   1HE   LYS  84          1HE       LYS  84   3.912  14.906   6.565
  641   2HE   LYS  84          2HE       LYS  84   4.560  14.318   8.109
  642   1HZ   LYS  84          1HZ       LYS  84   6.275  14.698   6.509
  643   2HZ   LYS  84          2HZ       LYS  84   6.200  13.095   6.879
  644   3HZ   LYS  84          3HZ       LYS  84   5.594  13.640   5.445
  645    H    LYS  85           HN       LYS  85   1.537   9.002   7.406
  646    HA   LYS  85           HA       LYS  85  -0.645   7.441   6.290
  647   1HB   LYS  85          1HB       LYS  85   0.220   5.613   7.505
  648   2HB   LYS  85          2HB       LYS  85   1.527   6.405   6.628
  649   1HG   LYS  85          2HG       LYS  85   2.365   7.449   8.655
  650   2HG   LYS  85          1HG       LYS  85   0.986   6.880   9.606
  651   1HD   LYS  85          1HD       LYS  85   2.994   5.038   8.235
  652   2HD   LYS  85          2HD       LYS  85   3.084   5.565   9.924
  653   1HE   LYS  85          2HE       LYS  85   0.786   4.561  10.304
  654   2HE   LYS  85          1HE       LYS  85   0.872   3.869   8.672
  655   1HZ   LYS  85          1HZ       LYS  85   1.587   2.322  10.298
  656   2HZ   LYS  85          2HZ       LYS  85   2.756   3.344  10.850
  657   3HZ   LYS  85          3HZ       LYS  85   2.853   2.731   9.323
  658    H    CYS  86           H        CYS  86  -2.156   6.288   7.645
  659    HA   CYS  86           HA       CYS  86  -2.927   7.694  10.190
  660   1HB   CYS  86          2HB       CYS  86  -4.523   8.080   8.300
  661   2HB   CYS  86          1HB       CYS  86  -4.794   6.345   8.182
  662    HG   CYS  86           HG       CYS  86  -6.746   6.910   9.575
  663    H    GLU  87           HN       GLU  87  -3.642   4.646   8.453
  664    HA   GLU  87           HA       GLU  87  -2.743   3.088  10.843
  665   1HB   GLU  87          2HB       GLU  87  -4.986   2.093   9.088
  666   2HB   GLU  87          1HB       GLU  87  -4.546   1.654  10.736
  667   1HG   GLU  87          2HG       GLU  87  -6.423   2.829  11.190
  668   2HG   GLU  87          1HG       GLU  87  -5.266   4.151  11.303
  669    H    THR  88           H        THR  88  -2.989   0.559   9.804
  670    HA   THR  88           HA       THR  88  -1.859   0.343   7.198
  671    HB   THR  88           HB       THR  88   0.169   0.989   8.462
  672    HG1  THR  88           HG1      THR  88   0.179  -0.769   6.861
  673   1HG2  THR  88          1HG2      THR  88  -0.391  -1.441  10.231
  674   2HG2  THR  88          2HG2      THR  88   1.063  -0.431  10.266
  675   3HG2  THR  88          3HG2      THR  88  -0.497   0.259  10.743
  676    H    ILE  89           H        ILE  89  -1.418  -2.088   6.791
  677    HA   ILE  89           HA       ILE  89  -3.059  -3.898   8.462
  678    HB   ILE  89           HB       ILE  89  -3.345  -3.692   5.425
  679   1HG1  ILE  89          2HG1      ILE  89  -5.272  -2.633   7.534
  680   2HG1  ILE  89          1HG1      ILE  89  -4.302  -1.641   6.431
  681   1HG2  ILE  89          1HG2      ILE  89  -5.203  -5.256   5.752
  682   2HG2  ILE  89          2HG2      ILE  89  -5.033  -5.144   7.517
  683   3HG2  ILE  89          3HG2      ILE  89  -3.778  -5.916   6.533
  684   1HD1  ILE  89          1HD1      ILE  89  -6.524  -1.732   5.581
  685   2HD1  ILE  89          2HD1      ILE  89  -6.526  -3.498   5.562
  686   3HD1  ILE  89          3HD1      ILE  89  -5.435  -2.599   4.482
  687    H    ILE  90           H        ILE  90  -1.959  -5.927   8.553
  688    HA   ILE  90           HA       ILE  90   0.671  -6.062   7.220
  689    HB   ILE  90           HB       ILE  90  -0.791  -8.004   9.056
  690   1HG1  ILE  90          2HG1      ILE  90   1.527  -6.071   9.581
  691   2HG1  ILE  90          1HG1      ILE  90  -0.144  -5.807  10.091
  692   1HG2  ILE  90          1HG2      ILE  90   2.101  -8.008   8.058
  693   2HG2  ILE  90          2HG2      ILE  90   0.845  -9.169   7.580
  694   3HG2  ILE  90          3HG2      ILE  90   1.411  -9.142   9.237
  695   1HD1  ILE  90          1HD1      ILE  90   1.037  -6.607  11.985
  696   2HD1  ILE  90          2HD1      ILE  90   1.713  -7.981  11.106
  697   3HD1  ILE  90          3HD1      ILE  90  -0.034  -7.916  11.448
  698    H    GLY  91           H        GLY  91   1.120  -7.523   5.464
  699   1HA   GLY  91          2HA       GLY  91  -1.239  -8.117   3.828
  700   2HA   GLY  91          1HA       GLY  91   0.422  -8.388   3.380
  701    H    ALA  92           H        ALA  92  -0.092 -10.525   2.579
  702    HA   ALA  92           HA       ALA  92  -0.719 -12.713   2.582
  703   1HB   ALA  92          1HB       ALA  92   1.378 -12.795   3.916
  704   2HB   ALA  92          2HB       ALA  92   0.432 -12.652   5.413
  705   3HB   ALA  92          3HB       ALA  92   0.232 -14.070   4.370
  706    H    VAL  93           H        VAL  93  -2.932 -11.367   2.741
  707    HA   VAL  93           HA       VAL  93  -4.642 -12.743   4.723
  708    HB   VAL  93           HB       VAL  93  -5.778 -10.208   4.008
  709   1HG1  VAL  93          1HG1      VAL  93  -3.139  -9.853   5.453
  710   2HG1  VAL  93          2HG1      VAL  93  -4.329  -8.591   5.117
  711   3HG1  VAL  93          3HG1      VAL  93  -3.438  -9.320   3.776
  712   1HG2  VAL  93          1HG2      VAL  93  -6.060  -9.773   6.276
  713   2HG2  VAL  93          2HG2      VAL  93  -6.459 -11.457   5.933
  714   3HG2  VAL  93          3HG2      VAL  93  -4.914 -11.068   6.727
  715    HA   PRO  94           HA       PRO  94  -7.135 -12.994   0.904
  716   1HB   PRO  94          2HB       PRO  94  -9.577 -12.777   2.575
  717   2HB   PRO  94          1HB       PRO  94  -9.152 -14.068   1.446
  718   1HG   PRO  94          2HG       PRO  94  -9.042 -14.480   4.173
  719   2HG   PRO  94          1HG       PRO  94  -7.731 -15.123   3.134
  720   1HD   PRO  94          1HD       PRO  94  -7.805 -12.466   4.582
  721   2HD   PRO  94          2HD       PRO  94  -6.534 -13.698   4.732
  722    H    LYS  95           HN       LYS  95  -8.073 -11.287  -0.310
  723    HA   LYS  95           HA       LYS  95  -7.794  -8.722   0.785
  724   1HB   LYS  95          1HB       LYS  95  -9.348  -8.075  -1.242
  725   2HB   LYS  95          2HB       LYS  95  -7.730  -8.688  -1.581
  726   1HG   LYS  95          2HG       LYS  95  -8.639 -10.882  -2.169
  727   2HG   LYS  95          1HG       LYS  95 -10.266 -10.415  -1.636
  728   1HD   LYS  95          2HD       LYS  95  -8.760  -8.928  -3.826
  729   2HD   LYS  95          1HD       LYS  95  -9.723 -10.378  -4.155
  730   1HE   LYS  95          2HE       LYS  95 -11.752  -9.326  -3.329
  731   2HE   LYS  95          1HE       LYS  95 -10.873  -7.863  -2.853
  732   1HZ   LYS  95          1HZ       LYS  95 -10.390  -7.425  -5.091
  733   2HZ   LYS  95          2HZ       LYS  95 -10.994  -8.868  -5.600
  734   3HZ   LYS  95          3HZ       LYS  95 -12.011  -7.719  -4.985
  735    H    ALA  96           H        ALA  96 -10.559 -10.836   0.773
  736    HA   ALA  96           HA       ALA  96 -12.677  -9.053   1.308
  737   1HB   ALA  96          1HB       ALA  96 -13.660 -10.879   2.671
  738   2HB   ALA  96          2HB       ALA  96 -12.106 -11.739   2.659
  739   3HB   ALA  96          3HB       ALA  96 -12.998 -11.489   1.142
  740    H    THR  97           H        THR  97 -10.427 -10.539   3.721
  741    HA   THR  97           HA       THR  97 -11.226  -9.088   5.964
  742    HB   THR  97           HB       THR  97  -8.415 -10.049   5.281
  743    HG1  THR  97           HG1      THR  97 -10.687 -11.509   6.165
  744   1HG2  THR  97          1HG2      THR  97  -8.345 -10.625   7.693
  745   2HG2  THR  97          2HG2      THR  97  -8.614  -8.888   7.462
  746   3HG2  THR  97          3HG2      THR  97  -9.970  -9.944   7.914
  747    H    ILE  98           H        ILE  98  -8.740  -8.301   3.478
  748    HA   ILE  98           HA       ILE  98  -7.736  -5.941   4.727
  749    HB   ILE  98           HB       ILE  98  -7.911  -6.659   1.755
  750   1HG1  ILE  98          2HG1      ILE  98  -5.686  -6.989   3.819
  751   2HG1  ILE  98          1HG1      ILE  98  -6.654  -8.284   3.106
  752   1HG2  ILE  98          1HG2      ILE  98  -6.152  -4.960   1.440
  753   2HG2  ILE  98          2HG2      ILE  98  -7.579  -4.201   2.117
  754   3HG2  ILE  98          3HG2      ILE  98  -6.197  -4.567   3.170
  755   1HD1  ILE  98          1HD1      ILE  98  -5.759  -7.590   0.827
  756   2HD1  ILE  98          2HD1      ILE  98  -4.599  -6.561   1.696
  757   3HD1  ILE  98          3HD1      ILE  98  -4.594  -8.309   1.948
  758    H    VAL  99           H        VAL  99 -10.422  -6.389   2.376
  759    HA   VAL  99           HA       VAL  99 -11.122  -3.625   2.208
  760    HB   VAL  99           HB       VAL  99 -12.661  -6.178   1.636
  761   1HG1  VAL  99          1HG1      VAL  99 -14.324  -4.429   2.040
  762   2HG1  VAL  99          2HG1      VAL  99 -13.420  -3.283   1.028
  763   3HG1  VAL  99          3HG1      VAL  99 -14.197  -4.708   0.304
  764   1HG2  VAL  99          1HG2      VAL  99 -11.382  -4.107  -0.208
  765   2HG2  VAL  99          2HG2      VAL  99 -12.186  -5.608  -0.705
  766   3HG2  VAL  99          3HG2      VAL  99 -10.657  -5.674   0.182
  767    H    GLN 100           H        GLN 100 -12.384  -6.294   4.330
  768    HA   GLN 100           HA       GLN 100 -14.309  -4.680   5.710
  769   1HB   GLN 100          1HB       GLN 100 -12.752  -7.163   6.479
  770   2HB   GLN 100          2HB       GLN 100 -13.704  -6.288   7.680
  771   1HG   GLN 100          1HG       GLN 100 -15.040  -8.046   6.821
  772   2HG   GLN 100          2HG       GLN 100 -15.747  -6.509   6.298
  773   1HE2  GLN 100          2HE2      GLN 100 -15.125  -5.779   4.000
  774   2HE2  GLN 100          1HE2      GLN 100 -14.451  -6.984   2.919
  775    H    THR 101           H        THR 101 -10.912  -5.205   6.243
  776    HA   THR 101           HA       THR 101 -10.705  -3.589   8.638
  777    HB   THR 101           HB       THR 101  -8.512  -4.099   6.588
  778    HG1  THR 101           HG1      THR 101  -9.439  -6.021   7.365
  779   1HG2  THR 101          1HG2      THR 101  -7.903  -2.357   8.201
  780   2HG2  THR 101          2HG2      THR 101  -7.042  -3.859   8.591
  781   3HG2  THR 101          3HG2      THR 101  -8.450  -3.374   9.553
  782    H    VAL 102           H        VAL 102 -10.226  -2.750   5.159
  783    HA   VAL 102           HA       VAL 102  -9.702   0.013   5.534
  784    HB   VAL 102           HB       VAL 102 -10.929  -1.586   3.256
  785   1HG1  VAL 102          1HG1      VAL 102  -8.484  -1.814   3.712
  786   2HG1  VAL 102          2HG1      VAL 102  -8.323  -0.052   3.569
  787   3HG1  VAL 102          3HG1      VAL 102  -8.805  -1.018   2.160
  788   1HG2  VAL 102          1HG2      VAL 102 -11.963   0.604   3.028
  789   2HG2  VAL 102          2HG2      VAL 102 -10.685   0.419   1.832
  790   3HG2  VAL 102          3HG2      VAL 102 -10.391   1.401   3.287
  791    H    GLU 103           HN       GLU 103 -12.827  -1.680   5.110
  792    HA   GLU 103           HA       GLU 103 -14.480   0.603   5.257
  793   1HB   GLU 103          2HB       GLU 103 -14.971  -2.288   6.105
  794   2HB   GLU 103          1HB       GLU 103 -16.213  -1.035   6.031
  795   1HG   GLU 103          1HG       GLU 103 -15.949  -0.726   3.681
  796   2HG   GLU 103          2HG       GLU 103 -14.515  -1.747   3.601
  797    H    LYS 104           HN       LYS 104 -13.309  -1.544   7.855
  798    HA   LYS 104           HA       LYS 104 -14.485  -0.198  10.023
  799   1HB   LYS 104          1HB       LYS 104 -13.479  -1.895  11.082
  800   2HB   LYS 104          2HB       LYS 104 -12.566  -2.265   9.656
  801   1HG   LYS 104          1HG       LYS 104 -11.107  -2.173  11.466
  802   2HG   LYS 104          2HG       LYS 104 -10.700  -0.870  10.371
  803   1HD   LYS 104          1HD       LYS 104 -10.497  -0.409  12.823
  804   2HD   LYS 104          2HD       LYS 104 -11.419   0.802  11.971
  805   1HE   LYS 104          2HE       LYS 104 -12.716  -1.490  13.523
  806   2HE   LYS 104          1HE       LYS 104 -12.291   0.078  14.227
  807   1HZ   LYS 104          1HZ       LYS 104 -14.501   0.208  13.608
  808   2HZ   LYS 104          2HZ       LYS 104 -14.234  -0.378  12.097
  809   3HZ   LYS 104          3HZ       LYS 104 -13.668   1.108  12.498
  810    H    TYR 105           H        TYR 105 -11.408   0.581   8.342
  811    HA   TYR 105           HA       TYR 105 -10.844   2.867  10.056
  812   1HB   TYR 105          1HB       TYR 105  -9.864   2.206   7.252
  813   2HB   TYR 105          2HB       TYR 105  -9.188   3.427   8.316
  814    HD1  TYR 105           HD1      TYR 105  -7.683   1.164   6.959
  815    HD2  TYR 105           HD2      TYR 105  -9.357   1.554  10.919
  816    HE1  TYR 105           HE1      TYR 105  -5.918  -0.308   7.869
  817    HE2  TYR 105           HE2      TYR 105  -7.690  -0.027  11.780
  818    HH   TYR 105           HH       TYR 105  -4.988  -1.285   9.818
  819    H    LEU 106           H        LEU 106 -12.586   2.514   6.961
  820    HA   LEU 106           HA       LEU 106 -12.960   5.453   6.764
  821   1HB   LEU 106          2HB       LEU 106 -13.803   3.167   4.940
  822   2HB   LEU 106          1HB       LEU 106 -14.031   4.892   4.612
  823    HG   LEU 106           HG       LEU 106 -11.361   3.442   4.908
  824   1HD1  LEU 106          1HD2      LEU 106 -11.962   6.353   4.230
  825   2HD1  LEU 106          2HD2      LEU 106 -11.054   5.748   5.637
  826   3HD1  LEU 106          3HD2      LEU 106 -10.385   5.566   4.015
  827   1HD2  LEU 106          1HD1      LEU 106 -11.137   3.745   2.531
  828   2HD2  LEU 106          2HD1      LEU 106 -12.654   4.654   2.425
  829   3HD2  LEU 106          3HD1      LEU 106 -12.671   2.924   2.821
  830    H    ASN 107           H        ASN 107 -15.376   2.893   6.135
  831    HA   ASN 107           HA       ASN 107 -17.108   3.466   8.243
  832   1HB   ASN 107          1HB       ASN 107 -17.410   5.561   6.711
  833   2HB   ASN 107          2HB       ASN 107 -18.096   4.448   5.525
  834   1HD2  ASN 107          2HD2      ASN 107 -19.570   2.744   7.426
  835   2HD2  ASN 107          1HD2      ASN 107 -20.868   3.761   8.067
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1   0.608  -2.840 -11.860
    2   2H    MET   1          2H        MET   1  -0.802  -3.313 -11.085
    3   3H    MET   1          3H        MET   1  -0.367  -1.753 -11.041
    4    HA   MET   1           HA       MET   1  -0.809  -1.395 -13.284
    5   1HB   MET   1          2HB       MET   1  -1.759  -3.200 -14.680
    6   2HB   MET   1          1HB       MET   1  -0.078  -3.509 -14.234
    7   1HG   MET   1          2HG       MET   1  -0.798  -5.128 -12.528
    8   2HG   MET   1          1HG       MET   1  -2.502  -4.790 -12.903
    9   1HE   MET   1          1HE       MET   1  -2.133  -8.413 -14.146
   10   2HE   MET   1          2HE       MET   1  -1.323  -7.703 -12.730
   11   3HE   MET   1          3HE       MET   1  -3.018  -7.286 -13.091
   12    H    GLU   2           HN       GLU   2  -2.963  -0.585 -13.617
   13    HA   GLU   2           HA       GLU   2  -5.047   0.059 -12.969
   14   1HB   GLU   2          1HB       GLU   2  -5.321  -2.433 -11.227
   15   2HB   GLU   2          2HB       GLU   2  -6.584  -1.358 -11.797
   16   1HG   GLU   2          1HG       GLU   2  -6.319  -2.121 -14.077
   17   2HG   GLU   2          2HG       GLU   2  -4.867  -3.048 -13.671
   18    H    ALA   3           H        ALA   3  -3.730  -1.643 -10.150
   19    HA   ALA   3           HA       ALA   3  -3.633   0.739  -8.434
   20   1HB   ALA   3          1HB       ALA   3  -2.400  -0.771  -6.920
   21   2HB   ALA   3          2HB       ALA   3  -2.273  -1.986  -8.194
   22   3HB   ALA   3          3HB       ALA   3  -3.869  -1.585  -7.511
   23    H    GLY   4           H        GLY   4  -1.632   1.936  -8.084
   24   1HA   GLY   4          1HA       GLY   4   0.147   1.899 -10.432
   25   2HA   GLY   4          2HA       GLY   4   0.214   2.991  -9.046
   26    H    ALA   5           H        ALA   5   2.572   2.444  -9.555
   27    HA   ALA   5           HA       ALA   5   3.515   0.462  -7.593
   28   1HB   ALA   5          1HB       ALA   5   4.684   0.882 -10.388
   29   2HB   ALA   5          2HB       ALA   5   5.432  -0.058  -9.078
