*HEADER    TOXIN                                   03-DEC-02   1NBL              
*TITLE     NMR STRUCTURE OF HELLETHIONIN D                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HELLETHIONIN D;                                            
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HELLEBORUS PURPURASCENS                         
*KEYWDS    GAMMA THIONINS HELLEBORUS                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.G.MILBRADT, F.KEREK, L.MORODER, C.RENNER                            
*REVDAT   1   11-MAR-03 1NBL    0                                                
!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_35:HG2*   1:VAL_35:HG1*   1:VAL_35:CG2    1:VAL_35:CG1    1:VAL_35:CB    
!
#distance
1:ARG_10:HN        1:ASN_6:O           1.000  2.500 50.00 50.00 1000.000
1:ASN_11:HN        1:THR_7:O           1.000  2.500 50.00 50.00 1000.000
1:CYS_12:HN        1:LEU_8:O           1.000  2.500 50.00 50.00 1000.000
1:TYR_13:HN        1:ALA_9:O           1.000  2.500 50.00 50.00 1000.000
1:ASN_14:HN        1:ARG_10:O          1.000  2.500 50.00 50.00 1000.000
1:ALA_15:HN        1:ASN_11:O          1.000  2.500 50.00 50.00 1000.000
1:CYS_16:HN        1:CYS_12:O          1.000  2.500 50.00 50.00 1000.000
1:PHE_18:HN        1:ASN_14:O          1.000  2.500 50.00 50.00 1000.000
1:THR_19:HN        1:ALA_15:O          1.000  2.500 50.00 50.00 1000.000
1:ILE_28:HN        1:PRO_24:O          1.000  2.500 50.00 50.00 1000.000
1:LEU_29:HN        1:THR_25:O          1.000  2.500 50.00 50.00 1000.000
1:CYS_30:HN        1:CYS_26:O          1.000  2.500 50.00 50.00 1000.000
1:ASP_31:HN        1:ILE_28:O          1.000  2.500 50.00 50.00 1000.000
1:CYS_32:HN        1:GLY_27:O          1.000  2.500 50.00 50.00 1000.000
1:ILE_33:HN        1:CYS_3:O           1.000  2.500 50.00 50.00 1000.000
1:VAL_35:HN        1:LY+N_1:O          1.000  2.500 50.00 50.00 1000.000
1:SER_46:HN        1:CYS_4:O           1.000  2.500 50.00 50.00 1000.000
!
#NOE_distance
1:VAL_35:HG2*      1:LY+N_1:HA         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:LY+N_1:HB*        1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:LY+N_1:HE*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:THR_39:HA        1:LY+N_1:HE*        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:LY+N_1:HA        1:LY+N_1:HZ*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:LY+N_1:HZ*        1.000  6.800  4.800 50.00 50.00 1000.000  0.00
1:THR_39:HA        1:LY+N_1:HZ*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:THR_39:HB        1:LY+N_1:HZ*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:SER_2:HA          1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:SER_2:HA          1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:HIS+_34:HA       1:SER_2:HB*         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:LY+N_1:HA        1:SER_2:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LY+N_1:HB*       1:SER_2:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:LY+N_1:HD*       1:SER_2:HN          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:LY+N_1:HG*       1:SER_2:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:LY+N_1:HZ*       1:SER_2:HN          1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:SER_2:HN          1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:LY+N_1:HD*       1:CYS_3:HA          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:CYS_3:HB*         1.000  5.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:CYS_3:HB*         1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:CYS_3:HB*         1.000  5.400  3.400 50.00 50.00 1000.000  0.00
1:LY+N_1:HD*       1:CYS_3:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_2:HA         1:CYS_3:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_2:HB*        1:CYS_3:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HN         1:CYS_3:HN          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:CYS_3:HN          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:CYS_3:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HN        1:CYS_3:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:HIS+_34:HA       1:CYS_3:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:CYS_3:HN          1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:CYS_3:HN          1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HN        1:CYS_3:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_4:HA          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_4:HA          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_5:HA         1:CYS_4:HA          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:CYS_4:HA          1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:CYS_4:HA          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:CYS_4:HB1         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_3:HA         1:CYS_4:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:CYS_4:HN          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_4:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_4:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_46:HN        1:CYS_4:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:ARG_5:HA          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:ARG_5:HA          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:ARG_5:HB*         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:ARG_5:HD*         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HN         1:ARG_5:HE          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ASP_31:HB*       1:ARG_5:HG*         1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:ARG_5:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_5:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:ARG_5:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HN         1:ARG_5:HN          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ASN_6:HN         1:ARG_5:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ARG_5:HN          1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:ASP_31:HB*       1:ARG_5:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:ARG_5:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:ARG_5:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HB*      1:ARG_5:HN          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HD2      1:ARG_5:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ASN_6:HA          1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HB1       1:ASN_6:HA          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:ASN_6:HA          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_5:HG*        1:ASN_6:HB*         1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HB         1:ASN_6:HB*         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ASN_6:HB*         1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_45:HG*       1:ASN_6:HB*         1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HB*        1:ASN_6:HD2*        1.000  6.600  4.800 50.00 50.00 1000.000  0.00
1:ARG_5:HG*        1:ASN_6:HD2*        1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HN         1:ASN_6:HD2*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:LEU_8:HD*        1:ASN_6:HD2*        1.000  7.300  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ASN_6:HD2*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HN         1:ASN_6:HD2*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:ASN_6:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ASN_6:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:ASN_6:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_5:HA         1:ASN_6:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HB*        1:ASN_6:HN          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ARG_5:HG*        1:ASN_6:HN          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:THR_7:HN         1:ASN_6:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ASN_6:HN          1.000  3.400  2.300 50.00 50.00 1000.000  0.00
1:ALA_9:HN         1:ASN_6:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HN        1:ASN_6:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_46:HB1       1:ASN_6:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:ASN_6:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_46:HN        1:ASN_6:HN          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:THR_7:HB         1:THR_7:HA          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:THR_7:HA          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HD*       1:THR_7:HA          1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:THR_7:HA          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:THR_7:HN          1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:ASN_6:HB*        1:THR_7:HN          1.000  3.200  2.300 50.00 50.00 1000.000  0.00
1:THR_7:HB         1:THR_7:HN          1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:LEU_8:HB2        1:THR_7:HN          1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:THR_7:HN          1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:SER_46:HB1       1:THR_7:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:THR_7:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_11:HB*       1:LEU_8:HA          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HB1         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASN_6:HB*        1:LEU_8:HB2         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:LEU_8:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HB*        1:LEU_8:HN          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:LEU_8:HN          1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:THR_7:HN         1:LEU_8:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_8:HB1        1:LEU_8:HN          1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:LEU_8:HB2        1:LEU_8:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_9:HN         1:LEU_8:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_5:HG*        1:ALA_9:HA          1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:LEU_8:HD*        1:ALA_9:HA          1.000  6.400  4.000 50.00 50.00 1000.000  0.00
1:CYS_12:HB*       1:ALA_9:HA          1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:ALA_9:HB*         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:LEU_8:HD*        1:ALA_9:HB*         1.000  6.300  2.800 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:ALA_9:HB*         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ASP_31:HB*       1:ALA_9:HB*         1.000  5.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:ALA_9:HB*         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:ALA_9:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:ALA_9:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HA         1:ALA_9:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:ALA_9:HN          1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:THR_7:HN         1:ALA_9:HN          1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:LEU_8:HA         1:ALA_9:HN          1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:LEU_8:HB1        1:ALA_9:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_8:HB2        1:ALA_9:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_8:HD*        1:ALA_9:HN          1.000  6.400  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HN        1:ALA_9:HN          1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_10:HA         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HB2        1:ARG_10:HA         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HD*       1:ARG_10:HA         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:ARG_10:HB*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:ARG_10:HB*        1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_10:HD*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_10:HE         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:ARG_10:HE         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HG*       1:ARG_10:HE         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:TYR_13:HD1,HD2,HE1,HE2 1:ARG_10:HE         1.000  5.900  3.400 50.00 50.00 1000.000  0.00
1:SER_2:HB*        1:ARG_10:HH*        1.000  6.600  4.800 50.00 50.00 1000.000  0.00
1:CYS_3:HA         1:ARG_10:HH*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_10:HH*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:CYS_4:HN         1:ARG_10:HH*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:ARG_10:HH*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:TYR_13:HD1,HD2,HE1,HE2 1:ARG_10:HH*        1.000  6.800  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:ARG_10:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:ARG_10:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:THR_7:HA         1:ARG_10:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ALA_9:HA         1:ARG_10:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ARG_10:HN         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:ARG_10:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:ARG_10:HD*       1:ARG_10:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HN        1:ARG_10:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:ARG_10:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_14:HB*       1:ASN_11:HA         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:ASN_11:HB*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:ASN_11:HB*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HA         1:ASN_11:HD2*       1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:ASN_11:HD2*       1.000  4.800  2.800 50.00 50.00 1000.000  0.00
1:LEU_8:HA         1:ASN_11:HD2*       1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:LEU_8:HD*        1:ASN_11:HD2*       1.000  7.300  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:ASN_11:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:LEU_8:HA         1:ASN_11:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:ASN_11:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:ASN_11:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:ASN_11:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HD*       1:ASN_11:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HG*       1:ASN_11:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HN        1:ASN_11:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:CYS_12:HA         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ALA_9:HA         1:CYS_12:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:TYR_13:HB*       1:CYS_12:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:TYR_13:HN        1:CYS_12:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:CYS_12:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:CYS_16:HB*       1:TYR_13:HA         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:TYR_13:HA         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:TYR_13:HA         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:TYR_13:HB*        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:TYR_13:HB*        1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:SER_2:HB*        1:TYR_13:HD1,HD2,HE1,HE2  1.000  7.400  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.500  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HA        1:TYR_13:HD1,HD2,HE1,HE2  1.000  5.300  2.800 50.00 50.00 1000.000  0.00
1:ARG_17:HB1       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.500  4.000 50.00 50.00 1000.000  0.00
1:ARG_17:HB2       1:TYR_13:HD1,HD2,HE1,HE2  1.000  5.900  3.400 50.00 50.00 1000.000  0.00
1:ARG_17:HG*       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.800  3.400 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:TYR_13:HD1,HD2,HE1,HE2  1.000  5.900  3.400 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.200  2.800 50.00 50.00 1000.000  0.00
1:GLY_27:HA*       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.200  2.800 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.800  3.400 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:TYR_13:HD1,HD2,HE1,HE2  1.000  6.200  2.800 50.00 50.00 1000.000  0.00
1:ALA_9:HA         1:TYR_13:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:TYR_13:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HA        1:TYR_13:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:TYR_13:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:ASN_11:HA        1:TYR_13:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_12:HA        1:TYR_13:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_12:HB*       1:TYR_13:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ASN_14:HN        1:TYR_13:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ALA_15:HN        1:TYR_13:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:TYR_13:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:TYR_13:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:ASN_14:HB*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:ASN_14:HD2*       1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HD*       1:ASN_14:HD2*       1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HG*       1:ASN_14:HD2*       1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:ASN_11:HA        1:ASN_14:HD2*       1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ASN_11:HA        1:ASN_14:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HA        1:ASN_14:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HB*       1:ASN_14:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:TYR_13:HD1,HD2,HE1,HE2 1:ASN_14:HN         1.000  6.500  4.000 50.00 50.00 1000.000  0.00
1:ASN_14:HB*       1:ASN_14:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:ASN_14:HD2*      1:ASN_14:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HN        1:ASN_14:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_16:HN        1:ASN_14:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_11:HA        1:ALA_15:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_14:HA        1:ALA_15:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ASN_14:HB*       1:ALA_15:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_16:HN        1:ALA_15:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_19:HB        1:CYS_16:HA         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:CYS_16:HB*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:CYS_16:HB*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:CYS_16:HB*        1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HD*       1:CYS_16:HB*        1.000  6.700  3.400 50.00 50.00 1000.000  0.00
1:CYS_12:HA        1:CYS_16:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HA        1:CYS_16:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HA        1:CYS_16:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:CYS_16:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ARG_17:HN        1:CYS_16:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:CYS_16:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:CYS_16:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:ASN_14:HA        1:ARG_17:HB1        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ASN_14:HA        1:ARG_17:HB2        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_17:HB1       1:ARG_17:HE         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_17:HB2       1:ARG_17:HE         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_17:HG*       1:ARG_17:HE         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ARG_17:HN        1:ARG_17:HE         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:SER_22:HA        1:ARG_17:HE         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:GLN_23:HG*       1:ARG_17:HE         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_17:HA        1:ARG_17:HH*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_22:HA        1:ARG_17:HH*        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:GLN_23:HB*       1:ARG_17:HH*        1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:GLN_23:HG*       1:ARG_17:HH*        1.000  6.600  4.800 50.00 50.00 1000.000  0.00
1:GLN_23:HN        1:ARG_17:HH*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:TYR_13:HA        1:ARG_17:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HA        1:ARG_17:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HN        1:ARG_17:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_16:HB*       1:ARG_17:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ARG_17:HB1       1:ARG_17:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_17:HB2       1:ARG_17:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PHE_18:HN        1:ARG_17:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:ARG_17:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:THR_19:HN        1:ARG_17:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:ARG_17:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HA        1:PHE_18:HB1        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:PHE_18:HB1        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:PHE_18:HB1        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ALA_15:HA        1:PHE_18:HB2        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:PHE_18:HB2        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:PHE_18:HB2        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:PHE_18:HD1,HE1,HZ,HE2,HD2  1.000  7.900  4.000 50.00 50.00 1000.000  0.00
1:PHE_18:HA        1:PHE_18:HD1,HE1,HZ,HE2,HD2  1.000  5.600  2.800 50.00 50.00 1000.000  0.00
1:THR_19:HA        1:PHE_18:HD1,HE1,HZ,HE2,HD2  1.000  6.200  3.400 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:PHE_18:HD1,HE1,HZ,HE2,HD2  1.000  6.700  2.800 50.00 50.00 1000.000  0.00
1:ARG_17:HB1       1:PHE_18:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PHE_18:HB1       1:PHE_18:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_18:HB2       1:PHE_18:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PHE_18:HD1,HE1,HZ,HE2,HD2 1:PHE_18:HN         1.000  6.800  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:PHE_18:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HN        1:PHE_18:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_19:HB        1:THR_19:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ALA_15:HB*       1:THR_19:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:PHE_18:HA        1:THR_19:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PHE_18:HB1       1:THR_19:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PHE_18:HB2       1:THR_19:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_19:HB        1:THR_19:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:THR_19:HN         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:THR_19:HA        1:GLY_20:HA*        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:GLY_21:HA*       1:GLY_20:HA*        1.000  6.600  4.800 50.00 50.00 1000.000  0.00
1:GLY_20:HA*       1:GLY_20:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:GLY_21:HA*       1:GLY_20:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:GLY_21:HN        1:GLY_20:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_25:HB        1:GLY_21:HA*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:GLY_21:HA*        1.000  6.000  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HA        1:GLY_21:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HB        1:GLY_21:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_19:HG2*      1:GLY_21:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:GLY_20:HA*       1:GLY_21:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:GLY_21:HA*       1:GLY_21:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HN        1:GLY_21:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:GLY_21:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:SER_22:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HB2       1:SER_22:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_24:HD2       1:SER_22:HB2        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:GLY_20:HA*       1:SER_22:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:GLY_21:HA*       1:SER_22:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:SER_22:HA        1:SER_22:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:SER_22:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_22:HB2       1:SER_22:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLN_23:HN        1:SER_22:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HB        1:SER_22:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:SER_22:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HN        1:SER_22:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:GLN_23:HG*       1:GLN_23:HA         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:PRO_24:HD2       1:GLN_23:HB*        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:SER_22:HA        1:GLN_23:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:GLN_23:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:GLN_23:HB*       1:GLN_23:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:GLN_23:HG*       1:GLN_23:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:PRO_24:HD1       1:GLN_23:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PRO_24:HD2       1:GLN_23:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HN        1:GLN_23:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_24:HB2       1:PRO_24:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:PRO_24:HD1        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_22:HB2       1:PRO_24:HD1        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:PRO_24:HD2        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:GLN_23:HG*       1:PRO_24:HD2        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HB        1:THR_25:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HB        1:THR_25:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:THR_25:HA         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HG1*      1:THR_25:HA         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_28:HG2*      1:THR_25:HA         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:SER_22:HA        1:THR_25:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:SER_22:HB1       1:THR_25:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_22:HB2       1:THR_25:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:PRO_24:HA        1:THR_25:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PRO_24:HB1       1:THR_25:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_24:HB2       1:THR_25:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:PRO_24:HD2       1:THR_25:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_24:HG*       1:THR_25:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HB        1:THR_25:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:CYS_26:HN        1:THR_25:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:THR_25:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:CYS_26:HA         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:LEU_29:HB*       1:CYS_26:HA         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HD*       1:CYS_26:HA         1.000  6.400  4.000 50.00 50.00 1000.000  0.00
1:LEU_29:HG        1:CYS_26:HA         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:THR_25:HA        1:CYS_26:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HB        1:CYS_26:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:CYS_26:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:GLY_27:HA*        1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:GLY_27:HA*        1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:TYR_13:HD1,HD2,HE1,HE2 1:GLY_27:HN         1.000  5.900  3.400 50.00 50.00 1000.000  0.00
1:GLN_23:HA        1:GLY_27:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_24:HA        1:GLY_27:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:GLY_27:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_26:HB*       1:GLY_27:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HN        1:GLY_27:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:GLY_27:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_28:HB        1:ILE_28:HA         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:ILE_28:HA         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HG2*      1:ILE_28:HA         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:ILE_28:HB         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:LEU_29:HA        1:ILE_28:HG2*       1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:PRO_24:HA        1:ILE_28:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HA        1:ILE_28:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:ILE_28:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:ILE_28:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:GLY_27:HA*       1:ILE_28:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HB        1:ILE_28:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:ILE_28:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HG1*      1:ILE_28:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HG2*      1:ILE_28:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HN        1:ILE_28:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_32:HN        1:ILE_28:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ILE_28:HB        1:LEU_29:HA         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:LEU_29:HD*       1:LEU_29:HA         1.000  5.200  2.800 50.00 50.00 1000.000  0.00
1:LEU_29:HA        1:LEU_29:HG         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_25:HA        1:LEU_29:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:LEU_29:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:LEU_29:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:GLY_27:HN        1:LEU_29:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ILE_28:HA        1:LEU_29:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HB        1:LEU_29:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_28:HD1*      1:LEU_29:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ILE_28:HG2*      1:LEU_29:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HD*       1:LEU_29:HN         1.000  5.800  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HG        1:LEU_29:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_30:HN        1:LEU_29:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_25:HG2*      1:CYS_30:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:CYS_26:HA        1:CYS_30:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HA        1:CYS_30:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HB*       1:CYS_30:HN         1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:LEU_29:HD*       1:CYS_30:HN         1.000  5.800  3.400 50.00 50.00 1000.000  0.00
1:LEU_29:HG        1:CYS_30:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASP_31:HN        1:CYS_30:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_32:HN        1:CYS_30:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:GLY_27:HA*       1:ASP_31:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_28:HA        1:ASP_31:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HG2*      1:ASP_31:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:LEU_29:HA        1:ASP_31:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_30:HA        1:ASP_31:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:ASP_31:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HN        1:ASP_31:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:CYS_32:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:GLY_27:HA*       1:CYS_32:HA         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:CYS_32:HA         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:CYS_32:HA         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:CYS_32:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ALA_9:HB*        1:CYS_32:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:TYR_13:HD1,HD2,HE1,HE2 1:CYS_32:HN         1.000  6.500  4.000 50.00 50.00 1000.000  0.00
1:GLY_27:HA*       1:CYS_32:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ILE_28:HA        1:CYS_32:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_30:HB*       1:CYS_32:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:ASP_31:HA        1:CYS_32:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ASP_31:HB*       1:CYS_32:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HB        1:ILE_33:HA         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:ILE_33:HA         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:ILE_33:HB         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:ILE_33:HB         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:ILE_33:HB         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HB1       1:ILE_33:HD1*       1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:SER_2:HA         1:ILE_33:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:ILE_33:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:ILE_33:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:ILE_33:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_32:HB*       1:ILE_33:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HN        1:ILE_33:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ILE_33:HB        1:ILE_33:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:ILE_33:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:ILE_33:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:HIS+_34:HA       1:ILE_33:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:HIS+_44:HD2      1:ILE_33:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_2:HA         1:HIS+_34:HA        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HB        1:HIS+_34:HA        1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:HIS+_34:HA        1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:HIS+_34:HA        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:HIS+_34:HA        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HA        1:HIS+_34:HB*       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HA        1:HIS+_34:HB*       1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HA        1:HIS+_34:HE1,HD2   1.000  6.200  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HN        1:HIS+_34:HE1,HD2   1.000  6.200  4.000 50.00 50.00 1000.000  0.00
1:THR_36:HG2*      1:HIS+_34:HE1,HD2   1.000  6.700  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HA        1:HIS+_34:HN        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HB        1:HIS+_34:HN        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:HIS+_34:HN        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:HIS+_34:HN        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HB        1:VAL_35:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:VAL_35:HA         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:VAL_35:HA         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:THR_37:HG2*      1:VAL_35:HB         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:VAL_35:HG1*       0.000  5.000  2.800 50.00 50.00 1000.000  0.00
1:THR_37:HA        1:VAL_35:HG1*       1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:CYS_40:HA        1:VAL_35:HG1*       1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:LY+N_1:HD*       1:VAL_35:HG2*       1.000  5.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_3:HA         1:VAL_35:HG2*       1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:THR_37:HA        1:VAL_35:HG2*       1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_37:HB        1:VAL_35:HG2*       1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:CYS_40:HA        1:VAL_35:HG2*       1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:LY+N_1:HA        1:VAL_35:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:LY+N_1:HD*       1:VAL_35:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:SER_2:HA         1:VAL_35:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:HIS+_34:HA       1:VAL_35:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:HIS+_34:HB*      1:VAL_35:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:HIS+_34:HN       1:VAL_35:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HB        1:VAL_35:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:VAL_35:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:VAL_35:HN         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:THR_36:HG2*      1:VAL_35:HN         1.000  5.900  4.800 50.00 50.00 1000.000  0.00
1:THR_37:HN        1:VAL_35:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:VAL_35:HA        1:THR_36:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:VAL_35:HB        1:THR_36:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:THR_36:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:THR_36:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:THR_37:HN        1:THR_36:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:THR_37:HB         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_37:HA        1:THR_37:HB         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HA        1:THR_37:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HB        1:THR_37:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:THR_37:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:THR_37:HN         1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:THR_36:HG2*      1:THR_37:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_37:HB        1:THR_37:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_38:HN        1:THR_37:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_38:HB        1:THR_38:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_37:HA        1:THR_38:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:THR_37:HB        1:THR_38:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_38:HB        1:THR_38:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_39:HN        1:THR_38:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_39:HA        1:THR_39:HB         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:THR_39:HN         1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:THR_37:HB        1:THR_39:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_37:HG2*      1:THR_39:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:THR_38:HB        1:THR_39:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:THR_39:HB        1:THR_39:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:THR_39:HG2*      1:THR_39:HN         1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_40:HN        1:THR_39:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HD1       1:CYS_40:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_41:HD2       1:CYS_40:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:CYS_40:HB*        1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:PRO_45:HA        1:CYS_40:HB*        1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:LY+N_1:HZ*       1:CYS_40:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:THR_39:HA        1:CYS_40:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:THR_39:HB        1:CYS_40:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_41:HD1       1:CYS_40:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:PRO_41:HD2       1:CYS_40:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:PRO_41:HD1        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:PRO_41:HD1        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:PRO_41:HD1        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:PRO_41:HD1        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_40:HB*       1:PRO_41:HD1        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HB*      1:PRO_41:HD1        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:PRO_41:HD2        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:PRO_41:HD2        1.000  3.900  2.800 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:PRO_41:HD2        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:CYS_40:HB*       1:PRO_41:HD2        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HB*      1:PRO_41:HD2        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:PRO_41:HG1        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:PRO_41:HG1        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:PRO_41:HG1        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:PRO_41:HG2        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:PRO_41:HG2        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:PRO_41:HG2        1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:VAL_35:HG2*      1:PRO_41:HG2        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HA        1:SER_42:HN         1.000  2.300  2.300 50.00 50.00 1000.000  0.00
1:PRO_41:HB1       1:SER_42:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_43:HN        1:SER_42:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_43:HB1       1:SER_43:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_43:HB2       1:SER_43:HA         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:SER_43:HA         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HA        1:SER_43:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HB1       1:SER_43:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_41:HB2       1:SER_43:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HG1       1:SER_43:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HG2       1:SER_43:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_42:HB*       1:SER_43:HN         1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:SER_43:HB1       1:SER_43:HN         1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_43:HB2       1:SER_43:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:HIS+_44:HN       1:SER_43:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:HIS+_44:HA        1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:CYS_3:HB*        1:HIS+_44:HB*       1.000  5.200  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:HIS+_44:HB*       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HA         1:HIS+_44:HB*       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:HIS+_44:HB*       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:HIS+_44:HB*       1.000  5.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:HIS+_44:HB*       1.000  5.800  4.000 50.00 50.00 1000.000  0.00
1:VAL_35:HG1*      1:HIS+_44:HB*       1.000  6.800  4.800 50.00 50.00 1000.000  0.00
1:PRO_41:HG1       1:HIS+_44:HB*       1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:HIS+_44:HB*       1.000  6.600  4.800 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:HIS+_44:HD2       1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ARG_5:HA         1:HIS+_44:HD2       1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_5:HD*        1:HIS+_44:HD2       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HG*        1:HIS+_44:HD2       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ASP_31:HB*       1:HIS+_44:HD2       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:CYS_32:HA        1:HIS+_44:HD2       1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:HIS+_44:HD2       1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HG1*      1:HIS+_44:HD2       1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:HIS+_44:HD2       1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:HIS+_44:HD2       1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:HIS+_44:HB*      1:HIS+_44:HD2       1.000  3.700  2.800 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:HIS+_44:HE1       1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HG2*      1:HIS+_44:HE1       1.000  4.500  3.400 50.00 50.00 1000.000  0.00
1:SER_43:HB1       1:HIS+_44:HE1       1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ILE_33:HD1*      1:HIS+_44:HN        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HB1       1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HD1       1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_41:HG2       1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_42:HB*       1:HIS+_44:HN        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_42:HN        1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_43:HA        1:HIS+_44:HN        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:SER_43:HB1       1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:SER_43:HB2       1:HIS+_44:HN        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:HIS+_44:HN        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:PRO_45:HD*        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:PRO_45:HG*        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:SER_46:HB1        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HA         1:SER_46:HB1        1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:THR_7:HG2*       1:SER_46:HB1        1.000  5.100  4.000 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:SER_46:HB1        1.000  4.300  3.400 50.00 50.00 1000.000  0.00
1:SER_46:HA        1:SER_46:HB1        1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:SER_46:HB2        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:ARG_10:HB*       1:SER_46:HB2        1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HA        1:SER_46:HB2        1.000  3.400  3.400 50.00 50.00 1000.000  0.00
1:CYS_4:HA         1:SER_46:HN         1.000  4.800  4.800 50.00 50.00 1000.000  0.00
1:CYS_4:HB1        1:SER_46:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ARG_5:HA         1:SER_46:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:ASN_6:HA         1:SER_46:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HA       1:SER_46:HN         1.000  4.000  4.000 50.00 50.00 1000.000  0.00
1:HIS+_44:HB*      1:SER_46:HN         1.000  5.700  4.800 50.00 50.00 1000.000  0.00
1:PRO_45:HD*       1:SER_46:HN         1.000  4.900  4.000 50.00 50.00 1000.000  0.00
1:SER_46:HB1       1:SER_46:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
1:SER_46:HB2       1:SER_46:HN         1.000  2.800  2.800 50.00 50.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1   2.893   9.326  -3.284
    2   2H    LYS   1          2H        LYS   1   2.742   9.307  -4.930
    3   3H    LYS   1          3H        LYS   1   1.535   8.711  -3.977
    4    HA   LYS   1           HA       LYS   1   2.744   6.976  -4.986
    5   1HB   LYS   1          1HB       LYS   1   4.960   8.620  -4.597
    6   2HB   LYS   1          2HB       LYS   1   5.217   7.359  -3.399
    7   1HG   LYS   1          1HG       LYS   1   4.818   6.932  -6.380
    8   2HG   LYS   1          2HG       LYS   1   6.338   6.909  -5.480
    9   1HD   LYS   1          1HD       LYS   1   5.324   4.985  -4.076
   10   2HD   LYS   1          2HD       LYS   1   4.032   4.923  -5.276
   11   1HE   LYS   1          1HE       LYS   1   5.629   3.285  -5.970
   12   2HE   LYS   1          2HE       LYS   1   5.857   4.649  -7.076
   13   1HZ   LYS   1          1HZ       LYS   1   7.484   4.088  -4.698
   14   2HZ   LYS   1          2HZ       LYS   1   7.907   3.768  -6.257
   15   3HZ   LYS   1          3HZ       LYS   1   7.717   5.329  -5.762
   16    H    SER   2           H        SER   2   2.347   5.066  -4.007
   17    HA   SER   2           HA       SER   2   2.278   4.760  -1.032
   18   1HB   SER   2          1HB       SER   2  -0.010   5.352  -1.745
   19   2HB   SER   2          2HB       SER   2   0.033   4.100  -3.002
   20    HG   SER   2           HG       SER   2   0.262   3.675  -0.206
   21    H    CYS   3           H        CYS   3   3.231   2.932  -0.425
   22    HA   CYS   3           HA       CYS   3   3.768   0.795  -2.431
   23   1HB   CYS   3          1HB       CYS   3   5.598   2.128  -0.408
   24   2HB   CYS   3          2HB       CYS   3   6.010   0.663  -1.291
   25    H    CYS   4           H        CYS   4   3.654  -1.349  -1.647
   26    HA   CYS   4           HA       CYS   4   2.426  -1.756   0.995
   27   1HB   CYS   4          1HB       CYS   4   2.149  -3.034  -1.730
   28   2HB   CYS   4          2HB       CYS   4   1.489  -3.726  -0.285
   29    H    ARG   5           H        ARG   5   2.911  -3.510   2.193
   30    HA   ARG   5           HA       ARG   5   5.626  -4.132   1.855
   31   1HB   ARG   5          1HB       ARG   5   5.702  -5.159   3.944
   32   2HB   ARG   5          2HB       ARG   5   4.915  -3.572   3.968
   33   1HG   ARG   5          1HG       ARG   5   2.672  -4.760   4.039
   34   2HG   ARG   5          2HG       ARG   5   3.561  -6.297   4.185
   35   1HD   ARG   5          1HD       ARG   5   4.856  -5.272   6.112
   36   2HD   ARG   5          2HD       ARG   5   3.816  -3.844   5.995
   37    HE   ARG   5           HE       ARG   5   2.094  -6.044   6.207
   38   1HH1  ARG   5          1HH1      ARG   5   4.555  -4.521   8.280
   39   2HH1  ARG   5          2HH1      ARG   5   3.795  -5.044   9.765
   40   1HH2  ARG   5          1HH2      ARG   5   1.138  -6.725   8.160
   41   2HH2  ARG   5          2HH2      ARG   5   1.854  -6.294   9.699
   42    H    ASN   6           H        ASN   6   3.173  -5.535   0.331
   43    HA   ASN   6           HA       ASN   6   4.847  -6.955  -1.001
   44   1HB   ASN   6          1HB       ASN   6   3.624  -9.380  -0.661
   45   2HB   ASN   6          2HB       ASN   6   5.114  -8.932   0.143
   46   1HD2  ASN   6          2HD2      ASN   6   1.769  -7.862   0.986
   47   2HD2  ASN   6          1HD2      ASN   6   1.791  -8.569   2.586
   48    H    THR   7           H        THR   7   3.886  -8.314  -2.612
   49    HA   THR   7           HA       THR   7   2.086  -6.693  -4.208
   50    HB   THR   7           HB       THR   7   3.180  -9.378  -4.567
   51    HG1  THR   7           HG1      THR   7   4.535  -8.239  -6.032
   52   1HG2  THR   7          1HG2      THR   7   2.490  -8.879  -6.992
   53   2HG2  THR   7          2HG2      THR   7   1.132  -9.134  -5.872
   54   3HG2  THR   7          3HG2      THR   7   1.593  -7.475  -6.335
   55    H    LEU   8           H        LEU   8   1.811  -9.380  -1.983
   56    HA   LEU   8           HA       LEU   8  -0.897 -10.156  -2.204
   57   1HB   LEU   8          1HB       LEU   8   1.389 -10.633  -0.611
   58   2HB   LEU   8          2HB       LEU   8   0.470  -9.764   0.486
   59    HG   LEU   8           HG       LEU   8  -0.522 -12.320  -0.816
   60   1HD1  LEU   8          1HD2      LEU   8   1.276 -12.619   0.880
   61   2HD1  LEU   8          2HD2      LEU   8   0.356 -11.643   2.041
   62   3HD1  LEU   8          3HD2      LEU   8  -0.273 -13.215   1.501
   63   1HD2  LEU   8          1HD1      LEU   8  -2.432 -10.841  -0.379
   64   2HD2  LEU   8          2HD1      LEU   8  -2.400 -12.095   0.859
   65   3HD2  LEU   8          3HD1      LEU   8  -1.827 -10.461   1.252
   66    H    ALA   9           H        ALA   9   0.837  -7.705  -0.529
   67    HA   ALA   9           HA       ALA   9  -1.521  -6.758   1.009
   68   1HB   ALA   9          1HB       ALA   9   0.463  -6.496   2.154
   69   2HB   ALA   9          2HB       ALA   9   1.243  -5.638   0.793
   70   3HB   ALA   9          3HB       ALA   9  -0.069  -4.853   1.684
   71    H    ARG  10           H        ARG  10   0.333  -5.566  -1.641
   72    HA   ARG  10           HA       ARG  10  -1.068  -3.416  -2.663
   73   1HB   ARG  10          1HB       ARG  10   1.147  -4.193  -3.279
   74   2HB   ARG  10          2HB       ARG  10   0.453  -5.741  -3.709
   75   1HG   ARG  10          1HG       ARG  10   1.179  -4.448  -5.680
   76   2HG   ARG  10          2HG       ARG  10  -0.514  -4.969  -5.711
   77   1HD   ARG  10          1HD       ARG  10  -0.241  -2.683  -6.366
   78   2HD   ARG  10          2HD       ARG  10  -1.252  -2.872  -4.892
   79    HE   ARG  10           HE       ARG  10   1.366  -2.322  -4.040
   80   1HH1  ARG  10          1HH1      ARG  10  -1.293  -0.567  -5.637
   81   2HH1  ARG  10          2HH1      ARG  10  -0.849   0.956  -4.904
   82   1HH2  ARG  10          1HH2      ARG  10   1.910  -0.340  -3.127
   83   2HH2  ARG  10          2HH2      ARG  10   0.981   1.090  -3.498
   84    H    ASN  11           H        ASN  11  -1.660  -6.853  -2.977
   85    HA   ASN  11           HA       ASN  11  -3.870  -6.507  -4.890
   86   1HB   ASN  11          1HB       ASN  11  -3.013  -8.951  -3.292
   87   2HB   ASN  11          2HB       ASN  11  -4.397  -8.925  -4.388
   88   1HD2  ASN  11          2HD2      ASN  11  -2.359 -10.742  -4.802
   89   2HD2  ASN  11          1HD2      ASN  11  -1.494 -10.299  -6.265
   90    H    CYS  12           H        CYS  12  -3.813  -7.354  -1.409
   91    HA   CYS  12           HA       CYS  12  -6.404  -6.927  -0.611
   92   1HB   CYS  12          1HB       CYS  12  -4.771  -7.831   0.875
   93   2HB   CYS  12          2HB       CYS  12  -3.745  -6.422   0.739
   94    H    TYR  13           H        TYR  13  -3.866  -4.556  -1.061
   95    HA   TYR  13           HA       TYR  13  -5.390  -2.277  -0.227
   96   1HB   TYR  13          1HB       TYR  13  -3.003  -2.236  -0.154
   97   2HB   TYR  13          2HB       TYR  13  -2.868  -2.558  -1.870
   98    HD1  TYR  13           HD1      TYR  13  -3.152   0.042   0.653
   99    HD2  TYR  13           HD2      TYR  13  -3.284  -0.817  -3.569
  100    HE1  TYR  13           HE1      TYR  13  -2.881   2.459   0.160
  101    HE2  TYR  13           HE2      TYR  13  -3.038   1.600  -4.072
  102    HH   TYR  13           HH       TYR  13  -2.813   4.087  -1.493
  103    H    ASN  14           H        ASN  14  -4.802  -3.555  -3.480
  104    HA   ASN  14           HA       ASN  14  -6.311  -1.554  -4.910
  105   1HB   ASN  14          1HB       ASN  14  -5.464  -4.383  -5.668
  106   2HB   ASN  14          2HB       ASN  14  -6.180  -3.217  -6.785
  107   1HD2  ASN  14          2HD2      ASN  14  -3.524  -4.553  -6.919
  108   2HD2  ASN  14          1HD2      ASN  14  -2.352  -3.253  -7.005
  109    H    ALA  15           H        ALA  15  -6.961  -4.536  -3.284
  110    HA   ALA  15           HA       ALA  15  -9.716  -4.855  -4.154
  111   1HB   ALA  15          1HB       ALA  15  -8.385  -6.804  -3.389
  112   2HB   ALA  15          2HB       ALA  15  -8.258  -6.067  -1.771
  113   3HB   ALA  15          3HB       ALA  15  -9.840  -6.554  -2.391
  114    H    CYS  16           H        CYS  16  -8.118  -3.356  -1.184
  115    HA   CYS  16           HA       CYS  16 -10.677  -2.812   0.026
  116   1HB   CYS  16          1HB       CYS  16  -9.008  -2.790   1.578
  117   2HB   CYS  16          2HB       CYS  16  -7.794  -2.117   0.490
  118    H    ARG  17           H        ARG  17  -8.633  -1.359  -2.446
  119    HA   ARG  17           HA       ARG  17  -9.992   1.181  -2.521
  120   1HB   ARG  17          2HB       ARG  17  -7.594   0.784  -3.287
  121   2HB   ARG  17          1HB       ARG  17  -8.248  -0.105  -4.647
  122   1HG   ARG  17          1HG       ARG  17  -7.813   1.950  -5.598
  123   2HG   ARG  17          2HG       ARG  17  -9.518   2.139  -5.206
  124   1HD   ARG  17          1HD       ARG  17  -7.119   3.147  -3.588
  125   2HD   ARG  17          2HD       ARG  17  -8.177   4.144  -4.579
  126    HE   ARG  17           HE       ARG  17  -8.742   2.880  -1.975
  127   1HH1  ARG  17          1HH1      ARG  17 -10.143   4.779  -4.656
  128   2HH1  ARG  17          2HH1      ARG  17 -11.641   5.047  -3.808
  129   1HH2  ARG  17          1HH2      ARG  17 -10.713   3.253  -0.920
  130   2HH2  ARG  17          2HH2      ARG  17 -11.956   4.203  -1.696
  131    H    PHE  18           H        PHE  18 -10.416  -1.981  -4.061
  132    HA   PHE  18           HA       PHE  18 -12.607  -1.326  -5.777
  133   1HB   PHE  18          1HB       PHE  18 -11.254  -3.585  -5.472
  134   2HB   PHE  18          2HB       PHE  18 -12.394  -3.960  -4.254
  135    HD1  PHE  18           HD1      PHE  18 -14.827  -4.203  -4.676
  136    HD2  PHE  18           HD2      PHE  18 -11.974  -3.621  -7.869
  137    HE1  PHE  18           HE1      PHE  18 -16.502  -5.001  -6.326
  138    HE2  PHE  18           HE2      PHE  18 -13.646  -4.434  -9.513
  139    HZ   PHE  18           HZ       PHE  18 -15.917  -5.131  -8.747
  140    H    THR  19           H        THR  19 -12.460  -2.661  -2.396
  141    HA   THR  19           HA       THR  19 -15.201  -2.359  -1.862
  142    HB   THR  19           HB       THR  19 -14.721  -3.049   0.250
  143    HG1  THR  19           HG1      THR  19 -12.322  -1.745   0.065
  144   1HG2  THR  19          1HG2      THR  19 -12.302  -4.421  -0.573
  145   2HG2  THR  19          2HG2      THR  19 -13.879  -5.054  -0.159
  146   3HG2  THR  19          3HG2      THR  19 -13.582  -4.497  -1.801
  147    H    GLY  20           H        GLY  20 -15.839  -1.230   0.309
  148   1HA   GLY  20          1HA       GLY  20 -15.797   1.700  -0.145
  149   2HA   GLY  20          2HA       GLY  20 -16.846   0.781   0.944
  150    H    GLY  21           H        GLY  21 -13.408   0.202   0.747
  151   1HA   GLY  21          1HA       GLY  21 -12.768   1.349   3.392
  152   2HA   GLY  21          2HA       GLY  21 -11.880   0.076   2.532
  153    H    SER  22           H        SER  22 -11.908   3.328   3.088
  154    HA   SER  22           HA       SER  22 -11.099   4.608   0.769
  155   1HB   SER  22          1HB       SER  22 -10.232   6.270   2.458
  156   2HB   SER  22          2HB       SER  22 -11.870   5.928   2.598
  157    HG   SER  22           HG       SER  22  -9.949   4.593   4.170
  158    H    GLN  23           H        GLN  23  -9.087   5.580   0.920
  159    HA   GLN  23           HA       GLN  23  -6.999   3.708   0.112
  160   1HB   GLN  23          1HB       GLN  23  -7.381   5.850  -1.102
  161   2HB   GLN  23          2HB       GLN  23  -6.723   6.740   0.278
  162   1HG   GLN  23          1HG       GLN  23  -4.559   5.529   0.013
  163   2HG   GLN  23          2HG       GLN  23  -5.255   4.560  -1.287
  164   1HE2  GLN  23          2HE2      GLN  23  -4.657   8.008  -0.364
  165   2HE2  GLN  23          1HE2      GLN  23  -4.300   8.548  -1.990
  166    HA   PRO  24           HA       PRO  24  -4.959   5.187   4.276
  167   1HB   PRO  24          1HB       PRO  24  -7.618   5.764   5.712
  168   2HB   PRO  24          2HB       PRO  24  -6.053   6.439   6.033
  169   1HG   PRO  24          1HG       PRO  24  -7.916   7.885   4.665
  170   2HG   PRO  24          2HG       PRO  24  -6.276   7.828   3.930
  171   1HD   PRO  24          1HD       PRO  24  -8.539   5.860   3.517
  172   2HD   PRO  24          2HD       PRO  24  -7.906   6.884   2.239
  173    H    THR  25           H        THR  25  -8.210   4.012   4.575
  174    HA   THR  25           HA       THR  25  -7.724   1.865   6.399
  175    HB   THR  25           HB       THR  25  -9.718   2.215   4.290
  176    HG1  THR  25           HG1      THR  25  -9.904   2.288   7.099
  177   1HG2  THR  25          1HG2      THR  25 -10.967   0.232   5.378
  178   2HG2  THR  25          2HG2      THR  25  -9.492  -0.239   4.536
  179   3HG2  THR  25          3HG2      THR  25  -9.478  -0.061   6.300
  180    H    CYS  26           H        CYS  26  -7.241   1.989   2.952
  181    HA   CYS  26           HA       CYS  26  -6.542  -0.819   2.711
  182   1HB   CYS  26          1HB       CYS  26  -5.654   1.429   0.823
  183   2HB   CYS  26          2HB       CYS  26  -5.741  -0.289   0.489
  184    H    GLY  27           H        GLY  27  -4.533   2.075   2.811
  185   1HA   GLY  27          1HA       GLY  27  -2.119   0.633   3.166
  186   2HA   GLY  27          2HA       GLY  27  -2.329   2.348   3.555
  187    H    ILE  28           H        ILE  28  -4.622   1.324   5.505
  188    HA   ILE  28           HA       ILE  28  -2.848   0.590   7.685
  189    HB   ILE  28           HB       ILE  28  -5.864   0.868   7.522
  190   1HG1  ILE  28          1HG1      ILE  28  -3.929   2.559   9.201
  191   2HG1  ILE  28          2HG1      ILE  28  -4.145   2.946   7.500
  192   1HG2  ILE  28          1HG2      ILE  28  -4.153   0.112   9.882
  193   2HG2  ILE  28          2HG2      ILE  28  -5.823   0.747  10.036
  194   3HG2  ILE  28          3HG2      ILE  28  -5.535  -0.766   9.191
  195   1HD1  ILE  28          1HD1      ILE  28  -6.574   3.204   7.812
  196   2HD1  ILE  28          2HD1      ILE  28  -6.397   2.850   9.539
  197   3HD1  ILE  28          3HD1      ILE  28  -5.642   4.300   8.848
  198    H    LEU  29           H        LEU  29  -5.597  -0.948   6.133
  199    HA   LEU  29           HA       LEU  29  -5.493  -3.166   7.963
  200   1HB   LEU  29          1HB       LEU  29  -6.940  -2.996   5.280
  201   2HB   LEU  29          2HB       LEU  29  -7.113  -4.339   6.413
  202    HG   LEU  29           HG       LEU  29  -7.784  -1.471   6.993
  203   1HD1  LEU  29          1HD1      LEU  29  -9.313  -2.526   5.318
  204   2HD1  LEU  29          2HD1      LEU  29  -9.599  -3.880   6.424
  205   3HD1  LEU  29          3HD1      LEU  29 -10.176  -2.262   6.848
  206   1HD2  LEU  29          1HD2      LEU  29  -8.266  -3.980   8.667
  207   2HD2  LEU  29          2HD2      LEU  29  -7.269  -2.574   9.116
  208   3HD2  LEU  29          3HD2      LEU  29  -9.013  -2.406   8.998
  209    H    CYS  30           H        CYS  30  -4.552  -2.533   4.726
  210    HA   CYS  30           HA       CYS  30  -3.179  -5.137   4.311
  211   1HB   CYS  30          1HB       CYS  30  -3.134  -2.757   2.452
  212   2HB   CYS  30          2HB       CYS  30  -2.785  -4.431   2.104
  213    H    ASP  31           H        ASP  31  -2.330  -2.295   5.998
  214    HA   ASP  31           HA       ASP  31  -0.364  -1.432   6.664
  215   1HB   ASP  31          1HB       ASP  31   0.719  -4.202   5.997
  216   2HB   ASP  31          2HB       ASP  31   1.472  -3.018   7.064
  217    HD2  ASP  31           HD2      ASP  31  -0.857  -3.503   9.690
  218    H    CYS  32           H        CYS  32  -0.966  -0.611   4.221
  219    HA   CYS  32           HA       CYS  32   1.706  -0.373   2.772
  220   1HB   CYS  32          1HB       CYS  32  -0.874   0.651   1.580
  221   2HB   CYS  32          2HB       CYS  32   0.665   0.453   0.846
  222    H    ILE  33           H        ILE  33   2.193   1.976   1.939
  223    HA   ILE  33           HA       ILE  33   1.610   3.911   4.155
  224    HB   ILE  33           HB       ILE  33   4.077   4.445   4.064
  225   1HG1  ILE  33          1HG1      ILE  33   4.387   1.780   2.647
  226   2HG1  ILE  33          2HG1      ILE  33   4.374   3.306   1.759
  227   1HG2  ILE  33          1HG2      ILE  33   4.735   2.631   5.540
  228   2HG2  ILE  33          2HG2      ILE  33   3.072   3.106   5.866
  229   3HG2  ILE  33          3HG2      ILE  33   3.392   1.627   4.950
  230   1HD1  ILE  33          1HD1      ILE  33   6.330   4.080   3.022
  231   2HD1  ILE  33          2HD1      ILE  33   6.340   2.591   3.973
  232   3HD1  ILE  33          3HD1      ILE  33   6.646   2.520   2.225
  233    H    HIS  34           H        HIS  34   3.212   5.946   3.249
  234    HA   HIS  34           HA       HIS  34   2.615   6.362   0.440
  235   1HB   HIS  34          1HB       HIS  34   0.749   7.487   1.662
  236   2HB   HIS  34          2HB       HIS  34   1.919   8.449   2.562
  237    HD1  HIS  34           HD1      HIS  34   3.613   9.947   0.841
  238    HD2  HIS  34           HD2      HIS  34  -0.116   8.608  -0.629
  239    HE1  HIS  34           HE1      HIS  34   3.076  11.328  -1.242
  240    HE2  HIS  34           HE2      HIS  34   0.805  10.533  -2.132
  241    H    VAL  35           H        VAL  35   4.498   6.707  -0.484
  242    HA   VAL  35           HA       VAL  35   6.713   7.987   1.075
  243    HB   VAL  35           HB       VAL  35   8.235   7.101  -0.411
  244   1HG1  VAL  35          1HG1      VAL  35   6.648   4.904   0.793
  245   2HG1  VAL  35          2HG1      VAL  35   8.372   4.901   0.377
  246   3HG1  VAL  35          3HG1      VAL  35   7.811   5.991   1.649
  247   1HG2  VAL  35          1HG2      VAL  35   7.254   6.613  -2.485
  248   2HG2  VAL  35          2HG2      VAL  35   7.728   5.052  -1.778
  249   3HG2  VAL  35          3HG2      VAL  35   6.037   5.527  -1.736
  250    H    THR  36           H        THR  36   7.836   9.540   0.289
  251    HA   THR  36           HA       THR  36   7.473  10.391  -2.513
  252    HB   THR  36           HB       THR  36   8.166  12.682  -1.964
  253    HG1  THR  36           HG1      THR  36   8.050  13.346   0.222
  254   1HG2  THR  36          1HG2      THR  36   6.012  13.422  -1.116
  255   2HG2  THR  36          2HG2      THR  36   5.763  12.018  -2.190
  256   3HG2  THR  36          3HG2      THR  36   5.674  11.819  -0.429
  257    H    THR  37           H        THR  37   8.771   8.200  -1.731
  258    HA   THR  37           HA       THR  37  11.411   8.363  -1.079
  259    HB   THR  37           HB       THR  37  11.534   6.144  -2.186
  260    HG1  THR  37           HG1      THR  37   9.741   6.433  -3.443
  261   1HG2  THR  37          1HG2      THR  37  10.516   5.061  -0.264
  262   2HG2  THR  37          2HG2      THR  37  11.756   6.256   0.071
  263   3HG2  THR  37          3HG2      THR  37  10.094   6.677   0.373
  264    H    THR  38           H        THR  38  12.718   7.377  -2.808
  265    HA   THR  38           HA       THR  38  12.858   8.418  -5.575
  266    HB   THR  38           HB       THR  38  14.292   6.096  -4.502
  267    HG1  THR  38           HG1      THR  38  14.842   7.981  -3.361
  268   1HG2  THR  38          1HG2      THR  38  14.882   7.874  -6.909
  269   2HG2  THR  38          2HG2      THR  38  15.868   6.509  -6.367
  270   3HG2  THR  38          3HG2      THR  38  14.245   6.221  -7.004
  271    H    THR  39           H        THR  39  11.844   5.262  -3.931
  272    HA   THR  39           HA       THR  39  10.001   4.370  -5.874
  273    HB   THR  39           HB       THR  39  12.303   2.722  -5.276
  274    HG1  THR  39           HG1      THR  39  13.480   3.366  -7.129
  275   1HG2  THR  39          1HG2      THR  39  10.487   1.709  -6.510
  276   2HG2  THR  39          2HG2      THR  39  10.557   3.009  -7.723
  277   3HG2  THR  39          3HG2      THR  39  11.885   1.832  -7.591
  278    H    CYS  40           H        CYS  40   9.446   2.230  -5.084
  279    HA   CYS  40           HA       CYS  40   8.557   2.381  -2.464
  280   1HB   CYS  40          1HB       CYS  40   8.598   0.017  -4.386
  281   2HB   CYS  40          2HB       CYS  40   7.886  -0.095  -2.782
  282    HA   PRO  41           HA       PRO  41  12.285   1.398  -0.374
  283   1HB   PRO  41          1HB       PRO  41  11.451   1.610   2.201
  284   2HB   PRO  41          2HB       PRO  41  11.418   2.988   1.076
  285   1HG   PRO  41          1HG       PRO  41   9.124   1.116   1.727
  286   2HG   PRO  41          2HG       PRO  41   9.129   2.904   1.794
  287   1HD   PRO  41          1HD       PRO  41   8.201   1.682  -0.428
  288   2HD   PRO  41          2HD       PRO  41   9.251   3.121  -0.540
  289    H    SER  42           H        SER  42  13.158   0.142   1.363
  290    HA   SER  42           HA       SER  42  12.965  -2.690   1.148
  291   1HB   SER  42          1HB       SER  42  14.031  -0.854   3.333
  292   2HB   SER  42          2HB       SER  42  14.318  -2.608   3.246
  293    HG   SER  42           HG       SER  42  16.039  -1.399   2.324
  294    H    SER  43           H        SER  43  11.283  -0.256   3.183
  295    HA   SER  43           HA       SER  43  10.399  -2.193   5.173
  296   1HB   SER  43          2HB       SER  43  10.777   0.214   5.674
  297   2HB   SER  43          1HB       SER  43   9.294   0.493   4.762
  298    HG   SER  43           HG       SER  43   8.239  -0.972   6.195
  299    H    HIS  44           H        HIS  44   9.374  -1.030   2.122
  300    HA   HIS  44           HA       HIS  44   6.865  -2.652   2.186
  301   1HB   HIS  44          1HB       HIS  44   6.923   0.298   1.536
  302   2HB   HIS  44          2HB       HIS  44   5.593  -0.800   1.164
  303    HD1  HIS  44           HD1      HIS  44   7.505   0.539   4.181
  304    HD2  HIS  44           HD2      HIS  44   3.940  -1.427   3.175
  305    HE1  HIS  44           HE1      HIS  44   6.240   0.228   6.342
  306    HE2  HIS  44           HE2      HIS  44   3.992  -0.926   5.766
  307    HA   PRO  45           HA       PRO  45   9.568  -2.901  -1.648
  308   1HB   PRO  45          1HB       PRO  45   9.167  -5.563  -2.343
  309   2HB   PRO  45          2HB       PRO  45  10.353  -4.972  -1.156
  310   1HG   PRO  45          1HG       PRO  45   7.552  -5.982  -0.591
  311   2HG   PRO  45          2HG       PRO  45   9.080  -6.483   0.188
  312   1HD   PRO  45          1HD       PRO  45   7.554  -4.680   1.383
  313   2HD   PRO  45          2HD       PRO  45   9.296  -4.355   1.301
  314    H    SER  46           H        SER  46   6.046  -3.837  -1.551
  315    HA   SER  46           HA       SER  46   5.911  -3.806  -4.498
  316   1HB   SER  46          1HB       SER  46   4.790  -5.642  -3.346
  317   2HB   SER  46          2HB       SER  46   3.940  -4.552  -2.294
  318    HG   SER  46           HG       SER  46   3.003  -3.706  -4.294
  319    HXT  SER  46           HO        OH  47   3.649  -1.012  -4.613
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1   2.196   9.142  -3.692
    2   2H    LYS   1          2H        LYS   1   3.822   9.240  -3.436
    3   3H    LYS   1          3H        LYS   1   3.209   9.438  -4.957
    4    HA   LYS   1           HA       LYS   1   2.476   7.209  -5.019
    5   1HB   LYS   1          1HB       LYS   1   4.735   7.946  -5.781
    6   2HB   LYS   1          2HB       LYS   1   5.396   7.239  -4.316
    7   1HG   LYS   1          1HG       LYS   1   3.521   5.454  -5.849
    8   2HG   LYS   1          2HG       LYS   1   4.915   5.946  -6.772
    9   1HD   LYS   1          1HD       LYS   1   5.129   4.815  -3.960
   10   2HD   LYS   1          2HD       LYS   1   5.103   3.784  -5.403
   11   1HE   LYS   1          1HE       LYS   1   7.170   5.994  -4.897
   12   2HE   LYS   1          2HE       LYS   1   7.427   4.275  -4.596
   13   1HZ   LYS   1          1HZ       LYS   1   8.266   4.959  -6.707
   14   2HZ   LYS   1          2HZ       LYS   1   7.035   3.870  -6.898
   15   3HZ   LYS   1          3HZ       LYS   1   6.784   5.477  -7.183
   16    H    SER   2           H        SER   2   2.497   5.036  -4.096
   17    HA   SER   2           HA       SER   2   2.549   4.800  -1.114
   18   1HB   SER   2          1HB       SER   2   0.115   4.377  -2.922
   19   2HB   SER   2          2HB       SER   2   0.235   3.850  -1.229
   20    HG   SER   2           HG       SER   2   0.483   6.520  -2.146
   21    H    CYS   3           H        CYS   3   3.243   2.921  -0.430
   22    HA   CYS   3           HA       CYS   3   3.776   0.786  -2.440
   23   1HB   CYS   3          1HB       CYS   3   5.552   1.970  -0.297
   24   2HB   CYS   3          2HB       CYS   3   5.950   0.589  -1.316
   25    H    CYS   4           H        CYS   4   3.565  -1.369  -1.685
   26    HA   CYS   4           HA       CYS   4   2.416  -1.789   0.998
   27   1HB   CYS   4          1HB       CYS   4   2.099  -3.102  -1.703
   28   2HB   CYS   4          2HB       CYS   4   1.464  -3.749  -0.230
   29    H    ARG   5           H        ARG   5   2.952  -3.500   2.220
   30    HA   ARG   5           HA       ARG   5   5.668  -4.116   1.838
   31   1HB   ARG   5          1HB       ARG   5   5.730  -5.276   3.908
   32   2HB   ARG   5          2HB       ARG   5   5.085  -3.625   3.975
   33   1HG   ARG   5          1HG       ARG   5   2.745  -4.655   4.063
   34   2HG   ARG   5          2HG       ARG   5   3.555  -6.237   4.226
   35   1HD   ARG   5          1HD       ARG   5   4.944  -5.205   6.110
   36   2HD   ARG   5          2HD       ARG   5   3.920  -3.761   5.980
   37    HE   ARG   5           HE       ARG   5   2.209  -5.988   6.274