   30   3HB   ALA   5          3HB       ALA   5   3.901  -0.602  -9.797
   31    H    VAL   6           H        VAL   6   5.154   1.516  -6.340
   32    HA   VAL   6           HA       VAL   6   5.888   4.280  -7.188
   33    HB   VAL   6           HB       VAL   6   5.536   5.115  -4.930
   34   1HG1  VAL   6          1HG2      VAL   6   4.333   3.867  -3.217
   35   2HG1  VAL   6          2HG2      VAL   6   5.809   3.007  -3.684
   36   3HG1  VAL   6          3HG2      VAL   6   4.227   2.442  -4.267
   37   1HG2  VAL   6          1HG1      VAL   6   3.087   5.147  -4.859
   38   2HG2  VAL   6          2HG1      VAL   6   3.656   5.306  -6.540
   39   3HG2  VAL   6          3HG1      VAL   6   3.040   3.750  -5.945
   40    H    ASN   7           H        ASN   7   7.627   5.120  -5.818
   41    HA   ASN   7           HA       ASN   7   9.522   3.135  -4.763
   42   1HB   ASN   7          1HB       ASN   7   9.998   5.070  -7.088
   43   2HB   ASN   7          2HB       ASN   7  11.334   4.471  -6.122
   44   1HD2  ASN   7          1HD2      ASN   7  11.394   2.031  -5.793
   45   2HD2  ASN   7          2HD2      ASN   7  11.146   1.083  -7.281
   46    H    ASP   8           HN       ASP   8  11.431   4.601  -3.893
   47    HA   ASP   8           HA       ASP   8  10.433   6.071  -1.751
   48   1HB   ASP   8          1HB       ASP   8  12.699   6.834  -1.389
   49   2HB   ASP   8          2HB       ASP   8  12.733   5.167  -2.005
   50    H    ASP   9           HN       ASP   9  11.688   7.357  -4.730
   51    HA   ASP   9           HA       ASP   9  11.116  10.111  -4.318
   52   1HB   ASP   9          1HB       ASP   9  12.506   9.377  -6.161
   53   2HB   ASP   9          2HB       ASP   9  11.193   8.474  -6.901
   54    H    THR  10           H        THR  10   9.212   8.053  -6.533
   55    HA   THR  10           HA       THR  10   7.062   9.789  -6.838
   56    HB   THR  10           HB       THR  10   5.846   7.650  -7.585
   57    HG1  THR  10           HG1      THR  10   7.433   5.907  -7.841
   58   1HG2  THR  10          1HG2      THR  10   8.632   8.219  -8.718
   59   2HG2  THR  10          2HG2      THR  10   7.152   9.111  -9.118
   60   3HG2  THR  10          3HG2      THR  10   7.302   7.403  -9.564
   61    H    PHE  11           H        PHE  11   7.533   7.405  -4.274
   62    HA   PHE  11           HA       PHE  11   5.123   7.130  -3.021
   63   1HB   PHE  11          1HB       PHE  11   7.292   6.307  -2.166
   64   2HB   PHE  11          2HB       PHE  11   7.773   7.927  -1.752
   65    HD1  PHE  11           HD1      PHE  11   5.226   5.302  -0.951
   66    HD2  PHE  11           HD2      PHE  11   7.247   8.877   0.362
   67    HE1  PHE  11           HE1      PHE  11   4.433   4.902   1.360
   68    HE2  PHE  11           HE2      PHE  11   6.409   8.499   2.657
   69    HZ   PHE  11           HZ       PHE  11   5.045   6.484   3.170
   70    H    LYS  12           HN       LYS  12   7.301   9.873  -2.862
   71    HA   LYS  12           HA       LYS  12   5.799  11.504  -1.061
   72   1HB   LYS  12          1HB       LYS  12   7.601  12.393  -3.366
   73   2HB   LYS  12          2HB       LYS  12   6.908  13.396  -2.105
   74   1HG   LYS  12          2HG       LYS  12   8.083  11.529  -0.497
   75   2HG   LYS  12          1HG       LYS  12   9.025  11.215  -1.952
   76   1HD   LYS  12          1HD       LYS  12  10.325  12.765  -0.748
   77   2HD   LYS  12          2HD       LYS  12   9.526  13.756  -1.982
   78   1HE   LYS  12          1HE       LYS  12   7.769  14.368  -0.239
   79   2HE   LYS  12          2HE       LYS  12   8.672  13.416   0.947
   80   1HZ   LYS  12          1HZ       LYS  12   9.688  15.763  -0.494
   81   2HZ   LYS  12          2HZ       LYS  12  10.529  14.878   0.615
   82   3HZ   LYS  12          3HZ       LYS  12   9.194  15.725   1.077
   83    H    ASN  13           H        ASN  13   5.839  11.724  -4.647
   84    HA   ASN  13           HA       ASN  13   3.766  13.689  -4.807
   85   1HB   ASN  13          1HB       ASN  13   4.622  11.643  -6.880
   86   2HB   ASN  13          2HB       ASN  13   3.790  13.171  -7.171
   87   1HD2  ASN  13          2HD2      ASN  13   5.568  14.702  -5.152
   88   2HD2  ASN  13          1HD2      ASN  13   7.060  14.864  -6.058
   89    H    VAL  14           H        VAL  14   3.720  10.224  -4.665
   90    HA   VAL  14           HA       VAL  14   0.904  10.085  -5.656
   91    HB   VAL  14           HB       VAL  14   2.990   7.948  -5.058
   92   1HG1  VAL  14          1HG1      VAL  14   3.095   7.748  -7.519
   93   2HG1  VAL  14          2HG1      VAL  14   3.504   9.398  -7.050
   94   3HG1  VAL  14          3HG1      VAL  14   1.895   9.042  -7.694
   95   1HG2  VAL  14          1HG2      VAL  14   0.808   6.900  -4.821
   96   2HG2  VAL  14          2HG2      VAL  14   0.220   7.703  -6.300
   97   3HG2  VAL  14          3HG2      VAL  14   1.482   6.468  -6.400
   98    H    VAL  15           H        VAL  15   2.755   9.129  -2.757
   99    HA   VAL  15           HA       VAL  15   0.286   8.303  -1.375
  100    HB   VAL  15           HB       VAL  15   3.167   8.043  -0.425
  101   1HG1  VAL  15          1HG1      VAL  15   1.425   7.858   1.299
  102   2HG1  VAL  15          2HG1      VAL  15   0.654   6.553   0.366
  103   3HG1  VAL  15          3HG1      VAL  15   2.294   6.356   1.023
  104   1HG2  VAL  15          1HG2      VAL  15   2.980   5.686  -1.251
  105   2HG2  VAL  15          2HG2      VAL  15   1.476   6.121  -2.081
  106   3HG2  VAL  15          3HG2      VAL  15   3.005   6.863  -2.567
  107    H    LEU  16           H        LEU  16   3.130  10.494  -0.766
  108    HA   LEU  16           HA       LEU  16   1.861  11.474   1.669
  109   1HB   LEU  16          1HB       LEU  16   4.108  12.773   0.079
  110   2HB   LEU  16          2HB       LEU  16   3.583  13.195   1.700
  111    HG   LEU  16           HG       LEU  16   4.808  10.521   0.889
  112   1HD1  LEU  16          1HD2      LEU  16   5.899  12.781   2.625
  113   2HD1  LEU  16          2HD2      LEU  16   6.743  11.287   2.163
  114   3HD1  LEU  16          3HD2      LEU  16   6.357  12.509   0.936
  115   1HD2  LEU  16          1HD1      LEU  16   3.294  10.122   2.754
  116   2HD2  LEU  16          2HD1      LEU  16   4.940  10.185   3.391
  117   3HD2  LEU  16          3HD1      LEU  16   3.874  11.585   3.591
  118    H    GLU  17           HN       GLU  17   2.394  13.071  -1.523
  119    HA   GLU  17           HA       GLU  17   0.592  15.262  -0.862
  120   1HB   GLU  17          2HB       GLU  17   1.945  14.425  -3.459
  121   2HB   GLU  17          1HB       GLU  17   1.189  15.984  -3.143
  122   1HG   GLU  17          2HG       GLU  17   2.853  16.510  -1.422
  123   2HG   GLU  17          1HG       GLU  17   3.609  14.923  -1.596
  124    H    SER  18           H        SER  18  -0.952  13.078  -0.473
  125    HA   SER  18           HA       SER  18  -2.377  12.311  -2.929
  126   1HB   SER  18          1HB       SER  18  -3.536  10.819  -1.208
  127   2HB   SER  18          2HB       SER  18  -1.817  10.537  -1.529
  128    HG   SER  18           HG       SER  18  -1.330  11.089   0.427
  129    H    SER  19           H        SER  19  -4.523  12.713  -3.331
  130    HA   SER  19           HA       SER  19  -5.903  14.858  -1.841
  131   1HB   SER  19          1HB       SER  19  -7.456  14.518  -3.876
  132   2HB   SER  19          2HB       SER  19  -5.827  15.142  -4.213
  133    HG   SER  19           HG       SER  19  -6.307  13.406  -5.615
  134    H    VAL  20           H        VAL  20  -6.702  11.807  -3.395
  135    HA   VAL  20           HA       VAL  20  -8.788  11.064  -1.472
  136    HB   VAL  20           HB       VAL  20  -8.640   8.840  -2.794
  137   1HG1  VAL  20          1HG1      VAL  20  -7.023  10.445  -4.803
  138   2HG1  VAL  20          2HG1      VAL  20  -7.520   8.750  -4.876
  139   3HG1  VAL  20          3HG1      VAL  20  -6.305   9.254  -3.696
  140   1HG2  VAL  20          1HG2      VAL  20 -10.443  10.263  -3.275
  141   2HG2  VAL  20          2HG2      VAL  20  -9.709   9.830  -4.828
  142   3HG2  VAL  20          3HG2      VAL  20  -9.408  11.431  -4.147
  143    HA   PRO  21           HA       PRO  21  -6.229   8.541   1.226
  144   1HB   PRO  21          2HB       PRO  21  -8.255   6.388   0.575
  145   2HB   PRO  21          1HB       PRO  21  -7.481   6.719   2.149
  146   1HG   PRO  21          1HG       PRO  21  -9.943   7.602   1.635
  147   2HG   PRO  21          2HG       PRO  21  -8.793   8.800   2.309
  148   1HD   PRO  21          1HD       PRO  21  -9.603   8.417  -0.603
  149   2HD   PRO  21          2HD       PRO  21  -9.444   9.935   0.334
  150    H    VAL  22           H        VAL  22  -4.923   6.610   1.145
  151    HA   VAL  22           HA       VAL  22  -4.421   5.430  -1.528
  152    HB   VAL  22           HB       VAL  22  -2.328   6.556   0.372
  153   1HG1  VAL  22          1HG2      VAL  22  -1.563   4.752  -1.119
  154   2HG1  VAL  22          2HG2      VAL  22  -2.154   5.652  -2.516
  155   3HG1  VAL  22          3HG2      VAL  22  -0.847   6.316  -1.556
  156   1HG2  VAL  22          1HG1      VAL  22  -3.470   8.506  -0.388
  157   2HG2  VAL  22          2HG1      VAL  22  -2.009   8.344  -1.365
  158   3HG2  VAL  22          3HG1      VAL  22  -3.577   7.899  -2.054
  159    H    LEU  23           H        LEU  23  -3.556   3.369  -1.470
  160    HA   LEU  23           HA       LEU  23  -3.048   2.023   1.149
  161   1HB   LEU  23          2HB       LEU  23  -5.228   1.411   0.161
  162   2HB   LEU  23          1HB       LEU  23  -4.465   0.854  -1.303
  163    HG   LEU  23           HG       LEU  23  -3.729  -0.299   1.425
  164   1HD1  LEU  23          1HD2      LEU  23  -3.242  -2.348  -0.011
  165   2HD1  LEU  23          2HD2      LEU  23  -2.161  -0.998  -0.327
  166   3HD1  LEU  23          3HD2      LEU  23  -3.500  -1.342  -1.443
  167   1HD2  LEU  23          1HD1      LEU  23  -5.362  -2.108   0.928
  168   2HD2  LEU  23          2HD1      LEU  23  -6.135  -0.546   1.203
  169   3HD2  LEU  23          3HD1      LEU  23  -5.959  -1.171  -0.457
  170    H    VAL  24           H        VAL  24  -0.779   1.965   1.004
  171    HA   VAL  24           HA       VAL  24   0.463   1.241  -1.653
  172    HB   VAL  24           HB       VAL  24   1.304   3.279  -1.297
  173   1HG1  VAL  24          1HG2      VAL  24   0.329   3.958   0.724
  174   2HG1  VAL  24          2HG2      VAL  24   2.082   4.133   0.926
  175   3HG1  VAL  24          3HG2      VAL  24   1.243   2.753   1.662
  176   1HG2  VAL  24          1HG1      VAL  24   3.605   3.085  -0.631
  177   2HG2  VAL  24          2HG1      VAL  24   3.287   1.613   0.295
  178   3HG2  VAL  24          3HG1      VAL  24   3.129   1.601  -1.477
  179    H    ASP  25           HN       ASP  25   1.018  -0.837  -1.702
  180    HA   ASP  25           HA       ASP  25   1.445  -2.360   0.802
  181   1HB   ASP  25          1HB       ASP  25   0.045  -3.406  -0.891
  182   2HB   ASP  25          2HB       ASP  25   1.311  -3.194  -2.098
  183    H    PHE  26           H        PHE  26   3.497  -2.382   1.673
  184    HA   PHE  26           HA       PHE  26   5.810  -1.759  -0.059
  185   1HB   PHE  26          1HB       PHE  26   5.509  -2.442   2.869
  186   2HB   PHE  26          2HB       PHE  26   7.059  -2.358   2.060
  187    HD1  PHE  26           HD1      PHE  26   8.207  -0.328   1.879
  188    HD2  PHE  26           HD2      PHE  26   3.943  -0.236   2.571
  189    HE1  PHE  26           HE1      PHE  26   8.300   2.121   2.178
  190    HE2  PHE  26           HE2      PHE  26   4.044   2.218   2.784
  191    HZ   PHE  26           HZ       PHE  26   6.220   3.399   2.692
  192    H    TRP  27           H        TRP  27   6.401  -3.351  -1.431
  193    HA   TRP  27           HA       TRP  27   6.079  -6.217  -0.619
  194   1HB   TRP  27          2HB       TRP  27   5.386  -6.749  -2.835
  195   2HB   TRP  27          1HB       TRP  27   4.394  -5.409  -2.307
  196    HD1  TRP  27           HD1      TRP  27   5.278  -2.946  -3.283
  197    HE1  TRP  27           HE1      TRP  27   6.396  -2.309  -5.540
  198    HE3  TRP  27           HE3      TRP  27   6.636  -7.633  -4.914
  199    HZ2  TRP  27           HZ2      TRP  27   7.652  -3.637  -7.699
  200    HZ3  TRP  27           HZ3      TRP  27   7.695  -7.888  -7.116
  201    HH2  TRP  27           HH2      TRP  27   8.247  -5.916  -8.505
  202    H    ALA  28           H        ALA  28   7.285  -7.451  -2.667
  203    HA   ALA  28           HA       ALA  28   9.547  -6.270  -3.812
  204   1HB   ALA  28          1HB       ALA  28  10.572  -6.475  -1.515
  205   2HB   ALA  28          2HB       ALA  28  10.183  -8.213  -1.538
  206   3HB   ALA  28          3HB       ALA  28  11.339  -7.535  -2.701
  207    HA   PRO  29           HA       PRO  29   8.494  -9.810  -6.268
  208   1HB   PRO  29          1HB       PRO  29  11.349 -10.359  -6.937
  209   2HB   PRO  29          2HB       PRO  29   9.954  -9.963  -7.996
  210   1HG   PRO  29          2HG       PRO  29  11.968  -8.136  -7.449
  211   2HG   PRO  29          1HG       PRO  29  10.271  -7.680  -7.758
  212   1HD   PRO  29          1HD       PRO  29  11.666  -7.872  -5.084
  213   2HD   PRO  29          2HD       PRO  29  10.456  -6.722  -5.673
  214    H    TRP  30           H        TRP  30  11.355 -10.267  -4.178
  215    HA   TRP  30           HA       TRP  30  11.080 -13.114  -3.920
  216   1HB   TRP  30          1HB       TRP  30  12.571 -12.746  -1.930
  217   2HB   TRP  30          2HB       TRP  30  13.173 -12.189  -3.481
  218    HD1  TRP  30           HD1      TRP  30  13.948  -9.760  -3.681
  219    HE1  TRP  30           HE1      TRP  30  14.214  -7.790  -2.055
  220    HE3  TRP  30           HE3      TRP  30  11.174 -11.569   0.233
  221    HZ2  TRP  30           HZ2      TRP  30  13.148  -7.005   0.508
  222    HZ3  TRP  30           HZ3      TRP  30  10.767 -10.159   2.221
  223    HH2  TRP  30           HH2      TRP  30  11.602  -7.832   2.300
  224    H    CYS  31           H        CYS  31   9.108 -10.544  -2.646
  225    HA   CYS  31           HA       CYS  31   8.454 -11.869  -0.125
  226   1HB   CYS  31          1HB       CYS  31   8.292  -9.400  -0.454
  227   2HB   CYS  31          2HB       CYS  31   7.023  -9.667  -1.619
  228    H    GLY  32           H        GLY  32   7.952 -13.993  -1.031
  229   1HA   GLY  32          1HA       GLY  32   6.125 -14.905  -2.744
  230   2HA   GLY  32          2HA       GLY  32   6.210 -15.584  -1.118
  231    HA   PRO  33           HA       PRO  33   2.180 -14.184   0.088
  232   1HB   PRO  33          2HB       PRO  33   3.295 -11.879   1.660
  233   2HB   PRO  33          1HB       PRO  33   2.020 -13.028   2.123
  234   1HG   PRO  33          2HG       PRO  33   4.581 -13.296   3.052
  235   2HG   PRO  33          1HG       PRO  33   3.648 -14.729   2.551
  236   1HD   PRO  33          1HD       PRO  33   5.792 -13.216   1.042
  237   2HD   PRO  33          2HD       PRO  33   5.506 -14.978   1.099
  238    H    CYS  34           H        CYS  34   4.253 -11.340  -0.489
  239    HA   CYS  34           HA       CYS  34   2.236  -9.470  -1.219
  240   1HB   CYS  34          1HB       CYS  34   4.965  -9.398  -2.358
  241   2HB   CYS  34          2HB       CYS  34   3.813  -8.136  -2.044
  242    H    ARG  35           HN       ARG  35   4.366 -11.700  -3.019
  243    HA   ARG  35           HA       ARG  35   3.719 -11.004  -5.661
  244   1HB   ARG  35          2HB       ARG  35   5.536 -12.581  -4.654
  245   2HB   ARG  35          1HB       ARG  35   4.317 -13.848  -4.774
  246   1HG   ARG  35          1HG       ARG  35   4.073 -13.268  -7.242
  247   2HG   ARG  35          2HG       ARG  35   5.477 -12.199  -7.050
  248   1HD   ARG  35          1HD       ARG  35   5.343 -15.193  -6.554
  249   2HD   ARG  35          2HD       ARG  35   6.207 -14.393  -7.875
  250    HE   ARG  35           HE       ARG  35   7.537 -13.229  -5.978
  251   1HH1  ARG  35          1HH2      ARG  35   6.513 -16.635  -5.817
  252   2HH1  ARG  35          2HH2      ARG  35   7.661 -17.022  -4.567
  253   1HH2  ARG  35          1HH1      ARG  35   8.950 -13.720  -4.455
  254   2HH2  ARG  35          2HH1      ARG  35   9.100 -15.312  -3.733
  255    H    ILE  36           H        ILE  36   2.295 -13.552  -3.562