   38   1HH1  ARG   5          1HH1      ARG   5   4.620  -4.284   8.272
   39   2HH1  ARG   5          2HH1      ARG   5   3.866  -4.761   9.776
   40   1HH2  ARG   5          1HH2      ARG   5   1.284  -6.626   8.252
   41   2HH2  ARG   5          2HH2      ARG   5   1.967  -6.084   9.766
   42    H    ASN   6           H        ASN   6   3.171  -5.515   0.355
   43    HA   ASN   6           HA       ASN   6   4.847  -6.891  -1.051
   44   1HB   ASN   6          1HB       ASN   6   3.987  -9.346  -0.773
   45   2HB   ASN   6          2HB       ASN   6   5.135  -8.755   0.401
   46   1HD2  ASN   6          2HD2      ASN   6   4.225 -10.654   1.500
   47   2HD2  ASN   6          1HD2      ASN   6   2.834 -10.405   2.555
   48    H    THR   7           H        THR   7   3.808  -8.418  -2.472
   49    HA   THR   7           HA       THR   7   2.049  -6.809  -4.162
   50    HB   THR   7           HB       THR   7   3.128  -9.516  -4.417
   51    HG1  THR   7           HG1      THR   7   4.479  -8.424  -5.940
   52   1HG2  THR   7          1HG2      THR   7   2.438  -9.092  -6.861
   53   2HG2  THR   7          2HG2      THR   7   1.086  -9.325  -5.726
   54   3HG2  THR   7          3HG2      THR   7   1.534  -7.673  -6.235
   55    H    LEU   8           H        LEU   8   1.787  -9.395  -1.821
   56    HA   LEU   8           HA       LEU   8  -0.926 -10.185  -2.044
   57   1HB   LEU   8          1HB       LEU   8   1.342 -10.655  -0.429
   58   2HB   LEU   8          2HB       LEU   8   0.405  -9.763   0.647
   59    HG   LEU   8           HG       LEU   8  -0.567 -12.333  -0.618
   60   1HD1  LEU   8          1HD1      LEU   8   1.216 -12.574   1.115
   61   2HD1  LEU   8          2HD1      LEU   8   0.247 -11.607   2.245
   62   3HD1  LEU   8          3HD1      LEU   8  -0.348 -13.188   1.700
   63   1HD2  LEU   8          1HD2      LEU   8  -1.896 -10.419   1.371
   64   2HD2  LEU   8          2HD2      LEU   8  -2.484 -10.837  -0.248
   65   3HD2  LEU   8          3HD2      LEU   8  -2.477 -12.066   1.023
   66    H    ALA   9           H        ALA   9   0.851  -7.725  -0.425
   67    HA   ALA   9           HA       ALA   9  -1.495  -6.724   1.093
   68   1HB   ALA   9          1HB       ALA   9   0.500  -6.454   2.222
   69   2HB   ALA   9          2HB       ALA   9   1.274  -5.646   0.834
   70   3HB   ALA   9          3HB       ALA   9  -0.018  -4.817   1.723
   71    H    ARG  10           H        ARG  10   0.334  -5.614  -1.613
   72    HA   ARG  10           HA       ARG  10  -1.050  -3.457  -2.652
   73   1HB   ARG  10          1HB       ARG  10   1.143  -4.262  -3.275
   74   2HB   ARG  10          2HB       ARG  10   0.436  -5.821  -3.670
   75   1HG   ARG  10          1HG       ARG  10   1.138  -4.564  -5.677
   76   2HG   ARG  10          2HG       ARG  10  -0.556  -5.075  -5.666
   77   1HD   ARG  10          1HD       ARG  10  -0.258  -2.795  -6.369
   78   2HD   ARG  10          2HD       ARG  10  -1.279  -2.971  -4.897
   79    HE   ARG  10           HE       ARG  10   1.340  -2.393  -4.040
   80   1HH1  ARG  10          1HH1      ARG  10  -1.355  -0.696  -5.627
   81   2HH1  ARG  10          2HH1      ARG  10  -0.934   0.845  -4.911
   82   1HH2  ARG  10          1HH2      ARG  10   1.865  -0.398  -3.158
   83   2HH2  ARG  10          2HH2      ARG  10   0.915   1.024  -3.530
   84    H    ASN  11           H        ASN  11  -1.672  -6.897  -2.882
   85    HA   ASN  11           HA       ASN  11  -3.907  -6.590  -4.787
   86   1HB   ASN  11          1HB       ASN  11  -3.052  -8.998  -3.134
   87   2HB   ASN  11          2HB       ASN  11  -4.442  -8.983  -4.219
   88   1HD2  ASN  11          2HD2      ASN  11  -2.435 -10.837  -4.609
   89   2HD2  ASN  11          1HD2      ASN  11  -1.575 -10.444  -6.083
   90    H    CYS  12           H        CYS  12  -3.825  -7.345  -1.292
   91    HA   CYS  12           HA       CYS  12  -6.399  -6.866  -0.477
   92   1HB   CYS  12          1HB       CYS  12  -4.770  -7.755   1.019
   93   2HB   CYS  12          2HB       CYS  12  -3.711  -6.375   0.824
   94    H    TYR  13           H        TYR  13  -3.842  -4.532  -1.000
   95    HA   TYR  13           HA       TYR  13  -5.324  -2.222  -0.209
   96   1HB   TYR  13          1HB       TYR  13  -2.924  -2.248  -0.207
   97   2HB   TYR  13          2HB       TYR  13  -2.866  -2.528  -1.943
   98    HD1  TYR  13           HD1      TYR  13  -3.055  -0.004   0.677
   99    HD2  TYR  13           HD2      TYR  13  -3.351  -0.724  -3.569
  100    HE1  TYR  13           HE1      TYR  13  -2.692   2.410   0.250
  101    HE2  TYR  13           HE2      TYR  13  -2.981   1.692  -4.005
  102    HH   TYR  13           HH       TYR  13  -2.634   3.784  -3.073
  103    H    ASN  14           H        ASN  14  -4.789  -3.563  -3.444
  104    HA   ASN  14           HA       ASN  14  -6.299  -1.581  -4.898
  105   1HB   ASN  14          1HB       ASN  14  -5.492  -4.432  -5.616
  106   2HB   ASN  14          2HB       ASN  14  -6.186  -3.267  -6.750
  107   1HD2  ASN  14          2HD2      ASN  14  -3.564  -4.660  -6.892
  108   2HD2  ASN  14          1HD2      ASN  14  -2.372  -3.384  -6.989
  109    H    ALA  15           H        ALA  15  -6.969  -4.536  -3.226
  110    HA   ALA  15           HA       ALA  15  -9.749  -4.832  -4.035
  111   1HB   ALA  15          1HB       ALA  15  -9.850  -6.475  -2.213
  112   2HB   ALA  15          2HB       ALA  15  -8.419  -6.769  -3.240
  113   3HB   ALA  15          3HB       ALA  15  -8.246  -5.990  -1.650
  114    H    CYS  16           H        CYS  16  -8.080  -3.318  -1.115
  115    HA   CYS  16           HA       CYS  16 -10.596  -2.745   0.132
  116   1HB   CYS  16          1HB       CYS  16  -8.873  -2.700   1.622
  117   2HB   CYS  16          2HB       CYS  16  -7.699  -2.032   0.498
  118    H    ARG  17           H        ARG  17  -8.592  -1.319  -2.391
  119    HA   ARG  17           HA       ARG  17 -10.001   1.203  -2.525
  120   1HB   ARG  17          2HB       ARG  17  -7.567   0.766  -3.265
  121   2HB   ARG  17          1HB       ARG  17  -8.241  -0.075  -4.647
  122   1HG   ARG  17          1HG       ARG  17  -7.769   1.989  -5.514
  123   2HG   ARG  17          2HG       ARG  17  -9.483   2.184  -5.137
  124   1HD   ARG  17          1HD       ARG  17  -7.105   3.110  -3.453
  125   2HD   ARG  17          2HD       ARG  17  -8.087   4.158  -4.462
  126    HE   ARG  17           HE       ARG  17  -8.836   2.818  -1.914
  127   1HH1  ARG  17          1HH1      ARG  17  -9.867   5.113  -4.454
  128   2HH1  ARG  17          2HH1      ARG  17 -11.339   5.522  -3.610
  129   1HH2  ARG  17          1HH2      ARG  17 -10.741   3.379  -0.870
  130   2HH2  ARG  17          2HH2      ARG  17 -11.834   4.550  -1.575
  131    H    PHE  18           H        PHE  18 -10.427  -2.020  -3.948
  132    HA   PHE  18           HA       PHE  18 -12.549  -1.400  -5.758
  133   1HB   PHE  18          2HB       PHE  18 -11.216  -3.704  -5.181
  134   2HB   PHE  18          1HB       PHE  18 -12.471  -3.962  -4.113
  135    HD1  PHE  18           HD1      PHE  18 -11.582  -3.825  -7.654
  136    HD2  PHE  18           HD2      PHE  18 -14.878  -4.170  -4.873
  137    HE1  PHE  18           HE1      PHE  18 -13.047  -4.657  -9.483
  138    HE2  PHE  18           HE2      PHE  18 -16.336  -4.991  -6.708
  139    HZ   PHE  18           HZ       PHE  18 -15.427  -5.231  -9.017
  140    H    THR  19           H        THR  19 -12.429  -2.538  -2.345
  141    HA   THR  19           HA       THR  19 -15.216  -2.358  -1.893
  142    HB   THR  19           HB       THR  19 -14.650  -3.193   0.236
  143    HG1  THR  19           HG1      THR  19 -12.656  -3.063   1.138
  144   1HG2  THR  19          1HG2      THR  19 -13.406  -4.390  -2.083
  145   2HG2  THR  19          2HG2      THR  19 -12.340  -4.587  -0.682
  146   3HG2  THR  19          3HG2      THR  19 -14.011  -5.153  -0.640
  147    H    GLY  20           H        GLY  20 -15.724  -1.379   0.489
  148   1HA   GLY  20          1HA       GLY  20 -15.819   1.556   0.142
  149   2HA   GLY  20          2HA       GLY  20 -16.691   0.569   1.322
  150    H    GLY  21           H        GLY  21 -13.279   0.057   0.762
  151   1HA   GLY  21          1HA       GLY  21 -12.419   1.106   3.376
  152   2HA   GLY  21          2HA       GLY  21 -11.596  -0.065   2.340
  153    H    SER  22           H        SER  22 -11.815   3.187   3.116
  154    HA   SER  22           HA       SER  22 -11.046   4.640   0.903
  155   1HB   SER  22          2HB       SER  22 -10.535   5.115   3.753
  156   2HB   SER  22          1HB       SER  22 -10.542   6.326   2.480
  157    HG   SER  22           HG       SER  22 -12.506   6.303   3.636
  158    H    GLN  23           H        GLN  23  -9.070   5.739   1.167
  159    HA   GLN  23           HA       GLN  23  -6.900   3.978   0.297
  160   1HB   GLN  23          1HB       GLN  23  -6.923   7.013   0.472
  161   2HB   GLN  23          2HB       GLN  23  -5.549   6.049  -0.090
  162   1HG   GLN  23          1HG       GLN  23  -6.941   5.041  -1.841
  163   2HG   GLN  23          2HG       GLN  23  -8.353   5.958  -1.282
  164   1HE2  GLN  23          2HE2      GLN  23  -8.124   6.423  -3.765
  165   2HE2  GLN  23          1HE2      GLN  23  -7.240   7.883  -4.164
  166    HA   PRO  24           HA       PRO  24  -4.927   5.191   4.562
  167   1HB   PRO  24          1HB       PRO  24  -7.681   5.707   5.872
  168   2HB   PRO  24          2HB       PRO  24  -6.114   6.252   6.431
  169   1HG   PRO  24          1HG       PRO  24  -7.742   7.950   5.060
  170   2HG   PRO  24          2HG       PRO  24  -6.046   7.845   4.489
  171   1HD   PRO  24          1HD       PRO  24  -8.438   6.234   3.512
  172   2HD   PRO  24          2HD       PRO  24  -7.349   7.240   2.537
  173    H    THR  25           H        THR  25  -8.183   3.971   4.709
  174    HA   THR  25           HA       THR  25  -7.695   1.787   6.458
  175    HB   THR  25           HB       THR  25  -9.646   2.168   4.318
  176    HG1  THR  25           HG1      THR  25  -9.878   2.210   7.132
  177   1HG2  THR  25          1HG2      THR  25 -10.918   0.178   5.365
  178   2HG2  THR  25          2HG2      THR  25  -9.423  -0.293   4.564
  179   3HG2  THR  25          3HG2      THR  25  -9.446  -0.123   6.326
  180    H    CYS  26           H        CYS  26  -7.131   2.016   3.034
  181    HA   CYS  26           HA       CYS  26  -6.397  -0.781   2.735
  182   1HB   CYS  26          1HB       CYS  26  -5.508   1.505   0.904
  183   2HB   CYS  26          2HB       CYS  26  -5.593  -0.212   0.537
  184    H    GLY  27           H        GLY  27  -4.464   2.160   2.918
  185   1HA   GLY  27          1HA       GLY  27  -2.008   0.758   3.256
  186   2HA   GLY  27          2HA       GLY  27  -2.260   2.465   3.672
  187    H    ILE  28           H        ILE  28  -4.544   1.273   5.563
  188    HA   ILE  28           HA       ILE  28  -2.772   0.558   7.755
  189    HB   ILE  28           HB       ILE  28  -5.777   0.858   7.580
  190   1HG1  ILE  28          1HG1      ILE  28  -3.851   2.545   9.269
  191   2HG1  ILE  28          2HG1      ILE  28  -4.069   2.935   7.568
  192   1HG2  ILE  28          1HG2      ILE  28  -4.079   0.083   9.943
  193   2HG2  ILE  28          2HG2      ILE  28  -5.743   0.728  10.095
  194   3HG2  ILE  28          3HG2      ILE  28  -5.468  -0.776   9.242
  195   1HD1  ILE  28          1HD1      ILE  28  -6.516   3.138   7.897
  196   2HD1  ILE  28          2HD1      ILE  28  -6.294   2.849   9.636
  197   3HD1  ILE  28          3HD1      ILE  28  -5.575   4.282   8.876
  198    H    LEU  29           H        LEU  29  -5.513  -0.956   6.171
  199    HA   LEU  29           HA       LEU  29  -5.422  -3.185   7.991
  200   1HB   LEU  29          1HB       LEU  29  -6.870  -2.992   5.312
  201   2HB   LEU  29          2HB       LEU  29  -7.041  -4.345   6.427
  202    HG   LEU  29           HG       LEU  29  -7.724  -1.483   7.025
  203   1HD1  LEU  29          1HD2      LEU  29 -10.116  -2.316   6.909
  204   2HD1  LEU  29          2HD2      LEU  29  -9.269  -2.570   5.372
  205   3HD1  LEU  29          3HD2      LEU  29  -9.512  -3.923   6.491
  206   1HD2  LEU  29          1HD1      LEU  29  -7.179  -2.574   9.143
  207   2HD2  LEU  29          2HD1      LEU  29  -8.926  -2.432   9.038
  208   3HD2  LEU  29          3HD1      LEU  29  -8.154  -3.993   8.707
  209    H    CYS  30           H        CYS  30  -4.476  -2.514   4.766
  210    HA   CYS  30           HA       CYS  30  -3.088  -5.092   4.303
  211   1HB   CYS  30          1HB       CYS  30  -3.021  -2.649   2.512
  212   2HB   CYS  30          2HB       CYS  30  -2.673  -4.307   2.125
  213    H    ASP  31           H        ASP  31  -2.260  -2.260   6.028
  214    HA   ASP  31           HA       ASP  31  -0.293  -1.356   6.697
  215   1HB   ASP  31          1HB       ASP  31   0.773  -4.140   6.074
  216   2HB   ASP  31          2HB       ASP  31   1.590  -2.912   7.038
  217    HD2  ASP  31           HD2      ASP  31  -1.566  -4.941   8.595
  218    H    CYS  32           H        CYS  32  -0.920  -0.561   4.245
  219    HA   CYS  32           HA       CYS  32   1.734  -0.365   2.770
  220   1HB   CYS  32          1HB       CYS  32  -0.874   0.630   1.598
  221   2HB   CYS  32          2HB       CYS  32   0.656   0.438   0.838
  222    H    ILE  33           H        ILE  33   2.213   2.002   1.843
  223    HA   ILE  33           HA       ILE  33   1.668   3.968   4.028
  224    HB   ILE  33           HB       ILE  33   4.117   4.486   3.945
  225   1HG1  ILE  33          1HG1      ILE  33   4.408   1.822   2.496
  226   2HG1  ILE  33          2HG1      ILE  33   4.473   3.377   1.654
  227   1HG2  ILE  33          1HG2      ILE  33   3.118   3.116   5.734
  228   2HG2  ILE  33          2HG2      ILE  33   3.480   1.651   4.815
  229   3HG2  ILE  33          3HG2      ILE  33   4.794   2.679   5.418
  230   1HD1  ILE  33          1HD1      ILE  33   6.377   2.458   3.836
  231   2HD1  ILE  33          2HD1      ILE  33   6.703   2.553   2.094
  232   3HD1  ILE  33          3HD1      ILE  33   6.411   4.033   3.038
  233    H    HIS  34           H        HIS  34   3.211   5.990   3.107
  234    HA   HIS  34           HA       HIS  34   2.623   6.392   0.276
  235   1HB   HIS  34          1HB       HIS  34   0.785   7.517   1.547
  236   2HB   HIS  34          2HB       HIS  34   1.979   8.490   2.404
  237    HD1  HIS  34           HD1      HIS  34   0.020   8.316  -0.749
  238    HD2  HIS  34           HD2      HIS  34   3.512  10.250   0.625
  239    HE1  HIS  34           HE1      HIS  34   0.542  10.208  -2.384
  240    HE2  HIS  34           HE2      HIS  34   2.672  11.378  -1.570
  241    H    VAL  35           H        VAL  35   4.513   6.676  -0.634
  242    HA   VAL  35           HA       VAL  35   6.692   8.081   0.865
  243    HB   VAL  35           HB       VAL  35   8.284   7.086  -0.445
  244   1HG1  VAL  35          1HG1      VAL  35   6.646   4.913   0.767
  245   2HG1  VAL  35          2HG1      VAL  35   8.392   4.912   0.448
  246   3HG1  VAL  35          3HG1      VAL  35   7.749   6.047   1.635
  247   1HG2  VAL  35          1HG2      VAL  35   7.393   6.547  -2.538
  248   2HG2  VAL  35          2HG2      VAL  35   7.840   4.998  -1.785
  249   3HG2  VAL  35          3HG2      VAL  35   6.149   5.482  -1.821
  250    H    THR  36           H        THR  36   7.584   9.680   0.062
  251    HA   THR  36           HA       THR  36   7.568  10.197  -2.842
  252    HB   THR  36           HB       THR  36   8.120  12.557  -2.455
  253    HG1  THR  36           HG1      THR  36   8.814  12.371  -0.287
  254   1HG2  THR  36          1HG2      THR  36   5.836  13.291  -2.000
  255   2HG2  THR  36          2HG2      THR  36   5.812  11.802  -2.981
  256   3HG2  THR  36          3HG2      THR  36   5.446  11.724  -1.243
  257    H    THR  37           H        THR  37   8.832   8.162  -1.858
  258    HA   THR  37           HA       THR  37  11.408   8.432  -0.903
  259    HB   THR  37           HB       THR  37  11.663   6.182  -2.033
  260    HG1  THR  37           HG1      THR  37   9.784   5.187  -2.374
  261   1HG2  THR  37          1HG2      THR  37  10.593   5.093  -0.150
  262   2HG2  THR  37          2HG2      THR  37  11.798   6.324   0.230
  263   3HG2  THR  37          3HG2      THR  37  10.105   6.704   0.458
  264    H    THR  38           H        THR  38  12.875   7.440  -2.523
  265    HA   THR  38           HA       THR  38  13.362   8.354  -5.245
  266    HB   THR  38           HB       THR  38  14.569   6.163  -5.316
  267    HG1  THR  38           HG1      THR  38  13.966   6.018  -2.569
  268   1HG2  THR  38          1HG2      THR  38  15.379   7.969  -3.007
  269   2HG2  THR  38          2HG2      THR  38  16.437   6.849  -3.884
  270   3HG2  THR  38          3HG2      THR  38  15.756   8.252  -4.721
  271    H    THR  39           H        THR  39  11.999   5.199  -3.913
  272    HA   THR  39           HA       THR  39   9.748   4.904  -5.536
  273    HB   THR  39           HB       THR  39  11.843   2.959  -5.806
  274    HG1  THR  39           HG1      THR  39  13.093   4.696  -6.456
  275   1HG2  THR  39          1HG2      THR  39  10.914   2.630  -8.089
  276   2HG2  THR  39          2HG2      THR  39   9.637   2.608  -6.858
  277   3HG2  THR  39          3HG2      THR  39   9.896   4.076  -7.834
  278    H    CYS  40           H        CYS  40   9.102   2.661  -5.072
  279    HA   CYS  40           HA       CYS  40   8.527   2.459  -2.483
  280   1HB   CYS  40          1HB       CYS  40   8.473   0.221  -4.539
  281   2HB   CYS  40          2HB       CYS  40   7.856  -0.003  -2.912
  282    HA   PRO  41           HA       PRO  41  12.308   1.340  -0.579
  283   1HB   PRO  41          1HB       PRO  41  11.603   1.549   2.030
  284   2HB   PRO  41          2HB       PRO  41  11.562   2.943   0.920
  285   1HG   PRO  41          1HG       PRO  41   9.234   1.146   1.676
  286   2HG   PRO  41          2HG       PRO  41   9.307   2.927   1.754
  287   1HD   PRO  41          1HD       PRO  41   8.236   1.720  -0.411
  288   2HD   PRO  41          2HD       PRO  41   9.285   3.157  -0.580
  289    H    SER  42           H        SER  42  13.233  -0.021   1.048
  290    HA   SER  42           HA       SER  42  12.874  -2.812   0.844
  291   1HB   SER  42          1HB       SER  42  14.881  -1.509   1.593
  292   2HB   SER  42          2HB       SER  42  14.019  -1.133   3.108
  293    HG   SER  42           HG       SER  42  14.685  -3.727   2.129
  294    H    SER  43           H        SER  43  11.422  -0.312   3.012
  295    HA   SER  43           HA       SER  43  10.491  -2.073   5.054
  296   1HB   SER  43          2HB       SER  43   9.797   0.662   4.222
  297   2HB   SER  43          1HB       SER  43   9.219  -0.098   5.701
  298    HG   SER  43           HG       SER  43  11.930   0.389   5.026
  299    H    HIS  44           H        HIS  44   9.446  -1.059   1.945
  300    HA   HIS  44           HA       HIS  44   6.890  -2.612   2.107
  301   1HB   HIS  44          1HB       HIS  44   6.989   0.366   1.635
  302   2HB   HIS  44          2HB       HIS  44   5.639  -0.658   1.166
  303    HD1  HIS  44           HD1      HIS  44   7.473   0.411   4.353
  304    HD2  HIS  44           HD2      HIS  44   3.919  -1.418   3.066
  305    HE1  HIS  44           HE1      HIS  44   5.989   0.127   6.411
  306    HE2  HIS  44           HE2      HIS  44   3.818  -1.003   5.649
  307    HA   PRO  45           HA       PRO  45   9.495  -2.735  -1.765
  308   1HB   PRO  45          1HB       PRO  45   9.209  -5.414  -2.466
  309   2HB   PRO  45          2HB       PRO  45  10.378  -4.766  -1.291
  310   1HG   PRO  45          1HG       PRO  45   7.634  -5.913  -0.703
  311   2HG   PRO  45          2HG       PRO  45   9.189  -6.343   0.072
  312   1HD   PRO  45          1HD       PRO  45   7.591  -4.602   1.281
  313   2HD   PRO  45          2HD       PRO  45   9.315  -4.209   1.176
  314    H    SER  46           H        SER  46   6.006  -3.778  -1.648
  315    HA   SER  46           HA       SER  46   5.961  -4.065  -4.568
  316   1HB   SER  46          1HB       SER  46   4.737  -5.706  -3.334
  317   2HB   SER  46          2HB       SER  46   3.914  -4.519  -2.370
  318    HG   SER  46           HG       SER  46   2.976  -3.794  -4.401
  319    HXT  SER  46           HO        OH  47   3.443  -1.049  -3.800
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1   2.361   8.690  -3.902
    2   2H    LYS   1          2H        LYS   1   3.897   8.902  -3.337
    3   3H    LYS   1          3H        LYS   1   3.623   8.743  -4.956
    4    HA   LYS   1           HA       LYS   1   2.865   6.550  -4.693
    5   1HB   LYS   1          1HB       LYS   1   5.217   6.914  -5.224
    6   2HB   LYS   1          2HB       LYS   1   5.587   7.133  -3.531
    7   1HG   LYS   1          1HG       LYS   1   6.368   4.969  -4.045
    8   2HG   LYS   1          2HG       LYS   1   4.896   4.704  -3.133
    9   1HD   LYS   1          1HD       LYS   1   4.734   3.160  -4.869
   10   2HD   LYS   1          2HD       LYS   1   3.698   4.480  -5.403
   11   1HE   LYS   1          1HE       LYS   1   5.044   3.754  -7.296
   12   2HE   LYS   1          2HE       LYS   1   5.675   5.334  -6.806
   13   1HZ   LYS   1          1HZ       LYS   1   7.408   4.164  -5.634
   14   2HZ   LYS   1          2HZ       LYS   1   6.793   2.712  -6.109
   15   3HZ   LYS   1          3HZ       LYS   1   7.397   3.764  -7.227
   16    H    SER   2           H        SER   2   2.426   4.765  -3.450
   17    HA   SER   2           HA       SER   2   2.365   4.792  -0.501
   18   1HB   SER   2          1HB       SER   2  -0.159   4.694  -2.236
   19   2HB   SER   2          2HB       SER   2  -0.095   4.188  -0.544
   20    HG   SER   2           HG       SER   2   0.552   6.774  -1.511
   21    H    CYS   3           H        CYS   3   3.661   3.080  -0.314
   22    HA   CYS   3           HA       CYS   3   3.475   1.061  -2.427
   23   1HB   CYS   3          1HB       CYS   3   5.557   2.310  -2.201
   24   2HB   CYS   3          2HB       CYS   3   5.839   1.489  -0.651
   25    H    CYS   4           H        CYS   4   3.504  -1.322  -1.771
   26    HA   CYS   4           HA       CYS   4   2.399  -1.813   0.918
   27   1HB   CYS   4          1HB       CYS   4   2.169  -3.144  -1.784
   28   2HB   CYS   4          2HB       CYS   4   1.510  -3.802  -0.333
   29    H    ARG   5           H        ARG   5   3.021  -3.410   2.155
   30    HA   ARG   5           HA       ARG   5   5.699  -4.104   1.747
   31   1HB   ARG   5          1HB       ARG   5   5.775  -5.159   3.863
   32   2HB   ARG   5          2HB       ARG   5   5.119  -3.521   3.879
   33   1HG   ARG   5          1HG       ARG   5   2.773  -4.567   3.985
   34   2HG   ARG   5          2HG       ARG   5   3.587  -6.138   4.210
   35   1HD   ARG   5          1HD       ARG   5   4.956  -5.038   6.059
   36   2HD   ARG   5          2HD       ARG   5   3.935  -3.599   5.879
   37    HE   ARG   5           HE       ARG   5   2.226  -5.820   6.242
   38   1HH1  ARG   5          1HH1      ARG   5   4.574  -3.982   8.191
   39   2HH1  ARG   5          2HH1      ARG   5   3.797  -4.390   9.702
   40   1HH2  ARG   5          1HH2      ARG   5   1.253  -6.334   8.235
   41   2HH2  ARG   5          2HH2      ARG   5   1.921  -5.717   9.732
   42    H    ASN   6           H        ASN   6   3.154  -5.552   0.362
   43    HA   ASN   6           HA       ASN   6   4.795  -7.031  -0.956
   44   1HB   ASN   6          1HB       ASN   6   3.642  -9.446  -0.494
   45   2HB   ASN   6          2HB       ASN   6   5.106  -8.941   0.318
   46   1HD2  ASN   6          2HD2      ASN   6   1.783  -7.800   1.081
   47   2HD2  ASN   6          1HD2      ASN   6   1.750  -8.494   2.692
   48    H    THR   7           H        THR   7   3.893  -8.381  -2.532
   49    HA   THR   7           HA       THR   7   2.005  -6.933  -4.119
   50    HB   THR   7           HB       THR   7   3.149  -9.622  -4.347
   51    HG1  THR   7           HG1      THR   7   3.759  -7.129  -5.549
   52   1HG2  THR   7          1HG2      THR   7   2.433  -9.264  -6.771
   53   2HG2  THR   7          2HG2      THR   7   1.110  -9.548  -5.612
   54   3HG2  THR   7          3HG2      THR   7   1.458  -7.882  -6.161
   55    H    LEU   8           H        LEU   8   1.667  -9.377  -1.661
   56    HA   LEU   8           HA       LEU   8  -0.997 -10.274  -1.933
   57   1HB   LEU   8          2HB       LEU   8   1.305 -10.804  -0.508
   58   2HB   LEU   8          1HB       LEU   8   0.558  -9.785   0.503
   59    HG   LEU   8           HG       LEU   8  -0.681 -12.404  -0.418
   60   1HD1  LEU   8          1HD2      LEU   8  -0.317 -13.121   1.927
   61   2HD1  LEU   8          2HD2      LEU   8   1.214 -12.650   1.165
   62   3HD1  LEU   8          3HD2      LEU   8   0.422 -11.548   2.301
   63   1HD2  LEU   8          1HD1      LEU   8  -2.507 -10.825   0.007
   64   2HD2  LEU   8          2HD1      LEU   8  -2.425 -11.974   1.341
   65   3HD2  LEU   8          3HD1      LEU   8  -1.782 -10.333   1.552
   66    H    ALA   9           H        ALA   9   0.791  -7.802  -0.368
   67    HA   ALA   9           HA       ALA   9  -1.528  -6.739   1.166
   68   1HB   ALA   9          1HB       ALA   9   1.220  -5.617   0.830
   69   2HB   ALA   9          2HB       ALA   9  -0.078  -4.777   1.683
   70   3HB   ALA   9          3HB       ALA   9   0.477  -6.378   2.258
   71    H    ARG  10           H        ARG  10   0.292  -5.663  -1.562
   72    HA   ARG  10           HA       ARG  10  -1.112  -3.569  -2.679
   73   1HB   ARG  10          1HB       ARG  10   1.097  -4.381  -3.270
   74   2HB   ARG  10          2HB       ARG  10   0.382  -5.947  -3.636
   75   1HG   ARG  10          1HG       ARG  10   1.096  -4.728  -5.672
   76   2HG   ARG  10          2HG       ARG  10  -0.607  -5.212  -5.650
   77   1HD   ARG  10          1HD       ARG  10  -0.306  -2.964  -6.393
   78   2HD   ARG  10          2HD       ARG  10  -1.268  -3.060  -4.882
   79    HE   ARG  10           HE       ARG  10   1.392  -2.567  -4.133
   80   1HH1  ARG  10          1HH1      ARG  10  -1.241  -0.762  -5.708
   81   2HH1  ARG  10          2HH1      ARG  10  -0.676   0.770  -5.093
   82   1HH2  ARG  10          1HH2      ARG  10   2.138  -0.589  -3.442
   83   2HH2  ARG  10          2HH2      ARG  10   1.240   0.875  -3.785
   84    H    ASN  11           H        ASN  11  -1.702  -7.005  -2.845
   85    HA   ASN  11           HA       ASN  11  -3.943  -6.767  -4.742
   86   1HB   ASN  11          1HB       ASN  11  -3.049  -9.107  -3.033
   87   2HB   ASN  11          2HB       ASN  11  -4.469  -9.154  -4.079
   88   1HD2  ASN  11          2HD2      ASN  11  -2.439 -10.991  -4.467
   89   2HD2  ASN  11          1HD2      ASN  11  -1.623 -10.630  -5.972
   90    H    CYS  12           H        CYS  12  -3.852  -7.447  -1.227
   91    HA   CYS  12           HA       CYS  12  -6.439  -6.978  -0.444
   92   1HB   CYS  12          1HB       CYS  12  -4.828  -7.815   1.087
   93   2HB   CYS  12          2HB       CYS  12  -3.769  -6.441   0.868
   94    H    TYR  13           H        TYR  13  -3.909  -4.635  -1.030
   95    HA   TYR  13           HA       TYR  13  -5.405  -2.329  -0.253
   96   1HB   TYR  13          1HB       TYR  13  -3.016  -2.320  -0.206
   97   2HB   TYR  13          2HB       TYR  13  -2.912  -2.698  -1.917
   98    HD1  TYR  13           HD1      TYR  13  -3.198  -0.017   0.541
   99    HD2  TYR  13           HD2      TYR  13  -3.264  -1.001  -3.660
  100    HE1  TYR  13           HE1      TYR  13  -2.757   2.360  -0.019
  101    HE2  TYR  13           HE2      TYR  13  -2.848   1.371  -4.227
  102    HH   TYR  13           HH       TYR  13  -2.498   3.512  -3.411
  103    H    ASN  14           H        ASN  14  -4.846  -3.712  -3.464
  104    HA   ASN  14           HA       ASN  14  -6.353  -1.758  -4.961
  105   1HB   ASN  14          1HB       ASN  14  -5.494  -4.606  -5.614
  106   2HB   ASN  14          2HB       ASN  14  -6.232  -3.494  -6.772
  107   1HD2  ASN  14          2HD2      ASN  14  -3.562  -4.801  -6.891
  108   2HD2  ASN  14          1HD2      ASN  14  -2.410  -3.490  -7.028
  109    H    ALA  15           H        ALA  15  -7.009  -4.683  -3.232
  110    HA   ALA  15           HA       ALA  15  -9.751  -5.039  -4.095
  111   1HB   ALA  15          1HB       ALA  15  -8.416  -6.950  -3.266
  112   2HB   ALA  15          2HB       ALA  15  -8.277  -6.160  -1.677
  113   3HB   ALA  15          3HB       ALA  15  -9.864  -6.679  -2.262
  114    H    CYS  16           H        CYS  16  -8.169  -3.455  -1.170
  115    HA   CYS  16           HA       CYS  16 -10.724  -2.888   0.038
  116   1HB   CYS  16          1HB       CYS  16  -9.038  -2.809   1.581
  117   2HB   CYS  16          2HB       CYS  16  -7.842  -2.159   0.467
  118    H    ARG  17           H        ARG  17  -8.678  -1.508  -2.460
  119    HA   ARG  17           HA       ARG  17 -10.059   1.024  -2.609
  120   1HB   ARG  17          2HB       ARG  17  -7.642   0.661  -3.305
  121   2HB   ARG  17          1HB       ARG  17  -8.245  -0.285  -4.652
  122   1HG   ARG  17          1HG       ARG  17  -7.779   1.741  -5.628
  123   2HG   ARG  17          2HG       ARG  17  -9.515   1.881  -5.363
  124   1HD   ARG  17          1HD       ARG  17  -7.263   3.059  -3.665
  125   2HD   ARG  17          2HD       ARG  17  -8.321   3.965  -4.748
  126    HE   ARG  17           HE       ARG  17  -8.931   2.781  -2.116
  127   1HH1  ARG  17          1HH1      ARG  17 -10.325   4.442  -4.948
  128   2HH1  ARG  17          2HH1      ARG  17 -11.856   4.726  -4.151
  129   1HH2  ARG  17          1HH2      ARG  17 -10.946   3.166  -1.131
  130   2HH2  ARG  17          2HH2      ARG  17 -12.201   4.020  -1.998
  131    H    PHE  18           H        PHE  18 -10.437  -2.170  -4.100
  132    HA   PHE  18           HA       PHE  18 -12.623  -1.561  -5.836
  133   1HB   PHE  18          1HB       PHE  18 -11.277  -3.816  -5.459
  134   2HB   PHE  18          2HB       PHE  18 -12.428  -4.144  -4.233
  135    HD1  PHE  18           HD1      PHE  18 -11.976  -3.888  -7.856
  136    HD2  PHE  18           HD2      PHE  18 -14.848  -4.433  -4.673
  137    HE1  PHE  18           HE1      PHE  18 -13.648  -4.725  -9.501
  138    HE2  PHE  18           HE2      PHE  18 -16.513  -5.277  -6.320
  139    HZ   PHE  18           HZ       PHE  18 -15.906  -5.434  -8.733
  140    H    THR  19           H        THR  19 -12.495  -2.792  -2.414
  141    HA   THR  19           HA       THR  19 -15.235  -2.459  -1.908
  142    HB   THR  19           HB       THR  19 -14.773  -3.091   0.226
  143    HG1  THR  19           HG1      THR  19 -12.843  -2.905   1.282
  144   1HG2  THR  19          1HG2      THR  19 -12.382  -4.539  -0.531
  145   2HG2  THR  19          2HG2      THR  19 -13.989  -5.127  -0.152
  146   3HG2  THR  19          3HG2      THR  19 -13.633  -4.607  -1.793
  147    H    GLY  20           H        GLY  20 -15.855  -1.262   0.268
  148   1HA   GLY  20          1HA       GLY  20 -15.798   1.645  -0.291
  149   2HA   GLY  20          2HA       GLY  20 -16.819   0.776   0.860
  150    H    GLY  21           H        GLY  21 -13.402   0.138   0.640
  151   1HA   GLY  21          1HA       GLY  21 -12.695   1.382   3.223
  152   2HA   GLY  21          2HA       GLY  21 -11.833   0.087   2.374
  153    H    SER  22           H        SER  22 -11.910   3.374   2.822
  154    HA   SER  22           HA       SER  22 -11.140   4.621   0.503
  155   1HB   SER  22          2HB       SER  22 -10.569   5.289   3.307
  156   2HB   SER  22          1HB       SER  22 -10.550   6.408   1.943
  157    HG   SER  22           HG       SER  22 -12.774   5.986   1.663
  158    H    GLN  23           H        GLN  23  -9.121   5.678   0.642
  159    HA   GLN  23           HA       GLN  23  -7.040   3.788  -0.139
  160   1HB   GLN  23          1HB       GLN  23  -7.369   5.763  -1.468
  161   2HB   GLN  23          2HB       GLN  23  -6.815   6.825  -0.191
  162   1HG   GLN  23          1HG       GLN  23  -5.160   4.595  -1.460
  163   2HG   GLN  23          2HG       GLN  23  -5.122   6.278  -1.988
  164   1HE2  GLN  23          2HE2      GLN  23  -2.912   4.572  -0.893
  165   2HE2  GLN  23          1HE2      GLN  23  -2.283   5.481   0.462
  166    HA   PRO  24           HA       PRO  24  -4.956   5.277   4.004
  167   1HB   PRO  24          1HB       PRO  24  -7.683   5.962   5.296
  168   2HB   PRO  24          2HB       PRO  24  -6.098   6.507   5.799
  169   1HG   PRO  24          1HG       PRO  24  -7.672   8.136   4.311
  170   2HG   PRO  24          2HG       PRO  24  -5.986   7.924   3.730
  171   1HD   PRO  24          1HD       PRO  24  -8.450   6.326   2.924
  172   2HD   PRO  24          2HD       PRO  24  -7.357   7.209   1.845
  173    H    THR  25           H        THR  25  -8.228   4.136   4.286
  174    HA   THR  25           HA       THR  25  -7.742   2.062   6.191
  175    HB   THR  25           HB       THR  25  -9.734   2.335   4.066
  176    HG1  THR  25           HG1      THR  25  -9.924   2.480   6.873
  177   1HG2  THR  25          1HG2      THR  25 -10.977   0.386   5.245
  178   2HG2  THR  25          2HG2      THR  25  -9.513  -0.111   4.400
  179   3HG2  THR  25          3HG2      THR  25  -9.472   0.126   6.151
  180    H    CYS  26           H        CYS  26  -7.263   2.049   2.744
  181    HA   CYS  26           HA       CYS  26  -6.563  -0.773   2.611
  182   1HB   CYS  26          1HB       CYS  26  -5.709   1.414   0.641
  183   2HB   CYS  26          2HB       CYS  26  -5.792  -0.312   0.355
  184    H    GLY  27           H        GLY  27  -4.585   2.138   2.574
  185   1HA   GLY  27          1HA       GLY  27  -2.144   0.784   2.981
  186   2HA   GLY  27          2HA       GLY  27  -2.439   2.503   3.336
  187    H    ILE  28           H        ILE  28  -4.659   1.441   5.302
  188    HA   ILE  28           HA       ILE  28  -2.864   0.817   7.511
  189    HB   ILE  28           HB       ILE  28  -5.881   1.097   7.349
  190   1HG1  ILE  28          1HG1      ILE  28  -3.925   2.855   8.937
  191   2HG1  ILE  28          2HG1      ILE  28  -4.155   3.182   7.231
  192   1HG2  ILE  28          1HG2      ILE  28  -5.811   1.081   9.862
  193   2HG2  ILE  28          2HG2      ILE  28  -5.527  -0.463   9.082
  194   3HG2  ILE  28          3HG2      ILE  28  -4.139   0.449   9.716
  195   1HD1  ILE  28          1HD1      ILE  28  -6.383   3.156   9.306
  196   2HD1  ILE  28          2HD1      ILE  28  -5.649   4.583   8.537
  197   3HD1  ILE  28          3HD1      ILE  28  -6.580   3.437   7.559
  198    H    LEU  29           H        LEU  29  -5.622  -0.773   6.035
  199    HA   LEU  29           HA       LEU  29  -5.503  -2.926   7.930
  200   1HB   LEU  29          1HB       LEU  29  -6.956  -2.850   5.247
  201   2HB   LEU  29          2HB       LEU  29  -7.130  -4.151   6.433
  202    HG   LEU  29           HG       LEU  29  -7.782  -1.257   6.919
  203   1HD1  LEU  29          1HD1      LEU  29  -9.324  -2.349   5.270
  204   2HD1  LEU  29          2HD1      LEU  29  -9.616  -3.670   6.415
  205   3HD1  LEU  29          3HD1      LEU  29 -10.186  -2.032   6.788
  206   1HD2  LEU  29          1HD2      LEU  29  -7.274  -2.311   9.064
  207   2HD2  LEU  29          2HD2      LEU  29  -9.016  -2.114   8.950
  208   3HD2  LEU  29          3HD2      LEU  29  -8.294  -3.711   8.667
  209    H    CYS  30           H        CYS  30  -4.549  -2.381   4.687
  210    HA   CYS  30           HA       CYS  30  -3.163  -4.987   4.346
  211   1HB   CYS  30          1HB       CYS  30  -3.124  -2.657   2.410
  212   2HB   CYS  30          2HB       CYS  30  -2.782  -4.335   2.119
  213    H    ASP  31           H        ASP  31  -2.313  -2.080   5.925
  214    HA   ASP  31           HA       ASP  31  -0.334  -1.163   6.526
  215   1HB   ASP  31          1HB       ASP  31   0.712  -3.976   6.033
  216   2HB   ASP  31          2HB       ASP  31   1.544  -2.704   6.928
  217    HD2  ASP  31           HD2      ASP  31  -1.325  -4.677   6.878