  256    HA   ILE  36           HA       ILE  36   0.368 -14.281  -5.602
  257    HB   ILE  36           HB       ILE  36  -0.737 -15.626  -3.910
  258   1HG1  ILE  36          1HG1      ILE  36   1.325 -14.652  -1.917
  259   2HG1  ILE  36          2HG1      ILE  36  -0.337 -14.023  -1.961
  260   1HG2  ILE  36          1HG2      ILE  36   1.311 -16.380  -5.145
  261   2HG2  ILE  36          2HG2      ILE  36   2.317 -15.838  -3.792
  262   3HG2  ILE  36          3HG2      ILE  36   1.155 -17.157  -3.566
  263   1HD1  ILE  36          1HD1      ILE  36  -1.227 -16.266  -1.603
  264   2HD1  ILE  36          2HD1      ILE  36  -0.200 -15.681  -0.276
  265   3HD1  ILE  36          3HD1      ILE  36   0.439 -16.885  -1.416
  266    H    ILE  37           H        ILE  37   0.068 -12.021  -2.777
  267    HA   ILE  37           HA       ILE  37  -2.716 -11.518  -3.516
  268    HB   ILE  37           HB       ILE  37  -2.751  -9.739  -1.933
  269   1HG1  ILE  37          1HG1      ILE  37   0.235 -10.109  -1.657
  270   2HG1  ILE  37          2HG1      ILE  37  -0.560  -8.699  -2.351
  271   1HG2  ILE  37          1HG2      ILE  37  -2.852 -12.165  -1.228
  272   2HG2  ILE  37          2HG2      ILE  37  -2.367 -11.050   0.050
  273   3HG2  ILE  37          3HG2      ILE  37  -1.146 -12.050  -0.756
  274   1HD1  ILE  37          1HD1      ILE  37  -1.680  -8.295  -0.141
  275   2HD1  ILE  37          2HD1      ILE  37   0.088  -8.140  -0.121
  276   3HD1  ILE  37          3HD1      ILE  37  -0.671  -9.589   0.552
  277    H    ALA  38           H        ALA  38   0.338 -10.039  -4.589
  278    HA   ALA  38           HA       ALA  38  -0.245  -7.634  -5.473
  279   1HB   ALA  38          1HB       ALA  38   1.234  -7.964  -7.405
  280   2HB   ALA  38          2HB       ALA  38   1.878  -8.738  -5.954
  281   3HB   ALA  38          3HB       ALA  38   1.128  -9.717  -7.229
  282    HA   PRO  39           HA       PRO  39  -2.650  -8.798  -9.511
  283   1HB   PRO  39          2HB       PRO  39  -4.059 -11.320  -8.758
  284   2HB   PRO  39          1HB       PRO  39  -3.291 -10.888 -10.308
  285   1HG   PRO  39          1HG       PRO  39  -2.134 -12.702  -8.621
  286   2HG   PRO  39          2HG       PRO  39  -1.130 -11.494  -9.484
  287   1HD   PRO  39          1HD       PRO  39  -2.269 -11.271  -6.677
  288   2HD   PRO  39          2HD       PRO  39  -0.563 -11.125  -7.179
  289    H    VAL  40           H        VAL  40  -3.756  -9.839  -6.320
  290    HA   VAL  40           HA       VAL  40  -6.522  -9.067  -6.589
  291    HB   VAL  40           HB       VAL  40  -5.018  -9.402  -3.977
  292   1HG1  VAL  40          1HG1      VAL  40  -7.186 -10.111  -3.195
  293   2HG1  VAL  40          2HG1      VAL  40  -7.861 -10.040  -4.836
  294   3HG1  VAL  40          3HG1      VAL  40  -7.360  -8.542  -4.025
  295   1HG2  VAL  40          1HG2      VAL  40  -6.159 -11.591  -5.782
  296   2HG2  VAL  40          2HG2      VAL  40  -4.463 -11.440  -5.281
  297   3HG2  VAL  40          3HG2      VAL  40  -5.700 -11.811  -4.082
  298    H    VAL  41           H        VAL  41  -3.520  -7.713  -5.166
  299    HA   VAL  41           HA       VAL  41  -4.556  -5.214  -4.272
  300    HB   VAL  41           HB       VAL  41  -1.761  -5.767  -5.373
  301   1HG1  VAL  41          1HG1      VAL  41  -2.331  -7.328  -3.487
  302   2HG1  VAL  41          2HG1      VAL  41  -1.069  -6.178  -3.069
  303   3HG1  VAL  41          3HG1      VAL  41  -2.728  -5.930  -2.485
  304   1HG2  VAL  41          1HG2      VAL  41  -2.193  -3.356  -5.140
  305   2HG2  VAL  41          2HG2      VAL  41  -1.073  -3.902  -3.892
  306   3HG2  VAL  41          3HG2      VAL  41  -2.765  -3.610  -3.474
  307    H    ASP  42           HN       ASP  42  -3.286  -6.227  -7.485
  308    HA   ASP  42           HA       ASP  42  -3.537  -3.717  -8.783
  309   1HB   ASP  42          1HB       ASP  42  -3.813  -6.534  -9.919
  310   2HB   ASP  42          2HB       ASP  42  -3.801  -5.080 -10.881
  311    H    GLU  43           HN       GLU  43  -5.943  -6.450  -9.034
  312    HA   GLU  43           HA       GLU  43  -7.856  -4.828 -10.324
  313   1HB   GLU  43          1HB       GLU  43  -9.427  -6.582  -9.863
  314   2HB   GLU  43          2HB       GLU  43  -7.876  -7.265 -10.372
  315   1HG   GLU  43          1HG       GLU  43  -7.332  -7.726  -8.017
  316   2HG   GLU  43          2HG       GLU  43  -8.873  -7.065  -7.464
  317    H    ILE  44           H        ILE  44  -7.274  -5.207  -6.809
  318    HA   ILE  44           HA       ILE  44  -9.649  -4.132  -5.841
  319    HB   ILE  44           HB       ILE  44  -6.781  -4.085  -4.955
  320   1HG1  ILE  44          1HG1      ILE  44  -8.457  -6.028  -4.671
  321   2HG1  ILE  44          2HG1      ILE  44  -7.526  -5.459  -3.280
  322   1HG2  ILE  44          1HG2      ILE  44  -7.428  -1.892  -4.230
  323   2HG2  ILE  44          2HG2      ILE  44  -8.991  -2.516  -3.640
  324   3HG2  ILE  44          3HG2      ILE  44  -7.470  -2.982  -2.834
  325   1HD1  ILE  44          1HD1      ILE  44  -9.431  -4.402  -2.287
  326   2HD1  ILE  44          2HD1      ILE  44  -9.934  -6.016  -2.798
  327   3HD1  ILE  44          3HD1      ILE  44 -10.401  -4.603  -3.758
  328    H    ALA  45           H        ALA  45  -7.038  -2.388  -7.587
  329    HA   ALA  45           HA       ALA  45  -7.925   0.258  -6.949
  330   1HB   ALA  45          1HB       ALA  45  -6.722  -0.800  -9.536
  331   2HB   ALA  45          2HB       ALA  45  -5.802  -0.304  -8.104
  332   3HB   ALA  45          3HB       ALA  45  -6.752   0.896  -9.006
  333    H    GLY  46           H        GLY  46  -9.167  -2.191  -9.222
  334   1HA   GLY  46          2HA       GLY  46 -10.895  -0.371 -10.719
  335   2HA   GLY  46          1HA       GLY  46 -10.823  -2.143 -10.808
  336    H    GLU  47           HN       GLU  47 -10.972  -2.295  -7.755
  337    HA   GLU  47           HA       GLU  47 -13.890  -2.257  -7.514
  338   1HB   GLU  47          2HB       GLU  47 -11.813  -2.725  -5.332
  339   2HB   GLU  47          1HB       GLU  47 -13.547  -3.024  -5.296
  340   1HG   GLU  47          2HG       GLU  47 -13.195  -4.627  -7.274
  341   2HG   GLU  47          1HG       GLU  47 -11.476  -4.436  -7.047
  342    H    TYR  48           H        TYR  48 -11.158  -0.541  -6.001
  343    HA   TYR  48           HA       TYR  48 -12.974   1.360  -4.721
  344   1HB   TYR  48          1HB       TYR  48  -9.921   1.172  -4.660
  345   2HB   TYR  48          2HB       TYR  48 -10.853   2.427  -3.898
  346    HD1  TYR  48           HD1      TYR  48 -12.935   1.667  -2.402
  347    HD2  TYR  48           HD2      TYR  48  -9.210  -0.306  -3.011
  348    HE1  TYR  48           HE1      TYR  48 -13.574   0.005  -0.665
  349    HE2  TYR  48           HE2      TYR  48  -9.798  -2.000  -1.232
  350    HH   TYR  48           HH       TYR  48 -13.005  -2.014   0.343
  351    H    LYS  49           HN       LYS  49 -13.737   1.686  -6.952
  352    HA   LYS  49           HA       LYS  49 -12.706   3.987  -8.436
  353   1HB   LYS  49          1HB       LYS  49 -15.482   2.748  -8.164
  354   2HB   LYS  49          2HB       LYS  49 -15.082   4.064  -9.285
  355   1HG   LYS  49          1HG       LYS  49 -13.495   2.668 -10.481
  356   2HG   LYS  49          2HG       LYS  49 -13.663   1.366  -9.316
  357   1HD   LYS  49          2HD       LYS  49 -15.831   2.372 -11.215
  358   2HD   LYS  49          1HD       LYS  49 -14.892   0.881 -11.373
  359   1HE   LYS  49          2HE       LYS  49 -17.003   1.502  -9.258
  360   2HE   LYS  49          1HE       LYS  49 -17.047   0.284 -10.534
  361   1HZ   LYS  49          1HZ       LYS  49 -15.294   0.287  -8.178
  362   2HZ   LYS  49          2HZ       LYS  49 -16.503  -0.768  -8.532
  363   3HZ   LYS  49          3HZ       LYS  49 -15.118  -0.750  -9.435
  364    H    ASP  50           HN       ASP  50 -14.822   3.079  -5.760
  365    HA   ASP  50           HA       ASP  50 -15.312   5.736  -4.694
  366   1HB   ASP  50          1HB       ASP  50 -15.024   3.301  -3.065
  367   2HB   ASP  50          2HB       ASP  50 -16.051   4.711  -2.792
  368    H    LYS  51           HN       LYS  51 -13.462   6.298  -4.771
  369    HA   LYS  51           HA       LYS  51 -11.234   5.531  -5.126
  370   1HB   LYS  51          1HB       LYS  51 -11.575   7.949  -3.543
  371   2HB   LYS  51          2HB       LYS  51 -10.021   7.586  -4.306
  372   1HG   LYS  51          1HG       LYS  51 -12.580   7.744  -6.003
  373   2HG   LYS  51          2HG       LYS  51 -11.766   9.211  -5.540
  374   1HD   LYS  51          1HD       LYS  51 -11.113   8.512  -7.771
  375   2HD   LYS  51          2HD       LYS  51  -9.713   8.555  -6.696
  376   1HE   LYS  51          1HE       LYS  51  -9.663   6.128  -6.545
  377   2HE   LYS  51          2HE       LYS  51 -11.206   5.998  -7.425
  378   1HZ   LYS  51          1HZ       LYS  51  -8.696   7.059  -8.500
  379   2HZ   LYS  51          2HZ       LYS  51 -10.121   6.931  -9.320
  380   3HZ   LYS  51          3HZ       LYS  51  -9.340   5.574  -8.808
  381    H    LEU  52           H        LEU  52 -10.138   4.351  -4.317
  382    HA   LEU  52           HA       LEU  52  -8.423   5.116  -1.985
  383   1HB   LEU  52          1HB       LEU  52  -9.832   3.017  -1.511
  384   2HB   LEU  52          2HB       LEU  52  -8.868   2.187  -2.761
  385    HG   LEU  52           HG       LEU  52  -6.834   2.454  -1.463
  386   1HD1  LEU  52          1HD1      LEU  52  -7.162   3.500   0.897
  387   2HD1  LEU  52          2HD1      LEU  52  -7.062   4.582  -0.490
  388   3HD1  LEU  52          3HD1      LEU  52  -8.658   4.190   0.209
  389   1HD2  LEU  52          1HD2      LEU  52  -7.527   1.203   0.615
  390   2HD2  LEU  52          2HD2      LEU  52  -8.175   0.512  -0.874
  391   3HD2  LEU  52          3HD2      LEU  52  -9.221   1.485   0.188
  392    H    LYS  53           HN       LYS  53  -6.195   5.562  -2.617
  393    HA   LYS  53           HA       LYS  53  -5.676   4.944  -5.442
  394   1HB   LYS  53          2HB       LYS  53  -5.186   7.132  -3.933
  395   2HB   LYS  53          1HB       LYS  53  -3.684   6.302  -3.681
  396   1HG   LYS  53          2HG       LYS  53  -4.840   6.934  -6.414
  397   2HG   LYS  53          1HG       LYS  53  -3.569   7.839  -5.578
  398   1HD   LYS  53          2HD       LYS  53  -2.108   5.834  -5.567
  399   2HD   LYS  53          1HD       LYS  53  -3.345   4.911  -6.447
  400   1HE   LYS  53          1HE       LYS  53  -3.220   6.504  -8.335
  401   2HE   LYS  53          2HE       LYS  53  -1.991   7.446  -7.470
  402   1HZ   LYS  53          1HZ       LYS  53  -1.720   4.647  -8.315
  403   2HZ   LYS  53          2HZ       LYS  53  -1.025   5.950  -9.046
  404   3HZ   LYS  53          3HZ       LYS  53  -0.575   5.527  -7.519
  405    H    CYS  54           H        CYS  54  -5.477   2.701  -5.435
  406    HA   CYS  54           HA       CYS  54  -3.867   1.337  -3.457
  407   1HB   CYS  54          1HB       CYS  54  -5.839   0.340  -4.609
  408   2HB   CYS  54          2HB       CYS  54  -4.881   0.290  -6.112
  409    HG   CYS  54           HG       CYS  54  -4.799  -2.050  -5.154
  410    H    VAL  55           H        VAL  55  -1.686   0.881  -3.498
  411    HA   VAL  55           HA       VAL  55  -0.190   0.954  -6.017
  412    HB   VAL  55           HB       VAL  55   1.448   2.553  -4.398
  413   1HG1  VAL  55          1HG1      VAL  55   0.273   4.455  -3.653
  414   2HG1  VAL  55          2HG1      VAL  55  -1.274   3.849  -4.257
  415   3HG1  VAL  55          3HG1      VAL  55  -0.488   3.068  -2.864
  416   1HG2  VAL  55          1HG2      VAL  55  -0.469   3.283  -6.631
  417   2HG2  VAL  55          2HG2      VAL  55   1.221   2.751  -6.756
  418   3HG2  VAL  55          3HG2      VAL  55   0.836   4.323  -6.040
  419    H    LYS  56           HN       LYS  56   2.209   0.642  -5.559
  420    HA   LYS  56           HA       LYS  56   2.673  -1.314  -3.384
  421   1HB   LYS  56          1HB       LYS  56   2.312  -1.727  -6.292
  422   2HB   LYS  56          2HB       LYS  56   3.796  -2.446  -5.685
  423   1HG   LYS  56          2HG       LYS  56   2.581  -3.657  -3.940
  424   2HG   LYS  56          1HG       LYS  56   1.055  -2.892  -4.428
  425   1HD   LYS  56          2HD       LYS  56   2.725  -4.758  -6.176
  426   2HD   LYS  56          1HD       LYS  56   1.328  -5.240  -5.197
  427   1HE   LYS  56          2HE       LYS  56  -0.073  -3.544  -6.483
  428   2HE   LYS  56          1HE       LYS  56   1.310  -3.321  -7.569
  429   1HZ   LYS  56          1HZ       LYS  56   1.199  -5.682  -8.037
  430   2HZ   LYS  56          2HZ       LYS  56  -0.186  -4.891  -8.447
  431   3HZ   LYS  56          3HZ       LYS  56  -0.152  -5.826  -7.098
  432    H    LEU  57           H        LEU  57   4.513  -0.665  -2.344
  433    HA   LEU  57           HA       LEU  57   6.591   0.820  -3.910
  434   1HB   LEU  57          1HB       LEU  57   5.636   1.863  -1.789
  435   2HB   LEU  57          2HB       LEU  57   6.558   0.649  -0.892
  436    HG   LEU  57           HG       LEU  57   8.091   2.235  -2.898
  437   1HD1  LEU  57          1HD2      LEU  57   8.575   0.992  -0.148
  438   2HD1  LEU  57          2HD2      LEU  57   9.673   2.143  -0.865
  439   3HD1  LEU  57          3HD2      LEU  57   9.363   0.598  -1.677
  440   1HD2  LEU  57          1HD1      LEU  57   6.769   3.959  -1.830
  441   2HD2  LEU  57          2HD1      LEU  57   7.148   3.316  -0.215
  442   3HD2  LEU  57          3HD1      LEU  57   8.424   4.032  -1.227
  443    H    ASN  58           H        ASN  58   8.361  -0.274  -4.556
  444    HA   ASN  58           HA       ASN  58   8.941  -2.872  -3.804
  445   1HB   ASN  58          2HB       ASN  58   9.415  -1.531  -5.939
  446   2HB   ASN  58          1HB       ASN  58  10.753  -0.759  -5.081
  447   1HD2  ASN  58          1HD2      ASN  58   9.580  -3.525  -6.709
  448   2HD2  ASN  58          2HD2      ASN  58  10.817  -4.650  -6.248
  449    H    THR  59           H        THR  59   9.641  -3.418  -1.771
  450    HA   THR  59           HA       THR  59  11.312  -1.646  -0.166
  451    HB   THR  59           HB       THR  59  10.549  -4.502   0.491
  452    HG1  THR  59           HG1      THR  59   8.650  -3.616  -0.173
  453   1HG2  THR  59          1HG2      THR  59  10.372  -3.592   2.778
  454   2HG2  THR  59          2HG2      THR  59  10.733  -1.967   2.172
  455   3HG2  THR  59          3HG2      THR  59  11.978  -3.234   2.121
  456    H    ASP  60           HN       ASP  60  12.684  -2.273  -2.523
  457    HA   ASP  60           HA       ASP  60  15.099  -3.542  -1.405
  458   1HB   ASP  60          1HB       ASP  60  13.579  -5.308  -2.538
  459   2HB   ASP  60          2HB       ASP  60  13.993  -4.542  -4.067
  460    H    GLU  61           HN       GLU  61  13.501  -2.280  -4.293
  461    HA   GLU  61           HA       GLU  61  15.733  -0.637  -5.210
  462   1HB   GLU  61          2HB       GLU  61  14.159  -1.766  -6.737
  463   2HB   GLU  61          1HB       GLU  61  12.805  -0.886  -6.016
  464   1HG   GLU  61          2HG       GLU  61  13.674   1.248  -6.872
  465   2HG   GLU  61          1HG       GLU  61  15.091   0.407  -7.523
  466    H    SER  62           H        SER  62  13.052  -0.276  -2.966
  467    HA   SER  62           HA       SER  62  13.750   2.558  -2.543
  468   1HB   SER  62          2HB       SER  62  11.057   1.340  -3.265
  469   2HB   SER  62          1HB       SER  62  11.091   2.816  -2.343
  470    HG   SER  62           HG       SER  62  12.921   2.694  -4.465
  471    HA   PRO  63           HA       PRO  63  13.597   0.177   1.398
  472   1HB   PRO  63          1HB       PRO  63  16.233   0.302   2.041
  473   2HB   PRO  63          2HB       PRO  63  15.589  -0.958   0.939
  474   1HG   PRO  63          1HG       PRO  63  16.958   1.655   0.217
  475   2HG   PRO  63          2HG       PRO  63  17.276   0.026  -0.449
  476   1HD   PRO  63          2HD       PRO  63  15.653   1.775  -1.770
  477   2HD   PRO  63          1HD       PRO  63  15.256   0.064  -1.696
  478    H    ASN  64           H        ASN  64  15.059   3.126   0.217
  479    HA   ASN  64           HA       ASN  64  15.751   4.585   2.479
  480   1HB   ASN  64          1HB       ASN  64  14.303   5.573  -0.014