  218    H    CYS  32           H        CYS  32  -0.980  -0.450   4.072
  219    HA   CYS  32           HA       CYS  32   1.677  -0.284   2.578
  220   1HB   CYS  32          1HB       CYS  32  -0.942   0.617   1.365
  221   2HB   CYS  32          2HB       CYS  32   0.609   0.448   0.632
  222    H    ILE  33           H        ILE  33   2.628   1.795   2.220
  223    HA   ILE  33           HA       ILE  33   1.870   3.689   4.419
  224    HB   ILE  33           HB       ILE  33   4.309   4.258   4.370
  225   1HG1  ILE  33          1HG1      ILE  33   4.640   1.776   2.647
  226   2HG1  ILE  33          2HG1      ILE  33   4.661   3.409   1.979
  227   1HG2  ILE  33          1HG2      ILE  33   3.337   2.782   6.033
  228   2HG2  ILE  33          2HG2      ILE  33   3.557   1.393   4.972
  229   3HG2  ILE  33          3HG2      ILE  33   4.968   2.264   5.619
  230   1HD1  ILE  33          1HD1      ILE  33   6.919   2.560   2.370
  231   2HD1  ILE  33          2HD1      ILE  33   6.593   3.991   3.369
  232   3HD1  ILE  33          3HD1      ILE  33   6.594   2.378   4.104
  233    H    HIS  34           H        HIS  34   3.573   5.760   3.533
  234    HA   HIS  34           HA       HIS  34   2.917   6.308   0.784
  235   1HB   HIS  34          1HB       HIS  34   1.068   7.480   2.017
  236   2HB   HIS  34          2HB       HIS  34   2.269   8.392   2.929
  237    HD1  HIS  34           HD1      HIS  34   0.394   8.338  -0.276
  238    HD2  HIS  34           HD2      HIS  34   3.892  10.153   1.238
  239    HE1  HIS  34           HE1      HIS  34   1.030  10.211  -1.890
  240    HE2  HIS  34           HE2      HIS  34   3.155  11.328  -0.980
  241    H    VAL  35           H        VAL  35   4.675   6.674  -0.217
  242    HA   VAL  35           HA       VAL  35   6.905   8.028   1.227
  243    HB   VAL  35           HB       VAL  35   8.383   7.215  -0.330
  244   1HG1  VAL  35          1HG1      VAL  35   8.116   6.079   1.756
  245   2HG1  VAL  35          2HG1      VAL  35   7.109   4.845   0.894
  246   3HG1  VAL  35          3HG1      VAL  35   8.816   5.114   0.457
  247   1HG2  VAL  35          1HG2      VAL  35   8.012   5.166  -1.714
  248   2HG2  VAL  35          2HG2      VAL  35   6.271   5.431  -1.492
  249   3HG2  VAL  35          3HG2      VAL  35   7.293   6.651  -2.330
  250    H    THR  36           H        THR  36   7.723   9.672   0.415
  251    HA   THR  36           HA       THR  36   7.318  10.443  -2.403
  252    HB   THR  36           HB       THR  36   7.931  12.772  -1.884
  253    HG1  THR  36           HG1      THR  36   8.942  12.360   0.136
  254   1HG2  THR  36          1HG2      THR  36   5.542  12.049  -2.093
  255   2HG2  THR  36          2HG2      THR  36   5.468  11.837  -0.337
  256   3HG2  THR  36          3HG2      THR  36   5.744  13.451  -1.021
  257    H    THR  37           H        THR  37   8.653   8.354  -1.720
  258    HA   THR  37           HA       THR  37  11.410   8.748  -1.224
  259    HB   THR  37           HB       THR  37  10.182   6.301  -2.000
  260    HG1  THR  37           HG1      THR  37  11.203   7.370   0.463
  261   1HG2  THR  37          1HG2      THR  37  12.252   5.302  -0.864
  262   2HG2  THR  37          2HG2      THR  37  12.517   5.914  -2.475
  263   3HG2  THR  37          3HG2      THR  37  13.007   6.889  -1.069
  264    H    THR  38           H        THR  38  12.526   7.652  -3.009
  265    HA   THR  38           HA       THR  38  12.422   8.719  -5.750
  266    HB   THR  38           HB       THR  38  13.937   6.388  -4.802
  267    HG1  THR  38           HG1      THR  38  15.666   7.885  -4.695
  268   1HG2  THR  38          1HG2      THR  38  14.315   8.135  -7.279
  269   2HG2  THR  38          2HG2      THR  38  15.386   6.807  -6.781
  270   3HG2  THR  38          3HG2      THR  38  13.729   6.460  -7.289
  271    H    THR  39           H        THR  39  11.735   5.482  -4.231
  272    HA   THR  39           HA       THR  39   9.512   4.756  -5.877
  273    HB   THR  39           HB       THR  39  11.777   2.955  -5.606
  274    HG1  THR  39           HG1      THR  39  12.702   3.586  -7.603
  275   1HG2  THR  39          1HG2      THR  39   9.743   3.402  -7.799
  276   2HG2  THR  39          2HG2      THR  39  11.013   2.146  -7.851
  277   3HG2  THR  39          3HG2      THR  39   9.760   2.070  -6.613
  278    H    CYS  40           H        CYS  40   8.995   2.619  -5.035
  279    HA   CYS  40           HA       CYS  40   8.314   2.296  -2.413
  280   1HB   CYS  40          1HB       CYS  40   9.123   0.335  -4.625
  281   2HB   CYS  40          2HB       CYS  40   8.647  -0.296  -3.064
  282    HA   PRO  41           HA       PRO  41  12.393   1.680  -0.421
  283   1HB   PRO  41          1HB       PRO  41  11.597   1.670   2.137
  284   2HB   PRO  41          2HB       PRO  41  11.456   3.134   1.135
  285   1HG   PRO  41          1HG       PRO  41   9.290   1.084   1.687
  286   2HG   PRO  41          2HG       PRO  41   9.207   2.852   1.910
  287   1HD   PRO  41          1HD       PRO  41   8.285   1.643  -0.359
  288   2HD   PRO  41          2HD       PRO  41   9.102   3.213  -0.445
  289    H    SER  42           H        SER  42  13.282   0.249   1.175
  290    HA   SER  42           HA       SER  42  13.028  -2.552   0.623
  291   1HB   SER  42          1HB       SER  42  14.256  -1.009   2.941
  292   2HB   SER  42          2HB       SER  42  14.491  -2.745   2.636
  293    HG   SER  42           HG       SER  42  15.420  -2.178   0.612
  294    H    SER  43           H        SER  43  11.499  -0.317   3.003
  295    HA   SER  43           HA       SER  43  10.692  -2.354   4.862
  296   1HB   SER  43          1HB       SER  43   9.481  -0.482   5.844
  297   2HB   SER  43          2HB       SER  43  11.117   0.038   5.434
  298    HG   SER  43           HG       SER  43   9.530   1.557   4.813
  299    H    HIS  44           H        HIS  44   9.536  -1.061   1.911
  300    HA   HIS  44           HA       HIS  44   6.983  -2.643   1.983
  301   1HB   HIS  44          1HB       HIS  44   7.100   0.357   1.661
  302   2HB   HIS  44          2HB       HIS  44   5.756  -0.653   1.144
  303    HD1  HIS  44           HD1      HIS  44   7.659   0.172   4.385
  304    HD2  HIS  44           HD2      HIS  44   4.001  -1.385   3.011
  305    HE1  HIS  44           HE1      HIS  44   6.187  -0.209   6.434
  306    HE2  HIS  44           HE2      HIS  44   3.952  -1.164   5.622
  307    HA   PRO  45           HA       PRO  45   9.410  -2.597  -1.997
  308   1HB   PRO  45          1HB       PRO  45   9.225  -5.251  -2.738
  309   2HB   PRO  45          2HB       PRO  45  10.365  -4.608  -1.526
  310   1HG   PRO  45          1HG       PRO  45   7.645  -5.835  -1.003
  311   2HG   PRO  45          2HG       PRO  45   9.212  -6.278  -0.257
  312   1HD   PRO  45          1HD       PRO  45   7.587  -4.614   1.035
  313   2HD   PRO  45          2HD       PRO  45   9.310  -4.210   0.952
  314    H    SER  46           H        SER  46   5.955  -3.767  -1.756
  315    HA   SER  46           HA       SER  46   5.853  -4.236  -4.634
  316   1HB   SER  46          1HB       SER  46   4.768  -5.864  -3.303
  317   2HB   SER  46          2HB       SER  46   3.900  -4.689  -2.349
  318    HG   SER  46           HG       SER  46   3.691  -5.217  -5.144
  319    HXT  SER  46           HO        OH  47   4.721  -1.110  -5.561
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1   1.663   8.503  -4.450
    2   2H    LYS   1          2H        LYS   1   2.927   9.206  -3.662
    3   3H    LYS   1          3H        LYS   1   2.929   9.119  -5.310
    4    HA   LYS   1           HA       LYS   1   3.024   6.788  -5.258
    5   1HB   LYS   1          1HB       LYS   1   5.139   8.543  -4.714
    6   2HB   LYS   1          2HB       LYS   1   5.328   7.298  -3.489
    7   1HG   LYS   1          1HG       LYS   1   5.185   6.839  -6.492
    8   2HG   LYS   1          2HG       LYS   1   6.637   6.862  -5.482
    9   1HD   LYS   1          1HD       LYS   1   5.624   4.919  -4.158
   10   2HD   LYS   1          2HD       LYS   1   4.370   4.819  -5.393
   11   1HE   LYS   1          1HE       LYS   1   6.008   3.244  -6.100
   12   2HE   LYS   1          2HE       LYS   1   6.274   4.636  -7.139
   13   1HZ   LYS   1          1HZ       LYS   1   8.297   3.743  -6.264
   14   2HZ   LYS   1          2HZ       LYS   1   8.082   5.282  -5.717
   15   3HZ   LYS   1          3HZ       LYS   1   7.804   3.997  -4.715
   16    H    SER   2           H        SER   2   2.620   4.909  -4.210
   17    HA   SER   2           HA       SER   2   2.318   4.703  -1.247
   18   1HB   SER   2          1HB       SER   2   0.094   5.333  -2.108
   19   2HB   SER   2          2HB       SER   2   0.181   4.040  -3.331
   20    HG   SER   2           HG       SER   2  -0.979   3.438  -1.462
   21    H    CYS   3           H        CYS   3   3.302   2.935  -0.567
   22    HA   CYS   3           HA       CYS   3   3.996   0.790  -2.512
   23   1HB   CYS   3          1HB       CYS   3   5.607   2.078  -0.311
   24   2HB   CYS   3          2HB       CYS   3   6.100   0.661  -1.247
   25    H    CYS   4           H        CYS   4   3.603  -1.364  -1.767
   26    HA   CYS   4           HA       CYS   4   2.409  -1.736   0.902
   27   1HB   CYS   4          1HB       CYS   4   2.107  -3.064  -1.802
   28   2HB   CYS   4          2HB       CYS   4   1.470  -3.735  -0.346
   29    H    ARG   5           H        ARG   5   2.878  -3.487   2.124
   30    HA   ARG   5           HA       ARG   5   5.606  -4.100   1.786
   31   1HB   ARG   5          1HB       ARG   5   5.717  -5.046   3.885
   32   2HB   ARG   5          2HB       ARG   5   4.902  -3.472   3.881
   33   1HG   ARG   5          1HG       ARG   5   2.681  -4.714   4.008
   34   2HG   ARG   5          2HG       ARG   5   3.607  -6.223   4.187
   35   1HD   ARG   5          1HD       ARG   5   4.918  -5.145   6.052
   36   2HD   ARG   5          2HD       ARG   5   3.872  -3.719   5.921
   37    HE   ARG   5           HE       ARG   5   2.144  -5.897   6.230
   38   1HH1  ARG   5          1HH1      ARG   5   4.690  -4.387   8.218
   39   2HH1  ARG   5          2HH1      ARG   5   3.953  -4.880   9.724
   40   1HH2  ARG   5          1HH2      ARG   5   1.231  -6.542   8.219
   41   2HH2  ARG   5          2HH2      ARG   5   2.007  -6.114   9.725
   42    H    ASN   6           H        ASN   6   3.143  -5.524   0.306
   43    HA   ASN   6           HA       ASN   6   4.808  -6.963  -1.020
   44   1HB   ASN   6          1HB       ASN   6   3.604  -9.390  -0.624
   45   2HB   ASN   6          2HB       ASN   6   5.100  -8.914   0.154
   46   1HD2  ASN   6          2HD2      ASN   6   1.767  -7.844   1.035
   47   2HD2  ASN   6          1HD2      ASN   6   1.810  -8.544   2.637
   48    H    THR   7           H        THR   7   3.828  -8.360  -2.594
   49    HA   THR   7           HA       THR   7   2.002  -6.785  -4.201
   50    HB   THR   7           HB       THR   7   3.118  -9.468  -4.521
   51    HG1  THR   7           HG1      THR   7   3.770  -6.948  -5.627
   52   1HG2  THR   7          1HG2      THR   7   2.394  -9.032  -6.933
   53   2HG2  THR   7          2HG2      THR   7   1.047  -9.293  -5.798
   54   3HG2  THR   7          3HG2      THR   7   1.469  -7.636  -6.304
   55    H    LEU   8           H        LEU   8   1.763  -9.419  -1.918
   56    HA   LEU   8           HA       LEU   8  -0.954 -10.206  -2.089
   57   1HB   LEU   8          1HB       LEU   8   1.344 -10.659  -0.515
   58   2HB   LEU   8          2HB       LEU   8   0.451  -9.759   0.571
   59    HG   LEU   8           HG       LEU   8  -0.561 -12.340  -0.656
   60   1HD1  LEU   8          1HD1      LEU   8   1.243 -12.600   1.039
   61   2HD1  LEU   8          2HD1      LEU   8   0.327 -11.592   2.174
   62   3HD1  LEU   8          3HD1      LEU   8  -0.307 -13.174   1.681
   63   1HD2  LEU   8          1HD2      LEU   8  -1.864 -10.434   1.356
   64   2HD2  LEU   8          2HD2      LEU   8  -2.474 -10.854  -0.258
   65   3HD2  LEU   8          3HD2      LEU   8  -2.439 -12.080   1.014
   66    H    ALA   9           H        ALA   9   0.804  -7.724  -0.482
   67    HA   ALA   9           HA       ALA   9  -1.527  -6.757   1.072
   68   1HB   ALA   9          1HB       ALA   9  -0.075  -4.829   1.681
   69   2HB   ALA   9          2HB       ALA   9   0.469  -6.454   2.174
   70   3HB   ALA   9          3HB       ALA   9   1.224  -5.625   0.780
   71    H    ARG  10           H        ARG  10   0.285  -5.609  -1.633
   72    HA   ARG  10           HA       ARG  10  -1.130  -3.480  -2.669
   73   1HB   ARG  10          1HB       ARG  10   1.078  -4.275  -3.296
   74   2HB   ARG  10          2HB       ARG  10   0.371  -5.826  -3.699
   75   1HG   ARG  10          1HG       ARG  10   1.080  -4.562  -5.703
   76   2HG   ARG  10          2HG       ARG  10  -0.621  -5.058  -5.699
   77   1HD   ARG  10          1HD       ARG  10  -0.326  -2.779  -6.383
   78   2HD   ARG  10          2HD       ARG  10  -1.314  -2.946  -4.882
   79    HE   ARG  10           HE       ARG  10   1.326  -2.436  -4.081
   80   1HH1  ARG  10          1HH1      ARG  10  -1.323  -0.637  -5.610
   81   2HH1  ARG  10          2HH1      ARG  10  -0.820   0.891  -4.929
   82   1HH2  ARG  10          1HH2      ARG  10   1.976  -0.483  -3.237
   83   2HH2  ARG  10          2HH2      ARG  10   1.078   0.982  -3.572
   84    H    ASN  11           H        ASN  11  -1.721  -6.918  -2.919
   85    HA   ASN  11           HA       ASN  11  -3.972  -6.615  -4.796
   86   1HB   ASN  11          1HB       ASN  11  -3.073  -9.024  -3.181
   87   2HB   ASN  11          2HB       ASN  11  -4.477  -9.024  -4.248
   88   1HD2  ASN  11          2HD2      ASN  11  -2.448 -10.845  -4.674
   89   2HD2  ASN  11          1HD2      ASN  11  -1.606 -10.426  -6.149
   90    H    CYS  12           H        CYS  12  -3.852  -7.396  -1.303
   91    HA   CYS  12           HA       CYS  12  -6.432  -6.960  -0.477
   92   1HB   CYS  12          1HB       CYS  12  -4.801  -7.834   1.009
   93   2HB   CYS  12          2HB       CYS  12  -3.751  -6.446   0.817
   94    H    TYR  13           H        TYR  13  -3.915  -4.591  -1.025
   95    HA   TYR  13           HA       TYR  13  -5.429  -2.308  -0.205
   96   1HB   TYR  13          1HB       TYR  13  -3.036  -2.273  -0.165
   97   2HB   TYR  13          2HB       TYR  13  -2.932  -2.627  -1.880
   98    HD1  TYR  13           HD1      TYR  13  -3.149   0.018   0.593
   99    HD2  TYR  13           HD2      TYR  13  -3.394  -0.920  -3.609
  100    HE1  TYR  13           HE1      TYR  13  -2.846   2.417   0.045
  101    HE2  TYR  13           HE2      TYR  13  -3.098   1.484  -4.167
  102    HH   TYR  13           HH       TYR  13  -2.855   3.632  -3.336
  103    H    ASN  14           H        ASN  14  -4.879  -3.647  -3.447
  104    HA   ASN  14           HA       ASN  14  -6.427  -1.668  -4.885
  105   1HB   ASN  14          1HB       ASN  14  -5.560  -4.508  -5.621
  106   2HB   ASN  14          2HB       ASN  14  -6.313  -3.354  -6.735
  107   1HD2  ASN  14          2HD2      ASN  14  -3.616  -4.669  -6.870
  108   2HD2  ASN  14          1HD2      ASN  14  -2.479  -3.347  -6.994
  109    H    ALA  15           H        ALA  15  -7.039  -4.613  -3.182
  110    HA   ALA  15           HA       ALA  15  -9.799  -4.968  -4.013
  111   1HB   ALA  15          1HB       ALA  15  -8.459  -6.886  -3.233
  112   2HB   ALA  15          2HB       ALA  15  -8.292  -6.110  -1.632
  113   3HB   ALA  15          3HB       ALA  15  -9.889  -6.616  -2.200
  114    H    CYS  16           H        CYS  16  -8.158  -3.408  -1.102
  115    HA   CYS  16           HA       CYS  16 -10.682  -2.837   0.152
  116   1HB   CYS  16          1HB       CYS  16  -8.964  -2.775   1.651
  117   2HB   CYS  16          2HB       CYS  16  -7.794  -2.109   0.522
  118    H    ARG  17           H        ARG  17  -8.706  -1.434  -2.387
  119    HA   ARG  17           HA       ARG  17 -10.079   1.103  -2.513
  120   1HB   ARG  17          2HB       ARG  17  -7.676   0.647  -3.316
  121   2HB   ARG  17          1HB       ARG  17  -8.389  -0.240  -4.652
  122   1HG   ARG  17          1HG       ARG  17  -7.921   1.792  -5.598
  123   2HG   ARG  17          2HG       ARG  17  -9.628   2.015  -5.197
  124   1HD   ARG  17          1HD       ARG  17  -7.205   2.988  -3.607
  125   2HD   ARG  17          2HD       ARG  17  -8.228   3.998  -4.616
  126    HE   ARG  17           HE       ARG  17  -8.891   2.750  -2.002
  127   1HH1  ARG  17          1HH1      ARG  17 -10.017   4.934  -4.595
  128   2HH1  ARG  17          2HH1      ARG  17 -11.454   5.389  -3.707
  129   1HH2  ARG  17          1HH2      ARG  17 -10.768   3.330  -0.932
  130   2HH2  ARG  17          2HH2      ARG  17 -11.873   4.495  -1.627
  131    H    PHE  18           H        PHE  18 -10.507  -2.100  -3.981
  132    HA   PHE  18           HA       PHE  18 -12.723  -1.492  -5.670
  133   1HB   PHE  18          1HB       PHE  18 -11.358  -3.736  -5.338
  134   2HB   PHE  18          2HB       PHE  18 -12.480  -4.090  -4.094
  135    HD1  PHE  18           HD1      PHE  18 -14.921  -4.369  -4.508
  136    HD2  PHE  18           HD2      PHE  18 -12.083  -3.825  -7.725
  137    HE1  PHE  18           HE1      PHE  18 -16.596  -5.213  -6.133
  138    HE2  PHE  18           HE2      PHE  18 -13.766  -4.672  -9.343
  139    HZ   PHE  18           HZ       PHE  18 -16.020  -5.366  -8.554
  140    H    THR  19           H        THR  19 -12.522  -2.744  -2.262
  141    HA   THR  19           HA       THR  19 -15.249  -2.419  -1.688
  142    HB   THR  19           HB       THR  19 -14.723  -3.071   0.431
  143    HG1  THR  19           HG1      THR  19 -13.314  -1.554   1.063
  144   1HG2  THR  19          1HG2      THR  19 -13.941  -5.105   0.014
  145   2HG2  THR  19          2HG2      THR  19 -13.650  -4.562  -1.638
  146   3HG2  THR  19          3HG2      THR  19 -12.357  -4.505  -0.415
  147    H    GLY  20           H        GLY  20 -15.794  -1.238   0.518
  148   1HA   GLY  20          1HA       GLY  20 -15.764   1.674  -0.030
  149   2HA   GLY  20          2HA       GLY  20 -16.755   0.796   1.144
  150    H    GLY  21           H        GLY  21 -13.339   0.175   0.806
  151   1HA   GLY  21          1HA       GLY  21 -12.573   1.343   3.404
  152   2HA   GLY  21          2HA       GLY  21 -11.734   0.081   2.486
  153    H    SER  22           H        SER  22 -11.837   3.362   3.057
  154    HA   SER  22           HA       SER  22 -11.048   4.683   0.782
  155   1HB   SER  22          2HB       SER  22 -10.509   5.254   3.613
  156   2HB   SER  22          1HB       SER  22 -10.464   6.417   2.292
  157    HG   SER  22           HG       SER  22 -12.691   6.006   1.965
  158    H    GLN  23           H        GLN  23  -9.040   5.754   0.988
  159    HA   GLN  23           HA       GLN  23  -6.922   3.915   0.141
  160   1HB   GLN  23          1HB       GLN  23  -6.884   6.955   0.218
  161   2HB   GLN  23          2HB       GLN  23  -5.546   5.937  -0.344
  162   1HG   GLN  23          1HG       GLN  23  -7.028   4.914  -2.027
  163   2HG   GLN  23          2HG       GLN  23  -8.386   5.906  -1.473
  164   1HE2  GLN  23          2HE2      GLN  23  -8.162   6.245  -3.986
  165   2HE2  GLN  23          1HE2      GLN  23  -7.254   7.669  -4.454
  166    HA   PRO  24           HA       PRO  24  -4.888   5.222   4.356
  167   1HB   PRO  24          1HB       PRO  24  -7.622   5.821   5.666
  168   2HB   PRO  24          2HB       PRO  24  -6.050   6.356   6.202
  169   1HG   PRO  24          1HG       PRO  24  -7.648   8.036   4.787
  170   2HG   PRO  24          2HG       PRO  24  -5.953   7.886   4.220
  171   1HD   PRO  24          1HD       PRO  24  -8.381   6.289   3.302
  172   2HD   PRO  24          2HD       PRO  24  -7.292   7.252   2.286
  173    H    THR  25           H        THR  25  -8.157   4.056   4.563
  174    HA   THR  25           HA       THR  25  -7.675   1.911   6.370
  175    HB   THR  25           HB       THR  25  -9.663   2.262   4.257
  176    HG1  THR  25           HG1      THR  25  -9.849   2.355   7.066
  177   1HG2  THR  25          1HG2      THR  25 -10.923   0.302   5.397
  178   2HG2  THR  25          2HG2      THR  25  -9.461  -0.195   4.550
  179   3HG2  THR  25          3HG2      THR  25  -9.427   0.012   6.308
  180    H    CYS  26           H        CYS  26  -7.187   2.028   2.927
  181    HA   CYS  26           HA       CYS  26  -6.490  -0.784   2.700
  182   1HB   CYS  26          1HB       CYS  26  -5.636   1.453   0.783
  183   2HB   CYS  26          2HB       CYS  26  -5.726  -0.271   0.465
  184    H    GLY  27           H        GLY  27  -4.512   2.132   2.809
  185   1HA   GLY  27          1HA       GLY  27  -2.089   0.690   3.129
  186   2HA   GLY  27          2HA       GLY  27  -2.298   2.407   3.522
  187    H    ILE  28           H        ILE  28  -4.587   1.324   5.468
  188    HA   ILE  28           HA       ILE  28  -2.793   0.627   7.649
  189    HB   ILE  28           HB       ILE  28  -5.804   0.933   7.495
  190   1HG1  ILE  28          1HG1      ILE  28  -3.848   2.622   9.152
  191   2HG1  ILE  28          2HG1      ILE  28  -4.065   2.998   7.448
  192   1HG2  ILE  28          1HG2      ILE  28  -5.480  -0.685   9.180
  193   2HG2  ILE  28          2HG2      ILE  28  -4.096   0.194   9.857
  194   3HG2  ILE  28          3HG2      ILE  28  -5.752   0.838  10.010
  195   1HD1  ILE  28          1HD1      ILE  28  -6.317   2.935   9.501
  196   2HD1  ILE  28          2HD1      ILE  28  -5.551   4.374   8.786
  197   3HD1  ILE  28          3HD1      ILE  28  -6.492   3.271   7.767
  198    H    LEU  29           H        LEU  29  -5.564  -0.901   6.129
  199    HA   LEU  29           HA       LEU  29  -5.449  -3.103   7.974
  200   1HB   LEU  29          1HB       LEU  29  -6.909  -2.953   5.292
  201   2HB   LEU  29          2HB       LEU  29  -7.085  -4.287   6.439
  202    HG   LEU  29           HG       LEU  29  -7.738  -1.400   6.989
  203   1HD1  LEU  29          1HD1      LEU  29  -9.285  -2.460   5.338
  204   2HD1  LEU  29          2HD1      LEU  29  -9.571  -3.800   6.459
  205   3HD1  LEU  29          3HD1      LEU  29 -10.135  -2.176   6.869
  206   1HD2  LEU  29          1HD2      LEU  29  -8.962  -2.324   9.020
  207   2HD2  LEU  29          2HD2      LEU  29  -8.215  -3.900   8.684
  208   3HD2  LEU  29          3HD2      LEU  29  -7.212  -2.497   9.120
  209    H    CYS  30           H        CYS  30  -4.504  -2.474   4.736
  210    HA   CYS  30           HA       CYS  30  -3.112  -5.074   4.333
  211   1HB   CYS  30          1HB       CYS  30  -3.096  -2.719   2.439
  212   2HB   CYS  30          2HB       CYS  30  -2.749  -4.393   2.116
  213    H    ASP  31           H        ASP  31  -2.273  -2.215   5.982
  214    HA   ASP  31           HA       ASP  31  -0.292  -1.329   6.625
  215   1HB   ASP  31          1HB       ASP  31   0.789  -4.094   5.961
  216   2HB   ASP  31          2HB       ASP  31   1.552  -2.899   7.010
  217    HD2  ASP  31           HD2      ASP  31  -0.754  -3.351   9.658
  218    H    CYS  32           H        CYS  32  -0.937  -0.547   4.157
  219    HA   CYS  32           HA       CYS  32   1.714  -0.326   2.658
  220   1HB   CYS  32          1HB       CYS  32  -0.904   0.633   1.488
  221   2HB   CYS  32          2HB       CYS  32   0.632   0.437   0.743
  222    H    ILE  33           H        ILE  33   2.200   1.989   1.803
  223    HA   ILE  33           HA       ILE  33   1.507   3.993   3.932
  224    HB   ILE  33           HB       ILE  33   3.951   4.586   3.911
  225   1HG1  ILE  33          1HG1      ILE  33   4.373   1.911   2.529
  226   2HG1  ILE  33          2HG1      ILE  33   4.346   3.431   1.625
  227   1HG2  ILE  33          1HG2      ILE  33   2.930   3.203   5.688
  228   2HG2  ILE  33          2HG2      ILE  33   3.389   1.741   4.799
  229   3HG2  ILE  33          3HG2      ILE  33   4.632   2.841   5.429
  230   1HD1  ILE  33          1HD1      ILE  33   6.257   2.840   3.918
  231   2HD1  ILE  33          2HD1      ILE  33   6.620   2.659   2.185
  232   3HD1  ILE  33          3HD1      ILE  33   6.256   4.259   2.873
  233    H    HIS  34           H        HIS  34   3.051   6.033   3.014
  234    HA   HIS  34           HA       HIS  34   2.618   6.329   0.166
  235   1HB   HIS  34          1HB       HIS  34   0.628   7.449   1.210
  236   2HB   HIS  34          2HB       HIS  34   1.707   8.449   2.183
  237    HD1  HIS  34           HD1      HIS  34  -0.052   8.370  -1.033
  238    HD2  HIS  34           HD2      HIS  34   3.441  10.175   0.504
  239    HE1  HIS  34           HE1      HIS  34   0.592  10.262  -2.630
  240    HE2  HIS  34           HE2      HIS  34   2.725  11.355  -1.712
  241    H    VAL  35           H        VAL  35   4.517   6.735  -0.662
  242    HA   VAL  35           HA       VAL  35   6.603   8.002   1.045
  243    HB   VAL  35           HB       VAL  35   8.220   7.188  -0.364
  244   1HG1  VAL  35          1HG1      VAL  35   6.695   4.893   0.670
  245   2HG1  VAL  35          2HG1      VAL  35   8.443   5.007   0.352
  246   3HG1  VAL  35          3HG1      VAL  35   7.749   6.024   1.617
  247   1HG2  VAL  35          1HG2      VAL  35   7.320   6.729  -2.527
  248   2HG2  VAL  35          2HG2      VAL  35   7.988   5.243  -1.858
  249   3HG2  VAL  35          3HG2      VAL  35   6.227   5.480  -1.825
  250    H    THR  36           H        THR  36   7.692   9.607   0.381
  251    HA   THR  36           HA       THR  36   7.565  10.469  -2.438
  252    HB   THR  36           HB       THR  36   8.221  12.740  -1.823
  253    HG1  THR  36           HG1      THR  36   7.973  13.399   0.352
  254   1HG2  THR  36          1HG2      THR  36   5.819  12.100  -2.202
  255   2HG2  THR  36          2HG2      THR  36   5.613  11.894  -0.453
  256   3HG2  THR  36          3HG2      THR  36   6.007  13.494  -1.110
  257    H    THR  37           H        THR  37   8.725   8.285  -1.676
  258    HA   THR  37           HA       THR  37  11.460   8.531  -0.983
  259    HB   THR  37           HB       THR  37  10.207   6.089  -1.738
  260    HG1  THR  37           HG1      THR  37  10.296   5.823   0.603
  261   1HG2  THR  37          1HG2      THR  37  12.096   5.147  -0.293
  262   2HG2  THR  37          2HG2      THR  37  12.513   5.641  -1.912
  263   3HG2  THR  37          3HG2      THR  37  12.898   6.709  -0.535
  264    H    THR  38           H        THR  38  12.666   7.334  -2.621
  265    HA   THR  38           HA       THR  38  12.819   8.382  -5.340
  266    HB   THR  38           HB       THR  38  14.625   6.627  -5.455
  267    HG1  THR  38           HG1      THR  38  15.324   5.717  -3.512
  268   1HG2  THR  38          1HG2      THR  38  15.153   8.979  -4.860
  269   2HG2  THR  38          2HG2      THR  38  14.880   8.599  -3.144
  270   3HG2  THR  38          3HG2      THR  38  16.228   7.846  -4.024
  271    H    THR  39           H        THR  39  12.007   5.221  -3.769
  272    HA   THR  39           HA       THR  39  10.385   4.138  -5.872
  273    HB   THR  39           HB       THR  39  12.611   2.618  -4.809
  274    HG1  THR  39           HG1      THR  39  13.044   4.374  -6.987
  275   1HG2  THR  39          1HG2      THR  39  11.324   2.732  -7.548
  276   2HG2  THR  39          2HG2      THR  39  12.607   1.584  -7.087
  277   3HG2  THR  39          3HG2      THR  39  11.031   1.497  -6.293
  278    H    CYS  40           H        CYS  40   9.821   2.022  -4.980
  279    HA   CYS  40           HA       CYS  40   8.674   2.368  -2.427
  280   1HB   CYS  40          1HB       CYS  40   8.617   0.045  -4.369
  281   2HB   CYS  40          2HB       CYS  40   7.900  -0.099  -2.779
  282    HA   PRO  41           HA       PRO  41  12.238   1.474  -0.138
  283   1HB   PRO  41          1HB       PRO  41  11.281   1.669   2.407
  284   2HB   PRO  41          2HB       PRO  41  11.325   3.031   1.266
  285   1HG   PRO  41          1HG       PRO  41   8.983   1.183   1.812
  286   2HG   PRO  41          2HG       PRO  41   9.004   2.971   1.856
  287   1HD   PRO  41          1HD       PRO  41   8.187   1.756  -0.413
  288   2HD   PRO  41          2HD       PRO  41   9.296   3.150  -0.475
  289    H    SER  42           H        SER  42  13.078   0.355   1.696
  290    HA   SER  42           HA       SER  42  13.205  -2.453   1.570
  291   1HB   SER  42          1HB       SER  42  13.740  -0.459   3.813
  292   2HB   SER  42          2HB       SER  42  14.236  -2.161   3.840
  293    HG   SER  42           HG       SER  42  15.915  -0.795   3.112
  294    H    SER  43           H        SER  43  11.017  -0.232   3.363
  295    HA   SER  43           HA       SER  43  10.148  -2.384   5.190
  296   1HB   SER  43          1HB       SER  43  10.188  -0.027   6.050
  297   2HB   SER  43          2HB       SER  43   8.933   0.265   4.935
  298    HG   SER  43           HG       SER  43   7.812  -1.517   6.036
  299    H    HIS  44           H        HIS  44   9.287  -0.912   2.215
  300    HA   HIS  44           HA       HIS  44   6.799  -2.582   2.000
  301   1HB   HIS  44          1HB       HIS  44   6.926   0.326   1.212
  302   2HB   HIS  44          2HB       HIS  44   5.578  -0.788   0.967
  303    HD1  HIS  44           HD1      HIS  44   7.606   0.841   3.689
  304    HD2  HIS  44           HD2      HIS  44   4.058  -1.323   3.157
  305    HE1  HIS  44           HE1      HIS  44   6.688   0.501   5.992
  306    HE2  HIS  44           HE2      HIS  44   4.383  -0.732   5.726
  307    HA   PRO  45           HA       PRO  45   9.557  -2.994  -1.785
  308   1HB   PRO  45          1HB       PRO  45   8.989  -5.643  -2.446
  309   2HB   PRO  45          2HB       PRO  45  10.238  -5.097  -1.306
  310   1HG   PRO  45          1HG       PRO  45   7.399  -5.936  -0.649
  311   2HG   PRO  45          2HG       PRO  45   8.915  -6.527   0.096
  312   1HD   PRO  45          1HD       PRO  45   7.546  -4.615   1.326
  313   2HD   PRO  45          2HD       PRO  45   9.288  -4.383   1.148
  314    H    SER  46           H        SER  46   5.981  -3.854  -1.669
  315    HA   SER  46           HA       SER  46   5.906  -4.072  -4.587
  316   1HB   SER  46          1HB       SER  46   4.714  -5.739  -3.372
  317   2HB   SER  46          2HB       SER  46   3.908  -4.586  -2.353
  318    HG   SER  46           HG       SER  46   2.928  -3.798  -4.335
  319    HXT  SER  46           HO        OH  47   6.596  -1.890  -4.815
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1   3.416   9.557  -3.366
    2   2H    LYS   1          2H        LYS   1   3.335   9.522  -5.010
    3   3H    LYS   1          3H        LYS   1   2.083   8.939  -4.110
    4    HA   LYS   1           HA       LYS   1   3.328   7.189  -5.035
    5   1HB   LYS   1          1HB       LYS   1   5.543   8.835  -4.499
    6   2HB   LYS   1          2HB       LYS   1   5.721   7.535  -3.330
    7   1HG   LYS   1          1HG       LYS   1   5.460   7.197  -6.341
    8   2HG   LYS   1          2HG       LYS   1   6.944   7.116  -5.383
    9   1HD   LYS   1          1HD       LYS   1   5.853   5.194  -4.077
   10   2HD   LYS   1          2HD       LYS   1   4.587   5.187  -5.306
   11   1HE   LYS   1          1HE       LYS   1   6.126   3.527  -6.026
   12   2HE   LYS   1          2HE       LYS   1   6.444   4.919  -7.064
   13   1HZ   LYS   1          1HZ       LYS   1   8.440   3.918  -6.242
   14   2HZ   LYS   1          2HZ       LYS   1   8.308   5.451  -5.643
   15   3HZ   LYS   1          3HZ       LYS   1   7.978   4.153  -4.678
   16    H    SER   2           H        SER   2   2.811   5.309  -4.045
   17    HA   SER   2           HA       SER   2   2.583   4.983  -1.086
   18   1HB   SER   2          1HB       SER   2   0.270   4.821  -3.078
   19   2HB   SER   2          2HB       SER   2   0.238   4.181  -1.423
   20    HG   SER   2           HG       SER   2   0.671   6.297  -0.685
   21    H    CYS   3           H        CYS   3   3.444   3.160  -0.574
   22    HA   CYS   3           HA       CYS   3   3.895   1.088  -2.662
   23   1HB   CYS   3          1HB       CYS   3   5.684   2.275  -0.536
   24   2HB   CYS   3          2HB       CYS   3   6.067   0.793  -1.410
   25    H    CYS   4           H        CYS   4   3.646  -1.145  -1.927
   26    HA   CYS   4           HA       CYS   4   2.280  -1.428   0.679
   27   1HB   CYS   4          1HB       CYS   4   2.090  -2.820  -2.003
   28   2HB   CYS   4          2HB       CYS   4   1.450  -3.504  -0.566
   29    H    ARG   5           H        ARG   5   2.533  -3.081   1.807
   30    HA   ARG   5           HA       ARG   5   5.055  -3.830   2.449
   31   1HB   ARG   5          1HB       ARG   5   3.277  -3.554   4.022
   32   2HB   ARG   5          2HB       ARG   5   2.217  -4.658   3.138
   33   1HG   ARG   5          1HG       ARG   5   2.744  -5.740   5.069
   34   2HG   ARG   5          2HG       ARG   5   3.648  -6.546   3.788
   35   1HD   ARG   5          1HD       ARG   5   5.188  -6.232   5.683
   36   2HD   ARG   5          2HD       ARG   5   5.676  -5.078   4.421
   37    HE   ARG   5           HE       ARG   5   3.813  -3.801   6.126
   38   1HH1  ARG   5          1HH1      ARG   5   7.155  -5.028   6.320
   39   2HH1  ARG   5          2HH1      ARG   5   7.626  -3.858   7.531
   40   1HH2  ARG   5          1HH2      ARG   5   4.462  -2.294   7.686
   41   2HH2  ARG   5          2HH2      ARG   5   6.099  -2.310   8.306
   42    H    ASN   6           H        ASN   6   2.945  -5.330   0.179
   43    HA   ASN   6           HA       ASN   6   4.800  -6.733  -1.057
   44   1HB   ASN   6          1HB       ASN   6   3.604  -9.154  -0.613
   45   2HB   ASN   6          2HB       ASN   6   5.111  -8.645   0.121
   46   1HD2  ASN   6          2HD2      ASN   6   1.711  -7.749   0.974
   47   2HD2  ASN   6          1HD2      ASN   6   1.808  -8.357   2.615
   48    H    THR   7           H        THR   7   3.892  -8.178  -2.625
   49    HA   THR   7           HA       THR   7   2.112  -6.623  -4.245
   50    HB   THR   7           HB       THR   7   3.161  -9.340  -4.520
   51    HG1  THR   7           HG1      THR   7   4.686  -7.653  -4.651
   52   1HG2  THR   7          1HG2      THR   7   1.557  -7.535  -6.374
   53   2HG2  THR   7          2HG2      THR   7   2.442  -8.977  -6.957
   54   3HG2  THR   7          3HG2      THR   7   1.094  -9.155  -5.810
   55    H    LEU   8           H        LEU   8   1.795  -9.246  -2.007
   56    HA   LEU   8           HA       LEU   8  -0.922  -9.987  -2.195
   57   1HB   LEU   8          1HB       LEU   8   1.372 -10.465  -0.604
   58   2HB   LEU   8          2HB       LEU   8   0.479  -9.571   0.482
   59    HG   LEU   8           HG       LEU   8  -0.529 -12.162  -0.720
   60   1HD1  LEU   8          1HD1      LEU   8  -0.270 -12.952   1.623
   61   2HD1  LEU   8          2HD1      LEU   8   1.277 -12.363   0.981
   62   3HD1  LEU   8          3HD1      LEU   8   0.338 -11.359   2.099
   63   1HD2  LEU   8          1HD2      LEU   8  -2.447 -10.673  -0.346
   64   2HD2  LEU   8          2HD2      LEU   8  -2.401 -11.858   0.963
   65   3HD2  LEU   8          3HD2      LEU   8  -1.831 -10.205   1.251
   66    H    ALA   9           H        ALA   9   0.828  -7.523  -0.554
   67    HA   ALA   9           HA       ALA   9  -1.464  -6.586   1.022
   68   1HB   ALA   9          1HB       ALA   9   0.563  -6.213   1.998
   69   2HB   ALA   9          2HB       ALA   9   1.147  -5.285   0.579
   70   3HB   ALA   9          3HB       ALA   9  -0.156  -4.627   1.576
   71    H    ARG  10           H        ARG  10   0.190  -5.497  -1.851
   72    HA   ARG  10           HA       ARG  10  -1.382  -3.282  -2.659
   73   1HB   ARG  10          1HB       ARG  10   0.729  -3.758  -3.498
   74   2HB   ARG  10          2HB       ARG  10   0.266  -5.343  -4.093
   75   1HG   ARG  10          1HG       ARG  10  -1.143  -4.517  -5.791
   76   2HG   ARG  10          2HG       ARG  10  -1.261  -2.892  -5.081
   77   1HD   ARG  10          1HD       ARG  10   1.333  -4.166  -5.887
   78   2HD   ARG  10          2HD       ARG  10   0.325  -3.213  -6.998