  481   2HB   ASN  64          2HB       ASN  64  15.071   6.623   1.187
  482   1HD2  ASN  64          2HD2      ASN  64  15.765   6.468  -1.702
  483   2HD2  ASN  64          1HD2      ASN  64  17.428   5.918  -1.705
  484    H    VAL  65           H        VAL  65  12.555   4.984   0.981
  485    HA   VAL  65           HA       VAL  65  11.354   6.224   3.217
  486    HB   VAL  65           HB       VAL  65  10.332   4.747   0.765
  487   1HG1  VAL  65          1HG2      VAL  65   8.597   4.430   2.498
  488   2HG1  VAL  65          2HG2      VAL  65   8.614   6.180   2.819
  489   3HG1  VAL  65          3HG2      VAL  65   8.092   5.550   1.237
  490   1HG2  VAL  65          1HG1      VAL  65  11.454   6.954   0.513
  491   2HG2  VAL  65          2HG1      VAL  65   9.719   7.093   0.151
  492   3HG2  VAL  65          3HG1      VAL  65  10.358   7.660   1.705
  493    H    ALA  66           H        ALA  66  11.485   2.813   2.241
  494    HA   ALA  66           HA       ALA  66   9.780   1.814   4.228
  495   1HB   ALA  66          1HB       ALA  66  10.853  -0.340   3.862
  496   2HB   ALA  66          2HB       ALA  66  10.775   0.506   2.304
  497   3HB   ALA  66          3HB       ALA  66  12.301   0.425   3.219
  498    H    SER  67           H        SER  67  13.241   2.631   4.463
  499    HA   SER  67           HA       SER  67  13.588   1.646   7.156
  500   1HB   SER  67          1HB       SER  67  15.223   3.713   5.611
  501   2HB   SER  67          2HB       SER  67  15.715   2.835   7.070
  502    HG   SER  67           HG       SER  67  15.087   1.701   4.535
  503    H    GLU  68           HN       GLU  68  12.965   4.832   5.695
  504    HA   GLU  68           HA       GLU  68  13.011   6.412   8.049
  505   1HB   GLU  68          2HB       GLU  68  11.332   6.684   5.523
  506   2HB   GLU  68          1HB       GLU  68  11.454   7.928   6.763
  507   1HG   GLU  68          1HG       GLU  68  13.761   8.317   6.349
  508   2HG   GLU  68          2HG       GLU  68  13.955   6.835   5.415
  509    H    TYR  69           H        TYR  69  10.262   4.637   6.558
  510    HA   TYR  69           HA       TYR  69   8.451   5.379   8.744
  511   1HB   TYR  69          2HB       TYR  69   8.273   3.697   6.239
  512   2HB   TYR  69          1HB       TYR  69   7.087   3.491   7.514
  513    HD1  TYR  69           HD1      TYR  69   8.570   6.012   5.192
  514    HD2  TYR  69           HD2      TYR  69   5.446   5.210   8.045
  515    HE1  TYR  69           HE1      TYR  69   7.587   8.238   4.742
  516    HE2  TYR  69           HE2      TYR  69   4.476   7.439   7.611
  517    HH   TYR  69           HH       TYR  69   4.758   9.480   6.513
  518    H    GLY  70           H        GLY  70  10.494   2.570   7.997
  519   1HA   GLY  70          1HA       GLY  70  11.376   1.155   9.667
  520   2HA   GLY  70          2HA       GLY  70  10.109   1.653  10.796
  521    H    ILE  71           H        ILE  71  10.188   0.328   7.491
  522    HA   ILE  71           HA       ILE  71   7.847  -1.322   7.867
  523    HB   ILE  71           HB       ILE  71  10.016  -1.222   5.744
  524   1HG1  ILE  71          1HG1      ILE  71   8.629   0.861   6.038
  525   2HG1  ILE  71          2HG1      ILE  71   8.467   0.069   4.464
  526   1HG2  ILE  71          1HG2      ILE  71   9.044  -3.370   5.473
  527   2HG2  ILE  71          2HG2      ILE  71   7.409  -2.770   5.816
  528   3HG2  ILE  71          3HG2      ILE  71   8.229  -2.343   4.295
  529   1HD1  ILE  71          1HD1      ILE  71   6.283  -0.839   5.123
  530   2HD1  ILE  71          2HD1      ILE  71   6.451  -0.074   6.725
  531   3HD1  ILE  71          3HD1      ILE  71   6.337   0.921   5.271
  532    H    ARG  72           HN       ARG  72   8.191  -2.549   9.683
  533    HA   ARG  72           HA       ARG  72  10.450  -4.327   9.964
  534   1HB   ARG  72          1HB       ARG  72   9.214  -3.400  11.859
  535   2HB   ARG  72          2HB       ARG  72   7.748  -4.274  11.379
  536   1HG   ARG  72          1HG       ARG  72   8.808  -6.423  11.810
  537   2HG   ARG  72          2HG       ARG  72  10.391  -5.657  12.028
  538   1HD   ARG  72          2HD       ARG  72   9.529  -4.467  14.028
  539   2HD   ARG  72          1HD       ARG  72   7.933  -5.221  13.780
  540    HE   ARG  72           HE       ARG  72   9.875  -7.276  13.900
  541   1HH1  ARG  72          1HH1      ARG  72   8.416  -4.856  16.011
  542   2HH1  ARG  72          2HH1      ARG  72   8.629  -5.782  17.472
  543   1HH2  ARG  72          2HH2      ARG  72  10.166  -8.509  15.795
  544   2HH2  ARG  72          1HH2      ARG  72   9.645  -7.903  17.343
  545    H    SER  73           H        SER  73  10.322  -5.176   7.827
  546    HA   SER  73           HA       SER  73  10.241  -7.047   6.514
  547   1HB   SER  73          2HB       SER  73   9.882  -8.456   8.569
  548   2HB   SER  73          1HB       SER  73   8.130  -8.260   8.364
  549    HG   SER  73           HG       SER  73   8.921 -10.160   7.348
  550    H    ILE  74           H        ILE  74   8.161  -8.399   5.473
  551    HA   ILE  74           HA       ILE  74   6.051  -6.514   4.756
  552    HB   ILE  74           HB       ILE  74   6.597  -6.800   2.268
  553   1HG1  ILE  74          1HG1      ILE  74   9.372  -7.552   3.192
  554   2HG1  ILE  74          2HG1      ILE  74   8.183  -8.694   2.538
  555   1HG2  ILE  74          1HG2      ILE  74   7.029  -4.718   3.670
  556   2HG2  ILE  74          2HG2      ILE  74   8.009  -4.880   2.219
  557   3HG2  ILE  74          3HG2      ILE  74   8.720  -5.257   3.796
  558   1HD1  ILE  74          1HD1      ILE  74   7.955  -7.218   0.505
  559   2HD1  ILE  74          2HD1      ILE  74   9.340  -6.278   1.102
  560   3HD1  ILE  74          3HD1      ILE  74   9.530  -7.977   0.688
  561    HA   PRO  75           HA       PRO  75   4.456  -6.885   2.550
  562   1HB   PRO  75          1HB       PRO  75   1.771  -7.400   2.886
  563   2HB   PRO  75          2HB       PRO  75   2.793  -8.025   1.586
  564   1HG   PRO  75          1HG       PRO  75   1.952  -9.340   4.166
  565   2HG   PRO  75          2HG       PRO  75   2.034 -10.098   2.555
  566   1HD   PRO  75          2HD       PRO  75   3.977 -10.415   4.501
  567   2HD   PRO  75          1HD       PRO  75   4.414 -10.389   2.778
  568    H    THR  76           H        THR  76   3.882  -5.019   3.232
  569    HA   THR  76           HA       THR  76   2.699  -4.552   5.907
  570    HB   THR  76           HB       THR  76   5.317  -3.360   4.956
  571    HG1  THR  76           HG1      THR  76   6.066  -4.688   6.424
  572   1HG2  THR  76          1HG2      THR  76   3.391  -2.470   7.150
  573   2HG2  THR  76          2HG2      THR  76   4.065  -1.498   5.832
  574   3HG2  THR  76          3HG2      THR  76   5.116  -2.056   7.150
  575    H    ILE  77           H        ILE  77   0.831  -3.970   5.059
  576    HA   ILE  77           HA       ILE  77   0.694  -2.149   2.726
  577    HB   ILE  77           HB       ILE  77  -1.353  -3.808   4.234
  578   1HG1  ILE  77          1HG1      ILE  77  -0.347  -3.879   1.356
  579   2HG1  ILE  77          2HG1      ILE  77   0.285  -4.918   2.638
  580   1HG2  ILE  77          1HG2      ILE  77  -2.425  -1.693   3.555
  581   2HG2  ILE  77          2HG2      ILE  77  -1.728  -1.846   1.931
  582   3HG2  ILE  77          3HG2      ILE  77  -2.972  -2.987   2.497
  583   1HD1  ILE  77          1HD1      ILE  77  -2.531  -4.964   1.528
  584   2HD1  ILE  77          2HD1      ILE  77  -1.967  -5.893   2.951
  585   3HD1  ILE  77          3HD1      ILE  77  -1.261  -6.181   1.350
  586    H    MET  78           H        MET  78   0.933  -0.088   3.140
  587    HA   MET  78           HA       MET  78   0.096   0.999   5.795
  588   1HB   MET  78          1HB       MET  78   1.898   2.050   3.600
  589   2HB   MET  78          2HB       MET  78   1.318   3.015   4.979
  590   1HG   MET  78          1HG       MET  78   3.007   0.514   5.262
  591   2HG   MET  78          2HG       MET  78   3.605   2.176   5.223
  592   1HE   MET  78          1HE       MET  78   4.215   1.641   8.943
  593   2HE   MET  78          2HE       MET  78   4.411   0.381   7.709
  594   3HE   MET  78          3HE       MET  78   4.903   2.061   7.357
  595    H    VAL  79           H        VAL  79  -1.388   2.649   5.832
  596    HA   VAL  79           HA       VAL  79  -2.815   3.246   3.266
  597    HB   VAL  79           HB       VAL  79  -3.979   3.153   6.057
  598   1HG1  VAL  79          1HG1      VAL  79  -4.472   1.305   3.685
  599   2HG1  VAL  79          2HG1      VAL  79  -3.571   0.872   5.153
  600   3HG1  VAL  79          3HG1      VAL  79  -5.291   1.237   5.259
  601   1HG2  VAL  79          1HG2      VAL  79  -6.134   3.593   4.976
  602   2HG2  VAL  79          2HG2      VAL  79  -5.019   4.907   4.604
  603   3HG2  VAL  79          3HG2      VAL  79  -5.355   3.666   3.388
  604    H    PHE  80           H        PHE  80  -2.937   5.451   2.820
  605    HA   PHE  80           HA       PHE  80  -2.083   7.390   4.920
  606   1HB   PHE  80          1HB       PHE  80  -0.986   7.229   2.088
  607   2HB   PHE  80          2HB       PHE  80  -0.855   8.646   3.107
  608    HD1  PHE  80           HD1      PHE  80   0.875   8.881   4.720
  609    HD2  PHE  80           HD2      PHE  80   0.186   5.078   2.812
  610    HE1  PHE  80           HE1      PHE  80   2.999   8.041   5.633
  611    HE2  PHE  80           HE2      PHE  80   2.454   4.340   3.517
  612    HZ   PHE  80           HZ       PHE  80   3.762   5.705   5.104
  613    H    LYS  81           HN       LYS  81  -2.789   9.577   4.417
  614    HA   LYS  81           HA       LYS  81  -4.779   9.978   2.320
  615   1HB   LYS  81          1HB       LYS  81  -6.721  10.173   3.686
  616   2HB   LYS  81          2HB       LYS  81  -6.034   8.588   3.968
  617   1HG   LYS  81          2HG       LYS  81  -6.339  10.900   5.837
  618   2HG   LYS  81          1HG       LYS  81  -6.707   9.196   6.064
  619   1HD   LYS  81          1HD       LYS  81  -4.185   8.775   6.135
  620   2HD   LYS  81          2HD       LYS  81  -3.956  10.524   6.177
  621   1HE   LYS  81          2HE       LYS  81  -5.549   8.919   8.229
  622   2HE   LYS  81          1HE       LYS  81  -3.899   9.529   8.439
  623   1HZ   LYS  81          1HZ       LYS  81  -4.754  11.747   8.160
  624   2HZ   LYS  81          2HZ       LYS  81  -5.478  10.982   9.429
  625   3HZ   LYS  81          3HZ       LYS  81  -6.291  11.172   8.009
  626    H    GLY  82           H        GLY  82  -3.113  11.656   1.898
  627   1HA   GLY  82          2HA       GLY  82  -2.853  13.994   1.937
  628   2HA   GLY  82          1HA       GLY  82  -3.890  14.043   3.388
  629    H    GLY  83           H        GLY  83  -0.629  12.919   2.378
  630   1HA   GLY  83          2HA       GLY  83   1.399  13.162   3.396
  631   2HA   GLY  83          1HA       GLY  83   0.669  14.277   4.541
  632    H    LYS  84           HN       LYS  84  -1.054  12.874   5.941
  633    HA   LYS  84           HA       LYS  84   0.721  11.328   7.639
  634   1HB   LYS  84          2HB       LYS  84  -2.249  11.832   7.985
  635   2HB   LYS  84          1HB       LYS  84  -1.083  11.424   9.243
  636   1HG   LYS  84          2HG       LYS  84  -1.176  14.031   7.644
  637   2HG   LYS  84          1HG       LYS  84  -1.666  13.797   9.326
  638   1HD   LYS  84          2HD       LYS  84   0.694  13.104   9.882
  639   2HD   LYS  84          1HD       LYS  84   1.177  13.513   8.227
  640   1HE   LYS  84          1HE       LYS  84  -0.044  15.449  10.250
  641   2HE   LYS  84          2HE       LYS  84   1.668  15.344   9.812
  642   1HZ   LYS  84          1HZ       LYS  84   1.071  15.916   7.568
  643   2HZ   LYS  84          2HZ       LYS  84   0.588  17.083   8.627
  644   3HZ   LYS  84          3HZ       LYS  84  -0.518  16.046   7.984
  645    H    LYS  85           HN       LYS  85   0.239   9.380   8.563
  646    HA   LYS  85           HA       LYS  85  -0.618   7.276   6.685
  647   1HB   LYS  85          2HB       LYS  85   1.624   7.213   7.800
  648   2HB   LYS  85          1HB       LYS  85   0.818   7.192   9.360
  649   1HG   LYS  85          1HG       LYS  85  -0.395   5.016   8.059
  650   2HG   LYS  85          2HG       LYS  85   1.192   5.060   7.318
  651   1HD   LYS  85          1HD       LYS  85   1.560   3.674   9.118
  652   2HD   LYS  85          2HD       LYS  85   2.090   5.204   9.806
  653   1HE   LYS  85          1HE       LYS  85  -0.665   3.892  10.177
  654   2HE   LYS  85          2HE       LYS  85   0.660   3.837  11.345
  655   1HZ   LYS  85          1HZ       LYS  85   0.500   6.211  11.544
  656   2HZ   LYS  85          2HZ       LYS  85  -0.927   5.479  11.921
  657   3HZ   LYS  85          3HZ       LYS  85  -0.762   6.261  10.487
  658    H    CYS  86           H        CYS  86  -2.493   6.194   7.043
  659    HA   CYS  86           HA       CYS  86  -4.227   6.889   9.342
  660   1HB   CYS  86          2HB       CYS  86  -5.096   6.822   6.958
  661   2HB   CYS  86          1HB       CYS  86  -4.792   5.090   6.944
  662    HG   CYS  86           HG       CYS  86  -7.105   4.858   7.501
  663    H    GLU  87           HN       GLU  87  -3.031   3.980   7.652
  664    HA   GLU  87           HA       GLU  87  -3.086   2.400  10.198
  665   1HB   GLU  87          2HB       GLU  87  -4.170   1.495   7.508
  666   2HB   GLU  87          1HB       GLU  87  -4.096   0.501   8.946
  667   1HG   GLU  87          2HG       GLU  87  -5.911   1.445   9.918
  668   2HG   GLU  87          1HG       GLU  87  -5.668   3.041   9.226
  669    H    THR  88           H        THR  88  -2.015   0.314   9.968
  670    HA   THR  88           HA       THR  88  -0.035  -0.070   7.857
  671    HB   THR  88           HB       THR  88   1.162   1.205   9.612
  672    HG1  THR  88           HG1      THR  88   2.207  -0.501   8.472
  673   1HG2  THR  88          1HG2      THR  88  -0.187   0.518  11.611
  674   2HG2  THR  88          2HG2      THR  88   1.564   0.361  11.822
  675   3HG2  THR  88          3HG2      THR  88   0.589  -1.082  11.535
  676    H    ILE  89           H        ILE  89  -0.340  -2.188   7.248
  677    HA   ILE  89           HA       ILE  89  -1.410  -4.137   9.263
  678    HB   ILE  89           HB       ILE  89  -2.169  -3.871   6.326
  679   1HG1  ILE  89          2HG1      ILE  89  -3.792  -3.283   8.847
  680   2HG1  ILE  89          1HG1      ILE  89  -3.153  -2.068   7.731
  681   1HG2  ILE  89          1HG2      ILE  89  -2.119  -6.221   7.190
  682   2HG2  ILE  89          2HG2      ILE  89  -3.760  -5.691   6.848
  683   3HG2  ILE  89          3HG2      ILE  89  -3.185  -5.738   8.525
  684   1HD1  ILE  89          1HD1      ILE  89  -4.503  -3.025   5.889
  685   2HD1  ILE  89          2HD1      ILE  89  -5.300  -4.092   7.078
  686   3HD1  ILE  89          3HD1      ILE  89  -5.443  -2.335   7.225
  687    H    ILE  90           H        ILE  90   0.360  -5.284   9.721
  688    HA   ILE  90           HA       ILE  90   2.351  -5.947   7.629
  689    HB   ILE  90           HB       ILE  90   2.501  -6.137  10.666
  690   1HG1  ILE  90          1HG1      ILE  90   3.570  -4.040   8.735
  691   2HG1  ILE  90          2HG1      ILE  90   2.306  -3.791   9.946
  692   1HG2  ILE  90          1HG2      ILE  90   4.020  -7.724   9.474
  693   2HG2  ILE  90          2HG2      ILE  90   4.927  -6.462  10.280
  694   3HG2  ILE  90          3HG2      ILE  90   4.673  -6.375   8.525
  695   1HD1  ILE  90          1HD1      ILE  90   5.254  -4.270  10.468
  696   2HD1  ILE  90          2HD1      ILE  90   3.999  -4.339  11.735
  697   3HD1  ILE  90          3HD1      ILE  90   4.280  -2.839  10.827
  698    H    GLY  91           H        GLY  91   2.649  -8.035   6.994
  699   1HA   GLY  91          2HA       GLY  91   2.902 -10.356   7.561
  700   2HA   GLY  91          1HA       GLY  91   1.506 -10.279   8.639
  701    H    ALA  92           H        ALA  92   1.891 -12.193   6.569
  702    HA   ALA  92           HA       ALA  92   0.459 -11.587   4.177
  703   1HB   ALA  92          1HB       ALA  92   2.213 -13.338   4.456
  704   2HB   ALA  92          2HB       ALA  92   1.125 -14.248   5.518
  705   3HB   ALA  92          3HB       ALA  92   0.698 -14.012   3.813
  706    H    VAL  93           H        VAL  93  -1.360 -10.616   5.938
  707    HA   VAL  93           HA       VAL  93  -3.382 -12.692   6.531
  708    HB   VAL  93           HB       VAL  93  -4.731 -10.878   7.381
  709   1HG1  VAL  93          1HG2      VAL  93  -2.479  -8.978   6.581
  710   2HG1  VAL  93          2HG2      VAL  93  -4.093  -9.085   5.847
  711   3HG1  VAL  93          3HG2      VAL  93  -3.921  -8.573   7.531
  712   1HG2  VAL  93          1HG1      VAL  93  -3.344 -10.254   9.286
  713   2HG2  VAL  93          2HG1      VAL  93  -3.027 -11.940   8.840
  714   3HG2  VAL  93          3HG1      VAL  93  -1.864 -10.670   8.401
  715    HA   PRO  94           HA       PRO  94  -5.024 -12.425   2.496
  716   1HB   PRO  94          1HB       PRO  94  -7.704 -13.049   2.787
  717   2HB   PRO  94          2HB       PRO  94  -6.358 -14.207   2.918
  718   1HG   PRO  94          1HG       PRO  94  -7.874 -12.828   5.136
  719   2HG   PRO  94          2HG       PRO  94  -7.348 -14.527   5.064
  720   1HD   PRO  94          1HD       PRO  94  -5.976 -12.581   6.459
  721   2HD   PRO  94          2HD       PRO  94  -5.159 -13.964   5.733
  722    H    LYS  95           HN       LYS  95  -6.243 -11.198   1.034
  723    HA   LYS  95           HA       LYS  95  -6.346  -8.505   1.393
  724   1HB   LYS  95          1HB       LYS  95  -6.564  -9.790  -0.779
  725   2HB   LYS  95          2HB       LYS  95  -8.227 -10.134  -0.389
  726   1HG   LYS  95          2HG       LYS  95  -8.078  -8.229  -1.944
  727   2HG   LYS  95          1HG       LYS  95  -8.876  -7.833  -0.451
  728   1HD   LYS  95          1HD       LYS  95  -7.525  -6.000  -1.107
  729   2HD   LYS  95          2HD       LYS  95  -6.837  -6.629   0.358
  730   1HE   LYS  95          2HE       LYS  95  -5.773  -7.353  -2.423
  731   2HE   LYS  95          1HE       LYS  95  -5.232  -5.935  -1.517
  732   1HZ   LYS  95          1HZ       LYS  95  -4.500  -7.354   0.233
  733   2HZ   LYS  95          2HZ       LYS  95  -4.964  -8.700  -0.595
  734   3HZ   LYS  95          3HZ       LYS  95  -3.768  -7.742  -1.190
  735    H    ALA  96           H        ALA  96  -9.043 -10.736   1.692
  736    HA   ALA  96           HA       ALA  96 -11.209  -9.163   2.330
  737   1HB   ALA  96          1HB       ALA  96 -11.272 -11.630   2.317
  738   2HB   ALA  96          2HB       ALA  96 -10.360 -11.675   3.844
  739   3HB   ALA  96          3HB       ALA  96 -11.997 -10.987   3.804
  740    H    THR  97           H        THR  97  -8.495  -9.900   4.564
  741    HA   THR  97           HA       THR  97  -9.595  -8.659   6.888
  742    HB   THR  97           HB       THR  97  -6.612  -8.838   6.333
  743    HG1  THR  97           HG1      THR  97  -7.120 -10.732   5.571
  744   1HG2  THR  97          1HG2      THR  97  -6.554  -9.663   8.632
  745   2HG2  THR  97          2HG2      THR  97  -7.429  -8.117   8.583
  746   3HG2  THR  97          3HG2      THR  97  -8.324  -9.655   8.719
  747    H    ILE  98           H        ILE  98  -7.380  -7.587   4.302
  748    HA   ILE  98           HA       ILE  98  -6.822  -4.951   5.274
  749    HB   ILE  98           HB       ILE  98  -6.589  -6.392   2.610
  750   1HG1  ILE  98          1HG1      ILE  98  -4.271  -5.739   2.802
  751   2HG1  ILE  98          2HG1      ILE  98  -4.577  -4.881   4.319
  752   1HG2  ILE  98          1HG2      ILE  98  -6.197  -3.395   3.005
  753   2HG2  ILE  98          2HG2      ILE  98  -5.620  -4.336   1.612
  754   3HG2  ILE  98          3HG2      ILE  98  -7.347  -4.167   1.885
  755   1HD1  ILE  98          1HD1      ILE  98  -3.561  -7.134   4.601
  756   2HD1  ILE  98          2HD1      ILE  98  -4.989  -7.869   3.843
  757   3HD1  ILE  98          3HD1      ILE  98  -5.137  -7.015   5.403
  758    H    VAL  99           H        VAL  99  -9.199  -6.174   2.898
  759    HA   VAL  99           HA       VAL  99 -10.490  -3.764   2.263
  760    HB   VAL  99           HB       VAL  99 -11.428  -6.654   2.392
  761   1HG1  VAL  99          1HG1      VAL  99 -12.920  -4.292   1.197
  762   2HG1  VAL  99          2HG1      VAL  99 -13.477  -5.299   2.552
  763   3HG1  VAL  99          3HG1      VAL  99 -13.326  -5.996   0.936
  764   1HG2  VAL  99          1HG2      VAL  99  -9.641  -5.993   0.729
  765   2HG2  VAL  99          2HG2      VAL  99 -11.139  -6.553  -0.037
  766   3HG2  VAL  99          3HG2      VAL  99 -10.771  -4.818   0.041
  767    H    GLN 100           H        GLN 100 -11.522  -6.196   4.748
  768    HA   GLN 100           HA       GLN 100 -13.644  -4.656   5.799
  769   1HB   GLN 100          2HB       GLN 100 -11.789  -6.723   7.040
  770   2HB   GLN 100          1HB       GLN 100 -13.151  -6.020   7.928
  771   1HG   GLN 100          1HG       GLN 100 -14.765  -6.829   6.376
  772   2HG   GLN 100          2HG       GLN 100 -13.539  -7.331   5.206
  773   1HE2  GLN 100          1HE2      GLN 100 -11.905  -8.932   6.030
  774   2HE2  GLN 100          2HE2      GLN 100 -12.508 -10.245   7.056
  775    H    THR 101           H        THR 101 -10.214  -4.754   6.872
  776    HA   THR 101           HA       THR 101 -10.560  -2.915   9.015
  777    HB   THR 101           HB       THR 101  -8.033  -3.389   7.373
  778    HG1  THR 101           HG1      THR 101  -8.816  -5.340   8.125
  779   1HG2  THR 101          1HG2      THR 101  -6.895  -2.874   9.512
  780   2HG2  THR 101          2HG2      THR 101  -8.460  -2.537  10.278
  781   3HG2  THR 101          3HG2      THR 101  -7.859  -1.489   8.977
  782    H    VAL 102           H        VAL 102  -9.337  -2.249   5.650
  783    HA   VAL 102           HA       VAL 102  -9.031   0.518   6.150
  784    HB   VAL 102           HB       VAL 102  -8.204  -1.059   4.207
  785   1HG1  VAL 102          1HG2      VAL 102  -7.558   0.953   2.949
  786   2HG1  VAL 102          2HG2      VAL 102  -7.475   1.282   4.684
  787   3HG1  VAL 102          3HG2      VAL 102  -8.846   1.886   3.742
  788   1HG2  VAL 102          1HG1      VAL 102 -10.366  -1.464   3.133
  789   2HG2  VAL 102          2HG1      VAL 102  -9.224  -0.655   2.056
  790   3HG2  VAL 102          3HG1      VAL 102 -10.537   0.278   2.796
  791    H    GLU 103           HN       GLU 103 -11.774  -1.325   4.855
  792    HA   GLU 103           HA       GLU 103 -13.422   0.951   4.369
  793   1HB   GLU 103          1HB       GLU 103 -14.076  -1.963   4.966
  794   2HB   GLU 103          2HB       GLU 103 -15.294  -0.741   4.567
  795   1HG   GLU 103          2HG       GLU 103 -14.245  -0.219   2.450
  796   2HG   GLU 103          1HG       GLU 103 -12.897  -1.311   2.772
  797    H    LYS 104           HN       LYS 104 -13.105  -1.093   7.280
  798    HA   LYS 104           HA       LYS 104 -15.001   0.244   8.908
  799   1HB   LYS 104          2HB       LYS 104 -14.078  -1.758   9.699
  800   2HB   LYS 104          1HB       LYS 104 -12.412  -1.240   9.511
  801   1HG   LYS 104          1HG       LYS 104 -14.144   0.288  11.440
  802   2HG   LYS 104          2HG       LYS 104 -13.592  -1.341  11.871
  803   1HD   LYS 104          2HD       LYS 104 -11.248  -0.717  11.553
  804   2HD   LYS 104          1HD       LYS 104 -11.711   0.927  11.092
  805   1HE   LYS 104          1HE       LYS 104 -12.785   1.263  13.301
  806   2HE   LYS 104          2HE       LYS 104 -12.260  -0.360  13.793
  807   1HZ   LYS 104          1HZ       LYS 104 -10.494   1.852  13.001
  808   2HZ   LYS 104          2HZ       LYS 104 -10.765   1.336  14.543
  809   3HZ   LYS 104          3HZ       LYS 104 -10.001   0.350  13.466
  810    H    TYR 105           H        TYR 105 -11.601   1.053   8.210
  811    HA   TYR 105           HA       TYR 105 -11.556   3.387   9.935
  812   1HB   TYR 105          2HB       TYR 105  -9.790   2.042   7.948
  813   2HB   TYR 105          1HB       TYR 105  -9.497   3.761   8.200
  814    HD1  TYR 105           HD1      TYR 105  -8.699   4.623  10.317
  815    HD2  TYR 105           HD2      TYR 105  -9.312   0.406   9.737
  816    HE1  TYR 105           HE1      TYR 105  -7.284   4.136  12.304
  817    HE2  TYR 105           HE2      TYR 105  -7.952  -0.083  11.731
  818    HH   TYR 105           HH       TYR 105  -6.643   0.803  13.422
  819    H    LEU 106           H        LEU 106 -12.109   2.965   6.426
  820    HA   LEU 106           HA       LEU 106 -12.530   5.893   6.071
  821   1HB   LEU 106          2HB       LEU 106 -12.267   3.611   4.064
  822   2HB   LEU 106          1HB       LEU 106 -12.513   5.316   3.663
  823    HG   LEU 106           HG       LEU 106 -10.086   4.096   5.057
  824   1HD1  LEU 106          1HD2      LEU 106  -9.032   6.327   4.619
  825   2HD1  LEU 106          2HD2      LEU 106 -10.622   6.957   4.139
  826   3HD1  LEU 106          3HD2      LEU 106 -10.337   6.409   5.807
  827   1HD2  LEU 106          1HD1      LEU 106 -10.456   5.195   2.231
  828   2HD2  LEU 106          2HD1      LEU 106  -8.950   4.551   2.916
  829   3HD2  LEU 106          3HD1      LEU 106 -10.338   3.481   2.659
  830    H    ASN 107           H        ASN 107 -14.127   3.278   4.278
  831    HA   ASN 107           HA       ASN 107 -16.636   3.314   5.511
  832   1HB   ASN 107          1HB       ASN 107 -17.851   4.288   3.509
  833   2HB   ASN 107          2HB       ASN 107 -17.076   5.461   4.571
  834   1HD2  ASN 107          1HD2      ASN 107 -15.222   3.583   2.100
  835   2HD2  ASN 107          2HD2      ASN 107 -14.932   4.994   1.077
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -9.923   3.684  -7.253
    2   2H    MET   1          2H        MET   1  -9.512   2.082  -7.434
    3   3H    MET   1          3H        MET   1  -8.452   3.116  -6.778
    4    HA   MET   1           HA       MET   1  -9.371   3.238  -9.551
    5   1HB   MET   1          2HB       MET   1  -8.566   5.410  -8.281
    6   2HB   MET   1          1HB       MET   1  -6.972   4.662  -8.335
    7   1HG   MET   1          1HG       MET   1  -7.161   6.133 -10.252
    8   2HG   MET   1          2HG       MET   1  -7.201   4.504 -10.838
    9   1HE   MET   1          1HE       MET   1 -10.741   7.454 -10.830
   10   2HE   MET   1          2HE       MET   1  -9.049   7.853 -10.462
   11   3HE   MET   1          3HE       MET   1 -10.024   6.930  -9.293
   12    H    GLU   2           HN       GLU   2  -7.789   2.412 -11.097
   13    HA   GLU   2           HA       GLU   2  -6.580   0.004 -10.604
   14   1HB   GLU   2          2HB       GLU   2  -5.013   0.696 -12.518
   15   2HB   GLU   2          1HB       GLU   2  -6.740   0.666 -12.854
   16   1HG   GLU   2          1HG       GLU   2  -5.584   3.318 -11.961
   17   2HG   GLU   2          2HG       GLU   2  -5.122   2.727 -13.545
   18    H    ALA   3           H        ALA   3  -4.696  -0.758  -9.732
   19    HA   ALA   3           HA       ALA   3  -3.302   1.003  -7.939
   20   1HB   ALA   3          1HB       ALA   3  -2.698  -1.871  -8.738
   21   2HB   ALA   3          2HB       ALA   3  -3.783  -1.393  -7.415
   22   3HB   ALA   3          3HB       ALA   3  -2.049  -1.035  -7.313
   23    H    GLY   4           H        GLY   4  -0.990   1.313  -7.882
   24   1HA   GLY   4          1HA       GLY   4   0.423   1.175 -10.543
   25   2HA   GLY   4          2HA       GLY   4   0.535   2.542  -9.423
   26    H    ALA   5           H        ALA   5   2.898   1.961  -9.708
   27    HA   ALA   5           HA       ALA   5   3.785   0.180  -7.526
   28   1HB   ALA   5          1HB       ALA   5   5.683  -0.568  -8.920
   29   2HB   ALA   5          2HB       ALA   5   4.996   0.273 -10.327
   30   3HB   ALA   5          3HB       ALA   5   4.138  -1.109  -9.608
   31    H    VAL   6           H        VAL   6   5.682   1.113  -6.501
   32    HA   VAL   6           HA       VAL   6   6.510   3.792  -7.503
   33    HB   VAL   6           HB       VAL   6   6.361   4.473  -4.946
   34   1HG1  VAL   6          1HG1      VAL   6   4.053   2.499  -5.058
   35   2HG1  VAL   6          2HG1      VAL   6   5.573   2.227  -4.209
   36   3HG1  VAL   6          3HG1      VAL   6   4.517   3.562  -3.717
   37   1HG2  VAL   6          1HG2      VAL   6   3.998   4.454  -6.830
   38   2HG2  VAL   6          2HG2      VAL   6   4.096   5.386  -5.317
   39   3HG2  VAL   6          3HG2      VAL   6   5.233   5.709  -6.634
   40    H    ASN   7           H        ASN   7   8.216   4.705  -6.221
   41    HA   ASN   7           HA       ASN   7  10.183   2.861  -5.029
   42   1HB   ASN   7          2HB       ASN   7  10.915   3.024  -7.349
   43   2HB   ASN   7          1HB       ASN   7  10.540   4.760  -7.400
   44   1HD2  ASN   7          1HD2      ASN   7  12.833   2.343  -6.229
   45   2HD2  ASN   7          2HD2      ASN   7  14.103   3.494  -5.809
   46    H    ASP   8           HN       ASP   8  11.885   4.341  -4.117
   47    HA   ASP   8           HA       ASP   8  11.017   6.003  -2.093
   48   1HB   ASP   8          2HB       ASP   8  13.351   5.095  -2.536
   49   2HB   ASP   8          1HB       ASP   8  13.591   6.366  -3.724
   50    H    ASP   9           HN       ASP   9  12.098   6.995  -5.299
   51    HA   ASP   9           HA       ASP   9  11.619   9.800  -5.033
   52   1HB   ASP   9          1HB       ASP   9  12.962   8.914  -6.847
   53   2HB   ASP   9          2HB       ASP   9  11.621   7.983  -7.494
   54    H    THR  10           H        THR  10   9.643   7.617  -7.062
   55    HA   THR  10           HA       THR  10   7.518   9.387  -7.442
   56    HB   THR  10           HB       THR  10   6.266   7.238  -8.057
   57    HG1  THR  10           HG1      THR  10   7.771   5.436  -8.216
   58   1HG2  THR  10          1HG2      THR  10   7.684   6.841 -10.029
   59   2HG2  THR  10          2HG2      THR  10   7.580   8.574  -9.679
   60   3HG2  THR  10          3HG2      THR  10   9.045   7.673  -9.251
   61    H    PHE  11           H        PHE  11   7.943   7.087  -4.784
   62    HA   PHE  11           HA       PHE  11   5.542   6.923  -3.507
   63   1HB   PHE  11          1HB       PHE  11   7.711   6.055  -2.690
   64   2HB   PHE  11          2HB       PHE  11   8.217   7.663  -2.268
   65    HD1  PHE  11           HD1      PHE  11   5.851   4.931  -1.407
   66    HD2  PHE  11           HD2      PHE  11   7.583   8.683  -0.176
   67    HE1  PHE  11           HE1      PHE  11   5.013   4.565   0.901
   68    HE2  PHE  11           HE2      PHE  11   6.729   8.318   2.121
   69    HZ   PHE  11           HZ       PHE  11   5.438   6.269   2.661
   70    H    LYS  12           HN       LYS  12   7.761   9.609  -3.425
   71    HA   LYS  12           HA       LYS  12   6.504  11.403  -1.643
   72   1HB   LYS  12          1HB       LYS  12   7.992  11.979  -4.245
   73   2HB   LYS  12          2HB       LYS  12   7.456  13.193  -3.105
   74   1HG   LYS  12          2HG       LYS  12   8.900  12.215  -1.333
   75   2HG   LYS  12          1HG       LYS  12   9.272  10.828  -2.369
   76   1HD   LYS  12          2HD       LYS  12  11.159  12.313  -2.381
   77   2HD   LYS  12          1HD       LYS  12  10.420  12.277  -3.989
   78   1HE   LYS  12          1HE       LYS  12   9.309  14.451  -3.548
   79   2HE   LYS  12          2HE       LYS  12   9.948  14.458  -1.891
   80   1HZ   LYS  12          1HZ       LYS  12  11.243  15.800  -3.369
   81   2HZ   LYS  12          2HZ       LYS  12  12.147  14.535  -2.822
   82   3HZ   LYS  12          3HZ       LYS  12  11.545  14.515  -4.356
   83    H    ASN  13           H        ASN  13   6.092  11.409  -5.214
   84    HA   ASN  13           HA       ASN  13   3.980  13.404  -5.139
   85   1HB   ASN  13          1HB       ASN  13   4.988  11.520  -7.311
   86   2HB   ASN  13          2HB       ASN  13   3.855  12.837  -7.564
   87   1HD2  ASN  13          1HD2      ASN  13   5.648  14.466  -5.392
   88   2HD2  ASN  13          2HD2      ASN  13   6.858  15.079  -6.484
   89    H    VAL  14           H        VAL  14   4.183   9.946  -5.430
   90    HA   VAL  14           HA       VAL  14   1.377   9.678  -6.293
   91    HB   VAL  14           HB       VAL  14   3.580   7.647  -5.751
   92   1HG1  VAL  14          1HG1      VAL  14   3.688   7.512  -8.227
   93   2HG1  VAL  14          2HG1      VAL  14   4.047   9.155  -7.691
   94   3HG1  VAL  14          3HG1      VAL  14   2.449   8.774  -8.357
   95   1HG2  VAL  14          1HG2      VAL  14   0.829   7.298  -7.003