   79    HE   ARG  10           HE       ARG  10   1.174  -2.082  -4.342
   80   1HH1  ARG  10          1HH1      ARG  10   1.178  -1.553  -7.857
   81   2HH1  ARG  10          2HH1      ARG  10   1.662   0.118  -7.677
   82   1HH2  ARG  10          1HH2      ARG  10   1.861  -0.014  -4.153
   83   2HH2  ARG  10          2HH2      ARG  10   2.042   1.009  -5.563
   84    H    ASN  11           H        ASN  11  -1.630  -6.702  -3.197
   85    HA   ASN  11           HA       ASN  11  -4.033  -6.609  -4.853
   86   1HB   ASN  11          1HB       ASN  11  -3.010  -8.932  -3.178
   87   2HB   ASN  11          2HB       ASN  11  -4.377  -9.015  -4.287
   88   1HD2  ASN  11          2HD2      ASN  11  -2.198 -10.712  -4.595
   89   2HD2  ASN  11          1HD2      ASN  11  -1.376 -10.295  -6.084
   90    H    CYS  12           H        CYS  12  -3.816  -7.346  -1.351
   91    HA   CYS  12           HA       CYS  12  -6.411  -7.075  -0.497
   92   1HB   CYS  12          1HB       CYS  12  -4.688  -7.853   0.955
   93   2HB   CYS  12          2HB       CYS  12  -3.741  -6.391   0.760
   94    H    TYR  13           H        TYR  13  -4.039  -4.564  -1.022
   95    HA   TYR  13           HA       TYR  13  -5.668  -2.391  -0.159
   96   1HB   TYR  13          1HB       TYR  13  -3.312  -2.156  -0.144
   97   2HB   TYR  13          2HB       TYR  13  -3.172  -2.569  -1.837
   98    HD1  TYR  13           HD1      TYR  13  -3.433   0.155   0.488
   99    HD2  TYR  13           HD2      TYR  13  -3.768  -0.987  -3.654
  100    HE1  TYR  13           HE1      TYR  13  -3.103   2.522  -0.186
  101    HE2  TYR  13           HE2      TYR  13  -3.464   1.374  -4.337
  102    HH   TYR  13           HH       TYR  13  -3.116   3.552  -3.632
  103    H    ASN  14           H        ASN  14  -5.138  -3.637  -3.422
  104    HA   ASN  14           HA       ASN  14  -6.816  -1.743  -4.814
  105   1HB   ASN  14          1HB       ASN  14  -5.853  -4.536  -5.571
  106   2HB   ASN  14          2HB       ASN  14  -6.700  -3.439  -6.658
  107   1HD2  ASN  14          2HD2      ASN  14  -3.970  -4.622  -6.907
  108   2HD2  ASN  14          1HD2      ASN  14  -2.891  -3.252  -7.088
  109    H    ALA  15           H        ALA  15  -7.208  -4.781  -3.194
  110    HA   ALA  15           HA       ALA  15  -9.971  -5.231  -3.886
  111   1HB   ALA  15          1HB       ALA  15  -8.487  -7.075  -3.169
  112   2HB   ALA  15          2HB       ALA  15  -8.345  -6.329  -1.558
  113   3HB   ALA  15          3HB       ALA  15  -9.916  -6.920  -2.108
  114    H    CYS  16           H        CYS  16  -8.363  -3.608  -1.001
  115    HA   CYS  16           HA       CYS  16 -10.879  -3.243   0.333
  116   1HB   CYS  16          1HB       CYS  16  -9.158  -3.083   1.813
  117   2HB   CYS  16          2HB       CYS  16  -8.035  -2.366   0.670
  118    H    ARG  17           H        ARG  17  -9.074  -1.658  -2.213
  119    HA   ARG  17           HA       ARG  17 -10.558   0.831  -2.213
  120   1HB   ARG  17          2HB       ARG  17  -8.199   0.624  -3.045
  121   2HB   ARG  17          1HB       ARG  17  -8.793  -0.398  -4.349
  122   1HG   ARG  17          1HG       ARG  17  -8.463   1.631  -5.361
  123   2HG   ARG  17          2HG       ARG  17 -10.207   1.629  -5.105
  124   1HD   ARG  17          1HD       ARG  17  -8.114   3.024  -3.357
  125   2HD   ARG  17          2HD       ARG  17  -9.041   3.806  -4.631
  126    HE   ARG  17           HE       ARG  17 -10.113   2.652  -2.085
  127   1HH1  ARG  17          1HH1      ARG  17 -10.502   5.138  -4.627
  128   2HH1  ARG  17          2HH1      ARG  17 -11.879   5.847  -3.818
  129   1HH2  ARG  17          1HH2      ARG  17 -11.900   3.562  -1.143
  130   2HH2  ARG  17          2HH2      ARG  17 -12.678   4.958  -1.857
  131    H    PHE  18           H        PHE  18 -10.837  -2.341  -3.809
  132    HA   PHE  18           HA       PHE  18 -13.117  -1.817  -5.431
  133   1HB   PHE  18          1HB       PHE  18 -11.590  -3.974  -5.208
  134   2HB   PHE  18          2HB       PHE  18 -12.674  -4.452  -3.965
  135    HD1  PHE  18           HD1      PHE  18 -12.332  -3.978  -7.587
  136    HD2  PHE  18           HD2      PHE  18 -15.087  -4.907  -4.384
  137    HE1  PHE  18           HE1      PHE  18 -13.951  -4.880  -9.242
  138    HE2  PHE  18           HE2      PHE  18 -16.697  -5.821  -6.043
  139    HZ   PHE  18           HZ       PHE  18 -16.137  -5.809  -8.464
  140    H    THR  19           H        THR  19 -12.789  -3.212  -2.087
  141    HA   THR  19           HA       THR  19 -15.524  -3.134  -1.469
  142    HB   THR  19           HB       THR  19 -14.887  -3.811   0.642
  143    HG1  THR  19           HG1      THR  19 -12.896  -3.521   1.548
  144   1HG2  THR  19          1HG2      THR  19 -14.080  -5.782   0.024
  145   2HG2  THR  19          2HG2      THR  19 -13.686  -5.125  -1.555
  146   3HG2  THR  19          3HG2      THR  19 -12.484  -5.101  -0.246
  147    H    GLY  20           H        GLY  20 -16.087  -2.078   0.829
  148   1HA   GLY  20          1HA       GLY  20 -16.225   0.861   0.435
  149   2HA   GLY  20          2HA       GLY  20 -17.124  -0.117   1.604
  150    H    GLY  21           H        GLY  21 -13.697  -0.568   1.107
  151   1HA   GLY  21          1HA       GLY  21 -12.860   0.872   3.503
  152   2HA   GLY  21          2HA       GLY  21 -11.926  -0.286   2.540
  153    H    SER  22           H        SER  22 -11.796   2.588   3.111
  154    HA   SER  22           HA       SER  22 -11.966   4.414   1.023
  155   1HB   SER  22          2HB       SER  22 -10.153   4.482   3.307
  156   2HB   SER  22          1HB       SER  22 -10.817   5.841   2.396
  157    HG   SER  22           HG       SER  22 -12.264   4.062   4.035
  158    H    GLN  23           H        GLN  23  -9.285   5.296   1.386
  159    HA   GLN  23           HA       GLN  23  -7.570   3.444  -0.191
  160   1HB   GLN  23          1HB       GLN  23  -8.147   5.260  -1.655
  161   2HB   GLN  23          2HB       GLN  23  -7.599   6.477  -0.532
  162   1HG   GLN  23          1HG       GLN  23  -5.837   4.305  -1.758
  163   2HG   GLN  23          2HG       GLN  23  -6.005   5.937  -2.407
  164   1HE2  GLN  23          2HE2      GLN  23  -5.759   7.706  -0.436
  165   2HE2  GLN  23          1HE2      GLN  23  -4.256   7.491   0.441
  166    HA   PRO  24           HA       PRO  24  -5.103   5.328   3.565
  167   1HB   PRO  24          1HB       PRO  24  -7.683   6.117   5.059
  168   2HB   PRO  24          2HB       PRO  24  -6.051   6.674   5.353
  169   1HG   PRO  24          1HG       PRO  24  -7.753   8.223   3.908
  170   2HG   PRO  24          2HG       PRO  24  -6.143   7.930   3.166
  171   1HD   PRO  24          1HD       PRO  24  -8.683   6.324   2.822
  172   2HD   PRO  24          2HD       PRO  24  -7.758   7.088   1.521
  173    H    THR  25           H        THR  25  -8.313   4.195   4.262
  174    HA   THR  25           HA       THR  25  -7.638   2.251   6.211
  175    HB   THR  25           HB       THR  25  -9.774   2.349   4.209
  176    HG1  THR  25           HG1      THR  25 -11.046   2.872   6.054
  177   1HG2  THR  25          1HG2      THR  25 -10.949   0.517   5.635
  178   2HG2  THR  25          2HG2      THR  25  -9.551  -0.054   4.737
  179   3HG2  THR  25          3HG2      THR  25  -9.382   0.316   6.454
  180    H    CYS  26           H        CYS  26  -7.393   2.048   2.744
  181    HA   CYS  26           HA       CYS  26  -6.758  -0.811   2.696
  182   1HB   CYS  26          1HB       CYS  26  -6.089   1.301   0.586
  183   2HB   CYS  26          2HB       CYS  26  -6.130  -0.431   0.387
  184    H    GLY  27           H        GLY  27  -4.805   2.093   2.405
  185   1HA   GLY  27          1HA       GLY  27  -2.330   0.804   2.850
  186   2HA   GLY  27          2HA       GLY  27  -2.639   2.515   3.199
  187    H    ILE  28           H        ILE  28  -4.847   1.584   5.209
  188    HA   ILE  28           HA       ILE  28  -3.036   0.957   7.373
  189    HB   ILE  28           HB       ILE  28  -6.130   0.922   7.421
  190   1HG1  ILE  28          1HG1      ILE  28  -5.895   3.196   7.109
  191   2HG1  ILE  28          2HG1      ILE  28  -5.700   3.119   8.835
  192   1HG2  ILE  28          1HG2      ILE  28  -5.832   1.135   9.872
  193   2HG2  ILE  28          2HG2      ILE  28  -5.279  -0.386   9.198
  194   3HG2  ILE  28          3HG2      ILE  28  -4.076   0.852   9.617
  195   1HD1  ILE  28          1HD1      ILE  28  -3.211   3.054   8.483
  196   2HD1  ILE  28          2HD1      ILE  28  -3.506   3.326   6.744
  197   3HD1  ILE  28          3HD1      ILE  28  -4.020   4.547   7.913
  198    H    LEU  29           H        LEU  29  -5.732  -0.788   6.073
  199    HA   LEU  29           HA       LEU  29  -5.445  -2.997   7.942
  200   1HB   LEU  29          1HB       LEU  29  -7.017  -2.924   5.330
  201   2HB   LEU  29          2HB       LEU  29  -7.158  -4.181   6.554
  202    HG   LEU  29           HG       LEU  29  -7.791  -1.259   6.966
  203   1HD1  LEU  29          1HD2      LEU  29 -10.181  -1.989   6.954
  204   2HD1  LEU  29          2HD2      LEU  29  -9.384  -2.390   5.416
  205   3HD1  LEU  29          3HD2      LEU  29  -9.667  -3.658   6.628
  206   1HD2  LEU  29          1HD1      LEU  29  -7.184  -2.242   9.116
  207   2HD2  LEU  29          2HD1      LEU  29  -8.936  -2.035   9.071
  208   3HD2  LEU  29          3HD1      LEU  29  -8.234  -3.644   8.816
  209    H    CYS  30           H        CYS  30  -4.622  -2.357   4.669
  210    HA   CYS  30           HA       CYS  30  -3.188  -4.940   4.314
  211   1HB   CYS  30          1HB       CYS  30  -3.309  -2.664   2.331
  212   2HB   CYS  30          2HB       CYS  30  -2.890  -4.333   2.057
  213    H    ASP  31           H        ASP  31  -2.396  -1.992   5.843
  214    HA   ASP  31           HA       ASP  31  -0.434  -1.063   6.435
  215   1HB   ASP  31          1HB       ASP  31   0.715  -3.825   5.828
  216   2HB   ASP  31          2HB       ASP  31   1.449  -2.591   6.839
  217    HD2  ASP  31           HD2      ASP  31   0.084  -1.815   8.632
  218    H    CYS  32           H        CYS  32  -1.127  -0.354   3.940
  219    HA   CYS  32           HA       CYS  32   1.527  -0.107   2.453
  220   1HB   CYS  32          1HB       CYS  32  -1.093   0.785   1.232
  221   2HB   CYS  32          2HB       CYS  32   0.475   0.641   0.524
  222    H    ILE  33           H        ILE  33   2.217   2.077   1.772
  223    HA   ILE  33           HA       ILE  33   1.539   4.045   3.950
  224    HB   ILE  33           HB       ILE  33   3.998   4.445   4.057
  225   1HG1  ILE  33          1HG1      ILE  33   4.326   1.859   2.498
  226   2HG1  ILE  33          2HG1      ILE  33   4.451   3.448   1.716
  227   1HG2  ILE  33          1HG2      ILE  33   2.808   3.028   5.675
  228   2HG2  ILE  33          2HG2      ILE  33   3.158   1.603   4.688
  229   3HG2  ILE  33          3HG2      ILE  33   4.477   2.514   5.449
  230   1HD1  ILE  33          1HD1      ILE  33   6.204   2.533   4.022
  231   2HD1  ILE  33          2HD1      ILE  33   6.649   2.536   2.310
  232   3HD1  ILE  33          3HD1      ILE  33   6.324   4.063   3.150
  233    H    HIS  34           H        HIS  34   3.336   5.989   3.160
  234    HA   HIS  34           HA       HIS  34   2.948   6.509   0.348
  235   1HB   HIS  34          1HB       HIS  34   1.036   7.715   1.460
  236   2HB   HIS  34          2HB       HIS  34   2.194   8.584   2.473
  237    HD1  HIS  34           HD1      HIS  34   4.113   9.996   0.911
  238    HD2  HIS  34           HD2      HIS  34   0.376   9.021  -0.802
  239    HE1  HIS  34           HE1      HIS  34   3.790  11.498  -1.132
  240    HE2  HIS  34           HE2      HIS  34   1.516  10.928  -2.169
  241    H    VAL  35           H        VAL  35   4.855   6.858  -0.459
  242    HA   VAL  35           HA       VAL  35   7.028   7.905   1.300
  243    HB   VAL  35           HB       VAL  35   8.580   7.053  -0.170
  244   1HG1  VAL  35          1HG1      VAL  35   6.932   4.818   0.818
  245   2HG1  VAL  35          2HG1      VAL  35   8.671   4.835   0.441
  246   3HG1  VAL  35          3HG1      VAL  35   8.083   5.843   1.770
  247   1HG2  VAL  35          1HG2      VAL  35   8.205   5.202  -1.746
  248   2HG2  VAL  35          2HG2      VAL  35   6.465   5.529  -1.668
  249   3HG2  VAL  35          3HG2      VAL  35   7.612   6.753  -2.322
  250    H    THR  36           H        THR  36   8.211   9.470   0.675
  251    HA   THR  36           HA       THR  36   8.085  10.473  -2.094
  252    HB   THR  36           HB       THR  36   8.890  12.666  -1.392
  253    HG1  THR  36           HG1      THR  36   9.781  12.030   0.626
  254   1HG2  THR  36          1HG2      THR  36   6.278  11.903   0.019
  255   2HG2  THR  36          2HG2      THR  36   6.750  13.519  -0.536
  256   3HG2  THR  36          3HG2      THR  36   6.455  12.222  -1.716
  257    H    THR  37           H        THR  37   9.112   8.179  -1.443
  258    HA   THR  37           HA       THR  37  11.863   8.249  -0.772
  259    HB   THR  37           HB       THR  37  10.456   5.914  -1.604
  260    HG1  THR  37           HG1      THR  37  10.629   5.545   0.738
  261   1HG2  THR  37          1HG2      THR  37  12.303   4.770  -0.270
  262   2HG2  THR  37          2HG2      THR  37  12.766   5.337  -1.845
  263   3HG2  THR  37          3HG2      THR  37  13.210   6.292  -0.408
  264    H    THR  38           H        THR  38  12.982   7.045  -2.450
  265    HA   THR  38           HA       THR  38  13.137   8.174  -5.168
  266    HB   THR  38           HB       THR  38  14.640   5.897  -4.080
  267    HG1  THR  38           HG1      THR  38  15.027   7.813  -2.934
  268   1HG2  THR  38          1HG2      THR  38  14.709   5.977  -6.562
  269   2HG2  THR  38          2HG2      THR  38  15.187   7.685  -6.495
  270   3HG2  THR  38          3HG2      THR  38  16.282   6.429  -5.887
  271    H    THR  39           H        THR  39  12.177   5.004  -3.677
  272    HA   THR  39           HA       THR  39  10.535   4.066  -5.833
  273    HB   THR  39           HB       THR  39  12.620   2.381  -4.741
  274    HG1  THR  39           HG1      THR  39  14.134   2.904  -6.388
  275   1HG2  THR  39          1HG2      THR  39  11.009   1.383  -6.262
  276   2HG2  THR  39          2HG2      THR  39  11.398   2.614  -7.498
  277   3HG2  THR  39          3HG2      THR  39  12.598   1.378  -7.036
  278    H    CYS  40           H        CYS  40   9.801   1.983  -4.991
  279    HA   CYS  40           HA       CYS  40   8.673   2.248  -2.405
  280   1HB   CYS  40          1HB       CYS  40   8.637  -0.064  -4.379
  281   2HB   CYS  40          2HB       CYS  40   7.842  -0.150  -2.818
  282    HA   PRO  41           HA       PRO  41  12.347   1.044  -0.267
  283   1HB   PRO  41          1HB       PRO  41  11.500   1.330   2.299
  284   2HB   PRO  41          2HB       PRO  41  11.600   2.701   1.175
  285   1HG   PRO  41          1HG       PRO  41   9.142   1.022   1.779
  286   2HG   PRO  41          2HG       PRO  41   9.283   2.804   1.859
  287   1HD   PRO  41          1HD       PRO  41   8.305   1.681  -0.378
  288   2HD   PRO  41          2HD       PRO  41   9.483   3.015  -0.480
  289    H    SER  42           H        SER  42  13.096  -0.277   1.483
  290    HA   SER  42           HA       SER  42  12.666  -3.089   1.260
  291   1HB   SER  42          1HB       SER  42  13.823  -1.350   3.478
  292   2HB   SER  42          2HB       SER  42  13.957  -3.119   3.397
  293    HG   SER  42           HG       SER  42  15.067  -2.845   1.398
  294    H    SER  43           H        SER  43  11.149  -0.518   3.277
  295    HA   SER  43           HA       SER  43  10.043  -2.207   5.298
  296   1HB   SER  43          2HB       SER  43   9.460   0.522   4.369
  297   2HB   SER  43          1HB       SER  43   8.805  -0.197   5.830
  298    HG   SER  43           HG       SER  43  10.967  -0.440   6.564
  299    H    HIS  44           H        HIS  44   9.202  -1.124   2.150
  300    HA   HIS  44           HA       HIS  44   6.536  -2.535   2.050
  301   1HB   HIS  44          1HB       HIS  44   6.905   0.426   1.693
  302   2HB   HIS  44          2HB       HIS  44   5.498  -0.490   1.166
  303    HD1  HIS  44           HD1      HIS  44   7.281   0.505   4.399
  304    HD2  HIS  44           HD2      HIS  44   3.794  -1.416   3.064
  305    HE1  HIS  44           HE1      HIS  44   5.821   0.092   6.457
  306    HE2  HIS  44           HE2      HIS  44   3.679  -1.073   5.657
  307    HA   PRO  45           HA       PRO  45   9.475  -2.930  -1.545
  308   1HB   PRO  45          1HB       PRO  45   9.065  -5.594  -2.139
  309   2HB   PRO  45          2HB       PRO  45  10.144  -5.000  -0.848
  310   1HG   PRO  45          1HG       PRO  45   7.254  -5.873  -0.556
  311   2HG   PRO  45          2HG       PRO  45   8.659  -6.424   0.403
  312   1HD   PRO  45          1HD       PRO  45   7.093  -4.482   1.352
  313   2HD   PRO  45          2HD       PRO  45   8.861  -4.284   1.478
  314    H    SER  46           H        SER  46   5.916  -3.747  -1.559
  315    HA   SER  46           HA       SER  46   5.952  -3.948  -4.503
  316   1HB   SER  46          1HB       SER  46   4.658  -5.549  -3.388
  317   2HB   SER  46          2HB       SER  46   3.885  -4.369  -2.326
  318    HG   SER  46           HG       SER  46   2.947  -3.485  -4.266
  319    HXT  SER  46           HO        OH  47   5.689  -1.500  -2.172
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1   2.843   9.378  -5.161
    2   2H    LYS   1          2H        LYS   1   1.664   8.830  -4.138
    3   3H    LYS   1          3H        LYS   1   3.081   9.413  -3.531
    4    HA   LYS   1           HA       LYS   1   2.764   7.043  -5.173
    5   1HB   LYS   1          1HB       LYS   1   4.998   8.555  -5.112
    6   2HB   LYS   1          2HB       LYS   1   5.320   7.565  -3.700
    7   1HG   LYS   1          1HG       LYS   1   4.843   6.615  -6.552
    8   2HG   LYS   1          2HG       LYS   1   6.366   6.676  -5.671
    9   1HD   LYS   1          1HD       LYS   1   5.210   5.024  -3.981
   10   2HD   LYS   1          2HD       LYS   1   4.026   4.788  -5.277
   11   1HE   LYS   1          1HE       LYS   1   5.687   3.050  -5.472
   12   2HE   LYS   1          2HE       LYS   1   5.927   4.166  -6.834
   13   1HZ   LYS   1          1HZ       LYS   1   7.726   5.142  -5.601
   14   2HZ   LYS   1          2HZ       LYS   1   7.457   4.118  -4.332
   15   3HZ   LYS   1          3HZ       LYS   1   7.953   3.522  -5.789
   16    H    SER   2           H        SER   2   2.365   5.165  -4.149
   17    HA   SER   2           HA       SER   2   2.353   4.892  -1.183
   18   1HB   SER   2          1HB       SER   2  -0.005   4.404  -3.063
   19   2HB   SER   2          2HB       SER   2   0.076   3.879  -1.378
   20    HG   SER   2           HG       SER   2  -1.002   5.855  -1.584
   21    H    CYS   3           H        CYS   3   3.193   3.014  -0.568
   22    HA   CYS   3           HA       CYS   3   3.575   0.942  -2.644
   23   1HB   CYS   3          1HB       CYS   3   5.627   2.316  -2.264
   24   2HB   CYS   3          2HB       CYS   3   5.678   1.647  -0.619
   25    H    CYS   4           H        CYS   4   3.593  -1.317  -1.794
   26    HA   CYS   4           HA       CYS   4   2.366  -1.686   0.866
   27   1HB   CYS   4          1HB       CYS   4   2.148  -3.070  -1.831
   28   2HB   CYS   4          2HB       CYS   4   1.485  -3.712  -0.367
   29    H    ARG   5           H        ARG   5   2.908  -3.396   2.104
   30    HA   ARG   5           HA       ARG   5   5.612  -4.027   1.737
   31   1HB   ARG   5          1HB       ARG   5   5.694  -5.006   3.875
   32   2HB   ARG   5          2HB       ARG   5   4.934  -3.415   3.868
   33   1HG   ARG   5          1HG       ARG   5   2.673  -4.555   4.000
   34   2HG   ARG   5          2HG       ARG   5   3.528  -6.107   4.135
   35   1HD   ARG   5          1HD       ARG   5   4.870  -5.110   6.043
   36   2HD   ARG   5          2HD       ARG   5   3.850  -3.658   5.938
   37    HE   ARG   5           HE       ARG   5   2.112  -5.856   6.171
   38   1HH1  ARG   5          1HH1      ARG   5   4.565  -4.278   8.217
   39   2HH1  ARG   5          2HH1      ARG   5   3.810  -4.784   9.704
   40   1HH2  ARG   5          1HH2      ARG   5   1.158  -6.505   8.146
   41   2HH2  ARG   5          2HH2      ARG   5   1.892  -6.052   9.672
   42    H    ASN   6           H        ASN   6   3.093  -5.513   0.342
   43    HA   ASN   6           HA       ASN   6   4.809  -6.991  -0.938
   44   1HB   ASN   6          1HB       ASN   6   3.496  -9.373  -0.484
   45   2HB   ASN   6          2HB       ASN   6   5.042  -8.939   0.210
   46   1HD2  ASN   6          2HD2      ASN   6   1.710  -7.861   1.115
   47   2HD2  ASN   6          1HD2      ASN   6   1.797  -8.457   2.760
   48    H    THR   7           H        THR   7   3.832  -8.407  -2.498
   49    HA   THR   7           HA       THR   7   2.039  -6.879  -4.188
   50    HB   THR   7           HB       THR   7   3.102  -9.596  -4.379
   51    HG1  THR   7           HG1      THR   7   4.662  -7.940  -4.487
   52   1HG2  THR   7          1HG2      THR   7   2.432  -9.207  -6.826
   53   2HG2  THR   7          2HG2      THR   7   1.061  -9.370  -5.708
   54   3HG2  THR   7          3HG2      THR   7   1.562  -7.748  -6.250
   55    H    LEU   8           H        LEU   8   1.761  -9.448  -1.827
   56    HA   LEU   8           HA       LEU   8  -0.947 -10.225  -1.994
   57   1HB   LEU   8          1HB       LEU   8   1.340 -10.617  -0.379
   58   2HB   LEU   8          2HB       LEU   8   0.415  -9.703   0.665
   59    HG   LEU   8           HG       LEU   8  -0.549 -12.331  -0.513
   60   1HD1  LEU   8          1HD1      LEU   8   0.272 -11.518   2.322
   61   2HD1  LEU   8          2HD1      LEU   8  -0.315 -13.117   1.829
   62   3HD1  LEU   8          3HD1      LEU   8   1.234 -12.510   1.218
   63   1HD2  LEU   8          1HD2      LEU   8  -1.895 -10.377   1.424
   64   2HD2  LEU   8          2HD2      LEU   8  -2.485 -10.857  -0.175
   65   3HD2  LEU   8          3HD2      LEU   8  -2.449 -12.039   1.142
   66    H    ALA   9           H        ALA   9   0.797  -7.691  -0.449
   67    HA   ALA   9           HA       ALA   9  -1.557  -6.660   1.033
   68   1HB   ALA   9          1HB       ALA   9   0.432  -6.390   2.168
   69   2HB   ALA   9          2HB       ALA   9   1.213  -5.582   0.782
   70   3HB   ALA   9          3HB       ALA   9  -0.088  -4.760   1.647
   71    H    ARG  10           H        ARG  10   0.289  -5.615  -1.695
   72    HA   ARG  10           HA       ARG  10  -1.145  -3.505  -2.784
   73   1HB   ARG  10          1HB       ARG  10   1.085  -4.188  -3.388
   74   2HB   ARG  10          2HB       ARG  10   0.490  -5.814  -3.691
   75   1HG   ARG  10          1HG       ARG  10   1.198  -4.593  -5.732
   76   2HG   ARG  10          2HG       ARG  10  -0.434  -5.281  -5.762
   77   1HD   ARG  10          1HD       ARG  10  -0.335  -3.018  -6.602
   78   2HD   ARG  10          2HD       ARG  10  -1.418  -3.252  -5.191
   79    HE   ARG  10           HE       ARG  10  -0.298  -1.746  -3.968
   80   1HH1  ARG  10          1HH1      ARG  10   1.861  -2.565  -6.673
   81   2HH1  ARG  10          2HH1      ARG  10   2.982  -1.273  -6.301
   82   1HH2  ARG  10          1HH2      ARG  10   1.129  -0.076  -3.534
   83   2HH2  ARG  10          2HH2      ARG  10   2.566   0.147  -4.506
   84    H    ASN  11           H        ASN  11  -1.711  -6.966  -2.909
   85    HA   ASN  11           HA       ASN  11  -3.932  -6.718  -4.831
   86   1HB   ASN  11          1HB       ASN  11  -3.064  -9.072  -3.117
   87   2HB   ASN  11          2HB       ASN  11  -4.448  -9.098  -4.212
   88   1HD2  ASN  11          2HD2      ASN  11  -2.392 -10.927  -4.533
   89   2HD2  ASN  11          1HD2      ASN  11  -1.537 -10.554  -6.019
   90    H    CYS  12           H        CYS  12  -3.850  -7.374  -1.314
   91    HA   CYS  12           HA       CYS  12  -6.442  -6.919  -0.535
   92   1HB   CYS  12          1HB       CYS  12  -4.805  -7.774   0.980
   93   2HB   CYS  12          2HB       CYS  12  -3.776  -6.364   0.776
   94    H    TYR  13           H        TYR  13  -3.902  -4.564  -1.078
   95    HA   TYR  13           HA       TYR  13  -5.427  -2.266  -0.339
   96   1HB   TYR  13          1HB       TYR  13  -3.031  -2.203  -0.362
   97   2HB   TYR  13          2HB       TYR  13  -2.972  -2.505  -2.092
   98    HD1  TYR  13           HD1      TYR  13  -3.616  -0.729  -3.734
   99    HD2  TYR  13           HD2      TYR  13  -3.436   0.048   0.506
  100    HE1  TYR  13           HE1      TYR  13  -3.522   1.695  -4.189
  101    HE2  TYR  13           HE2      TYR  13  -3.330   2.486   0.058
  102    HH   TYR  13           HH       TYR  13  -3.194   4.135  -1.567
  103    H    ASN  14           H        ASN  14  -4.826  -3.657  -3.549
  104    HA   ASN  14           HA       ASN  14  -6.326  -1.758  -5.099
  105   1HB   ASN  14          1HB       ASN  14  -5.569  -4.658  -5.659
  106   2HB   ASN  14          2HB       ASN  14  -6.265  -3.554  -6.848
  107   1HD2  ASN  14          2HD2      ASN  14  -3.659  -4.977  -6.934
  108   2HD2  ASN  14          1HD2      ASN  14  -2.447  -3.731  -7.109
  109    H    ALA  15           H        ALA  15  -7.017  -4.657  -3.342
  110    HA   ALA  15           HA       ALA  15  -9.784  -4.941  -4.120
  111   1HB   ALA  15          1HB       ALA  15  -8.268  -6.071  -1.726
  112   2HB   ALA  15          2HB       ALA  15  -9.877  -6.561  -2.255
  113   3HB   ALA  15          3HB       ALA  15  -8.466  -6.872  -3.305
  114    H    CYS  16           H        CYS  16  -8.124  -3.349  -1.220
  115    HA   CYS  16           HA       CYS  16 -10.699  -2.813  -0.023
  116   1HB   CYS  16          1HB       CYS  16  -9.007  -2.893   1.514
  117   2HB   CYS  16          2HB       CYS  16  -7.828  -2.097   0.479
  118    H    ARG  17           H        ARG  17  -8.689  -1.377  -2.529
  119    HA   ARG  17           HA       ARG  17 -10.007   1.206  -2.618
  120   1HB   ARG  17          1HB       ARG  17  -8.003  -0.302  -4.346
  121   2HB   ARG  17          2HB       ARG  17  -8.623   1.253  -4.800
  122   1HG   ARG  17          1HG       ARG  17  -7.181   0.929  -2.170
  123   2HG   ARG  17          2HG       ARG  17  -6.338   1.146  -3.697
  124   1HD   ARG  17          1HD       ARG  17  -6.553   3.283  -2.610
  125   2HD   ARG  17          2HD       ARG  17  -7.513   3.265  -4.103
  126    HE   ARG  17           HE       ARG  17  -8.930   2.527  -1.642
  127   1HH1  ARG  17          1HH1      ARG  17  -8.140   5.270  -3.775
  128   2HH1  ARG  17          2HH1      ARG  17  -9.543   6.192  -3.286
  129   1HH2  ARG  17          1HH2      ARG  17 -10.723   3.733  -1.035
  130   2HH2  ARG  17          2HH2      ARG  17 -11.011   5.320  -1.716
  131    H    PHE  18           H        PHE  18 -10.454  -2.037  -3.986
  132    HA   PHE  18           HA       PHE  18 -12.607  -1.347  -5.772
  133   1HB   PHE  18          1HB       PHE  18 -11.293  -3.631  -5.479
  134   2HB   PHE  18          2HB       PHE  18 -12.441  -3.989  -4.249
  135    HD1  PHE  18           HD1      PHE  18 -14.884  -4.203  -4.673
  136    HD2  PHE  18           HD2      PHE  18 -12.012  -3.646  -7.865
  137    HE1  PHE  18           HE1      PHE  18 -16.572  -4.967  -6.326
  138    HE2  PHE  18           HE2      PHE  18 -13.707  -4.411  -9.515
  139    HZ   PHE  18           HZ       PHE  18 -15.990  -5.064  -8.751
  140    H    THR  19           H        THR  19 -12.494  -2.692  -2.403
  141    HA   THR  19           HA       THR  19 -15.215  -2.358  -1.868
  142    HB   THR  19           HB       THR  19 -14.733  -3.037   0.264
  143    HG1  THR  19           HG1      THR  19 -12.772  -2.866   1.278
  144   1HG2  THR  19          1HG2      THR  19 -13.925  -5.062  -0.162
  145   2HG2  THR  19          2HG2      THR  19 -13.647  -4.511  -1.805
  146   3HG2  THR  19          3HG2      THR  19 -12.343  -4.447  -0.597
  147    H    GLY  20           H        GLY  20 -15.880  -1.227   0.304
  148   1HA   GLY  20          1HA       GLY  20 -15.785   1.700  -0.112
  149   2HA   GLY  20          2HA       GLY  20 -16.860   0.780   0.946
  150    H    GLY  21           H        GLY  21 -13.434   0.163   0.792
  151   1HA   GLY  21          1HA       GLY  21 -12.799   1.260   3.460
  152   2HA   GLY  21          2HA       GLY  21 -11.921  -0.005   2.576
  153    H    SER  22           H        SER  22 -11.996   3.271   3.186
  154    HA   SER  22           HA       SER  22 -11.226   4.602   0.901
  155   1HB   SER  22          2HB       SER  22 -10.702   5.169   3.740
  156   2HB   SER  22          1HB       SER  22 -10.639   6.346   2.435
  157    HG   SER  22           HG       SER  22 -12.623   6.432   3.557
  158    H    GLN  23           H        GLN  23  -9.225   5.690   1.105
  159    HA   GLN  23           HA       GLN  23  -7.150   3.849   0.239
  160   1HB   GLN  23          1HB       GLN  23  -7.487   5.947  -0.956
  161   2HB   GLN  23          2HB       GLN  23  -6.824   6.878   0.387
  162   1HG   GLN  23          1HG       GLN  23  -4.670   5.728   0.198
  163   2HG   GLN  23          2HG       GLN  23  -5.330   4.622  -1.011
  164   1HE2  GLN  23          2HE2      GLN  23  -6.182   5.641  -3.092
  165   2HE2  GLN  23          1HE2      GLN  23  -5.302   7.023  -3.711
  166    HA   PRO  24           HA       PRO  24  -5.045   5.153   4.446
  167   1HB   PRO  24          1HB       PRO  24  -7.776   5.726   5.777
  168   2HB   PRO  24          2HB       PRO  24  -6.199   6.262   6.307
  169   1HG   PRO  24          1HG       PRO  24  -7.810   7.947   4.919
  170   2HG   PRO  24          2HG       PRO  24  -6.124   7.810   4.326
  171   1HD   PRO  24          1HD       PRO  24  -8.552   6.210   3.440
  172   2HD   PRO  24          2HD       PRO  24  -7.484   7.173   2.399
  173    H    THR  25           H        THR  25  -8.307   3.962   4.665
  174    HA   THR  25           HA       THR  25  -7.794   1.803   6.463
  175    HB   THR  25           HB       THR  25  -9.805   2.167   4.369
  176    HG1  THR  25           HG1      THR  25 -11.163   2.459   6.179
  177   1HG2  THR  25          1HG2      THR  25 -11.039   0.169   5.462
  178   2HG2  THR  25          2HG2      THR  25  -9.570  -0.296   4.600
  179   3HG2  THR  25          3HG2      THR  25  -9.532  -0.130   6.360
  180    H    CYS  26           H        CYS  26  -7.336   1.951   3.019
  181    HA   CYS  26           HA       CYS  26  -6.611  -0.853   2.745
  182   1HB   CYS  26          1HB       CYS  26  -5.781   1.386   0.846
  183   2HB   CYS  26          2HB       CYS  26  -5.933  -0.336   0.518
  184    H    GLY  27           H        GLY  27  -4.686   2.098   2.840
  185   1HA   GLY  27          1HA       GLY  27  -2.199   0.782   3.117
  186   2HA   GLY  27          2HA       GLY  27  -2.507   2.468   3.577
  187    H    ILE  28           H        ILE  28  -4.695   1.245   5.502
  188    HA   ILE  28           HA       ILE  28  -2.848   0.553   7.639
  189    HB   ILE  28           HB       ILE  28  -5.864   0.827   7.547
  190   1HG1  ILE  28          1HG1      ILE  28  -3.899   2.527   9.194
  191   2HG1  ILE  28          2HG1      ILE  28  -4.151   2.916   7.498
  192   1HG2  ILE  28          1HG2      ILE  28  -4.118   0.075   9.869
  193   2HG2  ILE  28          2HG2      ILE  28  -5.778   0.717  10.058
  194   3HG2  ILE  28          3HG2      ILE  28  -5.520  -0.798   9.204
  195   1HD1  ILE  28          1HD1      ILE  28  -6.337   2.818   9.603
  196   2HD1  ILE  28          2HD1      ILE  28  -5.633   4.270   8.846
  197   3HD1  ILE  28          3HD1      ILE  28  -6.583   3.131   7.873
  198    H    LEU  29           H        LEU  29  -5.622  -0.987   6.148
  199    HA   LEU  29           HA       LEU  29  -5.474  -3.214   7.960
  200   1HB   LEU  29          1HB       LEU  29  -6.965  -3.027   5.306
  201   2HB   LEU  29          2HB       LEU  29  -7.118  -4.385   6.427
  202    HG   LEU  29           HG       LEU  29  -7.788  -1.525   7.052
  203   1HD1  LEU  29          1HD1      LEU  29  -9.348  -2.571   5.392
  204   2HD1  LEU  29          2HD1      LEU  29  -9.591  -3.946   6.482
  205   3HD1  LEU  29          3HD1      LEU  29 -10.187  -2.341   6.938
  206   1HD2  LEU  29          1HD2      LEU  29  -8.227  -4.061   8.695
  207   2HD2  LEU  29          2HD2      LEU  29  -7.237  -2.654   9.150
  208   3HD2  LEU  29          3HD2      LEU  29  -8.991  -2.500   9.060
  209    H    CYS  30           H        CYS  30  -4.597  -2.526   4.720
  210    HA   CYS  30           HA       CYS  30  -3.190  -5.087   4.226
  211   1HB   CYS  30          1HB       CYS  30  -3.150  -2.648   2.423
  212   2HB   CYS  30          2HB       CYS  30  -2.800  -4.306   2.046
  213    H    ASP  31           H        ASP  31  -2.359  -2.216   5.904
  214    HA   ASP  31           HA       ASP  31  -0.400  -1.279   6.518
  215   1HB   ASP  31          1HB       ASP  31   0.768  -4.015   5.938
  216   2HB   ASP  31          2HB       ASP  31   1.482  -2.767   6.955
  217    HD2  ASP  31           HD2      ASP  31  -0.722  -3.298   9.655
  218    H    CYS  32           H        CYS  32  -1.077  -0.535   4.061
  219    HA   CYS  32           HA       CYS  32   1.553  -0.301   2.551
  220   1HB   CYS  32          1HB       CYS  32  -1.119   0.564   1.420
  221   2HB   CYS  32          2HB       CYS  32   0.419   0.496   0.640
  222    H    ILE  33           H        ILE  33   2.034   2.049   1.702
  223    HA   ILE  33           HA       ILE  33   1.443   3.980   3.915
  224    HB   ILE  33           HB       ILE  33   3.902   4.503   3.848
  225   1HG1  ILE  33          1HG1      ILE  33   4.224   1.854   2.394
  226   2HG1  ILE  33          2HG1      ILE  33   4.226   3.397   1.531
  227   1HG2  ILE  33          1HG2      ILE  33   3.216   1.678   4.699
  228   2HG2  ILE  33          2HG2      ILE  33   4.574   2.664   5.282
  229   3HG2  ILE  33          3HG2      ILE  33   2.913   3.152   5.625
  230   1HD1  ILE  33          1HD1      ILE  33   6.192   2.612   3.725
  231   2HD1  ILE  33          2HD1      ILE  33   6.494   2.626   1.984
  232   3HD1  ILE  33          3HD1      ILE  33   6.161   4.150   2.841
  233    H    HIS  34           H        HIS  34   3.004   6.010   3.057
  234    HA   HIS  34           HA       HIS  34   2.588   6.405   0.219
  235   1HB   HIS  34          1HB       HIS  34   0.642   7.569   1.321
  236   2HB   HIS  34          2HB       HIS  34   1.781   8.519   2.278
  237    HD1  HIS  34           HD1      HIS  34   3.597   9.953   0.619
  238    HD2  HIS  34           HD2      HIS  34  -0.120   8.735  -0.974
  239    HE1  HIS  34           HE1      HIS  34   3.155  11.380  -1.456
  240    HE2  HIS  34           HE2      HIS  34   0.895  10.660  -2.427
  241    H    VAL  35           H        VAL  35   4.443   6.733  -0.626
  242    HA   VAL  35           HA       VAL  35   6.612   7.906   1.038
  243    HB   VAL  35           HB       VAL  35   8.154   7.131  -0.476
  244   1HG1  VAL  35          1HG1      VAL  35   6.701   4.768   0.521
  245   2HG1  VAL  35          2HG1      VAL  35   8.434   4.972   0.174
  246   3HG1  VAL  35          3HG1      VAL  35   7.721   5.896   1.502
  247   1HG2  VAL  35          1HG2      VAL  35   7.111   6.738  -2.590
  248   2HG2  VAL  35          2HG2      VAL  35   7.879   5.257  -2.007
  249   3HG2  VAL  35          3HG2      VAL  35   6.123   5.419  -1.860
  250    H    THR  36           H        THR  36   7.661   9.525   0.391
  251    HA   THR  36           HA       THR  36   7.425  10.568  -2.356
  252    HB   THR  36           HB       THR  36   8.114  12.797  -1.613
  253    HG1  THR  36           HG1      THR  36   7.668  11.816   1.013
  254   1HG2  THR  36          1HG2      THR  36   5.931  13.493  -0.722
  255   2HG2  THR  36          2HG2      THR  36   5.699  12.203  -1.918
  256   3HG2  THR  36          3HG2      THR  36   5.578  11.845  -0.190
  257    H    THR  37           H        THR  37   8.597   8.320  -1.749