   96   2HG2  VAL  14          2HG2      VAL  14   1.450   6.499  -5.536
   97   3HG2  VAL  14          3HG2      VAL  14   2.144   6.110  -7.117
   98    H    VAL  15           H        VAL  15   3.212   8.960  -3.312
   99    HA   VAL  15           HA       VAL  15   0.746   7.855  -2.056
  100    HB   VAL  15           HB       VAL  15   3.619   7.749  -1.048
  101   1HG1  VAL  15          1HG1      VAL  15   1.888   7.539   0.693
  102   2HG1  VAL  15          2HG1      VAL  15   2.790   6.053   0.437
  103   3HG1  VAL  15          3HG1      VAL  15   1.143   6.205  -0.220
  104   1HG2  VAL  15          1HG2      VAL  15   3.432   6.520  -3.190
  105   2HG2  VAL  15          2HG2      VAL  15   3.594   5.410  -1.825
  106   3HG2  VAL  15          3HG2      VAL  15   2.008   5.676  -2.569
  107    H    LEU  16           H        LEU  16   3.496  10.025  -1.199
  108    HA   LEU  16           HA       LEU  16   2.094  11.004   1.134
  109   1HB   LEU  16          2HB       LEU  16   4.460  12.189  -0.382
  110   2HB   LEU  16          1HB       LEU  16   3.828  12.791   1.123
  111    HG   LEU  16           HG       LEU  16   5.071  10.048   0.588
  112   1HD1  LEU  16          1HD1      LEU  16   6.882  10.874   2.038
  113   2HD1  LEU  16          2HD1      LEU  16   6.022  12.411   2.265
  114   3HD1  LEU  16          3HD1      LEU  16   6.649  11.969   0.665
  115   1HD2  LEU  16          1HD2      LEU  16   3.888  11.179   3.164
  116   2HD2  LEU  16          2HD2      LEU  16   3.425   9.683   2.312
  117   3HD2  LEU  16          3HD2      LEU  16   4.994   9.792   3.108
  118    H    GLU  17           HN       GLU  17   2.991  12.872  -1.758
  119    HA   GLU  17           HA       GLU  17   1.126  14.973  -1.087
  120   1HB   GLU  17          1HB       GLU  17   2.729  14.475  -3.631
  121   2HB   GLU  17          2HB       GLU  17   2.000  16.009  -3.154
  122   1HG   GLU  17          2HG       GLU  17   3.496  16.240  -1.269
  123   2HG   GLU  17          1HG       GLU  17   4.155  14.615  -1.486
  124    H    SER  18           H        SER  18  -0.344  12.524  -1.472
  125    HA   SER  18           HA       SER  18  -1.790  12.859  -4.047
  126   1HB   SER  18          2HB       SER  18  -1.091  10.600  -3.344
  127   2HB   SER  18          1HB       SER  18  -2.085  10.753  -1.877
  128    HG   SER  18           HG       SER  18  -3.837  10.454  -3.081
  129    H    SER  19           H        SER  19  -3.977  13.482  -4.064
  130    HA   SER  19           HA       SER  19  -4.965  15.046  -1.806
  131   1HB   SER  19          2HB       SER  19  -6.884  15.288  -3.535
  132   2HB   SER  19          1HB       SER  19  -5.295  15.943  -3.988
  133    HG   SER  19           HG       SER  19  -6.149  14.634  -5.671
  134    H    VAL  20           H        VAL  20  -6.211  12.401  -3.833
  135    HA   VAL  20           HA       VAL  20  -8.119  11.522  -1.793
  136    HB   VAL  20           HB       VAL  20  -8.791   9.864  -3.362
  137   1HG1  VAL  20          1HG2      VAL  20  -6.361  10.563  -5.062
  138   2HG1  VAL  20          2HG2      VAL  20  -7.712   9.521  -5.556
  139   3HG1  VAL  20          3HG2      VAL  20  -6.664   9.022  -4.228
  140   1HG2  VAL  20          1HG1      VAL  20  -9.483  11.220  -5.231
  141   2HG2  VAL  20          2HG1      VAL  20  -9.525  12.198  -3.754
  142   3HG2  VAL  20          3HG1      VAL  20  -8.202  12.405  -4.923
  143    HA   PRO  21           HA       PRO  21  -5.558   8.779   0.429
  144   1HB   PRO  21          2HB       PRO  21  -7.697   6.706  -0.120
  145   2HB   PRO  21          1HB       PRO  21  -6.820   6.952   1.418
  146   1HG   PRO  21          1HG       PRO  21  -9.268   7.939   1.089
  147   2HG   PRO  21          2HG       PRO  21  -8.032   9.092   1.687
  148   1HD   PRO  21          2HD       PRO  21  -9.019   8.757  -1.180
  149   2HD   PRO  21          1HD       PRO  21  -8.826  10.230  -0.238
  150    H    VAL  22           H        VAL  22  -4.310   6.863   0.413
  151    HA   VAL  22           HA       VAL  22  -3.981   5.462  -2.186
  152    HB   VAL  22           HB       VAL  22  -1.700   6.852  -0.702
  153   1HG1  VAL  22          1HG1      VAL  22  -0.882   4.978  -1.897
  154   2HG1  VAL  22          2HG1      VAL  22  -0.558   6.355  -2.959
  155   3HG1  VAL  22          3HG1      VAL  22  -1.928   5.298  -3.301
  156   1HG2  VAL  22          1HG2      VAL  22  -3.060   8.611  -1.607
  157   2HG2  VAL  22          2HG2      VAL  22  -1.626   8.405  -2.611
  158   3HG2  VAL  22          3HG2      VAL  22  -3.189   7.804  -3.181
  159    H    LEU  23           H        LEU  23  -3.949   3.392  -1.822
  160    HA   LEU  23           HA       LEU  23  -3.112   2.266   0.793
  161   1HB   LEU  23          2HB       LEU  23  -5.233   1.710  -0.492
  162   2HB   LEU  23          1HB       LEU  23  -4.289   0.822  -1.637
  163    HG   LEU  23           HG       LEU  23  -3.731   0.121   1.218
  164   1HD1  LEU  23          1HD2      LEU  23  -2.785  -1.207  -0.657
  165   2HD1  LEU  23          2HD2      LEU  23  -3.900  -2.185   0.301
  166   3HD1  LEU  23          3HD2      LEU  23  -4.426  -1.532  -1.256
  167   1HD2  LEU  23          1HD1      LEU  23  -5.790  -1.184   1.489
  168   2HD2  LEU  23          2HD1      LEU  23  -6.145   0.547   1.357
  169   3HD2  LEU  23          3HD1      LEU  23  -6.425  -0.523  -0.036
  170    H    VAL  24           H        VAL  24  -0.778   2.408   0.726
  171    HA   VAL  24           HA       VAL  24   0.542   1.226  -1.704
  172    HB   VAL  24           HB       VAL  24   1.441   3.329  -1.284
  173   1HG1  VAL  24          1HG2      VAL  24   0.745   3.859   0.917
  174   2HG1  VAL  24          2HG2      VAL  24   2.517   3.913   0.904
  175   3HG1  VAL  24          3HG2      VAL  24   1.693   2.526   1.624
  176   1HG2  VAL  24          1HG1      VAL  24   3.393   1.350  -0.034
  177   2HG2  VAL  24          2HG1      VAL  24   3.057   1.475  -1.777
  178   3HG2  VAL  24          3HG1      VAL  24   3.770   2.844  -0.905
  179    H    ASP  25           HN       ASP  25   1.448  -0.754  -1.614
  180    HA   ASP  25           HA       ASP  25   1.653  -2.124   1.033
  181   1HB   ASP  25          1HB       ASP  25   0.187  -3.271  -0.548
  182   2HB   ASP  25          2HB       ASP  25   1.454  -3.230  -1.779
  183    H    PHE  26           H        PHE  26   3.680  -2.329   1.820
  184    HA   PHE  26           HA       PHE  26   6.047  -1.787   0.110
  185   1HB   PHE  26          2HB       PHE  26   5.697  -2.526   3.035
  186   2HB   PHE  26          1HB       PHE  26   7.253  -2.367   2.239
  187    HD1  PHE  26           HD1      PHE  26   4.105  -0.398   2.978
  188    HD2  PHE  26           HD2      PHE  26   8.318  -0.259   2.043
  189    HE1  PHE  26           HE1      PHE  26   4.149   1.994   3.537
  190    HE2  PHE  26           HE2      PHE  26   8.381   2.106   2.738
  191    HZ   PHE  26           HZ       PHE  26   6.295   3.253   3.493
  192    H    TRP  27           H        TRP  27   6.609  -3.451  -1.237
  193    HA   TRP  27           HA       TRP  27   6.232  -6.271  -0.276
  194   1HB   TRP  27          2HB       TRP  27   5.522  -6.934  -2.466
  195   2HB   TRP  27          1HB       TRP  27   4.518  -5.572  -2.007
  196    HD1  TRP  27           HD1      TRP  27   5.431  -3.178  -3.060
  197    HE1  TRP  27           HE1      TRP  27   6.594  -2.604  -5.311
  198    HE3  TRP  27           HE3      TRP  27   6.670  -7.959  -4.653
  199    HZ2  TRP  27           HZ2      TRP  27   8.019  -3.989  -7.336
  200    HZ3  TRP  27           HZ3      TRP  27   7.818  -8.230  -6.737
  201    HH2  TRP  27           HH2      TRP  27   8.613  -6.308  -8.067
  202    H    ALA  28           H        ALA  28   7.382  -7.659  -2.116
  203    HA   ALA  28           HA       ALA  28   9.698  -6.617  -3.370
  204   1HB   ALA  28          1HB       ALA  28  10.172  -8.578  -1.075
  205   2HB   ALA  28          2HB       ALA  28  10.611  -6.847  -1.014
  206   3HB   ALA  28          3HB       ALA  28  11.395  -7.925  -2.177
  207    HA   PRO  29           HA       PRO  29   8.200 -10.110  -5.602
  208   1HB   PRO  29          2HB       PRO  29  10.169 -10.997  -7.111
  209   2HB   PRO  29          1HB       PRO  29   9.568  -9.364  -7.199
  210   1HG   PRO  29          1HG       PRO  29  12.116 -10.051  -5.788
  211   2HG   PRO  29          2HG       PRO  29  11.833  -8.806  -7.029
  212   1HD   PRO  29          1HD       PRO  29  11.642  -8.216  -4.365
  213   2HD   PRO  29          2HD       PRO  29  10.574  -7.448  -5.571
  214    H    TRP  30           H        TRP  30  11.299 -10.811  -4.215
  215    HA   TRP  30           HA       TRP  30  11.018 -13.606  -3.763
  216   1HB   TRP  30          1HB       TRP  30  12.678 -13.307  -1.935
  217   2HB   TRP  30          2HB       TRP  30  13.148 -12.631  -3.484
  218    HD1  TRP  30           HD1      TRP  30  14.101 -10.300  -3.453
  219    HE1  TRP  30           HE1      TRP  30  14.381  -8.405  -1.727
  220    HE3  TRP  30           HE3      TRP  30  11.259 -12.224   0.362
  221    HZ2  TRP  30           HZ2      TRP  30  13.304  -7.713   0.839
  222    HZ3  TRP  30           HZ3      TRP  30  10.837 -10.883   2.389
  223    HH2  TRP  30           HH2      TRP  30  11.704  -8.571   2.570
  224    H    CYS  31           H        CYS  31   9.235 -10.999  -2.306
  225    HA   CYS  31           HA       CYS  31   8.687 -12.472   0.215
  226   1HB   CYS  31          2HB       CYS  31   8.774 -10.125   0.451
  227   2HB   CYS  31          1HB       CYS  31   7.641  -9.859  -0.869
  228    H    GLY  32           H        GLY  32   8.002 -14.395  -0.857
  229   1HA   GLY  32          1HA       GLY  32   5.964 -15.007  -2.501
  230   2HA   GLY  32          2HA       GLY  32   6.175 -15.858  -0.965
  231    HA   PRO  33           HA       PRO  33   2.381 -14.332   0.657
  232   1HB   PRO  33          2HB       PRO  33   2.847 -12.579   2.785
  233   2HB   PRO  33          1HB       PRO  33   2.843 -14.363   2.850
  234   1HG   PRO  33          2HG       PRO  33   5.206 -12.520   2.591
  235   2HG   PRO  33          1HG       PRO  33   5.053 -13.977   3.606
  236   1HD   PRO  33          1HD       PRO  33   6.371 -14.060   1.277
  237   2HD   PRO  33          2HD       PRO  33   5.308 -15.416   1.720
  238    H    CYS  34           H        CYS  34   4.636 -11.794  -0.301
  239    HA   CYS  34           HA       CYS  34   2.582  -9.687  -0.498
  240   1HB   CYS  34          2HB       CYS  34   5.334  -9.708  -1.765
  241   2HB   CYS  34          1HB       CYS  34   4.201  -8.390  -1.518
  242    H    ARG  35           HN       ARG  35   4.541 -11.772  -2.578
  243    HA   ARG  35           HA       ARG  35   3.671 -11.109  -5.122
  244   1HB   ARG  35          1HB       ARG  35   5.488 -12.739  -4.252
  245   2HB   ARG  35          2HB       ARG  35   4.224 -13.966  -4.239
  246   1HG   ARG  35          1HG       ARG  35   3.810 -13.439  -6.703
  247   2HG   ARG  35          2HG       ARG  35   5.262 -12.419  -6.643
  248   1HD   ARG  35          1HD       ARG  35   5.053 -15.396  -6.061
  249   2HD   ARG  35          2HD       ARG  35   5.871 -14.655  -7.451
  250    HE   ARG  35           HE       ARG  35   7.244 -13.489  -5.466
  251   1HH1  ARG  35          1HH2      ARG  35   6.448 -16.923  -5.862
  252   2HH1  ARG  35          2HH2      ARG  35   7.670 -17.451  -4.737
  253   1HH2  ARG  35          1HH1      ARG  35   8.746 -14.128  -4.076
  254   2HH2  ARG  35          2HH1      ARG  35   9.048 -15.809  -3.669
  255    H    ILE  36           H        ILE  36   2.297 -13.631  -2.983
  256    HA   ILE  36           HA       ILE  36   0.273 -14.392  -4.860
  257    HB   ILE  36           HB       ILE  36  -0.790 -15.597  -3.020
  258   1HG1  ILE  36          1HG1      ILE  36   1.192 -14.115  -1.251
  259   2HG1  ILE  36          2HG1      ILE  36  -0.571 -13.970  -1.216
  260   1HG2  ILE  36          1HG2      ILE  36   1.250 -16.430  -4.233
  261   2HG2  ILE  36          2HG2      ILE  36   2.257 -15.822  -2.913
  262   3HG2  ILE  36          3HG2      ILE  36   1.071 -17.103  -2.610
  263   1HD1  ILE  36          1HD1      ILE  36   1.032 -16.398  -0.415
  264   2HD1  ILE  36          2HD1      ILE  36   0.060 -15.322   0.609
  265   3HD1  ILE  36          3HD1      ILE  36  -0.747 -16.359  -0.588
  266    H    ILE  37           H        ILE  37   0.064 -11.944  -2.199
  267    HA   ILE  37           HA       ILE  37  -2.765 -11.518  -2.803
  268    HB   ILE  37           HB       ILE  37  -2.669  -9.620  -1.309
  269   1HG1  ILE  37          1HG1      ILE  37   0.293 -10.167  -0.945
  270   2HG1  ILE  37          2HG1      ILE  37  -0.366  -8.800  -1.848
  271   1HG2  ILE  37          1HG2      ILE  37  -1.161 -11.970  -0.083
  272   2HG2  ILE  37          2HG2      ILE  37  -2.885 -12.016  -0.503
  273   3HG2  ILE  37          3HG2      ILE  37  -2.308 -10.876   0.711
  274   1HD1  ILE  37          1HD1      ILE  37   0.228  -8.037   0.339
  275   2HD1  ILE  37          2HD1      ILE  37  -0.698  -9.322   1.126
  276   3HD1  ILE  37          3HD1      ILE  37  -1.543  -8.039   0.224
  277    H    ALA  38           H        ALA  38   0.236 -10.146  -4.033
  278    HA   ALA  38           HA       ALA  38  -0.324  -7.705  -4.906
  279   1HB   ALA  38          1HB       ALA  38   0.994  -9.787  -6.703
  280   2HB   ALA  38          2HB       ALA  38   1.765  -8.928  -5.356
  281   3HB   ALA  38          3HB       ALA  38   1.190  -8.037  -6.771
  282    HA   PRO  39           HA       PRO  39  -2.767  -8.872  -8.899
  283   1HB   PRO  39          2HB       PRO  39  -4.169 -11.400  -8.110
  284   2HB   PRO  39          1HB       PRO  39  -3.461 -10.959  -9.688
  285   1HG   PRO  39          2HG       PRO  39  -2.218 -12.769  -8.069
  286   2HG   PRO  39          1HG       PRO  39  -1.254 -11.523  -8.925
  287   1HD   PRO  39          2HD       PRO  39  -2.348 -11.390  -6.102
  288   2HD   PRO  39          1HD       PRO  39  -0.665 -11.190  -6.601
  289    H    VAL  40           H        VAL  40  -3.901  -9.892  -5.679
  290    HA   VAL  40           HA       VAL  40  -6.609  -8.936  -6.138
  291    HB   VAL  40           HB       VAL  40  -5.462  -9.304  -3.364
  292   1HG1  VAL  40          1HG2      VAL  40  -8.206  -9.858  -4.627
  293   2HG1  VAL  40          2HG2      VAL  40  -7.821  -9.945  -2.906
  294   3HG1  VAL  40          3HG2      VAL  40  -7.808  -8.380  -3.738
  295   1HG2  VAL  40          1HG1      VAL  40  -4.796 -11.306  -4.476
  296   2HG2  VAL  40          2HG1      VAL  40  -6.409 -11.446  -5.252
  297   3HG2  VAL  40          3HG1      VAL  40  -6.233 -11.629  -3.476
  298    H    VAL  41           H        VAL  41  -3.583  -7.806  -4.639
  299    HA   VAL  41           HA       VAL  41  -4.568  -5.485  -3.483
  300    HB   VAL  41           HB       VAL  41  -1.848  -5.928  -4.819
  301   1HG1  VAL  41          1HG1      VAL  41  -0.989  -6.369  -2.617
  302   2HG1  VAL  41          2HG1      VAL  41  -2.414  -7.396  -2.807
  303   3HG1  VAL  41          3HG1      VAL  41  -2.517  -5.917  -1.850
  304   1HG2  VAL  41          1HG2      VAL  41  -2.131  -3.544  -4.675
  305   2HG2  VAL  41          2HG2      VAL  41  -2.681  -3.670  -2.981
  306   3HG2  VAL  41          3HG2      VAL  41  -1.008  -4.057  -3.418
  307    H    ASP  42           HN       ASP  42  -3.601  -6.176  -6.841
  308    HA   ASP  42           HA       ASP  42  -4.193  -3.579  -7.918
  309   1HB   ASP  42          1HB       ASP  42  -4.302  -6.276  -9.324
  310   2HB   ASP  42          2HB       ASP  42  -4.232  -4.695 -10.095
  311    H    GLU  43           HN       GLU  43  -6.163  -6.644  -8.054
  312    HA   GLU  43           HA       GLU  43  -8.287  -5.416  -9.404
  313   1HB   GLU  43          1HB       GLU  43  -9.433  -7.335  -9.194
  314   2HB   GLU  43          2HB       GLU  43  -7.796  -7.937  -8.927
  315   1HG   GLU  43          1HG       GLU  43  -8.357  -7.786  -6.397
  316   2HG   GLU  43          2HG       GLU  43 -10.019  -7.467  -6.868
  317    H    ILE  44           H        ILE  44  -7.940  -5.863  -5.853
  318    HA   ILE  44           HA       ILE  44 -10.460  -4.700  -5.203
  319    HB   ILE  44           HB       ILE  44  -7.859  -5.155  -3.744
  320   1HG1  ILE  44          2HG1      ILE  44  -9.809  -6.799  -4.100
  321   2HG1  ILE  44          1HG1      ILE  44  -9.174  -6.637  -2.457