  258    HA   THR  37           HA       THR  37  11.342   8.553  -1.110
  259    HB   THR  37           HB       THR  37  10.071   6.131  -1.890
  260    HG1  THR  37           HG1      THR  37  10.298   5.795   0.440
  261   1HG2  THR  37          1HG2      THR  37  12.820   6.687  -0.749
  262   2HG2  THR  37          2HG2      THR  37  12.027   5.115  -0.589
  263   3HG2  THR  37          3HG2      THR  37  12.411   5.709  -2.180
  264    H    THR  38           H        THR  38  12.502   7.408  -2.804
  265    HA   THR  38           HA       THR  38  12.515   8.514  -5.545
  266    HB   THR  38           HB       THR  38  14.175   6.332  -4.496
  267    HG1  THR  38           HG1      THR  38  14.709   9.103  -4.679
  268   1HG2  THR  38          1HG2      THR  38  14.154   6.411  -6.979
  269   2HG2  THR  38          2HG2      THR  38  14.545   8.140  -6.929
  270   3HG2  THR  38          3HG2      THR  38  15.719   6.939  -6.361
  271    H    THR  39           H        THR  39  11.815   5.313  -3.983
  272    HA   THR  39           HA       THR  39  10.071   4.287  -6.012
  273    HB   THR  39           HB       THR  39  12.346   2.730  -5.084
  274    HG1  THR  39           HG1      THR  39  13.474   4.480  -5.932
  275   1HG2  THR  39          1HG2      THR  39  12.192   1.703  -7.364
  276   2HG2  THR  39          2HG2      THR  39  10.685   1.584  -6.451
  277   3HG2  THR  39          3HG2      THR  39  10.850   2.828  -7.714
  278    H    CYS  40           H        CYS  40   9.547   2.169  -5.144
  279    HA   CYS  40           HA       CYS  40   8.397   2.116  -2.592
  280   1HB   CYS  40          1HB       CYS  40   9.092   0.081  -4.734
  281   2HB   CYS  40          2HB       CYS  40   8.717  -0.561  -3.148
  282    HA   PRO  41           HA       PRO  41  12.308   1.631  -0.318
  283   1HB   PRO  41          1HB       PRO  41  11.353   1.777   2.222
  284   2HB   PRO  41          2HB       PRO  41  11.339   3.159   1.099
  285   1HG   PRO  41          1HG       PRO  41   9.069   1.227   1.642
  286   2HG   PRO  41          2HG       PRO  41   9.030   3.013   1.718
  287   1HD   PRO  41          1HD       PRO  41   8.203   1.745  -0.515
  288   2HD   PRO  41          2HD       PRO  41   9.212   3.205  -0.652
  289    H    SER  42           H        SER  42  13.126   0.410   1.486
  290    HA   SER  42           HA       SER  42  13.101  -2.433   1.199
  291   1HB   SER  42          1HB       SER  42  13.943  -0.582   3.469
  292   2HB   SER  42          2HB       SER  42  14.301  -2.322   3.393
  293    HG   SER  42           HG       SER  42  16.034  -1.047   2.611
  294    H    SER  43           H        SER  43  11.225  -0.085   3.206
  295    HA   SER  43           HA       SER  43  10.337  -2.005   5.155
  296   1HB   SER  43          2HB       SER  43   9.565   0.754   4.459
  297   2HB   SER  43          1HB       SER  43   8.947  -0.108   5.855
  298    HG   SER  43           HG       SER  43  10.731   1.232   6.382
  299    H    HIS  44           H        HIS  44   9.358  -0.897   2.071
  300    HA   HIS  44           HA       HIS  44   6.876  -2.572   2.079
  301   1HB   HIS  44          1HB       HIS  44   6.915   0.387   1.488
  302   2HB   HIS  44          2HB       HIS  44   5.633  -0.714   0.993
  303    HD1  HIS  44           HD1      HIS  44   7.325   0.500   4.236
  304    HD2  HIS  44           HD2      HIS  44   3.799  -1.342   2.865
  305    HE1  HIS  44           HE1      HIS  44   5.784   0.229   6.254
  306    HE2  HIS  44           HE2      HIS  44   3.629  -0.897   5.431
  307    HA   PRO  45           HA       PRO  45   9.527  -2.861  -1.729
  308   1HB   PRO  45          1HB       PRO  45   9.170  -5.539  -2.347
  309   2HB   PRO  45          2HB       PRO  45  10.340  -4.899  -1.172
  310   1HG   PRO  45          1HG       PRO  45   7.540  -5.928  -0.608
  311   2HG   PRO  45          2HG       PRO  45   9.063  -6.408   0.197
  312   1HD   PRO  45          1HD       PRO  45   7.527  -4.592   1.349
  313   2HD   PRO  45          2HD       PRO  45   9.253  -4.251   1.264
  314    H    SER  46           H        SER  46   5.974  -3.816  -1.648
  315    HA   SER  46           HA       SER  46   6.031  -4.381  -4.514
  316   1HB   SER  46          1HB       SER  46   4.746  -5.860  -3.240
  317   2HB   SER  46          2HB       SER  46   3.972  -4.618  -2.302
  318    HG   SER  46           HG       SER  46   3.723  -5.151  -5.098
  319    HXT  SER  46           HO        OH  47   5.000  -1.313  -5.695
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1   1.260   8.554  -4.212
    2   2H    LYS   1          2H        LYS   1   2.579   9.251  -3.510
    3   3H    LYS   1          3H        LYS   1   2.453   9.195  -5.158
    4    HA   LYS   1           HA       LYS   1   2.558   6.871  -5.164
    5   1HB   LYS   1          1HB       LYS   1   4.701   8.604  -4.809
    6   2HB   LYS   1          2HB       LYS   1   4.999   7.411  -3.564
    7   1HG   LYS   1          1HG       LYS   1   4.648   6.855  -6.526
    8   2HG   LYS   1          2HG       LYS   1   6.159   6.890  -5.613
    9   1HD   LYS   1          1HD       LYS   1   5.196   4.987  -4.166
   10   2HD   LYS   1          2HD       LYS   1   3.889   4.875  -5.341
   11   1HE   LYS   1          1HE       LYS   1   5.463   3.263  -6.066
   12   2HE   LYS   1          2HE       LYS   1   5.688   4.620  -7.164
   13   1HZ   LYS   1          1HZ       LYS   1   7.749   3.734  -6.376
   14   2HZ   LYS   1          2HZ       LYS   1   7.575   5.286  -5.859
   15   3HZ   LYS   1          3HZ       LYS   1   7.344   4.037  -4.810
   16    H    SER   2           H        SER   2   2.209   4.966  -4.135
   17    HA   SER   2           HA       SER   2   2.148   4.724  -1.165
   18   1HB   SER   2          1HB       SER   2  -0.060   3.670  -1.284
   19   2HB   SER   2          2HB       SER   2  -0.142   5.350  -1.832
   20    HG   SER   2           HG       SER   2  -0.080   4.538  -3.978
   21    H    CYS   3           H        CYS   3   3.055   2.917  -0.501
   22    HA   CYS   3           HA       CYS   3   3.693   0.774  -2.469
   23   1HB   CYS   3          1HB       CYS   3   5.430   2.176  -0.425
   24   2HB   CYS   3          2HB       CYS   3   5.898   0.724  -1.316
   25    H    CYS   4           H        CYS   4   3.573  -1.375  -1.669
   26    HA   CYS   4           HA       CYS   4   2.398  -1.762   1.009
   27   1HB   CYS   4          1HB       CYS   4   2.130  -3.108  -1.688
   28   2HB   CYS   4          2HB       CYS   4   1.486  -3.773  -0.225
   29    H    ARG   5           H        ARG   5   2.927  -3.492   2.238
   30    HA   ARG   5           HA       ARG   5   5.650  -4.068   1.896
   31   1HB   ARG   5          1HB       ARG   5   5.747  -5.073   3.997
   32   2HB   ARG   5          2HB       ARG   5   4.956  -3.495   4.004
   33   1HG   ARG   5          1HG       ARG   5   2.710  -4.692   4.094
   34   2HG   ARG   5          2HG       ARG   5   3.616  -6.216   4.264
   35   1HD   ARG   5          1HD       ARG   5   4.903  -5.127   6.173
   36   2HD   ARG   5          2HD       ARG   5   3.835  -3.722   6.026
   37    HE   ARG   5           HE       ARG   5   2.166  -5.968   6.293
   38   1HH1  ARG   5          1HH1      ARG   5   4.575  -4.306   8.319
   39   2HH1  ARG   5          2HH1      ARG   5   3.838  -4.827   9.819
   40   1HH2  ARG   5          1HH2      ARG   5   1.231  -6.628   8.281
   41   2HH2  ARG   5          2HH2      ARG   5   1.957  -6.143   9.799
   42    H    ASN   6           H        ASN   6   3.165  -5.557   0.441
   43    HA   ASN   6           HA       ASN   6   4.883  -6.954  -0.887
   44   1HB   ASN   6          1HB       ASN   6   3.674  -9.395  -0.492
   45   2HB   ASN   6          2HB       ASN   6   5.189  -8.919   0.258
   46   1HD2  ASN   6          2HD2      ASN   6   1.828  -7.931   1.156
   47   2HD2  ASN   6          1HD2      ASN   6   1.909  -8.592   2.774
   48    H    THR   7           H        THR   7   3.926  -8.373  -2.457
   49    HA   THR   7           HA       THR   7   2.098  -6.830  -4.090
   50    HB   THR   7           HB       THR   7   3.235  -9.511  -4.375
   51    HG1  THR   7           HG1      THR   7   3.884  -6.990  -5.484
   52   1HG2  THR   7          1HG2      THR   7   1.182  -9.368  -5.671
   53   2HG2  THR   7          2HG2      THR   7   1.578  -7.706  -6.177
   54   3HG2  THR   7          3HG2      THR   7   2.522  -9.084  -6.808
   55    H    LEU   8           H        LEU   8   1.871  -9.445  -1.790
   56    HA   LEU   8           HA       LEU   8  -0.829 -10.277  -1.978
   57   1HB   LEU   8          1HB       LEU   8   1.471 -10.679  -0.391
   58   2HB   LEU   8          2HB       LEU   8   0.539  -9.804   0.688
   59    HG   LEU   8           HG       LEU   8  -0.391 -12.425  -0.540
   60   1HD1  LEU   8          1HD1      LEU   8   1.397 -12.619   1.173
   61   2HD1  LEU   8          2HD1      LEU   8   0.432 -11.645   2.304
   62   3HD1  LEU   8          3HD1      LEU   8  -0.148 -13.244   1.788
   63   1HD2  LEU   8          1HD2      LEU   8  -2.285 -12.195   1.119
   64   2HD2  LEU   8          2HD2      LEU   8  -1.756 -10.536   1.452
   65   3HD2  LEU   8          3HD2      LEU   8  -2.345 -10.979  -0.165
   66    H    ALA   9           H        ALA   9   0.881  -7.762  -0.372
   67    HA   ALA   9           HA       ALA   9  -1.483  -6.811   1.150
   68   1HB   ALA   9          1HB       ALA   9  -0.049  -4.898   1.809
   69   2HB   ALA   9          2HB       ALA   9   0.516  -6.532   2.262
   70   3HB   ALA   9          3HB       ALA   9   1.261  -5.662   0.892
   71    H    ARG  10           H        ARG  10   0.343  -5.680  -1.552
   72    HA   ARG  10           HA       ARG  10  -1.085  -3.550  -2.596
   73   1HB   ARG  10          1HB       ARG  10   1.148  -4.292  -3.200
   74   2HB   ARG  10          2HB       ARG  10   0.479  -5.860  -3.611
   75   1HG   ARG  10          1HG       ARG  10   1.200  -4.516  -5.581
   76   2HG   ARG  10          2HG       ARG  10  -0.454  -5.146  -5.620
   77   1HD   ARG  10          1HD       ARG  10  -0.295  -2.857  -6.308
   78   2HD   ARG  10          2HD       ARG  10  -1.345  -3.108  -4.868
   79    HE   ARG  10           HE       ARG  10   1.140  -2.339  -3.873
   80   1HH1  ARG  10          1HH1      ARG  10  -1.525  -0.835  -5.683
   81   2HH1  ARG  10          2HH1      ARG  10  -1.209   0.749  -5.018
   82   1HH2  ARG  10          1HH2      ARG  10   1.554  -0.289  -3.070
   83   2HH2  ARG  10          2HH2      ARG  10   0.557   1.064  -3.547
   84    H    ASN  11           H        ASN  11  -1.623  -7.003  -2.821
   85    HA   ASN  11           HA       ASN  11  -3.850  -6.752  -4.728
   86   1HB   ASN  11          1HB       ASN  11  -2.970  -9.128  -3.057
   87   2HB   ASN  11          2HB       ASN  11  -4.356  -9.142  -4.149
   88   1HD2  ASN  11          2HD2      ASN  11  -2.301 -10.962  -4.504
   89   2HD2  ASN  11          1HD2      ASN  11  -1.448 -10.569  -5.983
   90    H    CYS  12           H        CYS  12  -3.749  -7.407  -1.206
   91    HA   CYS  12           HA       CYS  12  -6.371  -6.989  -0.466
   92   1HB   CYS  12          1HB       CYS  12  -4.774  -7.869   1.075
   93   2HB   CYS  12          2HB       CYS  12  -3.735  -6.464   0.923
   94    H    TYR  13           H        TYR  13  -3.858  -4.607  -0.930
   95    HA   TYR  13           HA       TYR  13  -5.447  -2.316  -0.223
   96   1HB   TYR  13          1HB       TYR  13  -3.035  -2.258  -0.130
   97   2HB   TYR  13          2HB       TYR  13  -2.901  -2.589  -1.852
   98    HD1  TYR  13           HD1      TYR  13  -3.346   0.019   0.653
   99    HD2  TYR  13           HD2      TYR  13  -3.506  -0.854  -3.569
  100    HE1  TYR  13           HE1      TYR  13  -3.315   2.447   0.152
  101    HE2  TYR  13           HE2      TYR  13  -3.485   1.564  -4.076
  102    HH   TYR  13           HH       TYR  13  -3.389   3.718  -3.206
  103    H    ASN  14           H        ASN  14  -4.743  -3.715  -3.380
  104    HA   ASN  14           HA       ASN  14  -6.216  -1.806  -4.970
  105   1HB   ASN  14          1HB       ASN  14  -5.338  -4.674  -5.542
  106   2HB   ASN  14          2HB       ASN  14  -6.069  -3.592  -6.727
  107   1HD2  ASN  14          2HD2      ASN  14  -3.457  -4.877  -6.919
  108   2HD2  ASN  14          1HD2      ASN  14  -2.284  -3.586  -7.049
  109    H    ALA  15           H        ALA  15  -6.876  -4.692  -3.175
  110    HA   ALA  15           HA       ALA  15  -9.608  -5.059  -4.003
  111   1HB   ALA  15          1HB       ALA  15  -8.202  -6.098  -1.524
  112   2HB   ALA  15          2HB       ALA  15  -9.793  -6.573  -2.110
  113   3HB   ALA  15          3HB       ALA  15  -8.350  -6.938  -3.083
  114    H    CYS  16           H        CYS  16  -8.042  -3.396  -1.042
  115    HA   CYS  16           HA       CYS  16 -10.657  -2.775   0.003
  116   1HB   CYS  16          1HB       CYS  16  -9.054  -2.911   1.626
  117   2HB   CYS  16          2HB       CYS  16  -7.798  -2.150   0.669
  118    H    ARG  17           H        ARG  17  -8.661  -1.428  -2.521
  119    HA   ARG  17           HA       ARG  17 -10.114   1.111  -2.671
  120   1HB   ARG  17          1HB       ARG  17  -7.895  -0.229  -4.249
  121   2HB   ARG  17          2HB       ARG  17  -8.565   1.320  -4.667
  122   1HG   ARG  17          1HG       ARG  17  -7.271   0.914  -1.982
  123   2HG   ARG  17          2HG       ARG  17  -6.371   1.301  -3.439
  124   1HD   ARG  17          1HD       ARG  17  -6.788   3.332  -2.245
  125   2HD   ARG  17          2HD       ARG  17  -7.652   3.349  -3.786
  126    HE   ARG  17           HE       ARG  17  -9.172   2.405  -1.453
  127   1HH1  ARG  17          1HH1      ARG  17  -8.532   5.227  -3.548
  128   2HH1  ARG  17          2HH1      ARG  17 -10.007   6.028  -3.066
  129   1HH2  ARG  17          1HH2      ARG  17 -11.015   3.521  -0.807
  130   2HH2  ARG  17          2HH2      ARG  17 -11.405   5.075  -1.511
  131    H    PHE  18           H        PHE  18 -10.316  -2.188  -3.944
  132    HA   PHE  18           HA       PHE  18 -12.298  -1.674  -5.977
  133   1HB   PHE  18          1HB       PHE  18 -11.020  -3.933  -5.399
  134   2HB   PHE  18          2HB       PHE  18 -12.265  -4.175  -4.237
  135    HD1  PHE  18           HD1      PHE  18 -14.632  -4.466  -4.785
  136    HD2  PHE  18           HD2      PHE  18 -11.593  -4.117  -7.839
  137    HE1  PHE  18           HE1      PHE  18 -16.209  -5.396  -6.458
  138    HE2  PHE  18           HE2      PHE  18 -13.169  -5.058  -9.516
  139    HZ   PHE  18           HZ       PHE  18 -15.486  -5.694  -8.830
  140    H    THR  19           H        THR  19 -12.457  -2.801  -2.521
  141    HA   THR  19           HA       THR  19 -15.173  -2.254  -2.054
  142    HB   THR  19           HB       THR  19 -14.720  -2.679   0.128
  143    HG1  THR  19           HG1      THR  19 -12.729  -2.521   1.103
  144   1HG2  THR  19          1HG2      THR  19 -13.709  -4.762   0.108
  145   2HG2  THR  19          2HG2      THR  19 -14.059  -4.524  -1.617
  146   3HG2  THR  19          3HG2      THR  19 -12.437  -4.272  -0.979
  147    H    GLY  20           H        GLY  20 -12.527  -0.031  -2.294
  148   1HA   GLY  20          1HA       GLY  20 -12.511   2.214  -2.397
  149   2HA   GLY  20          2HA       GLY  20 -14.280   2.219  -2.453
  150    H    GLY  21           H        GLY  21 -13.089   0.467   0.258
  151   1HA   GLY  21          1HA       GLY  21 -14.034   1.600   2.403
  152   2HA   GLY  21          2HA       GLY  21 -12.360   1.020   2.392
  153    H    SER  22           H        SER  22 -10.560   2.675   2.458
  154    HA   SER  22           HA       SER  22 -10.866   5.050   1.134
  155   1HB   SER  22          2HB       SER  22 -10.313   4.979   4.046
  156   2HB   SER  22          1HB       SER  22  -9.947   6.257   2.941
  157    HG   SER  22           HG       SER  22 -12.554   5.392   3.519
  158    H    GLN  23           H        GLN  23  -8.632   6.049   1.284
  159    HA   GLN  23           HA       GLN  23  -6.723   4.110   0.331
  160   1HB   GLN  23          1HB       GLN  23  -6.239   7.077   0.811
  161   2HB   GLN  23          2HB       GLN  23  -5.195   5.945  -0.038
  162   1HG   GLN  23          1HG       GLN  23  -6.978   5.540  -1.706
  163   2HG   GLN  23          2HG       GLN  23  -8.036   6.691  -0.882
  164   1HE2  GLN  23          2HE2      GLN  23  -7.049   8.973  -0.586
  165   2HE2  GLN  23          1HE2      GLN  23  -6.130   9.607  -1.938
  166    HA   PRO  24           HA       PRO  24  -4.585   5.066   4.624
  167   1HB   PRO  24          1HB       PRO  24  -7.213   5.767   6.071
  168   2HB   PRO  24          2HB       PRO  24  -5.596   6.240   6.494
  169   1HG   PRO  24          1HG       PRO  24  -7.231   7.990   5.219
  170   2HG   PRO  24          2HG       PRO  24  -5.598   7.802   4.507
  171   1HD   PRO  24          1HD       PRO  24  -8.079   6.177   3.862
  172   2HD   PRO  24          2HD       PRO  24  -7.216   7.198   2.709
  173    H    THR  25           H        THR  25  -7.910   4.133   4.812
  174    HA   THR  25           HA       THR  25  -7.651   1.908   6.573
  175    HB   THR  25           HB       THR  25  -9.559   2.503   4.437
  176    HG1  THR  25           HG1      THR  25  -9.832   2.274   7.228
  177   1HG2  THR  25          1HG2      THR  25 -10.945   0.487   5.255
  178   2HG2  THR  25          2HG2      THR  25  -9.463   0.007   4.452
  179   3HG2  THR  25          3HG2      THR  25  -9.517   0.013   6.210
  180    H    CYS  26           H        CYS  26  -7.128   2.030   3.127
  181    HA   CYS  26           HA       CYS  26  -6.572  -0.835   2.892
  182   1HB   CYS  26          1HB       CYS  26  -5.725   1.357   0.950
  183   2HB   CYS  26          2HB       CYS  26  -5.879  -0.372   0.642
  184    H    GLY  27           H        GLY  27  -4.540   2.036   2.966
  185   1HA   GLY  27          1HA       GLY  27  -2.108   0.623   3.258
  186   2HA   GLY  27          2HA       GLY  27  -2.342   2.323   3.693
  187    H    ILE  28           H        ILE  28  -4.592   1.106   5.618
  188    HA   ILE  28           HA       ILE  28  -2.762   0.403   7.787
  189    HB   ILE  28           HB       ILE  28  -5.766   0.820   7.665
  190   1HG1  ILE  28          1HG1      ILE  28  -3.741   2.399   9.354
  191   2HG1  ILE  28          2HG1      ILE  28  -3.921   2.815   7.655
  192   1HG2  ILE  28          1HG2      ILE  28  -5.526  -0.811   9.331
  193   2HG2  ILE  28          2HG2      ILE  28  -4.097  -0.010  10.016
  194   3HG2  ILE  28          3HG2      ILE  28  -5.722   0.713  10.171
  195   1HD1  ILE  28          1HD1      ILE  28  -6.160   2.855   9.710
  196   2HD1  ILE  28          2HD1      ILE  28  -5.342   4.253   8.974
  197   3HD1  ILE  28          3HD1      ILE  28  -6.349   3.185   7.977
  198    H    LEU  29           H        LEU  29  -5.601  -0.989   6.287
  199    HA   LEU  29           HA       LEU  29  -5.588  -3.253   8.038
  200   1HB   LEU  29          1HB       LEU  29  -6.985  -2.951   5.341
  201   2HB   LEU  29          2HB       LEU  29  -7.219  -4.323   6.422
  202    HG   LEU  29           HG       LEU  29  -7.807  -1.452   7.102
  203   1HD1  LEU  29          1HD1      LEU  29  -9.335  -2.377   5.351
  204   2HD1  LEU  29          2HD1      LEU  29  -9.696  -3.763   6.395
  205   3HD1  LEU  29          3HD1      LEU  29 -10.213  -2.137   6.875
  206   1HD2  LEU  29          1HD2      LEU  29  -7.365  -2.671   9.175
  207   2HD2  LEU  29          2HD2      LEU  29  -9.100  -2.418   9.040
  208   3HD2  LEU  29          3HD2      LEU  29  -8.412  -4.008   8.648
  209    H    CYS  30           H        CYS  30  -4.600  -2.551   4.830
  210    HA   CYS  30           HA       CYS  30  -3.211  -5.149   4.394
  211   1HB   CYS  30          1HB       CYS  30  -3.162  -2.767   2.528
  212   2HB   CYS  30          2HB       CYS  30  -2.830  -4.440   2.189
  213    H    ASP  31           H        ASP  31  -2.360  -2.277   6.040
  214    HA   ASP  31           HA       ASP  31  -0.390  -1.397   6.692
  215   1HB   ASP  31          1HB       ASP  31   0.750  -4.131   6.045
  216   2HB   ASP  31          2HB       ASP  31   1.456  -2.920   7.110
  217    HD2  ASP  31           HD2      ASP  31   0.119  -2.255   8.926
  218    H    CYS  32           H        CYS  32  -1.034  -0.633   4.195
  219    HA   CYS  32           HA       CYS  32   1.634  -0.398   2.740
  220   1HB   CYS  32          1HB       CYS  32  -0.979   0.566   1.567
  221   2HB   CYS  32          2HB       CYS  32   0.567   0.399   0.824
  222    H    ILE  33           H        ILE  33   2.051   1.973   1.835
  223    HA   ILE  33           HA       ILE  33   1.472   3.930   4.025
  224    HB   ILE  33           HB       ILE  33   3.921   4.518   3.896
  225   1HG1  ILE  33          1HG1      ILE  33   4.257   1.831   2.512
  226   2HG1  ILE  33          2HG1      ILE  33   4.250   3.358   1.618
  227   1HG2  ILE  33          1HG2      ILE  33   4.655   2.751   5.380
  228   2HG2  ILE  33          2HG2      ILE  33   2.977   3.176   5.725
  229   3HG2  ILE  33          3HG2      ILE  33   3.341   1.693   4.833
  230   1HD1  ILE  33          1HD1      ILE  33   6.195   4.125   2.940
  231   2HD1  ILE  33          2HD1      ILE  33   6.226   2.575   3.792
  232   3HD1  ILE  33          3HD1      ILE  33   6.515   2.626   2.046
  233    H    HIS  34           H        HIS  34   2.955   5.983   3.086
  234    HA   HIS  34           HA       HIS  34   2.425   6.321   0.260
  235   1HB   HIS  34          1HB       HIS  34   0.505   7.457   1.401
  236   2HB   HIS  34          2HB       HIS  34   1.640   8.432   2.338
  237    HD1  HIS  34           HD1      HIS  34   3.389   9.918   0.688
  238    HD2  HIS  34           HD2      HIS  34  -0.304   8.620  -0.894
  239    HE1  HIS  34           HE1      HIS  34   2.915  11.328  -1.393
  240    HE2  HIS  34           HE2      HIS  34   0.659  10.568  -2.344
  241    H    VAL  35           H        VAL  35   4.288   6.721  -0.640
  242    HA   VAL  35           HA       VAL  35   6.468   7.943   0.994
  243    HB   VAL  35           HB       VAL  35   8.007   7.141  -0.507
  244   1HG1  VAL  35          1HG1      VAL  35   7.648   5.971   1.482
  245   2HG1  VAL  35          2HG1      VAL  35   6.501   4.877   0.616
  246   3HG1  VAL  35          3HG1      VAL  35   8.225   4.941   0.168
  247   1HG2  VAL  35          1HG2      VAL  35   7.683   5.230  -2.016
  248   2HG2  VAL  35          2HG2      VAL  35   5.927   5.460  -1.874
  249   3HG2  VAL  35          3HG2      VAL  35   6.971   6.723  -2.623
  250    H    THR  36           H        THR  36   7.543   9.548   0.293
  251    HA   THR  36           HA       THR  36   7.255  10.483  -2.493
  252    HB   THR  36           HB       THR  36   7.951  12.735  -1.865
  253    HG1  THR  36           HG1      THR  36   7.590  11.862   0.813
  254   1HG2  THR  36          1HG2      THR  36   5.523  12.124  -2.064
  255   2HG2  THR  36          2HG2      THR  36   5.459  11.851  -0.318
  256   3HG2  THR  36          3HG2      THR  36   5.798  13.475  -0.939
  257    H    THR  37           H        THR  37   8.434   8.261  -1.832
  258    HA   THR  37           HA       THR  37  11.195   8.482  -1.278
  259    HB   THR  37           HB       THR  37   9.883   6.066  -2.032
  260    HG1  THR  37           HG1      THR  37  10.129   5.729   0.289
  261   1HG2  THR  37          1HG2      THR  37  11.841   5.044  -0.746
  262   2HG2  THR  37          2HG2      THR  37  12.205   5.608  -2.351
  263   3HG2  THR  37          3HG2      THR  37  12.653   6.605  -0.946
  264    H    THR  38           H        THR  38  12.302   7.312  -2.992
  265    HA   THR  38           HA       THR  38  12.262   8.388  -5.739
  266    HB   THR  38           HB       THR  38  13.936   6.219  -4.678
  267    HG1  THR  38           HG1      THR  38  15.501   7.881  -4.486
  268   1HG2  THR  38          1HG2      THR  38  14.293   7.980  -7.148
  269   2HG2  THR  38          2HG2      THR  38  15.468   6.787  -6.568
  270   3HG2  THR  38          3HG2      THR  38  13.888   6.258  -7.167
  271    H    THR  39           H        THR  39  11.574   5.192  -4.140
  272    HA   THR  39           HA       THR  39   9.859   4.118  -6.172
  273    HB   THR  39           HB       THR  39  12.118   2.588  -5.198
  274    HG1  THR  39           HG1      THR  39  13.262   4.349  -6.027
  275   1HG2  THR  39          1HG2      THR  39  11.997   1.534  -7.470
  276   2HG2  THR  39          2HG2      THR  39  10.463   1.458  -6.588
  277   3HG2  THR  39          3HG2      THR  39  10.689   2.680  -7.866
  278    H    CYS  40           H        CYS  40   9.313   2.011  -5.248
  279    HA   CYS  40           HA       CYS  40   8.343   2.325  -2.608
  280   1HB   CYS  40          1HB       CYS  40   8.217  -0.039  -4.500
  281   2HB   CYS  40          2HB       CYS  40   7.570  -0.124  -2.871
  282    HA   PRO  41           HA       PRO  41  12.157   1.418  -0.657
  283   1HB   PRO  41          1HB       PRO  41  11.431   1.717   1.951
  284   2HB   PRO  41          2HB       PRO  41  11.378   3.058   0.788
  285   1HG   PRO  41          1HG       PRO  41   9.077   1.244   1.580
  286   2HG   PRO  41          2HG       PRO  41   9.113   3.036   1.591
  287   1HD   PRO  41          1HD       PRO  41   8.080   1.780  -0.550
  288   2HD   PRO  41          2HD       PRO  41   9.167   3.178  -0.747
  289    H    SER  42           H        SER  42  13.120   0.184   1.043
  290    HA   SER  42           HA       SER  42  12.853  -2.646   0.934
  291   1HB   SER  42          1HB       SER  42  14.059  -0.774   3.008
  292   2HB   SER  42          2HB       SER  42  14.295  -2.538   2.966
  293    HG   SER  42           HG       SER  42  15.235  -2.262   0.881
  294    H    SER  43           H        SER  43  11.305  -0.105   2.989
  295    HA   SER  43           HA       SER  43  10.444  -1.840   5.088
  296   1HB   SER  43          2HB       SER  43   9.671   0.859   4.201
  297   2HB   SER  43          1HB       SER  43   9.114   0.122   5.690
  298    HG   SER  43           HG       SER  43  11.315  -0.022   6.329
  299    H    HIS  44           H        HIS  44   9.345  -0.924   1.969
  300    HA   HIS  44           HA       HIS  44   6.841  -2.542   2.187
  301   1HB   HIS  44          1HB       HIS  44   6.881   0.430   1.637
  302   2HB   HIS  44          2HB       HIS  44   5.555  -0.633   1.183
  303    HD1  HIS  44           HD1      HIS  44   7.349   0.551   4.352
  304    HD2  HIS  44           HD2      HIS  44   3.838  -1.386   3.092
  305    HE1  HIS  44           HE1      HIS  44   5.871   0.283   6.413
  306    HE2  HIS  44           HE2      HIS  44   3.718  -0.910   5.668
  307    HA   PRO  45           HA       PRO  45   9.491  -2.712  -1.671
  308   1HB   PRO  45          1HB       PRO  45   9.243  -5.401  -2.314
  309   2HB   PRO  45          2HB       PRO  45  10.397  -4.715  -1.146
  310   1HG   PRO  45          1HG       PRO  45   7.653  -5.875  -0.557
  311   2HG   PRO  45          2HG       PRO  45   9.208  -6.278   0.229
  312   1HD   PRO  45          1HD       PRO  45   7.574  -4.546   1.388
  313   2HD   PRO  45          2HD       PRO  45   9.290  -4.123   1.305
  314    H    SER  46           H        SER  46   6.018  -3.792  -1.557
  315    HA   SER  46           HA       SER  46   5.980  -4.156  -4.462
  316   1HB   SER  46          1HB       SER  46   4.780  -5.761  -3.220
  317   2HB   SER  46          2HB       SER  46   3.962  -4.593  -2.230
  318    HG   SER  46           HG       SER  46   2.972  -3.871  -4.229
  319    HXT  SER  46           HO        OH  47   6.492  -2.087  -5.086
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1   2.299   8.982  -3.753
    2   2H    LYS   1          2H        LYS   1   1.848   8.826  -5.334
    3   3H    LYS   1          3H        LYS   1   0.912   8.179  -4.144
    4    HA   LYS   1           HA       LYS   1   2.097   6.491  -5.230
    5   1HB   LYS   1          1HB       LYS   1   3.944   8.136  -5.858
    6   2HB   LYS   1          2HB       LYS   1   4.708   7.729  -4.326
    7   1HG   LYS   1          1HG       LYS   1   3.912   5.682  -6.463
    8   2HG   LYS   1          2HG       LYS   1   5.458   6.516  -6.435
    9   1HD   LYS   1          1HD       LYS   1   5.096   5.453  -3.810
   10   2HD   LYS   1          2HD       LYS   1   4.648   4.163  -4.917
   11   1HE   LYS   1          1HE       LYS   1   7.261   5.766  -5.129
   12   2HE   LYS   1          2HE       LYS   1   7.105   4.260  -4.235
   13   1HZ   LYS   1          1HZ       LYS   1   6.410   3.193  -6.264
   14   2HZ   LYS   1          2HZ       LYS   1   6.654   4.590  -7.111
   15   3HZ   LYS   1          3HZ       LYS   1   7.921   3.822  -6.384
   16    H    SER   2           H        SER   2   2.265   4.617  -4.152
   17    HA   SER   2           HA       SER   2   2.249   4.530  -1.182
   18   1HB   SER   2          1HB       SER   2  -0.023   3.518  -1.257
   19   2HB   SER   2          2HB       SER   2  -0.049   5.194  -1.833
   20    HG   SER   2           HG       SER   2  -1.229   3.773  -3.171
   21    H    CYS   3           H        CYS   3   2.931   2.700  -0.378
   22    HA   CYS   3           HA       CYS   3   3.693   0.533  -2.278
   23   1HB   CYS   3          1HB       CYS   3   5.352   1.987  -0.218
   24   2HB   CYS   3          2HB       CYS   3   5.873   0.611  -1.201
   25    H    CYS   4           H        CYS   4   3.557  -1.585  -1.455
   26    HA   CYS   4           HA       CYS   4   2.486  -2.003   1.264
   27   1HB   CYS   4          1HB       CYS   4   2.205  -3.390  -1.410
   28   2HB   CYS   4          2HB       CYS   4   1.536  -3.989   0.066
   29    H    ARG   5           H        ARG   5   3.019  -3.726   2.510
   30    HA   ARG   5           HA       ARG   5   5.679  -4.263   2.497
   31   1HB   ARG   5          1HB       ARG   5   4.627  -6.692   3.638
   32   2HB   ARG   5          2HB       ARG   5   5.471  -5.380   4.389
   33   1HG   ARG   5          1HG       ARG   5   2.494  -5.214   3.810
   34   2HG   ARG   5          2HG       ARG   5   3.090  -6.166   5.171
   35   1HD   ARG   5          1HD       ARG   5   3.883  -3.257   4.748
   36   2HD   ARG   5          2HD       ARG   5   2.555  -3.795   5.774
   37    HE   ARG   5           HE       ARG   5   5.008  -5.119   6.453
   38   1HH1  ARG   5          1HH1      ARG   5   3.191  -2.089   7.005
   39   2HH1  ARG   5          2HH1      ARG   5   4.011  -1.767   8.516
   40   1HH2  ARG   5          1HH2      ARG   5   6.048  -4.634   8.409
   41   2HH2  ARG   5          2HH2      ARG   5   5.630  -3.193   9.301
   42    H    ASN   6           H        ASN   6   3.167  -5.813   0.522
   43    HA   ASN   6           HA       ASN   6   4.885  -7.188  -0.942
   44   1HB   ASN   6          1HB       ASN   6   4.175  -9.562  -0.471
   45   2HB   ASN   6          2HB       ASN   6   5.084  -8.855   0.863
   46   1HD2  ASN   6          2HD2      ASN   6   3.685 -11.077   1.389
   47   2HD2  ASN   6          1HD2      ASN   6   2.293 -10.695   2.388
   48    H    THR   7           H        THR   7   3.880  -8.624  -2.397
   49    HA   THR   7           HA       THR   7   2.097  -7.058  -4.033
   50    HB   THR   7           HB       THR   7   3.126  -9.791  -4.268
   51    HG1  THR   7           HG1      THR   7   4.513  -8.742  -5.775
   52   1HG2  THR   7          1HG2      THR   7   2.470  -9.361  -6.696
   53   2HG2  THR   7          2HG2      THR   7   1.109  -9.569  -5.564
   54   3HG2  THR   7          3HG2      THR   7   1.574  -7.930  -6.088
   55    H    LEU   8           H        LEU   8   1.679  -9.525  -1.606
   56    HA   LEU   8           HA       LEU   8  -1.004 -10.362  -1.919
   57   1HB   LEU   8          2HB       LEU   8   1.267 -10.968  -0.488
   58   2HB   LEU   8          1HB       LEU   8   0.535  -9.953   0.543
   59    HG   LEU   8           HG       LEU   8  -0.752 -12.523  -0.460
   60   1HD1  LEU   8          1HD2      LEU   8  -0.423 -13.336   1.846
   61   2HD1  LEU   8          2HD2      LEU   8   1.121 -12.853   1.126
   62   3HD1  LEU   8          3HD2      LEU   8   0.322 -11.793   2.302
   63   1HD2  LEU   8          1HD1      LEU   8  -2.548 -10.930  -0.013
   64   2HD2  LEU   8          2HD1      LEU   8  -2.506 -12.116   1.292
   65   3HD2  LEU   8          3HD1      LEU   8  -1.825 -10.492   1.552
   66    H    ALA   9           H        ALA   9   0.842  -7.959  -0.295
   67    HA   ALA   9           HA       ALA   9  -1.492  -6.873   1.218
   68   1HB   ALA   9          1HB       ALA   9   0.068  -4.969   1.826
   69   2HB   ALA   9          2HB       ALA   9   0.491  -6.608   2.384
   70   3HB   ALA   9          3HB       ALA   9   1.326  -5.893   0.990
   71    H    ARG  10           H        ARG  10   0.366  -5.830  -1.496
   72    HA   ARG  10           HA       ARG  10  -0.986  -3.637  -2.526
   73   1HB   ARG  10          1HB       ARG  10   1.212  -4.349  -3.112
   74   2HB   ARG  10          2HB       ARG  10   0.596  -5.949  -3.480
   75   1HG   ARG  10          1HG       ARG  10   1.276  -4.728  -5.517
   76   2HG   ARG  10          2HG       ARG  10  -0.393  -5.305  -5.519
   77   1HD   ARG  10          1HD       ARG  10  -0.141  -3.034  -6.287
   78   2HD   ARG  10          2HD       ARG  10  -1.212  -3.220  -4.850
   79    HE   ARG  10           HE       ARG  10   1.327  -2.511  -3.894
   80   1HH1  ARG  10          1HH1      ARG  10  -1.328  -0.959  -5.692
   81   2HH1  ARG  10          2HH1      ARG  10  -1.040   0.598  -4.939
   82   1HH2  ARG  10          1HH2      ARG  10   1.641  -0.522  -2.932
   83   2HH2  ARG  10          2HH2      ARG  10   0.660   0.851  -3.387
   84    H    ASN  11           H        ASN  11  -1.630  -7.072  -2.753
   85    HA   ASN  11           HA       ASN  11  -3.822  -6.770  -4.708
   86   1HB   ASN  11          1HB       ASN  11  -3.025  -9.146  -2.991
   87   2HB   ASN  11          2HB       ASN  11  -4.418  -9.146  -4.068
   88   1HD2  ASN  11          2HD2      ASN  11  -2.413 -11.026  -4.401
   89   2HD2  ASN  11          1HD2      ASN  11  -1.579 -10.692  -5.904
   90    H    CYS  12           H        CYS  12  -3.829  -7.450  -1.196
   91    HA   CYS  12           HA       CYS  12  -6.422  -6.914  -0.466
   92   1HB   CYS  12          1HB       CYS  12  -4.829  -7.835   1.065
   93   2HB   CYS  12          2HB       CYS  12  -3.780  -6.436   0.925
   94    H    TYR  13           H        TYR  13  -3.782  -4.639  -0.854
   95    HA   TYR  13           HA       TYR  13  -5.274  -2.297  -0.216
   96   1HB   TYR  13          1HB       TYR  13  -2.874  -2.288  -0.171
   97   2HB   TYR  13          2HB       TYR  13  -2.771  -2.653  -1.885
   98    HD1  TYR  13           HD1      TYR  13  -3.175   0.019   0.591
   99    HD2  TYR  13           HD2      TYR  13  -3.277  -0.948  -3.612
  100    HE1  TYR  13           HE1      TYR  13  -3.057   2.439   0.030
  101    HE2  TYR  13           HE2      TYR  13  -3.140   1.461  -4.181
  102    HH   TYR  13           HH       TYR  13  -3.050   3.623  -3.361
  103    H    ASN  14           H        ASN  14  -4.622  -3.705  -3.410
  104    HA   ASN  14           HA       ASN  14  -6.010  -1.741  -4.983
  105   1HB   ASN  14          1HB       ASN  14  -5.296  -4.645  -5.576
  106   2HB   ASN  14          2HB       ASN  14  -5.935  -3.501  -6.765
  107   1HD2  ASN  14          2HD2      ASN  14  -3.384  -4.967  -6.857
  108   2HD2  ASN  14          1HD2      ASN  14  -2.142  -3.741  -6.978
  109    H    ALA  15           H        ALA  15  -6.860  -4.610  -3.259
  110    HA   ALA  15           HA       ALA  15  -9.596  -4.819  -4.172
  111   1HB   ALA  15          1HB       ALA  15  -8.364  -6.803  -3.324
  112   2HB   ALA  15          2HB       ALA  15  -8.211  -6.020  -1.734
  113   3HB   ALA  15          3HB       ALA  15  -9.811  -6.462  -2.336
  114    H    CYS  16           H        CYS  16  -8.002  -3.301  -1.208
  115    HA   CYS  16           HA       CYS  16 -10.584  -2.666  -0.093
  116   1HB   CYS  16          1HB       CYS  16  -8.942  -2.779   1.492
  117   2HB   CYS  16          2HB       CYS  16  -7.699  -2.040   0.486
  118    H    ARG  17           H        ARG  17  -8.426  -1.300  -2.526
  119    HA   ARG  17           HA       ARG  17  -9.649   1.322  -2.687
  120   1HB   ARG  17          1HB       ARG  17  -7.691  -0.296  -4.354
  121   2HB   ARG  17          2HB       ARG  17  -8.232   1.278  -4.848
  122   1HG   ARG  17          1HG       ARG  17  -6.854   0.933  -2.178
  123   2HG   ARG  17          2HG       ARG  17  -5.965   1.071  -3.688
  124   1HD   ARG  17          1HD       ARG  17  -6.088   3.242  -2.666
  125   2HD   ARG  17          2HD       ARG  17  -7.025   3.243  -4.161
  126    HE   ARG  17           HE       ARG  17  -8.542   2.629  -1.734
  127   1HH1  ARG  17          1HH1      ARG  17  -7.448   5.312  -3.814
  128   2HH1  ARG  17          2HH1      ARG  17  -8.791   6.337  -3.373
  129   1HH2  ARG  17          1HH2      ARG  17 -10.275   3.981  -1.201
  130   2HH2  ARG  17          2HH2      ARG  17 -10.382   5.591  -1.874
  131    H    PHE  18           H        PHE  18 -10.154  -1.905  -4.083
  132    HA   PHE  18           HA       PHE  18 -12.220  -1.167  -5.931
  133   1HB   PHE  18          1HB       PHE  18 -11.013  -3.494  -5.565
  134   2HB   PHE  18          2HB       PHE  18 -12.214  -3.786  -4.377
  135    HD1  PHE  18           HD1      PHE  18 -14.633  -3.927  -4.870
  136    HD2  PHE  18           HD2      PHE  18 -11.674  -3.479  -7.986
  137    HE1  PHE  18           HE1      PHE  18 -16.300  -4.649  -6.561
  138    HE2  PHE  18           HE2      PHE  18 -13.341  -4.223  -9.670
  139    HZ   PHE  18           HZ       PHE  18 -15.654  -4.808  -8.964
  140    H    THR  19           H        THR  19 -12.284  -2.474  -2.539
  141    HA   THR  19           HA       THR  19 -15.017  -2.050  -2.109
  142    HB   THR  19           HB       THR  19 -14.638  -2.733   0.030
  143    HG1  THR  19           HG1      THR  19 -12.183  -1.527  -0.095
  144   1HG2  THR  19          1HG2      THR  19 -13.874  -4.775  -0.332
  145   2HG2  THR  19          2HG2      THR  19 -13.487  -4.259  -1.973
  146   3HG2  THR  19          3HG2      THR  19 -12.255  -4.214  -0.691
  147    H    GLY  20           H        GLY  20 -15.688  -0.871   0.040
  148   1HA   GLY  20          1HA       GLY  20 -15.507   2.047  -0.425
  149   2HA   GLY  20          2HA       GLY  20 -16.621   1.183   0.639
  150    H    GLY  21           H        GLY  21 -13.215   0.449   0.561
  151   1HA   GLY  21          1HA       GLY  21 -12.605   1.555   3.231
  152   2HA   GLY  21          2HA       GLY  21 -11.750   0.259   2.373
  153    H    SER  22           H        SER  22 -11.767   3.547   2.947
  154    HA   SER  22           HA       SER  22 -10.839   4.837   0.708
  155   1HB   SER  22          2HB       SER  22 -10.419   5.382   3.568
  156   2HB   SER  22          1HB       SER  22 -10.252   6.555   2.267
  157    HG   SER  22           HG       SER  22 -12.273   6.719   3.297
  158    H    GLN  23           H        GLN  23  -8.805   5.871   1.024
  159    HA   GLN  23           HA       GLN  23  -6.757   3.975   0.220
  160   1HB   GLN  23          1HB       GLN  23  -6.963   6.149  -0.936
  161   2HB   GLN  23          2HB       GLN  23  -6.284   6.973   0.464
  162   1HG   GLN  23          1HG       GLN  23  -4.209   5.624   0.268
  163   2HG   GLN  23          2HG       GLN  23  -4.932   4.718  -1.062
  164   1HE2  GLN  23          2HE2      GLN  23  -3.934   8.042  -0.074
  165   2HE2  GLN  23          1HE2      GLN  23  -3.555   8.588  -1.696
  166    HA   PRO  24           HA       PRO  24  -4.804   5.121   4.551
  167   1HB   PRO  24          1HB       PRO  24  -7.574   5.793   5.762
  168   2HB   PRO  24          2HB       PRO  24  -5.997   6.266   6.361
  169   1HG   PRO  24          1HG       PRO  24  -7.479   8.022   4.927
  170   2HG   PRO  24          2HG       PRO  24  -5.774   7.823   4.405
  171   1HD   PRO  24          1HD       PRO  24  -8.222   6.327   3.387
  172   2HD   PRO  24          2HD       PRO  24  -7.073   7.277   2.428
  173    H    THR  25           H        THR  25  -8.123   4.076   4.600
  174    HA   THR  25           HA       THR  25  -7.791   1.909   6.417
  175    HB   THR  25           HB       THR  25  -9.678   2.344   4.225
  176    HG1  THR  25           HG1      THR  25  -9.852   3.663   6.056
  177   1HG2  THR  25          1HG2      THR  25 -11.078   0.443   5.291
  178   2HG2  THR  25          2HG2      THR  25  -9.601  -0.122   4.509
  179   3HG2  THR  25          3HG2      THR  25  -9.638   0.082   6.266
  180    H    CYS  26           H        CYS  26  -7.156   2.029   2.998
  181    HA   CYS  26           HA       CYS  26  -6.505  -0.805   2.761
  182   1HB   CYS  26          1HB       CYS  26  -5.556   1.402   0.887
  183   2HB   CYS  26          2HB       CYS  26  -5.719  -0.322   0.574
  184    H    GLY  27           H        GLY  27  -4.501   2.094   2.895
  185   1HA   GLY  27          1HA       GLY  27  -2.087   0.675   3.303
  186   2HA   GLY  27          2HA       GLY  27  -2.318   2.392   3.667
  187    H    ILE  28           H        ILE  28  -4.638   1.177   5.545
  188    HA   ILE  28           HA       ILE  28  -2.876   0.481   7.765
  189    HB   ILE  28           HB       ILE  28  -5.869   0.917   7.569
  190   1HG1  ILE  28          1HG1      ILE  28  -3.874   2.561   9.240
  191   2HG1  ILE  28          2HG1      ILE  28  -4.049   2.918   7.528
  192   1HG2  ILE  28          1HG2      ILE  28  -5.914   0.885  10.071
  193   2HG2  ILE  28          2HG2      ILE  28  -5.656  -0.668   9.296
  194   3HG2  ILE  28          3HG2      ILE  28  -4.267   0.185  10.007
  195   1HD1  ILE  28          1HD1      ILE  28  -6.291   3.000   9.575
  196   2HD1  ILE  28          2HD1      ILE  28  -5.497   4.380   8.784
  197   3HD1  ILE  28          3HD1      ILE  28  -6.484   3.255   7.825
  198    H    LEU  29           H        LEU  29  -5.685  -0.914   6.200
  199    HA   LEU  29           HA       LEU  29  -5.691  -3.150   8.010
  200   1HB   LEU  29          1HB       LEU  29  -7.111  -2.900   5.323
  201   2HB   LEU  29          2HB       LEU  29  -7.325  -4.254   6.441
  202    HG   LEU  29           HG       LEU  29  -7.930  -1.375   7.057
  203   1HD1  LEU  29          1HD1      LEU  29  -9.486  -2.389   5.374
  204   2HD1  LEU  29          2HD1      LEU  29  -9.798  -3.742   6.472
  205   3HD1  LEU  29          3HD1      LEU  29 -10.337  -2.111   6.905
  206   1HD2  LEU  29          1HD2      LEU  29  -8.457  -3.893   8.700
  207   2HD2  LEU  29          2HD2      LEU  29  -7.439  -2.512   9.165
  208   3HD2  LEU  29          3HD2      LEU  29  -9.185  -2.316   9.043
  209    H    CYS  30           H        CYS  30  -4.749  -2.516   4.773
  210    HA   CYS  30           HA       CYS  30  -3.277  -5.064   4.357
  211   1HB   CYS  30          1HB       CYS  30  -3.308  -2.688   2.476
  212   2HB   CYS  30          2HB       CYS  30  -2.934  -4.348   2.153
  213    H    ASP  31           H        ASP  31  -2.549  -2.254   6.090
  214    HA   ASP  31           HA       ASP  31  -0.653  -1.406   6.908
  215   1HB   ASP  31          1HB       ASP  31   0.477  -4.112   6.078
  216   2HB   ASP  31          2HB       ASP  31   1.194  -3.016   7.266
  217    HD2  ASP  31           HD2      ASP  31  -1.236  -3.684   9.762
  218    H    CYS  32           H        CYS  32  -1.121  -0.741   4.210
  219    HA   CYS  32           HA       CYS  32   1.615  -0.614   2.909
  220   1HB   CYS  32          1HB       CYS  32  -0.931   0.445   1.656
  221   2HB   CYS  32          2HB       CYS  32   0.617   0.257   0.940
  222    H    ILE  33           H        ILE  33   2.058   1.828   1.873
  223    HA   ILE  33           HA       ILE  33   1.445   3.848   3.983
  224    HB   ILE  33           HB       ILE  33   3.848   4.527   3.812
  225   1HG1  ILE  33          1HG1      ILE  33   4.275   1.811   2.502
  226   2HG1  ILE  33          2HG1      ILE  33   4.279   3.342   1.605
  227   1HG2  ILE  33          1HG2      ILE  33   3.426   1.707   4.867
  228   2HG2  ILE  33          2HG2      ILE  33   4.656   2.876   5.398
  229   3HG2  ILE  33          3HG2      ILE  33   2.954   3.192   5.704
  230   1HD1  ILE  33          1HD1      ILE  33   6.195   4.077   3.012
  231   2HD1  ILE  33          2HD1      ILE  33   6.190   2.508   3.817
  232   3HD1  ILE  33          3HD1      ILE  33   6.529   2.592   2.080
  233    H    HIS  34           H        HIS  34   2.692   5.948   2.984
  234    HA   HIS  34           HA       HIS  34   2.168   6.152   0.116
  235   1HB   HIS  34          1HB       HIS  34   0.167   7.131   1.307
  236   2HB   HIS  34          2HB       HIS  34   1.241   8.266   2.119
  237    HD1  HIS  34           HD1      HIS  34  -0.780   7.830  -0.915
  238    HD2  HIS  34           HD2      HIS  34   2.687   9.993   0.159
  239    HE1  HIS  34           HE1      HIS  34  -0.440   9.654  -2.670
  240    HE2  HIS  34           HE2      HIS  34   1.669  10.964  -2.033
  241    H    VAL  35           H        VAL  35   4.065   6.535  -0.748
  242    HA   VAL  35           HA       VAL  35   6.100   7.956   0.928
  243    HB   VAL  35           HB       VAL  35   7.786   7.091  -0.370
  244   1HG1  VAL  35          1HG1      VAL  35   6.228   4.870   0.803
  245   2HG1  VAL  35          2HG1      VAL  35   7.973   4.898   0.462
  246   3HG1  VAL  35          3HG1      VAL  35   7.318   6.022   1.662
  247   1HG2  VAL  35          1HG2      VAL  35   5.875   5.240  -1.726
  248   2HG2  VAL  35          2HG2      VAL  35   6.867   6.522  -2.510
  249   3HG2  VAL  35          3HG2      VAL  35   7.648   5.111  -1.792
  250    H    THR  36           H        THR  36   7.070   9.582   0.223
  251    HA   THR  36           HA       THR  36   7.076  10.272  -2.654
  252    HB   THR  36           HB       THR  36   7.628  12.591  -2.112
  253    HG1  THR  36           HG1      THR  36   7.255  13.339   0.010
  254   1HG2  THR  36          1HG2      THR  36   5.346  13.294  -1.513
  255   2HG2  THR  36          2HG2      THR  36   5.276  11.876  -2.584
  256   3HG2  THR  36          3HG2      THR  36   4.981  11.690  -0.847
  257    H    THR  37           H        THR  37   8.278   8.169  -1.736
  258    HA   THR  37           HA       THR  37  10.954   8.509  -0.890
  259    HB   THR  37           HB       THR  37   9.794   6.093  -1.893
  260    HG1  THR  37           HG1      THR  37   9.895   5.639   0.420
  261   1HG2  THR  37          1HG2      THR  37  11.658   5.036  -0.490
  262   2HG2  THR  37          2HG2      THR  37  12.150   5.675  -2.030
  263   3HG2  THR  37          3HG2      THR  37  12.452   6.614  -0.544
  264    H    THR  38           H        THR  38  12.277   7.415  -2.526
  265    HA   THR  38           HA       THR  38  12.573   8.520  -5.233
  266    HB   THR  38           HB       THR  38  13.871   6.106  -4.178
  267    HG1  THR  38           HG1      THR  38  15.600   7.533  -3.729
  268   1HG2  THR  38          1HG2      THR  38  14.009   6.315  -6.662
  269   2HG2  THR  38          2HG2      THR  38  14.641   7.959  -6.474
  270   3HG2  THR  38          3HG2      THR  38  15.595   6.562  -5.917
  271    H    THR  39           H        THR  39  11.584   5.255  -3.919
  272    HA   THR  39           HA       THR  39   9.529   4.679  -5.774
  273    HB   THR  39           HB       THR  39  11.695   2.798  -5.475
  274    HG1  THR  39           HG1      THR  39  12.942   4.487  -6.205
  275   1HG2  THR  39          1HG2      THR  39  11.072   2.159  -7.814
  276   2HG2  THR  39          2HG2      THR  39   9.690   2.132  -6.712
  277   3HG2  THR  39          3HG2      THR  39   9.915   3.519  -7.814
  278    H    CYS  40           H        CYS  40   8.886   2.488  -5.093
  279    HA   CYS  40           HA       CYS  40   8.202   2.439  -2.438
  280   1HB   CYS  40          1HB       CYS  40   8.156   0.201  -4.499
  281   2HB   CYS  40          2HB       CYS  40   7.543  -0.039  -2.870
  282    HA   PRO  41           HA       PRO  41  12.090   1.476  -0.632
  283   1HB   PRO  41          1HB       PRO  41  11.441   1.637   2.002
  284   2HB   PRO  41          2HB       PRO  41  11.381   3.030   0.906
  285   1HG   PRO  41          1HG       PRO  41   9.061   1.223   1.686
  286   2HG   PRO  41          2HG       PRO  41   9.141   3.003   1.781
  287   1HD   PRO  41          1HD       PRO  41   8.023   1.826  -0.375
  288   2HD   PRO  41          2HD       PRO  41   9.091   3.240  -0.569
  289    H    SER  42           H        SER  42  13.088   0.193   1.023
  290    HA   SER  42           HA       SER  42  12.874  -2.636   0.786
  291   1HB   SER  42          1HB       SER  42  14.049  -0.829   2.943
  292   2HB   SER  42          2HB       SER  42  14.316  -2.585   2.823
  293    HG   SER  42           HG       SER  42  16.002  -1.364   1.850
  294    H    SER  43           H        SER  43  11.319  -0.221   2.965
  295    HA   SER  43           HA       SER  43  10.485  -2.069   5.000
  296   1HB   SER  43          2HB       SER  43   9.710   0.675   4.271
  297   2HB   SER  43          1HB       SER  43   9.203  -0.139   5.737
  298    HG   SER  43           HG       SER  43  11.040   1.207   6.059
  299    H    HIS  44           H        HIS  44   9.341  -0.954   1.963
  300    HA   HIS  44           HA       HIS  44   6.842  -2.601   2.081
  301   1HB   HIS  44          1HB       HIS  44   6.834   0.389   1.649
  302   2HB   HIS  44          2HB       HIS  44   5.512  -0.704   1.264
  303    HD1  HIS  44           HD1      HIS  44   7.473   0.489   4.314
  304    HD2  HIS  44           HD2      HIS  44   3.866  -1.450   3.324
  305    HE1  HIS  44           HE1      HIS  44   6.085   0.319   6.454
  306    HE2  HIS  44           HE2      HIS  44   3.875  -0.834   5.841
  307    HA   PRO  45           HA       PRO  45   9.391  -2.636  -1.818
  308   1HB   PRO  45          1HB       PRO  45   9.202  -5.305  -2.463
  309   2HB   PRO  45          2HB       PRO  45  10.320  -4.634  -1.251
  310   1HG   PRO  45          1HG       PRO  45   7.582  -5.828  -0.769
  311   2HG   PRO  45          2HG       PRO  45   9.115  -6.256   0.049
  312   1HD   PRO  45          1HD       PRO  45   7.425  -4.513   1.202
  313   2HD   PRO  45          2HD       PRO  45   9.165  -4.173   1.229
  314    H    SER  46           H        SER  46   5.984  -3.978  -1.503
  315    HA   SER  46           HA       SER  46   5.787  -4.131  -4.431
  316   1HB   SER  46          1HB       SER  46   4.786  -5.946  -3.166
  317   2HB   SER  46          2HB       SER  46   3.864  -4.825  -2.189
  318    HG   SER  46           HG       SER  46   3.782  -5.224  -5.026
  319    HXT  SER  46           HO        OH  47   6.207  -1.901  -4.694
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1   1.969   8.985  -3.969
    2   2H    LYS   1          2H        LYS   1   3.343   9.577  -3.276
    3   3H    LYS   1          3H        LYS   1   3.194   9.546  -4.915
    4    HA   LYS   1           HA       LYS   1   3.136   7.220  -4.950
    5   1HB   LYS   1          1HB       LYS   1   5.401   8.806  -4.505
    6   2HB   LYS   1          2HB       LYS   1   5.601   7.500  -3.340
    7   1HG   LYS   1          1HG       LYS   1   5.203   7.177  -6.337
    8   2HG   LYS   1          2HG       LYS   1   6.720   7.056  -5.441
    9   1HD   LYS   1          1HD       LYS   1   5.603   5.158  -4.081
   10   2HD   LYS   1          2HD       LYS   1   4.324   5.177  -5.299
   11   1HE   LYS   1          1HE       LYS   1   5.864   3.488  -6.002
   12   2HE   LYS   1          2HE       LYS   1   6.165   4.860  -7.079
   13   1HZ   LYS   1          1HZ       LYS   1   7.727   4.182  -4.695
   14   2HZ   LYS   1          2HZ       LYS   1   8.158   3.869  -6.253
   15   3HZ   LYS   1          3HZ       LYS   1   8.034   5.427  -5.730
   16    H    SER   2           H        SER   2   2.573   5.362  -3.960
   17    HA   SER   2           HA       SER   2   2.512   5.015  -0.994
   18   1HB   SER   2          1HB       SER   2   0.111   4.783  -2.876
   19   2HB   SER   2          2HB       SER   2   0.162   4.214  -1.202
   20    HG   SER   2           HG       SER   2  -0.736   6.296  -1.360
   21    H    CYS   3           H        CYS   3   3.343   3.162  -0.498
   22    HA   CYS   3           HA       CYS   3   3.696   1.060  -2.582
   23   1HB   CYS   3          1HB       CYS   3   5.617   2.244  -0.554
   24   2HB   CYS   3          2HB       CYS   3   5.937   0.768  -1.448
   25    H    CYS   4           H        CYS   4   3.541  -1.132  -1.790
   26    HA   CYS   4           HA       CYS   4   2.269  -1.407   0.856
   27   1HB   CYS   4          1HB       CYS   4   1.967  -2.776  -1.824
   28   2HB   CYS   4          2HB       CYS   4   1.382  -3.480  -0.362
   29    H    ARG   5           H        ARG   5   2.581  -3.038   2.017
   30    HA   ARG   5           HA       ARG   5   5.123  -3.803   2.525
   31   1HB   ARG   5          1HB       ARG   5   3.425  -3.596   4.198
   32   2HB   ARG   5          2HB       ARG   5   2.338  -4.682   3.314
   33   1HG   ARG   5          1HG       ARG   5   2.905  -5.753   5.181
   34   2HG   ARG   5          2HG       ARG   5   3.789  -6.573   3.888
   35   1HD   ARG   5          1HD       ARG   5   4.984  -4.414   5.752
   36   2HD   ARG   5          2HD       ARG   5   5.101  -6.153   6.093
   37    HE   ARG   5           HE       ARG   5   6.113  -5.631   3.489
   38   1HH1  ARG   5          1HH1      ARG   5   7.032  -5.115   6.889
   39   2HH1  ARG   5          2HH1      ARG   5   8.745  -5.159   6.535
   40   1HH2  ARG   5          1HH2      ARG   5   8.338  -5.693   3.078
   41   2HH2  ARG   5          2HH2      ARG   5   9.486  -5.463   4.378
   42    H    ASN   6           H        ASN   6   2.934  -5.262   0.311
   43    HA   ASN   6           HA       ASN   6   4.754  -6.589  -1.061
   44   1HB   ASN   6          1HB       ASN   6   4.055  -9.021  -0.737
   45   2HB   ASN   6          2HB       ASN   6   5.122  -8.358   0.472
   46   1HD2  ASN   6          2HD2      ASN   6   3.995 -10.572   1.218
   47   2HD2  ASN   6          1HD2      ASN   6   2.682 -10.306   2.360
   48    H    THR   7           H        THR   7   3.759  -8.100  -2.536
   49    HA   THR   7           HA       THR   7   1.856  -6.586  -4.129
   50    HB   THR   7           HB       THR   7   3.026  -9.256  -4.427
   51    HG1  THR   7           HG1      THR   7   4.475  -7.518  -4.614
   52   1HG2  THR   7          1HG2      THR   7   1.264  -7.513  -6.187
   53   2HG2  THR   7          2HG2      THR   7   2.201  -8.899  -6.833
   54   3HG2  THR   7          3HG2      THR   7   0.920  -9.169  -5.627
   55    H    LEU   8           H        LEU   8   1.768  -9.177  -1.769
   56    HA   LEU   8           HA       LEU   8  -0.929 -10.045  -1.844
   57   1HB   LEU   8          1HB       LEU   8   1.418 -10.416  -0.344
   58   2HB   LEU   8          2HB       LEU   8   0.535  -9.516   0.763
   59    HG   LEU   8           HG       LEU   8  -0.455 -12.151  -0.374
   60   1HD1  LEU   8          1HD1      LEU   8   0.485 -11.303   2.414
   61   2HD1  LEU   8          2HD1      LEU   8  -0.115 -12.912   1.962
   62   3HD1  LEU   8          3HD1      LEU   8   1.404 -12.309   1.272
   63   1HD2  LEU   8          1HD2      LEU   8  -1.716 -10.192   1.622
   64   2HD2  LEU   8          2HD2      LEU   8  -2.389 -10.696   0.055
   65   3HD2  LEU   8          3HD2      LEU   8  -2.275 -11.862   1.377
   66    H    ALA   9           H        ALA   9   0.816  -7.489  -0.342
   67    HA   ALA   9           HA       ALA   9  -1.455  -6.567   1.322
   68   1HB   ALA   9          1HB       ALA   9   0.622  -6.176   2.250
   69   2HB   ALA   9          2HB       ALA   9   1.154  -5.254   0.815
   70   3HB   ALA   9          3HB       ALA   9  -0.111  -4.596   1.851
   71    H    ARG  10           H        ARG  10   0.098  -5.538  -1.573
   72    HA   ARG  10           HA       ARG  10  -1.337  -3.354  -2.524
   73   1HB   ARG  10          1HB       ARG  10   0.879  -4.060  -3.214
   74   2HB   ARG  10          2HB       ARG  10   0.223  -5.645  -3.595
   75   1HG   ARG  10          1HG       ARG  10   0.855  -4.333  -5.588
   76   2HG   ARG  10          2HG       ARG  10  -0.807  -4.946  -5.568
   77   1HD   ARG  10          1HD       ARG  10  -0.691  -2.670  -6.275
   78   2HD   ARG  10          2HD       ARG  10  -1.631  -2.880  -4.758
   79    HE   ARG  10           HE       ARG  10   0.954  -2.147  -3.995
   80   1HH1  ARG  10          1HH1      ARG  10  -1.836  -0.604  -5.580
   81   2HH1  ARG  10          2HH1      ARG  10  -1.417   0.984  -4.987
   82   1HH2  ARG  10          1HH2      ARG  10   1.496  -0.073  -3.289
   83   2HH2  ARG  10          2HH2      ARG  10   0.489   1.294  -3.708
   84    H    ASN  11           H        ASN  11  -1.823  -6.806  -2.713
   85    HA   ASN  11           HA       ASN  11  -4.124  -6.647  -4.545
   86   1HB   ASN  11          1HB       ASN  11  -3.109  -8.975  -2.870
   87   2HB   ASN  11          2HB       ASN  11  -4.543  -9.046  -3.888
   88   1HD2  ASN  11          2HD2      ASN  11  -2.438 -10.804  -4.313
   89   2HD2  ASN  11          1HD2      ASN  11  -1.674 -10.417  -5.841
   90    H    CYS  12           H        CYS  12  -3.844  -7.327  -1.030
   91    HA   CYS  12           HA       CYS  12  -6.425  -6.978  -0.167
   92   1HB   CYS  12          1HB       CYS  12  -4.723  -7.794   1.290
   93   2HB   CYS  12          2HB       CYS  12  -3.747  -6.350   1.088
   94    H    TYR  13           H        TYR  13  -4.002  -4.531  -0.791
   95    HA   TYR  13           HA       TYR  13  -5.560  -2.285   0.031
   96   1HB   TYR  13          1HB       TYR  13  -3.168  -2.153  -0.066
   97   2HB   TYR  13          2HB       TYR  13  -3.156  -2.501  -1.790
   98    HD1  TYR  13           HD1      TYR  13  -3.865  -0.794  -3.472
   99    HD2  TYR  13           HD2      TYR  13  -3.333   0.121   0.705
  100    HE1  TYR  13           HE1      TYR  13  -3.813   1.622  -4.018
  101    HE2  TYR  13           HE2      TYR  13  -3.286   2.550   0.169
  102    HH   TYR  13           HH       TYR  13  -3.686   3.781  -3.191
  103    H    ASN  14           H        ASN  14  -5.062  -3.610  -3.220
  104    HA   ASN  14           HA       ASN  14  -6.728  -1.724  -4.626
  105   1HB   ASN  14          1HB       ASN  14  -5.791  -4.537  -5.343
  106   2HB   ASN  14          2HB       ASN  14  -6.621  -3.440  -6.458
  107   1HD2  ASN  14          2HD2      ASN  14  -3.895  -4.668  -6.635
  108   2HD2  ASN  14          1HD2      ASN  14  -2.805  -3.315  -6.855
  109    H    ALA  15           H        ALA  15  -7.190  -4.696  -2.919
  110    HA   ALA  15           HA       ALA  15  -9.976  -5.110  -3.605
  111   1HB   ALA  15          1HB       ALA  15  -8.562  -6.989  -2.850
  112   2HB   ALA  15          2HB       ALA  15  -8.322  -6.179  -1.282
  113   3HB   ALA  15          3HB       ALA  15  -9.934  -6.728  -1.743
  114    H    CYS  16           H        CYS  16  -8.255  -3.496  -0.737
  115    HA   CYS  16           HA       CYS  16 -10.722  -3.065   0.620
  116   1HB   CYS  16          1HB       CYS  16  -8.914  -2.867   1.992
  117   2HB   CYS  16          2HB       CYS  16  -7.881  -2.105   0.800
  118    H    ARG  17           H        ARG  17  -8.961  -1.516  -2.006
  119    HA   ARG  17           HA       ARG  17 -10.404   0.963  -2.032
  120   1HB   ARG  17          2HB       ARG  17  -8.181   0.798  -2.971
  121   2HB   ARG  17          1HB       ARG  17  -8.744  -0.368  -4.178
  122   1HG   ARG  17          1HG       ARG  17  -8.486   1.682  -5.260
  123   2HG   ARG  17          2HG       ARG  17 -10.225   1.423  -5.156
  124   1HD   ARG  17          1HD       ARG  17  -8.585   3.216  -3.288
  125   2HD   ARG  17          2HD       ARG  17  -9.406   3.781  -4.753
  126    HE   ARG  17           HE       ARG  17 -11.162   2.452  -2.833
  127   1HH1  ARG  17          1HH1      ARG  17  -9.757   5.607  -3.690
  128   2HH1  ARG  17          2HH1      ARG  17 -11.024   6.488  -2.869
  129   1HH2  ARG  17          1HH2      ARG  17 -12.738   3.608  -1.764
  130   2HH2  ARG  17          2HH2      ARG  17 -12.702   5.357  -1.771
  131    H    PHE  18           H        PHE  18 -10.841  -2.248  -3.518
  132    HA   PHE  18           HA       PHE  18 -13.125  -1.728  -5.127
  133   1HB   PHE  18          2HB       PHE  18 -11.552  -3.919  -4.782
  134   2HB   PHE  18          1HB       PHE  18 -12.716  -4.355  -3.652
  135    HD1  PHE  18           HD1      PHE  18 -12.088  -3.908  -7.225
  136    HD2  PHE  18           HD2      PHE  18 -15.134  -4.736  -4.268
  137    HE1  PHE  18           HE1      PHE  18 -13.607  -4.744  -9.010
  138    HE2  PHE  18           HE2      PHE  18 -16.642  -5.572  -6.067
  139    HZ   PHE  18           HZ       PHE  18 -15.882  -5.554  -8.440
  140    H    THR  19           H        THR  19 -12.721  -2.961  -1.766
  141    HA   THR  19           HA       THR  19 -15.442  -3.428  -1.366
  142    HB   THR  19           HB       THR  19 -14.649  -4.160   0.847
  143    HG1  THR  19           HG1      THR  19 -13.425  -2.380   1.289
  144   1HG2  THR  19          1HG2      THR  19 -14.001  -5.936  -0.365
  145   2HG2  THR  19          2HG2      THR  19 -13.333  -4.986  -1.659
  146   3HG2  THR  19          3HG2      THR  19 -12.353  -5.279  -0.207
  147    H    GLY  20           H        GLY  20 -14.835  -0.385  -1.692
  148   1HA   GLY  20          1HA       GLY  20 -15.767   1.539  -0.868
  149   2HA   GLY  20          2HA       GLY  20 -16.727   0.612   0.305
  150    H    GLY  21           H        GLY  21 -13.554  -0.469   0.739
  151   1HA   GLY  21          1HA       GLY  21 -12.781   1.266   2.827
  152   2HA   GLY  21          2HA       GLY  21 -11.867  -0.004   2.003
  153    H    SER  22           H        SER  22 -11.543   2.775   2.575
  154    HA   SER  22           HA       SER  22 -11.434   4.663   0.538
  155   1HB   SER  22          2HB       SER  22  -9.914   4.666   3.021
  156   2HB   SER  22          1HB       SER  22 -10.454   6.045   2.067
  157    HG   SER  22           HG       SER  22 -12.104   4.242   3.466
  158    H    GLN  23           H        GLN  23  -8.782   5.463   1.324
  159    HA   GLN  23           HA       GLN  23  -6.921   3.602  -0.042
  160   1HB   GLN  23          1HB       GLN  23  -6.864   6.618  -0.421
  161   2HB   GLN  23          2HB       GLN  23  -5.451   5.572  -0.643
  162   1HG   GLN  23          1HG       GLN  23  -6.702   4.218  -2.293
  163   2HG   GLN  23          2HG       GLN  23  -8.110   5.267  -2.086
  164   1HE2  GLN  23          2HE2      GLN  23  -4.604   5.355  -2.968
  165   2HE2  GLN  23          1HE2      GLN  23  -4.763   6.649  -4.138
  166    HA   PRO  24           HA       PRO  24  -4.978   5.488   3.987
  167   1HB   PRO  24          1HB       PRO  24  -7.728   6.342   5.116
  168   2HB   PRO  24          2HB       PRO  24  -6.150   6.862   5.647
  169   1HG   PRO  24          1HG       PRO  24  -7.560   8.438   3.949
  170   2HG   PRO  24          2HG       PRO  24  -5.881   8.075   3.430
  171   1HD   PRO  24          1HD       PRO  24  -8.404   6.540   2.780
  172   2HD   PRO  24          2HD       PRO  24  -7.281   7.236   1.600
  173    H    THR  25           H        THR  25  -8.270   4.382   4.266
  174    HA   THR  25           HA       THR  25  -7.849   2.439   6.344
  175    HB   THR  25           HB       THR  25  -9.739   2.543   4.108
  176    HG1  THR  25           HG1      THR  25 -11.223   2.945   5.817
  177   1HG2  THR  25          1HG2      THR  25  -9.519   0.403   6.301
  178   2HG2  THR  25          2HG2      THR  25 -10.977   0.592   5.301
  179   3HG2  THR  25          3HG2      THR  25  -9.454   0.112   4.576
  180    H    CYS  26           H        CYS  26  -7.324   2.226   2.898
  181    HA   CYS  26           HA       CYS  26  -6.717  -0.613   2.946
  182   1HB   CYS  26          1HB       CYS  26  -5.951   1.451   0.816
  183   2HB   CYS  26          2HB       CYS  26  -6.056  -0.294   0.623
  184    H    GLY  27           H        GLY  27  -4.661   2.244   2.808
  185   1HA   GLY  27          1HA       GLY  27  -2.254   0.742   3.115
  186   2HA   GLY  27          2HA       GLY  27  -2.395   2.496   3.360
  187    H    ILE  28           H        ILE  28  -4.664   1.727   5.460
  188    HA   ILE  28           HA       ILE  28  -2.855   1.085   7.646
  189    HB   ILE  28           HB       ILE  28  -5.869   1.425   7.473
  190   1HG1  ILE  28          1HG1      ILE  28  -3.903   3.096   9.114
  191   2HG1  ILE  28          2HG1      ILE  28  -4.102   3.447   7.398
  192   1HG2  ILE  28          1HG2      ILE  28  -4.223   0.671   9.856
  193   2HG2  ILE  28          2HG2      ILE  28  -5.870   1.379   9.970
  194   3HG2  ILE  28          3HG2      ILE  28  -5.640  -0.159   9.168
  195   1HD1  ILE  28          1HD1      ILE  28  -5.559   4.885   8.669
  196   2HD1  ILE  28          2HD1      ILE  28  -6.542   3.752   7.723
  197   3HD1  ILE  28          3HD1      ILE  28  -6.330   3.502   9.464
  198    H    LEU  29           H        LEU  29  -5.640  -0.485   6.251
  199    HA   LEU  29           HA       LEU  29  -5.622  -2.593   8.104
  200   1HB   LEU  29          1HB       LEU  29  -7.746  -2.766   7.539
  201   2HB   LEU  29          2HB       LEU  29  -7.498  -1.593   6.292
  202    HG   LEU  29           HG       LEU  29  -6.673  -3.476   4.877
  203   1HD1  LEU  29          1HD1      LEU  29  -8.405  -5.099   6.828
  204   2HD1  LEU  29          2HD1      LEU  29  -7.715  -5.714   5.314
  205   3HD1  LEU  29          3HD1      LEU  29  -6.661  -5.290   6.667
  206   1HD2  LEU  29          1HD2      LEU  29  -9.625  -3.223   5.600
  207   2HD2  LEU  29          2HD2      LEU  29  -8.729  -2.260   4.412
  208   3HD2  LEU  29          3HD2      LEU  29  -9.015  -3.983   4.114
  209    H    CYS  30           H        CYS  30  -4.547  -2.192   4.857
  210    HA   CYS  30           HA       CYS  30  -3.252  -4.862   4.719
  211   1HB   CYS  30          1HB       CYS  30  -3.215  -2.682   2.617
  212   2HB   CYS  30          2HB       CYS  30  -2.854  -4.385   2.435
  213    H    ASP  31           H        ASP  31  -2.339  -1.875   6.095
  214    HA   ASP  31           HA       ASP  31  -0.332  -1.005   6.645
  215   1HB   ASP  31          1HB       ASP  31   0.711  -3.836   6.155
  216   2HB   ASP  31          2HB       ASP  31   1.537  -2.557   7.027
  217    HD2  ASP  31           HD2      ASP  31  -1.614  -4.479   8.740
  218    H    CYS  32           H        CYS  32  -1.006  -0.262   4.213
  219    HA   CYS  32           HA       CYS  32   1.621  -0.094   2.677
  220   1HB   CYS  32          1HB       CYS  32  -0.998   0.867   1.526
  221   2HB   CYS  32          2HB       CYS  32   0.528   0.674   0.758
  222    H    ILE  33           H        ILE  33   2.244   2.139   1.906
  223    HA   ILE  33           HA       ILE  33   1.645   4.113   4.103
  224    HB   ILE  33           HB       ILE  33   4.113   4.527   4.123
  225   1HG1  ILE  33          1HG1      ILE  33   4.373   1.915   2.588
  226   2HG1  ILE  33          2HG1      ILE  33   4.484   3.491   1.795
  227   1HG2  ILE  33          1HG2      ILE  33   2.977   3.142   5.819
  228   2HG2  ILE  33          2HG2      ILE  33   3.304   1.695   4.853
  229   3HG2  ILE  33          3HG2      ILE  33   4.636   2.637   5.548
  230   1HD1  ILE  33          1HD1      ILE  33   6.297   2.551   4.052
  231   2HD1  ILE  33          2HD1      ILE  33   6.697   2.574   2.327
  232   3HD1  ILE  33          3HD1      ILE  33   6.394   4.091   3.200
  233    H    HIS  34           H        HIS  34   3.362   6.076   3.274
  234    HA   HIS  34           HA       HIS  34   2.868   6.578   0.456
  235   1HB   HIS  34          1HB       HIS  34   1.038   7.779   1.662
  236   2HB   HIS  34          2HB       HIS  34   2.241   8.662   2.603
  237    HD1  HIS  34           HD1      HIS  34   0.387   8.728  -0.605
  238    HD2  HIS  34           HD2      HIS  34   3.959  10.364   0.934
  239    HE1  HIS  34           HE1      HIS  34   1.093  10.620  -2.172
  240    HE2  HIS  34           HE2      HIS  34   3.277  11.607  -1.252
  241    H    VAL  35           H        VAL  35   4.778   6.827  -0.408
  242    HA   VAL  35           HA       VAL  35   7.034   7.982   1.193
  243    HB   VAL  35           HB       VAL  35   8.525   7.030  -0.286
  244   1HG1  VAL  35          1HG1      VAL  35   6.819   4.894   0.876
  245   2HG1  VAL  35          2HG1      VAL  35   8.539   4.808   0.448
  246   3HG1  VAL  35          3HG1      VAL  35   8.038   5.902   1.740
  247   1HG2  VAL  35          1HG2      VAL  35   7.591   6.629  -2.375
  248   2HG2  VAL  35          2HG2      VAL  35   7.878   5.016  -1.691
  249   3HG2  VAL  35          3HG2      VAL  35   6.246   5.658  -1.683
  250    H    THR  36           H        THR  36   8.231   9.509   0.410
  251    HA   THR  36           HA       THR  36   7.936  10.329  -2.402
  252    HB   THR  36           HB       THR  36   8.741  12.597  -1.876
  253    HG1  THR  36           HG1      THR  36   8.196  11.884   0.818
  254   1HG2  THR  36          1HG2      THR  36   6.579  13.450  -1.121
  255   2HG2  THR  36          2HG2      THR  36   6.324  12.057  -2.195
  256   3HG2  THR  36          3HG2      THR  36   6.145  11.870  -0.440
  257    H    THR  37           H        THR  37   9.130   8.100  -1.592
  258    HA   THR  37           HA       THR  37  11.751   8.182  -0.854
  259    HB   THR  37           HB       THR  37  11.826   5.928  -1.890
  260    HG1  THR  37           HG1      THR  37   9.875   5.016  -2.165
  261   1HG2  THR  37          1HG2      THR  37  10.738   4.947   0.059
  262   2HG2  THR  37          2HG2      THR  37  12.006   6.119   0.380
  263   3HG2  THR  37          3HG2      THR  37  10.339   6.596   0.614
  264    H    THR  38           H        THR  38  13.100   7.119  -2.494
  265    HA   THR  38           HA       THR  38  13.532   8.017  -5.233
  266    HB   THR  38           HB       THR  38  14.918   5.911  -5.238
  267    HG1  THR  38           HG1      THR  38  15.300   4.902  -3.266
  268   1HG2  THR  38          1HG2      THR  38  15.532   7.829  -2.953
  269   2HG2  THR  38          2HG2      THR  38  16.692   6.762  -3.766
  270   3HG2  THR  38          3HG2      THR  38  15.934   8.093  -4.659
  271    H    THR  39           H        THR  39  12.095   4.995  -3.658
  272    HA   THR  39           HA       THR  39  10.251   4.302  -5.679
  273    HB   THR  39           HB       THR  39  12.422   2.481  -5.087
  274    HG1  THR  39           HG1      THR  39  12.799   4.448  -7.080
  275   1HG2  THR  39          1HG2      THR  39  12.046   1.740  -7.460
  276   2HG2  THR  39          2HG2      THR  39  10.580   1.688  -6.458
  277   3HG2  THR  39          3HG2      THR  39  10.824   3.035  -7.598
  278    H    CYS  40           H        CYS  40   9.541   2.169  -4.987
  279    HA   CYS  40           HA       CYS  40   8.568   2.263  -2.386
  280   1HB   CYS  40          1HB       CYS  40   8.558  -0.040  -4.377
  281   2HB   CYS  40          2HB       CYS  40   7.755  -0.121  -2.818
  282    HA   PRO  41           HA       PRO  41  12.293   1.060  -0.358
  283   1HB   PRO  41          1HB       PRO  41  11.532   1.382   2.229
  284   2HB   PRO  41          2HB       PRO  41  11.586   2.733   1.082
  285   1HG   PRO  41          1HG       PRO  41   9.146   1.078   1.805
  286   2HG   PRO  41          2HG       PRO  41   9.316   2.860   1.841
  287   1HD   PRO  41          1HD       PRO  41   8.246   1.680  -0.334
  288   2HD   PRO  41          2HD       PRO  41   9.409   3.026  -0.494
  289    H    SER  42           H        SER  42  13.115  -0.256   1.367
  290    HA   SER  42           HA       SER  42  12.650  -3.062   1.232
  291   1HB   SER  42          1HB       SER  42  13.904  -1.288   3.368
  292   2HB   SER  42          2HB       SER  42  14.014  -3.061   3.320
  293    HG   SER  42           HG       SER  42  15.840  -2.047   2.366
  294    H    SER  43           H        SER  43  11.236  -0.431   3.254
  295    HA   SER  43           HA       SER  43  10.140  -2.069   5.313
  296   1HB   SER  43          2HB       SER  43   9.567   0.658   4.362
  297   2HB   SER  43          1HB       SER  43   8.972  -0.024   5.868