  322   1HG2  ILE  44          1HG2      ILE  44 -10.054  -3.391  -2.670
  323   2HG2  ILE  44          2HG2      ILE  44  -8.334  -2.985  -2.858
  324   3HG2  ILE  44          3HG2      ILE  44  -8.827  -4.190  -1.661
  325   1HD1  ILE  44          1HD1      ILE  44 -11.664  -6.760  -2.576
  326   2HD1  ILE  44          2HD1      ILE  44 -11.110  -5.266  -1.810
  327   3HD1  ILE  44          3HD1      ILE  44 -11.701  -5.238  -3.473
  328    H    ALA  45           H        ALA  45  -7.337  -3.142  -5.971
  329    HA   ALA  45           HA       ALA  45  -8.164  -0.488  -5.275
  330   1HB   ALA  45          1HB       ALA  45  -5.828  -1.419  -5.872
  331   2HB   ALA  45          2HB       ALA  45  -6.288  -1.155  -7.568
  332   3HB   ALA  45          3HB       ALA  45  -6.279   0.204  -6.431
  333    H    GLY  46           H        GLY  46  -8.404  -2.481  -8.237
  334   1HA   GLY  46          2HA       GLY  46  -9.612  -0.627  -9.999
  335   2HA   GLY  46          1HA       GLY  46  -9.825  -2.389 -10.026
  336    H    GLU  47           HN       GLU  47 -11.131  -2.983  -7.696
  337    HA   GLU  47           HA       GLU  47 -13.831  -2.362  -8.139
  338   1HB   GLU  47          1HB       GLU  47 -12.415  -3.167  -5.556
  339   2HB   GLU  47          2HB       GLU  47 -14.150  -3.061  -5.777
  340   1HG   GLU  47          1HG       GLU  47 -14.112  -4.760  -7.509
  341   2HG   GLU  47          2HG       GLU  47 -12.344  -4.894  -7.408
  342    H    TYR  48           H        TYR  48 -11.618  -0.943  -5.737
  343    HA   TYR  48           HA       TYR  48 -13.583   1.152  -5.060
  344   1HB   TYR  48          2HB       TYR  48 -10.726   0.646  -4.152
  345   2HB   TYR  48          1HB       TYR  48 -11.823   1.835  -3.458
  346    HD1  TYR  48           HD1      TYR  48 -10.397  -1.059  -2.526
  347    HD2  TYR  48           HD2      TYR  48 -14.411   0.377  -3.220
  348    HE1  TYR  48           HE1      TYR  48 -11.282  -2.600  -0.796
  349    HE2  TYR  48           HE2      TYR  48 -15.254  -1.116  -1.476
  350    HH   TYR  48           HH       TYR  48 -14.529  -2.217   0.520
  351    H    LYS  49           HN       LYS  49 -13.293   1.371  -7.569
  352    HA   LYS  49           HA       LYS  49 -11.430   2.721  -8.936
  353   1HB   LYS  49          2HB       LYS  49 -13.517   1.795  -9.766
  354   2HB   LYS  49          1HB       LYS  49 -14.443   3.137  -9.140
  355   1HG   LYS  49          2HG       LYS  49 -12.161   3.359 -11.176
  356   2HG   LYS  49          1HG       LYS  49 -13.839   3.103 -11.628
  357   1HD   LYS  49          1HD       LYS  49 -12.781   5.612 -10.243
  358   2HD   LYS  49          2HD       LYS  49 -13.154   5.419 -11.942
  359   1HE   LYS  49          2HE       LYS  49 -15.518   5.007 -11.478
  360   2HE   LYS  49          1HE       LYS  49 -15.242   5.121  -9.736
  361   1HZ   LYS  49          1HZ       LYS  49 -16.080   7.142 -10.645
  362   2HZ   LYS  49          2HZ       LYS  49 -14.782   7.290 -11.646
  363   3HZ   LYS  49          3HZ       LYS  49 -14.585   7.379 -10.011
  364    H    ASP  50           HN       ASP  50 -14.189   4.540  -7.684
  365    HA   ASP  50           HA       ASP  50 -13.188   7.052  -8.238
  366   1HB   ASP  50          2HB       ASP  50 -15.574   6.315  -7.664
  367   2HB   ASP  50          1HB       ASP  50 -15.138   6.453  -5.968
  368    H    LYS  51           HN       LYS  51 -13.310   5.640  -4.980
  369    HA   LYS  51           HA       LYS  51 -12.243   7.993  -3.814
  370   1HB   LYS  51          1HB       LYS  51 -11.970   6.526  -1.774
  371   2HB   LYS  51          2HB       LYS  51 -13.593   6.667  -2.352
  372   1HG   LYS  51          1HG       LYS  51 -13.701   4.492  -3.261
  373   2HG   LYS  51          2HG       LYS  51 -11.973   4.215  -3.005
  374   1HD   LYS  51          1HD       LYS  51 -12.296   4.547  -0.556
  375   2HD   LYS  51          2HD       LYS  51 -14.029   4.809  -0.828
  376   1HE   LYS  51          1HE       LYS  51 -14.185   2.472  -1.748
  377   2HE   LYS  51          2HE       LYS  51 -12.468   2.240  -1.337
  378   1HZ   LYS  51          1HZ       LYS  51 -13.861   1.397   0.390
  379   2HZ   LYS  51          2HZ       LYS  51 -14.609   2.851   0.560
  380   3HZ   LYS  51          3HZ       LYS  51 -13.013   2.691   0.933
  381    H    LEU  52           H        LEU  52 -10.576   4.931  -4.589
  382    HA   LEU  52           HA       LEU  52  -8.325   5.949  -2.824
  383   1HB   LEU  52          1HB       LEU  52  -9.993   4.572  -1.821
  384   2HB   LEU  52          2HB       LEU  52  -9.830   3.364  -3.113
  385    HG   LEU  52           HG       LEU  52  -7.671   2.694  -2.283
  386   1HD1  LEU  52          1HD2      LEU  52  -6.878   4.804  -1.229
  387   2HD1  LEU  52          2HD2      LEU  52  -8.141   4.612   0.028
  388   3HD1  LEU  52          3HD2      LEU  52  -6.828   3.436  -0.108
  389   1HD2  LEU  52          1HD1      LEU  52  -9.970   3.032  -0.232
  390   2HD2  LEU  52          2HD1      LEU  52  -9.933   1.806  -1.496
  391   3HD2  LEU  52          3HD1      LEU  52  -8.763   1.736  -0.155
  392    H    LYS  53           HN       LYS  53  -6.301   5.807  -3.486
  393    HA   LYS  53           HA       LYS  53  -5.707   4.442  -6.075
  394   1HB   LYS  53          1HB       LYS  53  -4.836   6.734  -5.603
  395   2HB   LYS  53          2HB       LYS  53  -3.969   6.096  -4.240
  396   1HG   LYS  53          2HG       LYS  53  -2.486   6.414  -6.149
  397   2HG   LYS  53          1HG       LYS  53  -2.517   4.760  -5.605
  398   1HD   LYS  53          1HD       LYS  53  -2.479   4.757  -7.996
  399   2HD   LYS  53          2HD       LYS  53  -4.036   4.130  -7.510
  400   1HE   LYS  53          1HE       LYS  53  -4.322   5.653  -9.372
  401   2HE   LYS  53          2HE       LYS  53  -5.097   6.345  -7.938
  402   1HZ   LYS  53          1HZ       LYS  53  -2.437   7.070  -8.959
  403   2HZ   LYS  53          2HZ       LYS  53  -3.184   7.741  -7.652
  404   3HZ   LYS  53          3HZ       LYS  53  -3.815   7.951  -9.157
  405    H    CYS  54           H        CYS  54  -3.765   2.945  -6.018
  406    HA   CYS  54           HA       CYS  54  -3.227   1.759  -3.437
  407   1HB   CYS  54          1HB       CYS  54  -5.147   0.406  -4.309
  408   2HB   CYS  54          2HB       CYS  54  -4.193   0.168  -5.812
  409    HG   CYS  54           HG       CYS  54  -4.012  -2.026  -4.605
  410    H    VAL  55           H        VAL  55  -1.158   0.730  -3.457
  411    HA   VAL  55           HA       VAL  55   0.330   0.852  -5.981
  412    HB   VAL  55           HB       VAL  55   1.911   2.339  -4.052
  413   1HG1  VAL  55          1HG1      VAL  55  -0.683   3.770  -4.713
  414   2HG1  VAL  55          2HG1      VAL  55   0.723   4.415  -3.882
  415   3HG1  VAL  55          3HG1      VAL  55  -0.242   3.152  -3.103
  416   1HG2  VAL  55          1HG2      VAL  55   1.988   3.969  -5.900
  417   2HG2  VAL  55          2HG2      VAL  55   2.246   2.318  -6.497
  418   3HG2  VAL  55          3HG2      VAL  55   0.676   3.116  -6.733
  419    H    LYS  56           HN       LYS  56   2.602   0.223  -5.703
  420    HA   LYS  56           HA       LYS  56   3.053  -1.597  -3.408
  421   1HB   LYS  56          2HB       LYS  56   2.688  -2.203  -6.296
  422   2HB   LYS  56          1HB       LYS  56   4.021  -3.041  -5.506
  423   1HG   LYS  56          2HG       LYS  56   2.584  -3.892  -3.751
  424   2HG   LYS  56          1HG       LYS  56   1.192  -2.992  -4.374
  425   1HD   LYS  56          2HD       LYS  56   2.667  -5.167  -5.925
  426   2HD   LYS  56          1HD       LYS  56   1.238  -5.443  -4.909
  427   1HE   LYS  56          1HE       LYS  56  -0.045  -3.776  -6.303
  428   2HE   LYS  56          2HE       LYS  56   1.347  -3.664  -7.392
  429   1HZ   LYS  56          1HZ       LYS  56  -0.216  -6.083  -6.821
  430   2HZ   LYS  56          2HZ       LYS  56  -0.251  -5.177  -8.187
  431   3HZ   LYS  56          3HZ       LYS  56   1.116  -6.014  -7.802
  432    H    LEU  57           H        LEU  57   4.850  -0.929  -2.454
  433    HA   LEU  57           HA       LEU  57   6.953   0.491  -4.031
  434   1HB   LEU  57          1HB       LEU  57   6.107   1.760  -2.152
  435   2HB   LEU  57          2HB       LEU  57   6.376   0.398  -1.046
  436    HG   LEU  57           HG       LEU  57   8.804   0.661  -1.316
  437   1HD1  LEU  57          1HD1      LEU  57   9.040   2.724  -0.151
  438   2HD1  LEU  57          2HD1      LEU  57   7.613   3.426  -0.933
  439   3HD1  LEU  57          3HD1      LEU  57   7.412   2.138   0.259
  440   1HD2  LEU  57          1HD2      LEU  57   7.965   2.766  -3.361
  441   2HD2  LEU  57          2HD2      LEU  57   9.551   2.789  -2.599
  442   3HD2  LEU  57          3HD2      LEU  57   9.089   1.397  -3.588
  443    H    ASN  58           H        ASN  58   8.709  -0.627  -4.608
  444    HA   ASN  58           HA       ASN  58   9.159  -3.303  -3.521
  445   1HB   ASN  58          1HB       ASN  58   9.639  -2.747  -5.872
  446   2HB   ASN  58          2HB       ASN  58  10.920  -1.652  -5.357
  447   1HD2  ASN  58          2HD2      ASN  58  10.378  -4.763  -6.450
  448   2HD2  ASN  58          1HD2      ASN  58  11.798  -5.531  -5.757
  449    H    THR  59           H        THR  59   9.913  -3.567  -1.587
  450    HA   THR  59           HA       THR  59  11.055  -1.473   0.011
  451    HB   THR  59           HB       THR  59  10.928  -4.475   0.545
  452    HG1  THR  59           HG1      THR  59   8.891  -3.757   0.006
  453   1HG2  THR  59          1HG2      THR  59  12.250  -3.151   2.223
  454   2HG2  THR  59          2HG2      THR  59  10.748  -3.807   2.899
  455   3HG2  THR  59          3HG2      THR  59  10.832  -2.099   2.444
  456    H    ASP  60           HN       ASP  60  12.420  -4.127  -1.869
  457    HA   ASP  60           HA       ASP  60  15.042  -4.176  -0.663
  458   1HB   ASP  60          1HB       ASP  60  13.721  -5.912  -2.129
  459   2HB   ASP  60          2HB       ASP  60  14.349  -5.015  -3.505
  460    H    GLU  61           HN       GLU  61  13.509  -2.632  -3.405
  461    HA   GLU  61           HA       GLU  61  15.831  -1.215  -4.405
  462   1HB   GLU  61          2HB       GLU  61  13.779  -2.052  -5.703
  463   2HB   GLU  61          1HB       GLU  61  12.889  -0.710  -4.946
  464   1HG   GLU  61          2HG       GLU  61  14.621   0.863  -5.975
  465   2HG   GLU  61          1HG       GLU  61  15.272  -0.545  -6.816
  466    H    SER  62           H        SER  62  13.125  -0.438  -2.243
  467    HA   SER  62           HA       SER  62  14.095   2.370  -1.880
  468   1HB   SER  62          2HB       SER  62  11.973   2.127  -3.076
  469   2HB   SER  62          1HB       SER  62  11.278   1.268  -1.684
  470    HG   SER  62           HG       SER  62  11.704   3.073  -0.416
  471    HA   PRO  63           HA       PRO  63  14.185  -0.139   2.181
  472   1HB   PRO  63          1HB       PRO  63  16.849   0.191   2.759
  473   2HB   PRO  63          2HB       PRO  63  16.209  -1.182   1.799
  474   1HG   PRO  63          1HG       PRO  63  17.427   1.406   0.785
  475   2HG   PRO  63          2HG       PRO  63  17.798  -0.264   0.259
  476   1HD   PRO  63          1HD       PRO  63  16.070   1.268  -1.146
  477   2HD   PRO  63          2HD       PRO  63  15.708  -0.458  -0.867
  478    H    ASN  64           H        ASN  64  15.401   2.877   0.936
  479    HA   ASN  64           HA       ASN  64  15.995   4.347   3.276
  480   1HB   ASN  64          1HB       ASN  64  14.719   5.295   0.671
  481   2HB   ASN  64          2HB       ASN  64  15.353   6.367   1.929
  482   1HD2  ASN  64          2HD2      ASN  64  16.265   6.442  -0.741
  483   2HD2  ASN  64          1HD2      ASN  64  17.948   5.909  -0.734
  484    H    VAL  65           H        VAL  65  12.938   4.602   1.483
  485    HA   VAL  65           HA       VAL  65  11.422   5.910   3.438
  486    HB   VAL  65           HB       VAL  65  10.554   3.915   1.292
  487   1HG1  VAL  65          1HG2      VAL  65   8.936   6.077   2.684
  488   2HG1  VAL  65          2HG2      VAL  65   8.760   4.334   2.971
  489   3HG1  VAL  65          3HG2      VAL  65   8.383   4.997   1.379
  490   1HG2  VAL  65          1HG1      VAL  65  11.797   5.732   0.282
  491   2HG2  VAL  65          2HG1      VAL  65  10.945   6.938   1.266
  492   3HG2  VAL  65          3HG1      VAL  65  10.076   6.036   0.007
  493    H    ALA  66           H        ALA  66  11.635   2.465   2.689
  494    HA   ALA  66           HA       ALA  66   9.991   1.377   4.613
  495   1HB   ALA  66          1HB       ALA  66  12.697   0.233   3.813
  496   2HB   ALA  66          2HB       ALA  66  11.234   0.144   2.810
  497   3HB   ALA  66          3HB       ALA  66  11.301  -0.671   4.387
  498    H    SER  67           H        SER  67  13.457   2.260   5.075
  499    HA   SER  67           HA       SER  67  13.558   1.449   7.828
  500   1HB   SER  67          2HB       SER  67  15.293   3.459   6.317
  501   2HB   SER  67          1HB       SER  67  15.659   2.715   7.884
  502    HG   SER  67           HG       SER  67  15.356   1.402   5.383
  503    H    GLU  68           HN       GLU  68  13.020   4.585   6.226
  504    HA   GLU  68           HA       GLU  68  12.908   6.223   8.543
  505   1HB   GLU  68          2HB       GLU  68  11.466   6.446   5.867
  506   2HB   GLU  68          1HB       GLU  68  11.459   7.713   7.094
  507   1HG   GLU  68          1HG       GLU  68  13.814   8.068   6.927
  508   2HG   GLU  68          2HG       GLU  68  14.070   6.599   5.986
  509    H    TYR  69           H        TYR  69  10.275   4.421   6.898
  510    HA   TYR  69           HA       TYR  69   8.302   5.249   8.905
  511   1HB   TYR  69          2HB       TYR  69   8.308   3.474   6.454
  512   2HB   TYR  69          1HB       TYR  69   7.009   3.361   7.624
  513    HD1  TYR  69           HD1      TYR  69   5.513   5.295   8.095
  514    HD2  TYR  69           HD2      TYR  69   8.612   5.561   5.116
  515    HE1  TYR  69           HE1      TYR  69   4.729   7.560   7.478
  516    HE2  TYR  69           HE2      TYR  69   7.805   7.815   4.479
  517    HH   TYR  69           HH       TYR  69   5.249   9.493   6.293
  518    H    GLY  70           H        GLY  70  10.358   2.406   8.402
  519   1HA   GLY  70          2HA       GLY  70  11.132   1.106  10.220
  520   2HA   GLY  70          1HA       GLY  70   9.718   1.536  11.185
  521    H    ILE  71           H        ILE  71  10.018   0.283   7.846
  522    HA   ILE  71           HA       ILE  71   7.936  -1.720   8.259
  523    HB   ILE  71           HB       ILE  71   9.897  -1.328   5.971
  524   1HG1  ILE  71          1HG1      ILE  71   8.567   0.741   6.362
  525   2HG1  ILE  71          2HG1      ILE  71   8.228  -0.066   4.844
  526   1HG2  ILE  71          1HG2      ILE  71   7.264  -2.859   6.179
  527   2HG2  ILE  71          2HG2      ILE  71   8.107  -2.502   4.654
  528   3HG2  ILE  71          3HG2      ILE  71   8.875  -3.526   5.873
  529   1HD1  ILE  71          1HD1      ILE  71   6.116  -0.910   5.690
  530   2HD1  ILE  71          2HD1      ILE  71   6.465  -0.248   7.313
  531   3HD1  ILE  71          3HD1      ILE  71   6.217   0.836   5.935
  532    H    ARG  72           HN       ARG  72   8.760  -2.871  10.016
  533    HA   ARG  72           HA       ARG  72  11.360  -4.056  10.050
  534   1HB   ARG  72          2HB       ARG  72   9.956  -3.444  12.015
  535   2HB   ARG  72          1HB       ARG  72   8.862  -4.789  11.642
  536   1HG   ARG  72          2HG       ARG  72  10.675  -6.407  12.044
  537   2HG   ARG  72          1HG       ARG  72  11.836  -5.085  12.263
  538   1HD   ARG  72          2HD       ARG  72  10.502  -4.306  14.259
  539   2HD   ARG  72          1HD       ARG  72   9.370  -5.627  13.978
  540    HE   ARG  72           HE       ARG  72  10.796  -7.122  14.928
  541   1HH1  ARG  72          2HH2      ARG  72  12.629  -4.196  14.197
  542   2HH1  ARG  72          1HH2      ARG  72  14.046  -4.684  15.089
  543   1HH2  ARG  72          2HH1      ARG  72  12.636  -7.787  16.079
  544   2HH2  ARG  72          1HH1      ARG  72  14.050  -6.774  16.168
  545    H    SER  73           H        SER  73   8.395  -5.129   8.505
  546    HA   SER  73           HA       SER  73   9.732  -7.425   7.395
  547   1HB   SER  73          1HB       SER  73   7.218  -7.872   9.077
  548   2HB   SER  73          2HB       SER  73   8.075  -9.089   8.120
  549    HG   SER  73           HG       SER  73   9.898  -8.060   9.686
  550    H    ILE  74           H        ILE  74   8.132  -8.410   5.719
  551    HA   ILE  74           HA       ILE  74   6.136  -6.424   4.849
  552    HB   ILE  74           HB       ILE  74   6.887  -6.814   2.484
  553   1HG1  ILE  74          1HG1      ILE  74   9.514  -7.756   3.636
  554   2HG1  ILE  74          2HG1      ILE  74   8.292  -8.821   2.914
  555   1HG2  ILE  74          1HG2      ILE  74   7.328  -4.755   3.876
  556   2HG2  ILE  74          2HG2      ILE  74   8.922  -5.431   4.281
  557   3HG2  ILE  74          3HG2      ILE  74   8.510  -5.024   2.604
  558   1HD1  ILE  74          1HD1      ILE  74   9.772  -8.252   1.136
  559   2HD1  ILE  74          2HD1      ILE  74   8.313  -7.328   0.850
  560   3HD1  ILE  74          3HD1      ILE  74   9.755  -6.535   1.531
  561    HA   PRO  75           HA       PRO  75   4.678  -6.658   2.650
  562   1HB   PRO  75          2HB       PRO  75   1.974  -6.919   2.667
  563   2HB   PRO  75          1HB       PRO  75   3.008  -7.880   1.589
  564   1HG   PRO  75          1HG       PRO  75   1.932  -8.651   4.304
  565   2HG   PRO  75          2HG       PRO  75   1.795  -9.599   2.787
  566   1HD   PRO  75          1HD       PRO  75   3.766 -10.126   4.596
  567   2HD   PRO  75          2HD       PRO  75   4.121 -10.158   2.850
  568    H    THR  76           H        THR  76   3.353  -4.773   3.181
  569    HA   THR  76           HA       THR  76   2.262  -4.477   5.802
  570    HB   THR  76           HB       THR  76   4.924  -3.156   5.162
  571    HG1  THR  76           HG1      THR  76   4.683  -5.143   6.448
  572   1HG2  THR  76          1HG2      THR  76   4.512  -1.777   7.254
  573   2HG2  THR  76          2HG2      THR  76   2.802  -2.217   7.142
  574   3HG2  THR  76          3HG2      THR  76   3.566  -1.278   5.841
  575    H    ILE  77           H        ILE  77   0.486  -3.362   5.322
  576    HA   ILE  77           HA       ILE  77   0.388  -1.786   2.785
  577    HB   ILE  77           HB       ILE  77  -1.818  -3.186   4.364
  578   1HG1  ILE  77          2HG1      ILE  77  -2.127  -4.328   2.088
  579   2HG1  ILE  77          1HG1      ILE  77  -0.526  -3.734   1.655
  580   1HG2  ILE  77          1HG2      ILE  77  -2.635  -1.053   3.421
  581   2HG2  ILE  77          2HG2      ILE  77  -1.952  -1.495   1.841
  582   3HG2  ILE  77          3HG2      ILE  77  -3.298  -2.425   2.546
  583   1HD1  ILE  77          1HD1      ILE  77  -0.655  -6.121   2.479
  584   2HD1  ILE  77          2HD1      ILE  77   0.490  -5.137   3.381
  585   3HD1  ILE  77          3HD1      ILE  77  -1.104  -5.500   4.081
  586    H    MET  78           H        MET  78   0.502   0.355   3.123
  587    HA   MET  78           HA       MET  78  -0.559   1.476   5.690
  588   1HB   MET  78          1HB       MET  78   1.698   2.426   3.917
  589   2HB   MET  78          2HB       MET  78   0.958   3.391   5.219
  590   1HG   MET  78          2HG       MET  78   1.530   1.557   6.820
  591   2HG   MET  78          1HG       MET  78   2.444   0.775   5.528
  592   1HE   MET  78          1HE       MET  78   4.134   0.810   7.688
  593   2HE   MET  78          2HE       MET  78   3.283   2.050   8.644
  594   3HE   MET  78          3HE       MET  78   4.992   2.273   8.225
  595    H    VAL  79           H        VAL  79  -2.061   3.018   5.522
  596    HA   VAL  79           HA       VAL  79  -3.014   3.707   2.762
  597    HB   VAL  79           HB       VAL  79  -4.565   3.838   5.357
  598   1HG1  VAL  79          1HG1      VAL  79  -5.863   1.939   4.423
  599   2HG1  VAL  79          2HG1      VAL  79  -4.175   1.466   4.652
  600   3HG1  VAL  79          3HG1      VAL  79  -4.766   1.865   3.030
  601   1HG2  VAL  79          1HG2      VAL  79  -5.271   5.531   3.717
  602   2HG2  VAL  79          2HG2      VAL  79  -5.369   4.290   2.452
  603   3HG2  VAL  79          3HG2      VAL  79  -6.483   4.249   3.835
  604    H    PHE  80           H        PHE  80  -2.299   5.683   2.179
  605    HA   PHE  80           HA       PHE  80  -1.731   7.764   4.268
  606   1HB   PHE  80          1HB       PHE  80  -0.520   7.170   1.548
  607   2HB   PHE  80          2HB       PHE  80  -0.336   8.732   2.318
  608    HD1  PHE  80           HD1      PHE  80   1.372   9.160   3.869
  609    HD2  PHE  80           HD2      PHE  80   0.402   5.095   2.833
  610    HE1  PHE  80           HE1      PHE  80   3.510   8.406   4.844
  611    HE2  PHE  80           HE2      PHE  80   2.658   4.377   3.631
  612    HZ   PHE  80           HZ       PHE  80   4.146   5.988   4.752
  613    H    LYS  81           HN       LYS  81  -2.180   9.968   3.600
  614    HA   LYS  81           HA       LYS  81  -3.580  10.549   1.147
  615   1HB   LYS  81          2HB       LYS  81  -5.700  11.123   1.915
  616   2HB   LYS  81          1HB       LYS  81  -5.427   9.547   2.645
  617   1HG   LYS  81          1HG       LYS  81  -5.331  12.267   4.011
  618   2HG   LYS  81          2HG       LYS  81  -6.536  10.992   4.192
  619   1HD   LYS  81          1HD       LYS  81  -4.670   9.491   5.072
  620   2HD   LYS  81          2HD       LYS  81  -3.652  10.926   5.182
  621   1HE   LYS  81          1HE       LYS  81  -6.248  10.460   6.669
  622   2HE   LYS  81          2HE       LYS  81  -4.605  10.557   7.335
  623   1HZ   LYS  81          1HZ       LYS  81  -5.756  12.588   7.661
  624   2HZ   LYS  81          2HZ       LYS  81  -4.500  12.827   6.620
  625   3HZ   LYS  81          3HZ       LYS  81  -6.045  12.760   6.049
  626    H    GLY  82           H        GLY  82  -3.562  12.942   0.835
  627   1HA   GLY  82          2HA       GLY  82  -2.873  15.087   1.269
  628   2HA   GLY  82          1HA       GLY  82  -3.603  14.748   2.859
  629    H    GLY  83           H        GLY  83  -0.519  13.426   1.490
  630   1HA   GLY  83          2HA       GLY  83   1.651  13.766   2.161
  631   2HA   GLY  83          1HA       GLY  83   1.126  15.166   3.081
  632    H    LYS  84           HN       LYS  84  -0.731  12.548   4.237
  633    HA   LYS  84           HA       LYS  84   1.314  11.885   6.317
  634   1HB   LYS  84          2HB       LYS  84  -1.620  12.513   6.770
  635   2HB   LYS  84          1HB       LYS  84  -0.437  12.112   8.014
  636   1HG   LYS  84          2HG       LYS  84  -0.367  14.625   6.276
  637   2HG   LYS  84          1HG       LYS  84  -0.991  14.514   7.921
  638   1HD   LYS  84          1HD       LYS  84   1.231  13.897   8.792
  639   2HD   LYS  84          2HD       LYS  84   1.902  13.864   7.160
  640   1HE   LYS  84          2HE       LYS  84   2.506  15.950   8.251
  641   2HE   LYS  84          1HE       LYS  84   1.466  16.252   6.851
  642   1HZ   LYS  84          1HZ       LYS  84   0.574  16.193   9.652
  643   2HZ   LYS  84          2HZ       LYS  84  -0.372  16.522   8.342
  644   3HZ   LYS  84          3HZ       LYS  84   0.843  17.551   8.757
  645    H    LYS  85           HN       LYS  85   0.805  10.076   7.579
  646    HA   LYS  85           HA       LYS  85  -0.209   7.788   5.999
  647   1HB   LYS  85          2HB       LYS  85   2.098   7.821   7.093
  648   2HB   LYS  85          1HB       LYS  85   1.281   7.868   8.647
  649   1HG   LYS  85          1HG       LYS  85   0.055   5.673   7.329
  650   2HG   LYS  85          2HG       LYS  85   1.702   5.657   6.726
  651   1HD   LYS  85          2HD       LYS  85   1.887   4.321   8.579
  652   2HD   LYS  85          1HD       LYS  85   2.403   5.855   9.266
  653   1HE   LYS  85          1HE       LYS  85  -0.437   4.689   9.428
  654   2HE   LYS  85          2HE       LYS  85   0.786   4.520  10.688
  655   1HZ   LYS  85          1HZ       LYS  85  -0.750   6.265  11.140
  656   2HZ   LYS  85          2HZ       LYS  85   0.773   6.877  10.966
  657   3HZ   LYS  85          3HZ       LYS  85  -0.344   7.071   9.772
  658    H    CYS  86           H        CYS  86  -2.056   6.672   6.702
  659    HA   CYS  86           HA       CYS  86  -3.438   7.662   9.172
  660   1HB   CYS  86          1HB       CYS  86  -4.628   8.282   7.171
  661   2HB   CYS  86          2HB       CYS  86  -4.613   6.646   6.541
  662    HG   CYS  86           HG       CYS  86  -5.809   7.718   9.444
  663    H    GLU  87           HN       GLU  87  -4.028   4.774   7.157
  664    HA   GLU  87           HA       GLU  87  -3.960   3.136   9.624
  665   1HB   GLU  87          1HB       GLU  87  -4.680   2.175   6.853
  666   2HB   GLU  87          2HB       GLU  87  -5.171   1.502   8.396
  667   1HG   GLU  87          2HG       GLU  87  -6.091   4.229   7.337
  668   2HG   GLU  87          1HG       GLU  87  -6.956   2.737   7.140
  669    H    THR  88           H        THR  88  -2.978   0.955   9.531
  670    HA   THR  88           HA       THR  88  -0.801   0.440   7.661
  671    HB   THR  88           HB       THR  88  -0.304   1.167  10.573
  672    HG1  THR  88           HG1      THR  88  -0.183   2.584   8.430
  673   1HG2  THR  88          1HG2      THR  88   2.083   0.558  10.124
  674   2HG2  THR  88          2HG2      THR  88   1.579  -0.209   8.600
  675   3HG2  THR  88          3HG2      THR  88   1.014  -0.842  10.165
  676    H    ILE  89           H        ILE  89  -0.941  -1.680   7.281
  677    HA   ILE  89           HA       ILE  89  -1.661  -3.584   9.458
  678    HB   ILE  89           HB       ILE  89  -1.975  -4.069   6.470
  679   1HG1  ILE  89          1HG1      ILE  89  -4.071  -2.973   8.388
  680   2HG1  ILE  89          2HG1      ILE  89  -3.311  -2.120   7.050
  681   1HG2  ILE  89          1HG2      ILE  89  -3.281  -5.362   8.910
  682   2HG2  ILE  89          2HG2      ILE  89  -1.884  -6.026   8.038
  683   3HG2  ILE  89          3HG2      ILE  89  -3.438  -5.893   7.223
  684   1HD1  ILE  89          1HD1      ILE  89  -5.452  -2.809   6.280
  685   2HD1  ILE  89          2HD1      ILE  89  -4.201  -3.733   5.426
  686   3HD1  ILE  89          3HD1      ILE  89  -5.149  -4.499   6.729
  687    H    ILE  90           H        ILE  90  -0.145  -5.228   9.658
  688    HA   ILE  90           HA       ILE  90   2.310  -5.173   7.931
  689    HB   ILE  90           HB       ILE  90   2.143  -5.149  10.978
  690   1HG1  ILE  90          2HG1      ILE  90   3.651  -3.246   9.138
  691   2HG1  ILE  90          1HG1      ILE  90   2.003  -2.929   9.689
  692   1HG2  ILE  90          1HG2      ILE  90   4.573  -5.575   9.172
  693   2HG2  ILE  90          2HG2      ILE  90   4.657  -5.273  10.915
  694   3HG2  ILE  90          3HG2      ILE  90   3.901  -6.740  10.334
  695   1HD1  ILE  90          1HD1      ILE  90   2.771  -3.036  12.053
  696   2HD1  ILE  90          2HD1      ILE  90   3.491  -1.722  11.104
  697   3HD1  ILE  90          3HD1      ILE  90   4.449  -3.159  11.472
  698    H    GLY  91           H        GLY  91   3.170  -7.142   7.450
  699   1HA   GLY  91          2HA       GLY  91   3.738  -9.361   7.887
  700   2HA   GLY  91          1HA       GLY  91   2.453  -9.509   9.093
  701    H    ALA  92           H        ALA  92   2.773 -11.500   7.309
  702    HA   ALA  92           HA       ALA  92   1.323 -11.265   4.854
  703   1HB   ALA  92          1HB       ALA  92   3.000 -13.028   5.300
  704   2HB   ALA  92          2HB       ALA  92   1.423 -13.731   4.875
  705   3HB   ALA  92          3HB       ALA  92   1.957 -13.709   6.568
  706    H    VAL  93           H        VAL  93  -0.838 -11.385   4.440
  707    HA   VAL  93           HA       VAL  93  -2.673 -12.631   6.327
  708    HB   VAL  93           HB       VAL  93  -3.924 -10.259   5.302
  709   1HG1  VAL  93          1HG1      VAL  93  -1.575  -9.562   7.120
  710   2HG1  VAL  93          2HG1      VAL  93  -1.661  -9.149   5.387
  711   3HG1  VAL  93          3HG1      VAL  93  -2.822  -8.455   6.525
  712   1HG2  VAL  93          1HG2      VAL  93  -3.413 -11.002   8.148
  713   2HG2  VAL  93          2HG2      VAL  93  -4.782 -11.512   7.129
  714   3HG2  VAL  93          3HG2      VAL  93  -4.575  -9.800   7.519
  715    HA   PRO  94           HA       PRO  94  -4.322 -13.337   2.153
  716   1HB   PRO  94          1HB       PRO  94  -7.046 -13.685   3.172
  717   2HB   PRO  94          2HB       PRO  94  -5.985 -14.889   2.404
  718   1HG   PRO  94          2HG       PRO  94  -6.622 -15.001   5.124
  719   2HG   PRO  94          1HG       PRO  94  -5.028 -15.515   4.494
  720   1HD   PRO  94          2HD       PRO  94  -5.785 -12.805   5.606
  721   2HD   PRO  94          1HD       PRO  94  -4.405 -13.798   6.097
  722    H    LYS  95           HN       LYS  95  -5.250 -11.807   0.742
  723    HA   LYS  95           HA       LYS  95  -5.524  -9.231   1.763
  724   1HB   LYS  95          2HB       LYS  95  -4.990  -9.806  -0.667
  725   2HB   LYS  95          1HB       LYS  95  -6.673 -10.303  -0.869
  726   1HG   LYS  95          1HG       LYS  95  -6.616  -8.144  -1.785
  727   2HG   LYS  95          2HG       LYS  95  -7.308  -7.874  -0.204
  728   1HD   LYS  95          2HD       LYS  95  -4.965  -7.183   0.568
  729   2HD   LYS  95          1HD       LYS  95  -4.450  -7.355  -1.120
  730   1HE   LYS  95          1HE       LYS  95  -6.258  -5.720  -1.790
  731   2HE   LYS  95          2HE       LYS  95  -6.672  -5.522  -0.081
  732   1HZ   LYS  95          1HZ       LYS  95  -5.259  -3.791  -0.802
  733   2HZ   LYS  95          2HZ       LYS  95  -4.429  -4.719   0.276
  734   3HZ   LYS  95          3HZ       LYS  95  -4.110  -4.838  -1.335
  735    H    ALA  96           H        ALA  96  -8.066 -11.654   1.201
  736    HA   ALA  96           HA       ALA  96 -10.390 -10.178   1.495
  737   1HB   ALA  96          1HB       ALA  96  -9.700 -12.796   2.907
  738   2HB   ALA  96          2HB       ALA  96 -10.317 -12.634   1.246
  739   3HB   ALA  96          3HB       ALA  96 -11.336 -12.165   2.620
  740    H    THR  97           H        THR  97  -7.990 -10.845   4.063
  741    HA   THR  97           HA       THR  97  -9.683  -9.846   6.242
  742    HB   THR  97           HB       THR  97  -6.678 -10.306   6.092
  743    HG1  THR  97           HG1      THR  97  -8.056 -12.155   5.687
  744   1HG2  THR  97          1HG2      THR  97  -8.587 -10.060   8.464
  745   2HG2  THR  97          2HG2      THR  97  -7.305  -8.904   8.031
  746   3HG2  THR  97          3HG2      THR  97  -6.883 -10.540   8.565
  747    H    ILE  98           H        ILE  98  -7.173  -8.608   4.032
  748    HA   ILE  98           HA       ILE  98  -6.853  -6.037   5.314
  749    HB   ILE  98           HB       ILE  98  -6.130  -7.139   2.565
  750   1HG1  ILE  98          1HG1      ILE  98  -4.397  -6.212   4.889
  751   2HG1  ILE  98          2HG1      ILE  98  -4.924  -7.886   4.694
  752   1HG2  ILE  98          1HG2      ILE  98  -5.691  -4.347   3.727
  753   2HG2  ILE  98          2HG2      ILE  98  -6.589  -4.750   2.256
  754   3HG2  ILE  98          3HG2      ILE  98  -4.845  -4.968   2.302
  755   1HD1  ILE  98          1HD1      ILE  98  -2.662  -7.576   3.847
  756   2HD1  ILE  98          2HD1      ILE  98  -3.221  -6.387   2.668
  757   3HD1  ILE  98          3HD1      ILE  98  -3.756  -8.073   2.553
  758    H    VAL  99           H        VAL  99  -8.922  -7.289   2.613
  759    HA   VAL  99           HA       VAL  99 -10.182  -4.858   1.964
  760    HB   VAL  99           HB       VAL  99 -11.430  -7.655   2.007
  761   1HG1  VAL  99          1HG1      VAL  99 -12.934  -6.702   0.258
  762   2HG1  VAL  99          2HG1      VAL  99 -13.159  -5.921   1.821
  763   3HG1  VAL  99          3HG1      VAL  99 -12.235  -5.097   0.550
  764   1HG2  VAL  99          1HG2      VAL  99 -10.878  -7.564  -0.462
  765   2HG2  VAL  99          2HG2      VAL  99  -9.479  -7.708   0.582
  766   3HG2  VAL  99          3HG2      VAL  99  -9.868  -6.134  -0.117
  767    H    GLN 100           H        GLN 100 -11.254  -7.357   4.361
  768    HA   GLN 100           HA       GLN 100 -13.404  -5.900   5.464
  769   1HB   GLN 100          2HB       GLN 100 -11.470  -7.919   6.660
  770   2HB   GLN 100          1HB       GLN 100 -12.843  -7.267   7.570
  771   1HG   GLN 100          1HG       GLN 100 -14.433  -8.098   6.035
  772