  298    HG   SER  43           HG       SER  43  11.163  -0.290   6.505
  299    H    HIS  44           H        HIS  44   9.243  -1.107   2.140
  300    HA   HIS  44           HA       HIS  44   6.591  -2.496   2.180
  301   1HB   HIS  44          1HB       HIS  44   6.872   0.470   1.800
  302   2HB   HIS  44          2HB       HIS  44   5.472  -0.473   1.303
  303    HD1  HIS  44           HD1      HIS  44   7.295   0.571   4.496
  304    HD2  HIS  44           HD2      HIS  44   3.784  -1.362   3.231
  305    HE1  HIS  44           HE1      HIS  44   5.872   0.171   6.578
  306    HE2  HIS  44           HE2      HIS  44   3.709  -0.994   5.821
  307    HA   PRO  45           HA       PRO  45   9.368  -2.866  -1.520
  308   1HB   PRO  45          1HB       PRO  45   8.870  -5.536  -2.135
  309   2HB   PRO  45          2HB       PRO  45  10.057  -4.935  -0.952
  310   1HG   PRO  45          1HG       PRO  45   7.211  -5.830  -0.421
  311   2HG   PRO  45          2HG       PRO  45   8.700  -6.348   0.428
  312   1HD   PRO  45          1HD       PRO  45   7.180  -4.431   1.493
  313   2HD   PRO  45          2HD       PRO  45   8.943  -4.176   1.456
  314    H    SER  46           H        SER  46   5.812  -3.730  -1.513
  315    HA   SER  46           HA       SER  46   5.823  -3.828  -4.462
  316   1HB   SER  46          1HB       SER  46   4.520  -5.476  -3.356
  317   2HB   SER  46          2HB       SER  46   3.718  -4.283  -2.336
  318    HG   SER  46           HG       SER  46   3.568  -4.527  -5.171
  319    HXT  SER  46           HO        OH  47   3.988  -0.877  -5.104
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1   2.363   9.203  -3.769
    2   2H    LYS   1          2H        LYS   1   3.789   9.623  -3.064
    3   3H    LYS   1          3H        LYS   1   3.635   9.671  -4.710
    4    HA   LYS   1           HA       LYS   1   3.332   7.356  -4.812
    5   1HB   LYS   1          1HB       LYS   1   5.699   8.670  -4.571
    6   2HB   LYS   1          2HB       LYS   1   5.862   7.546  -3.231
    7   1HG   LYS   1          1HG       LYS   1   5.399   6.837  -6.156
    8   2HG   LYS   1          2HG       LYS   1   6.901   6.731  -5.240
    9   1HD   LYS   1          1HD       LYS   1   5.557   5.088  -3.666
   10   2HD   LYS   1          2HD       LYS   1   4.410   5.023  -5.018
   11   1HE   LYS   1          1HE       LYS   1   5.925   3.172  -5.290
   12   2HE   LYS   1          2HE       LYS   1   6.361   4.367  -6.528
   13   1HZ   LYS   1          1HZ       LYS   1   7.708   3.989  -3.956
   14   2HZ   LYS   1          2HZ       LYS   1   8.252   3.469  -5.425
   15   3HZ   LYS   1          3HZ       LYS   1   8.132   5.084  -5.112
   16    H    SER   2           H        SER   2   2.741   5.468  -3.847
   17    HA   SER   2           HA       SER   2   2.705   5.082  -0.893
   18   1HB   SER   2          1HB       SER   2   0.254   5.048  -2.727
   19   2HB   SER   2          2HB       SER   2   0.301   4.398  -1.080
   20    HG   SER   2           HG       SER   2  -0.489   6.531  -1.145
   21    H    CYS   3           H        CYS   3   3.600   3.181  -0.535
   22    HA   CYS   3           HA       CYS   3   3.629   1.208  -2.743
   23   1HB   CYS   3          1HB       CYS   3   5.789   2.409  -2.366
   24   2HB   CYS   3          2HB       CYS   3   5.892   1.611  -0.795
   25    H    CYS   4           H        CYS   4   3.523  -1.123  -2.015
   26    HA   CYS   4           HA       CYS   4   2.269  -1.445   0.641
   27   1HB   CYS   4          1HB       CYS   4   2.052  -2.880  -2.025
   28   2HB   CYS   4          2HB       CYS   4   1.461  -3.544  -0.559
   29    H    ARG   5           H        ARG   5   2.552  -3.137   1.719
   30    HA   ARG   5           HA       ARG   5   5.127  -3.809   2.312
   31   1HB   ARG   5          1HB       ARG   5   3.416  -3.529   3.968
   32   2HB   ARG   5          2HB       ARG   5   2.315  -4.629   3.127
   33   1HG   ARG   5          1HG       ARG   5   2.907  -5.719   5.061
   34   2HG   ARG   5          2HG       ARG   5   3.738  -6.538   3.743
   35   1HD   ARG   5          1HD       ARG   5   5.366  -6.234   5.571
   36   2HD   ARG   5          2HD       ARG   5   5.809  -5.094   4.280
   37    HE   ARG   5           HE       ARG   5   4.051  -3.764   6.042
   38   1HH1  ARG   5          1HH1      ARG   5   7.354  -5.090   6.147
   39   2HH1  ARG   5          2HH1      ARG   5   7.891  -3.941   7.349
   40   1HH2  ARG   5          1HH2      ARG   5   4.791  -2.266   7.584
   41   2HH2  ARG   5          2HH2      ARG   5   6.446  -2.332   8.148
   42    H    ASN   6           H        ASN   6   2.975  -5.351   0.156
   43    HA   ASN   6           HA       ASN   6   4.788  -6.753  -1.117
   44   1HB   ASN   6          1HB       ASN   6   3.673  -9.188  -0.598
   45   2HB   ASN   6          2HB       ASN   6   5.162  -8.621   0.125
   46   1HD2  ASN   6          2HD2      ASN   6   1.818  -7.635   1.046
   47   2HD2  ASN   6          1HD2      ASN   6   1.927  -8.269   2.677
   48    H    THR   7           H        THR   7   3.828  -8.245  -2.624
   49    HA   THR   7           HA       THR   7   1.932  -6.788  -4.253
   50    HB   THR   7           HB       THR   7   3.063  -9.483  -4.462
   51    HG1  THR   7           HG1      THR   7   4.363  -8.427  -6.038
   52   1HG2  THR   7          1HG2      THR   7   2.296  -9.150  -6.887
   53   2HG2  THR   7          2HG2      THR   7   0.972  -9.347  -5.712
   54   3HG2  THR   7          3HG2      THR   7   1.404  -7.714  -6.296
   55    H    LEU   8           H        LEU   8   1.797  -9.325  -1.850
   56    HA   LEU   8           HA       LEU   8  -0.900 -10.162  -1.898
   57   1HB   LEU   8          1HB       LEU   8   1.456 -10.482  -0.375
   58   2HB   LEU   8          2HB       LEU   8   0.569  -9.564   0.694
   59    HG   LEU   8           HG       LEU   8  -0.391 -12.242  -0.344
   60   1HD1  LEU   8          1HD2      LEU   8  -0.041 -12.918   2.020
   61   2HD1  LEU   8          2HD2      LEU   8   1.464 -12.305   1.315
   62   3HD1  LEU   8          3HD2      LEU   8   0.518 -11.281   2.412
   63   1HD2  LEU   8          1HD1      LEU   8  -2.230 -11.913   1.367
   64   2HD2  LEU   8          2HD1      LEU   8  -1.695 -10.228   1.557
   65   3HD2  LEU   8          3HD1      LEU   8  -2.342 -10.796   0.003
   66    H    ALA   9           H        ALA   9   0.826  -7.561  -0.461
   67    HA   ALA   9           HA       ALA   9  -1.450  -6.591   1.169
   68   1HB   ALA   9          1HB       ALA   9   0.611  -6.170   2.102
   69   2HB   ALA   9          2HB       ALA   9   1.177  -5.314   0.637
   70   3HB   ALA   9          3HB       ALA   9  -0.094  -4.603   1.621
   71    H    ARG  10           H        ARG  10   0.150  -5.664  -1.740
   72    HA   ARG  10           HA       ARG  10  -1.261  -3.490  -2.756
   73   1HB   ARG  10          1HB       ARG  10   0.956  -4.220  -3.388
   74   2HB   ARG  10          2HB       ARG  10   0.312  -5.809  -3.745
   75   1HG   ARG  10          1HG       ARG  10   0.950  -4.593  -5.784
   76   2HG   ARG  10          2HG       ARG  10  -0.737  -5.125  -5.749
   77   1HD   ARG  10          1HD       ARG  10  -0.527  -2.878  -6.502
   78   2HD   ARG  10          2HD       ARG  10  -1.447  -2.993  -4.963
   79    HE   ARG  10           HE       ARG  10   1.200  -2.417  -4.270
   80   1HH1  ARG  10          1HH1      ARG  10  -1.459  -0.684  -5.864
   81   2HH1  ARG  10          2HH1      ARG  10  -0.903   0.876  -5.301
   82   1HH2  ARG  10          1HH2      ARG  10   1.938  -0.399  -3.636
   83   2HH2  ARG  10          2HH2      ARG  10   1.024   1.040  -4.027
   84    H    ASN  11           H        ASN  11  -1.762  -6.937  -2.889
   85    HA   ASN  11           HA       ASN  11  -4.068  -6.809  -4.730
   86   1HB   ASN  11          1HB       ASN  11  -3.058  -9.084  -2.987
   87   2HB   ASN  11          2HB       ASN  11  -4.486  -9.185  -4.018
   88   1HD2  ASN  11          2HD2      ASN  11  -2.405 -10.961  -4.370
   89   2HD2  ASN  11          1HD2      ASN  11  -1.603 -10.629  -5.890
   90    H    CYS  12           H        CYS  12  -3.800  -7.393  -1.190
   91    HA   CYS  12           HA       CYS  12  -6.386  -7.031  -0.330
   92   1HB   CYS  12          1HB       CYS  12  -4.702  -7.771   1.167
   93   2HB   CYS  12          2HB       CYS  12  -3.703  -6.361   0.891
   94    H    TYR  13           H        TYR  13  -3.979  -4.595  -1.021
   95    HA   TYR  13           HA       TYR  13  -5.537  -2.332  -0.260
   96   1HB   TYR  13          1HB       TYR  13  -3.147  -2.224  -0.301
   97   2HB   TYR  13          2HB       TYR  13  -3.088  -2.650  -2.004
   98    HD1  TYR  13           HD1      TYR  13  -3.585  -1.029  -3.787
   99    HD2  TYR  13           HD2      TYR  13  -3.369   0.089   0.375
  100    HE1  TYR  13           HE1      TYR  13  -3.264   1.344  -4.444
  101    HE2  TYR  13           HE2      TYR  13  -3.015   2.456  -0.274
  102    HH   TYR  13           HH       TYR  13  -2.813   3.958  -2.018
  103    H    ASN  14           H        ASN  14  -4.985  -3.721  -3.479
  104    HA   ASN  14           HA       ASN  14  -6.672  -1.878  -4.931
  105   1HB   ASN  14          1HB       ASN  14  -5.679  -4.685  -5.610
  106   2HB   ASN  14          2HB       ASN  14  -6.506  -3.617  -6.743
  107   1HD2  ASN  14          2HD2      ASN  14  -3.739  -4.789  -6.850
  108   2HD2  ASN  14          1HD2      ASN  14  -2.682  -3.405  -7.068
  109    H    ALA  15           H        ALA  15  -7.127  -4.787  -3.122
  110    HA   ALA  15           HA       ALA  15  -9.882  -5.281  -3.906
  111   1HB   ALA  15          1HB       ALA  15  -9.871  -6.896  -2.043
  112   2HB   ALA  15          2HB       ALA  15  -8.459  -7.137  -3.099
  113   3HB   ALA  15          3HB       ALA  15  -8.286  -6.316  -1.528
  114    H    CYS  16           H        CYS  16  -8.243  -3.571  -1.097
  115    HA   CYS  16           HA       CYS  16 -10.747  -3.099   0.247
  116   1HB   CYS  16          1HB       CYS  16  -8.999  -2.901   1.683
  117   2HB   CYS  16          2HB       CYS  16  -7.892  -2.234   0.496
  118    H    ARG  17           H        ARG  17  -8.917  -1.667  -2.369
  119    HA   ARG  17           HA       ARG  17 -10.336   0.836  -2.543
  120   1HB   ARG  17          2HB       ARG  17  -7.961   0.316  -3.429
  121   2HB   ARG  17          1HB       ARG  17  -8.748  -0.588  -4.712
  122   1HG   ARG  17          1HG       ARG  17  -8.274   1.416  -5.721
  123   2HG   ARG  17          2HG       ARG  17  -9.961   1.668  -5.261
  124   1HD   ARG  17          1HD       ARG  17  -7.475   2.622  -3.744
  125   2HD   ARG  17          2HD       ARG  17  -8.457   3.632  -4.800
  126    HE   ARG  17           HE       ARG  17  -9.173   2.486  -2.150
  127   1HH1  ARG  17          1HH1      ARG  17 -10.129   4.741  -4.758
  128   2HH1  ARG  17          2HH1      ARG  17 -11.556   5.265  -3.899
  129   1HH2  ARG  17          1HH2      ARG  17 -11.048   3.182  -1.106
  130   2HH2  ARG  17          2HH2      ARG  17 -12.060   4.414  -1.830
  131    H    PHE  18           H        PHE  18 -10.726  -2.411  -3.921
  132    HA   PHE  18           HA       PHE  18 -13.017  -1.919  -5.549
  133   1HB   PHE  18          1HB       PHE  18 -11.510  -4.077  -5.271
  134   2HB   PHE  18          2HB       PHE  18 -12.584  -4.502  -3.995
  135    HD1  PHE  18           HD1      PHE  18 -14.996  -4.966  -4.355
  136    HD2  PHE  18           HD2      PHE  18 -12.301  -4.142  -7.639
  137    HE1  PHE  18           HE1      PHE  18 -16.650  -5.901  -5.956
  138    HE2  PHE  18           HE2      PHE  18 -13.963  -5.083  -9.231
  139    HZ   PHE  18           HZ       PHE  18 -16.144  -5.963  -8.394
  140    H    THR  19           H        THR  19 -12.668  -3.146  -2.160
  141    HA   THR  19           HA       THR  19 -15.375  -3.318  -1.615
  142    HB   THR  19           HB       THR  19 -14.733  -3.772   0.593
  143    HG1  THR  19           HG1      THR  19 -12.726  -3.332   1.414
  144   1HG2  THR  19          1HG2      THR  19 -13.428  -5.109  -1.577
  145   2HG2  THR  19          2HG2      THR  19 -12.333  -5.059  -0.179
  146   3HG2  THR  19          3HG2      THR  19 -13.950  -5.742  -0.026
  147    H    GLY  20           H        GLY  20 -14.155  -0.278  -2.091
  148   1HA   GLY  20          1HA       GLY  20 -15.124   1.759  -1.614
  149   2HA   GLY  20          2HA       GLY  20 -16.312   0.996  -0.548
  150    H    GLY  21           H        GLY  21 -13.679  -0.375   0.674
  151   1HA   GLY  21          1HA       GLY  21 -12.931   1.096   2.881
  152   2HA   GLY  21          2HA       GLY  21 -12.022  -0.167   2.032
  153    H    SER  22           H        SER  22 -12.099   3.006   2.737
  154    HA   SER  22           HA       SER  22 -11.296   4.480   0.597
  155   1HB   SER  22          2HB       SER  22 -10.765   5.042   3.424
  156   2HB   SER  22          1HB       SER  22 -10.878   6.187   2.111
  157    HG   SER  22           HG       SER  22 -13.073   5.541   1.846
  158    H    GLN  23           H        GLN  23  -9.395   5.588   0.783
  159    HA   GLN  23           HA       GLN  23  -7.133   3.973  -0.107
  160   1HB   GLN  23          1HB       GLN  23  -7.020   6.992   0.291
  161   2HB   GLN  23          2HB       GLN  23  -5.962   5.966  -0.676
  162   1HG   GLN  23          1HG       GLN  23  -7.987   5.307  -2.046
  163   2HG   GLN  23          2HG       GLN  23  -8.922   6.525  -1.163
  164   1HE2  GLN  23          2HE2      GLN  23  -7.818   8.813  -1.128
  165   2HE2  GLN  23          1HE2      GLN  23  -7.183   9.354  -2.666
  166    HA   PRO  24           HA       PRO  24  -5.277   5.260   4.177
  167   1HB   PRO  24          1HB       PRO  24  -7.997   5.679   5.568
  168   2HB   PRO  24          2HB       PRO  24  -6.464   6.389   5.981
  169   1HG   PRO  24          1HG       PRO  24  -8.344   7.831   4.631
  170   2HG   PRO  24          2HG       PRO  24  -6.682   7.884   3.960
  171   1HD   PRO  24          2HD       PRO  24  -8.857   5.879   3.303
  172   2HD   PRO  24          1HD       PRO  24  -8.177   6.983   2.153
  173    H    THR  25           H        THR  25  -8.496   3.941   4.398
  174    HA   THR  25           HA       THR  25  -7.935   1.849   6.242
  175    HB   THR  25           HB       THR  25  -9.897   2.075   4.086
  176    HG1  THR  25           HG1      THR  25 -11.309   2.376   5.870
  177   1HG2  THR  25          1HG2      THR  25 -11.097   0.084   5.238
  178   2HG2  THR  25          2HG2      THR  25  -9.602  -0.364   4.436
  179   3HG2  THR  25          3HG2      THR  25  -9.609  -0.115   6.188
  180    H    CYS  26           H        CYS  26  -7.393   1.957   2.812
  181    HA   CYS  26           HA       CYS  26  -6.578  -0.832   2.611
  182   1HB   CYS  26          1HB       CYS  26  -5.871   1.437   0.674
  183   2HB   CYS  26          2HB       CYS  26  -5.845  -0.290   0.363
  184    H    GLY  27           H        GLY  27  -4.764   2.189   2.607
  185   1HA   GLY  27          1HA       GLY  27  -2.258   0.932   2.935
  186   2HA   GLY  27          2HA       GLY  27  -2.605   2.625   3.338
  187    H    ILE  28           H        ILE  28  -4.758   1.395   5.301
  188    HA   ILE  28           HA       ILE  28  -2.906   0.849   7.475
  189    HB   ILE  28           HB       ILE  28  -5.931   1.035   7.348
  190   1HG1  ILE  28          1HG1      ILE  28  -4.019   2.857   8.914
  191   2HG1  ILE  28          2HG1      ILE  28  -4.295   3.173   7.206
  192   1HG2  ILE  28          1HG2      ILE  28  -5.518  -0.505   9.079
  193   2HG2  ILE  28          2HG2      ILE  28  -4.163   0.450   9.710
  194   3HG2  ILE  28          3HG2      ILE  28  -5.846   1.030   9.861
  195   1HD1  ILE  28          1HD1      ILE  28  -6.740   3.297   7.604
  196   2HD1  ILE  28          2HD1      ILE  28  -6.459   3.104   9.342
  197   3HD1  ILE  28          3HD1      ILE  28  -5.815   4.527   8.485
  198    H    LEU  29           H        LEU  29  -5.632  -0.822   6.030
  199    HA   LEU  29           HA       LEU  29  -5.421  -2.968   7.937
  200   1HB   LEU  29          1HB       LEU  29  -6.921  -2.947   5.278
  201   2HB   LEU  29          2HB       LEU  29  -7.022  -4.252   6.467
  202    HG   LEU  29           HG       LEU  29  -7.800  -1.384   6.952
  203   1HD1  LEU  29          1HD2      LEU  29 -10.160  -2.288   6.896
  204   2HD1  LEU  29          2HD2      LEU  29  -9.317  -2.576   5.362
  205   3HD1  LEU  29          3HD2      LEU  29  -9.513  -3.897   6.529
  206   1HD2  LEU  29          1HD1      LEU  29  -7.185  -2.383   9.101
  207   2HD2  LEU  29          2HD1      LEU  29  -8.942  -2.287   9.012
  208   3HD2  LEU  29          3HD1      LEU  29  -8.132  -3.842   8.735
  209    H    CYS  30           H        CYS  30  -4.552  -2.380   4.677
  210    HA   CYS  30           HA       CYS  30  -3.071  -4.920   4.291
  211   1HB   CYS  30          1HB       CYS  30  -3.126  -2.563   2.396
  212   2HB   CYS  30          2HB       CYS  30  -2.736  -4.225   2.081
  213    H    ASP  31           H        ASP  31  -2.309  -1.975   5.855
  214    HA   ASP  31           HA       ASP  31  -0.359  -0.984   6.438
  215   1HB   ASP  31          1HB       ASP  31   0.814  -3.757   5.916
  216   2HB   ASP  31          2HB       ASP  31   1.591  -2.455   6.797
  217    HD2  ASP  31           HD2      ASP  31  -1.167  -4.582   6.799
  218    H    CYS  32           H        CYS  32  -1.082  -0.316   3.950
  219    HA   CYS  32           HA       CYS  32   1.528  -0.068   2.409
  220   1HB   CYS  32          1HB       CYS  32  -1.148   0.723   1.244
  221   2HB   CYS  32          2HB       CYS  32   0.398   0.632   0.485
  222    H    ILE  33           H        ILE  33   2.331   2.088   1.839
  223    HA   ILE  33           HA       ILE  33   1.599   3.982   4.072
  224    HB   ILE  33           HB       ILE  33   4.048   4.354   4.252
  225   1HG1  ILE  33          1HG1      ILE  33   4.402   1.872   2.522
  226   2HG1  ILE  33          2HG1      ILE  33   4.520   3.494   1.844
  227   1HG2  ILE  33          1HG2      ILE  33   2.808   2.838   5.739
  228   2HG2  ILE  33          2HG2      ILE  33   3.192   1.471   4.678
  229   3HG2  ILE  33          3HG2      ILE  33   4.486   2.342   5.530
  230   1HD1  ILE  33          1HD1      ILE  33   6.388   4.049   3.267
  231   2HD1  ILE  33          2HD1      ILE  33   6.245   2.525   4.150
  232   3HD1  ILE  33          3HD1      ILE  33   6.723   2.512   2.448
  233    H    HIS  34           H        HIS  34   3.473   5.937   3.366
  234    HA   HIS  34           HA       HIS  34   3.042   6.584   0.577
  235   1HB   HIS  34          1HB       HIS  34   1.212   7.809   1.784
  236   2HB   HIS  34          2HB       HIS  34   2.428   8.612   2.781
  237    HD1  HIS  34           HD1      HIS  34   0.706   8.786  -0.514
  238    HD2  HIS  34           HD2      HIS  34   4.198  10.362   1.271
  239    HE1  HIS  34           HE1      HIS  34   1.495  10.733  -1.976
  240    HE2  HIS  34           HE2      HIS  34   3.624  11.692  -0.909
  241    H    VAL  35           H        VAL  35   4.939   6.805  -0.266
  242    HA   VAL  35           HA       VAL  35   7.165   7.944   1.364
  243    HB   VAL  35           HB       VAL  35   8.676   7.051  -0.147
  244   1HG1  VAL  35          1HG1      VAL  35   8.780   4.870   0.596
  245   2HG1  VAL  35          2HG1      VAL  35   8.148   5.873   1.898
  246   3HG1  VAL  35          3HG1      VAL  35   7.039   4.819   0.939
  247   1HG2  VAL  35          1HG2      VAL  35   7.695   6.620  -2.235
  248   2HG2  VAL  35          2HG2      VAL  35   8.094   5.030  -1.557
  249   3HG2  VAL  35          3HG2      VAL  35   6.425   5.584  -1.502
  250    H    THR  36           H        THR  36   8.299   9.500   0.632
  251    HA   THR  36           HA       THR  36   7.983  10.469  -2.136
  252    HB   THR  36           HB       THR  36   8.703  12.726  -1.505
  253    HG1  THR  36           HG1      THR  36   9.644  12.203   0.523
  254   1HG2  THR  36          1HG2      THR  36   6.545  13.482  -0.655
  255   2HG2  THR  36          2HG2      THR  36   6.304  12.145  -1.809
  256   3HG2  THR  36          3HG2      THR  36   6.163  11.845  -0.059
  257    H    THR  37           H        THR  37   9.229   8.230  -1.416
  258    HA   THR  37           HA       THR  37  11.834   8.344  -0.639
  259    HB   THR  37           HB       THR  37  11.984   6.152  -1.780
  260    HG1  THR  37           HG1      THR  37  10.032   5.211  -2.065
  261   1HG2  THR  37          1HG2      THR  37  10.958   5.038   0.118
  262   2HG2  THR  37          2HG2      THR  37  12.171   6.254   0.496
  263   3HG2  THR  37          3HG2      THR  37  10.489   6.637   0.757
  264    H    THR  38           H        THR  38  13.226   7.397  -2.310
  265    HA   THR  38           HA       THR  38  13.623   8.360  -5.033
  266    HB   THR  38           HB       THR  38  15.021   6.279  -5.112
  267    HG1  THR  38           HG1      THR  38  14.454   6.076  -2.362
  268   1HG2  THR  38          1HG2      THR  38  15.684   8.142  -2.788
  269   2HG2  THR  38          2HG2      THR  38  16.826   7.119  -3.679
  270   3HG2  THR  38          3HG2      THR  38  16.019   8.465  -4.506
  271    H    THR  39           H        THR  39  12.310   5.284  -3.495
  272    HA   THR  39           HA       THR  39  10.370   4.587  -5.431
  273    HB   THR  39           HB       THR  39  12.645   2.839  -5.012
  274    HG1  THR  39           HG1      THR  39  12.775   4.833  -7.014
  275   1HG2  THR  39          1HG2      THR  39  10.804   3.310  -7.359
  276   2HG2  THR  39          2HG2      THR  39  12.140   2.126  -7.377
  277   3HG2  THR  39          3HG2      THR  39  10.798   1.917  -6.240
  278    H    CYS  40           H        CYS  40   9.791   2.418  -4.778
  279    HA   CYS  40           HA       CYS  40   8.723   2.175  -2.274
  280   1HB   CYS  40          1HB       CYS  40   9.527   0.161  -4.428
  281   2HB   CYS  40          2HB       CYS  40   8.858  -0.451  -2.940
  282    HA   PRO  41           HA       PRO  41  12.472   1.292   0.138
  283   1HB   PRO  41          1HB       PRO  41  11.401   1.343   2.618
  284   2HB   PRO  41          2HB       PRO  41  11.525   2.802   1.596
  285   1HG   PRO  41          1HG       PRO  41   9.127   0.974   1.917
  286   2HG   PRO  41          2HG       PRO  41   9.168   2.753   2.084
  287   1HD   PRO  41          1HD       PRO  41   8.388   1.622  -0.234
  288   2HD   PRO  41          2HD       PRO  41   9.424   3.063  -0.264
  289    H    SER  42           H        SER  42  13.110  -0.111   1.869
  290    HA   SER  42           HA       SER  42  12.938  -2.907   1.370
  291   1HB   SER  42          1HB       SER  42  13.718  -1.286   3.839
  292   2HB   SER  42          2HB       SER  42  13.990  -3.030   3.639
  293    HG   SER  42           HG       SER  42  15.046  -0.976   1.980
  294    H    SER  43           H        SER  43  11.017  -0.651   3.395
  295    HA   SER  43           HA       SER  43   9.933  -2.792   5.095
  296   1HB   SER  43          2HB       SER  43  10.439  -0.562   5.982
  297   2HB   SER  43          1HB       SER  43   9.131   0.024   4.962
  298    HG   SER  43           HG       SER  43   7.772  -1.527   6.069
  299    H    HIS  44           H        HIS  44   9.221  -1.135   2.191
  300    HA   HIS  44           HA       HIS  44   6.557  -2.510   1.790
  301   1HB   HIS  44          1HB       HIS  44   6.951   0.460   1.579
  302   2HB   HIS  44          2HB       HIS  44   5.552  -0.452   1.035
  303    HD1  HIS  44           HD1      HIS  44   7.378   0.506   4.241
  304    HD2  HIS  44           HD2      HIS  44   3.879  -1.438   2.974
  305    HE1  HIS  44           HE1      HIS  44   6.008   0.017   6.333
  306    HE2  HIS  44           HE2      HIS  44   3.844  -1.165   5.582
  307    HA   PRO  45           HA       PRO  45   9.341  -2.705  -1.893
  308   1HB   PRO  45          1HB       PRO  45   9.016  -5.323  -2.591
  309   2HB   PRO  45          2HB       PRO  45  10.039  -4.799  -1.227
  310   1HG   PRO  45          1HG       PRO  45   7.154  -5.733  -1.094
  311   2HG   PRO  45          2HG       PRO  45   8.537  -6.334  -0.141
  312   1HD   PRO  45          1HD       PRO  45   6.877  -4.439   0.847
  313   2HD   PRO  45          2HD       PRO  45   8.626  -4.325   1.150
  314    H    SER  46           H        SER  46   5.807  -3.696  -1.754
  315    HA   SER  46           HA       SER  46   5.811  -4.127  -4.653
  316   1HB   SER  46          1HB       SER  46   4.605  -5.680  -3.418
  317   2HB   SER  46          2HB       SER  46   3.757  -4.466  -2.474
  318    HG   SER  46           HG       SER  46   2.778  -3.831  -4.496
  319    HXT  SER  46           HO        OH  47   6.215  -2.168  -5.537
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1   1.883   8.784  -4.084
    2   2H    LYS   1          2H        LYS   1   3.216   9.445  -3.372
    3   3H    LYS   1          3H        LYS   1   3.119   9.358  -5.014
    4    HA   LYS   1           HA       LYS   1   3.124   7.033  -4.971
    5   1HB   LYS   1          1HB       LYS   1   5.335   8.710  -4.543
    6   2HB   LYS   1          2HB       LYS   1   5.557   7.435  -3.356
    7   1HG   LYS   1          1HG       LYS   1   5.206   7.041  -6.351
    8   2HG   LYS   1          2HG       LYS   1   6.710   6.972  -5.426
    9   1HD   LYS   1          1HD       LYS   1   5.668   5.062  -4.064
   10   2HD   LYS   1          2HD       LYS   1   4.358   5.048  -5.242
   11   1HE   LYS   1          1HE       LYS   1   5.868   3.384  -6.009
   12   2HE   LYS   1          2HE       LYS   1   6.155   4.769  -7.069
   13   1HZ   LYS   1          1HZ       LYS   1   7.771   4.036  -4.730
   14   2HZ   LYS   1          2HZ       LYS   1   8.173   3.766  -6.302
   15   3HZ   LYS   1          3HZ       LYS   1   8.074   5.306  -5.735
   16    H    SER   2           H        SER   2   2.633   5.181  -3.914
   17    HA   SER   2           HA       SER   2   2.509   4.961  -0.944
   18   1HB   SER   2          1HB       SER   2   0.131   4.640  -2.835
   19   2HB   SER   2          2HB       SER   2   0.162   4.141  -1.138
   20    HG   SER   2           HG       SER   2  -0.750   6.207  -1.408
   21    H    CYS   3           H        CYS   3   3.424   3.169  -0.401
   22    HA   CYS   3           HA       CYS   3   3.811   1.020  -2.424
   23   1HB   CYS   3          1HB       CYS   3   5.611   2.181  -0.296
   24   2HB   CYS   3          2HB       CYS   3   5.980   0.738  -1.236
   25    H    CYS   4           H        CYS   4   3.552  -1.171  -1.721
   26    HA   CYS   4           HA       CYS   4   2.355  -1.618   0.932
   27   1HB   CYS   4          1HB       CYS   4   2.080  -2.904  -1.793
   28   2HB   CYS   4          2HB       CYS   4   1.412  -3.569  -0.347
   29    H    ARG   5           H        ARG   5   2.855  -3.291   2.153
   30    HA   ARG   5           HA       ARG   5   5.540  -4.010   1.799
   31   1HB   ARG   5          1HB       ARG   5   5.564  -5.218   3.826
   32   2HB   ARG   5          2HB       ARG   5   4.924  -3.572   3.949
   33   1HG   ARG   5          1HG       ARG   5   2.590  -4.563   3.990
   34   2HG   ARG   5          2HG       ARG   5   3.349  -6.179   4.031
   35   1HD   ARG   5          1HD       ARG   5   4.724  -5.417   6.000
   36   2HD   ARG   5          2HD       ARG   5   3.889  -3.859   5.953
   37    HE   ARG   5           HE       ARG   5   1.904  -5.876   6.099
   38   1HH1  ARG   5          1HH1      ARG   5   4.461  -4.559   8.213
   39   2HH1  ARG   5          2HH1      ARG   5   3.603  -4.964   9.678
   40   1HH2  ARG   5          1HH2      ARG   5   0.820  -6.363   8.039
   41   2HH2  ARG   5          2HH2      ARG   5   1.539  -5.975   9.584
   42    H    ASN   6           H        ASN   6   3.088  -5.347   0.219
   43    HA   ASN   6           HA       ASN   6   4.800  -6.708  -1.186
   44   1HB   ASN   6          1HB       ASN   6   3.937  -9.155  -0.968
   45   2HB   ASN   6          2HB       ASN   6   5.078  -8.582   0.219
   46   1HD2  ASN   6          2HD2      ASN   6   4.137 -10.544   1.232
   47   2HD2  ASN   6          1HD2      ASN   6   2.756 -10.314   2.302
   48    H    THR   7           H        THR   7   3.785  -8.190  -2.660
   49    HA   THR   7           HA       THR   7   2.019  -6.587  -4.340
   50    HB   THR   7           HB       THR   7   3.118  -9.286  -4.617
   51    HG1  THR   7           HG1      THR   7   4.471  -8.178  -6.123
   52   1HG2  THR   7          1HG2      THR   7   2.430  -8.859  -7.054
   53   2HG2  THR   7          2HG2      THR   7   1.070  -9.076  -5.925
   54   3HG2  THR   7          3HG2      THR   7   1.536  -7.429  -6.447
   55    H    LEU   8           H        LEU   8   1.786  -9.231  -2.038
   56    HA   LEU   8           HA       LEU   8  -0.904 -10.052  -2.251
   57   1HB   LEU   8          1HB       LEU   8   1.386 -10.479  -0.653
   58   2HB   LEU   8          2HB       LEU   8   0.421  -9.638   0.440
   59    HG   LEU   8           HG       LEU   8  -0.460 -12.228  -0.858
   60   1HD1  LEU   8          1HD2      LEU   8  -0.241 -13.076   1.472
   61   2HD1  LEU   8          2HD2      LEU   8   1.306 -12.431   0.892
   62   3HD1  LEU   8          3HD2      LEU   8   0.308 -11.480   2.012
   63   1HD2  LEU   8          1HD1      LEU   8  -1.866 -10.372   1.135
   64   2HD2  LEU   8          2HD1      LEU   8  -2.431 -10.807  -0.491
   65   3HD2  LEU   8          3HD1      LEU   8  -2.386 -12.028   0.782
   66    H    ALA   9           H        ALA   9   0.818  -7.556  -0.619
   67    HA   ALA   9           HA       ALA   9  -1.539  -6.641   0.928
   68   1HB   ALA   9          1HB       ALA   9   0.451  -6.362   2.047
   69   2HB   ALA   9          2HB       ALA   9   1.196  -5.481   0.672
   70   3HB   ALA   9          3HB       ALA   9  -0.110  -4.726   1.604
   71    H    ARG  10           H        ARG  10   0.262  -5.438  -1.758
   72    HA   ARG  10           HA       ARG  10  -1.177  -3.308  -2.766
   73   1HB   ARG  10          1HB       ARG  10   1.049  -4.013  -3.390
   74   2HB   ARG  10          2HB       ARG  10   0.417  -5.599  -3.782
   75   1HG   ARG  10          1HG       ARG  10   1.095  -4.316  -5.782
   76   2HG   ARG  10          2HG       ARG  10  -0.575  -4.902  -5.800
   77   1HD   ARG  10          1HD       ARG  10  -0.374  -2.615  -6.508
   78   2HD   ARG  10          2HD       ARG  10  -1.403  -2.834  -5.046
   79    HE   ARG  10           HE       ARG  10   1.176  -2.151  -4.163
   80   1HH1  ARG  10          1HH1      ARG  10  -1.544  -0.548  -5.811
   81   2HH1  ARG  10          2HH1      ARG  10  -1.175   1.007  -5.107
   82   1HH2  ARG  10          1HH2      ARG  10   1.626  -0.131  -3.287
   83   2HH2  ARG  10          2HH2      ARG  10   0.645   1.256  -3.698
   84    H    ASN  11           H        ASN  11  -1.700  -6.761  -3.050
   85    HA   ASN  11           HA       ASN  11  -3.974  -6.483  -4.899
   86   1HB   ASN  11          1HB       ASN  11  -3.015  -8.885  -3.303
   87   2HB   ASN  11          2HB       ASN  11  -4.423  -8.902  -4.363
   88   1HD2  ASN  11          2HD2      ASN  11  -2.387 -10.678  -4.826
   89   2HD2  ASN  11          1HD2      ASN  11  -1.557 -10.238  -6.305
   90    H    CYS  12           H        CYS  12  -3.778  -7.254  -1.408
   91    HA   CYS  12           HA       CYS  12  -6.371  -6.902  -0.545
   92   1HB   CYS  12          1HB       CYS  12  -4.730  -7.716   0.945
   93   2HB   CYS  12          2HB       CYS  12  -3.679  -6.346   0.693
   94    H    TYR  13           H        TYR  13  -3.938  -4.461  -1.129
   95    HA   TYR  13           HA       TYR  13  -5.554  -2.225  -0.301
   96   1HB   TYR  13          1HB       TYR  13  -3.132  -2.148  -0.240
   97   2HB   TYR  13          2HB       TYR  13  -3.017  -2.441  -1.966
   98    HD1  TYR  13           HD1      TYR  13  -3.537  -0.673  -3.634
   99    HD2  TYR  13           HD2      TYR  13  -3.355   0.103   0.615
  100    HE1  TYR  13           HE1      TYR  13  -3.191   1.738  -4.086
  101    HE2  TYR  13           HE2      TYR  13  -2.999   2.512   0.163
  102    HH   TYR  13           HH       TYR  13  -2.734   4.144  -1.453
  103    H    ASN  14           H        ASN  14  -4.930  -3.532  -3.515
  104    HA   ASN  14           HA       ASN  14  -6.521  -1.602  -4.969
  105   1HB   ASN  14          1HB       ASN  14  -5.623  -4.430  -5.682
  106   2HB   ASN  14          2HB       ASN  14  -6.384  -3.301  -6.803
  107   1HD2  ASN  14          2HD2      ASN  14  -3.676  -4.593  -6.918
  108   2HD2  ASN  14          1HD2      ASN  14  -2.554  -3.258  -7.072
  109    H    ALA  15           H        ALA  15  -7.052  -4.549  -3.240
  110    HA   ALA  15           HA       ALA  15  -9.785  -5.010  -4.050
  111   1HB   ALA  15          1HB       ALA  15  -8.389  -6.878  -3.339
  112   2HB   ALA  15          2HB       ALA  15  -8.226  -6.156  -1.719
  113   3HB   ALA  15          3HB       ALA  15  -9.807  -6.701  -2.280
  114    H    CYS  16           H        CYS  16  -8.206  -3.391  -1.147
  115    HA   CYS  16           HA       CYS  16 -10.769  -3.001   0.153
  116   1HB   CYS  16          1HB       CYS  16  -9.126  -2.910   1.708
  117   2HB   CYS  16          2HB       CYS  16  -7.911  -2.250   0.628
  118    H    ARG  17           H        ARG  17  -8.943  -1.436  -2.392
  119    HA   ARG  17           HA       ARG  17 -10.639   0.969  -2.353
  120   1HB   ARG  17          2HB       ARG  17  -8.091   0.912  -2.871
  121   2HB   ARG  17          1HB       ARG  17  -8.565   0.253  -4.416
  122   1HG   ARG  17          1HG       ARG  17  -8.334   2.483  -4.901
  123   2HG   ARG  17          2HG       ARG  17 -10.069   2.417  -4.589
  124   1HD   ARG  17          1HD       ARG  17  -7.871   3.294  -2.640
  125   2HD   ARG  17          2HD       ARG  17  -8.961   4.381  -3.486
  126    HE   ARG  17           HE       ARG  17  -9.560   2.576  -1.225
  127   1HH1  ARG  17          1HH1      ARG  17 -10.975   4.860  -3.576
  128   2HH1  ARG  17          2HH1      ARG  17 -12.476   4.974  -2.687
  129   1HH2  ARG  17          1HH2      ARG  17 -11.498   2.795  -0.101
  130   2HH2  ARG  17          2HH2      ARG  17 -12.771   3.813  -0.726
  131    H    PHE  18           H        PHE  18 -10.581  -2.191  -3.888
  132    HA   PHE  18           HA       PHE  18 -12.611  -1.734  -5.874
  133   1HB   PHE  18          1HB       PHE  18 -11.138  -3.884  -5.439
  134   2HB   PHE  18          2HB       PHE  18 -12.323  -4.313  -4.269
  135    HD1  PHE  18           HD1      PHE  18 -11.719  -3.957  -7.876
  136    HD2  PHE  18           HD2      PHE  18 -14.662  -4.851  -4.837
  137    HE1  PHE  18           HE1      PHE  18 -13.203  -4.962  -9.601
  138    HE2  PHE  18           HE2      PHE  18 -16.153  -5.820  -6.563
  139    HZ   PHE  18           HZ       PHE  18 -15.430  -5.882  -8.949
  140    H    THR  19           H        THR  19 -12.646  -3.029  -2.501
  141    HA   THR  19           HA       THR  19 -15.413  -3.010  -2.023
  142    HB   THR  19           HB       THR  19 -14.820  -3.400   0.202
  143    HG1  THR  19           HG1      THR  19 -12.453  -2.153  -0.376
  144   1HG2  THR  19          1HG2      THR  19 -13.397  -4.861  -1.898
  145   2HG2  THR  19          2HG2      THR  19 -12.513  -4.867  -0.365
  146   3HG2  THR  19          3HG2      THR  19 -14.185  -5.441  -0.457
  147    H    GLY  20           H        GLY  20 -13.241  -0.318  -2.101
  148   1HA   GLY  20          1HA       GLY  20 -13.645   1.891  -1.979
  149   2HA   GLY  20          2HA       GLY  20 -15.385   1.573  -2.078
  150    H    GLY  21           H        GLY  21 -13.711  -0.136   0.478
  151   1HA   GLY  21          1HA       GLY  21 -14.686   0.995   2.754
  152   2HA   GLY  21          2HA       GLY  21 -13.018   0.421   2.605
  153    H    SER  22           H        SER  22 -11.229   2.095   2.638
  154    HA   SER  22           HA       SER  22 -11.655   4.638   1.555
  155   1HB   SER  22          2HB       SER  22 -10.429   4.298   4.216
  156   2HB   SER  22          1HB       SER  22 -10.948   5.690   3.335
  157    HG   SER  22           HG       SER  22 -13.136   4.990   3.702
  158    H    GLN  23           H        GLN  23  -9.526   5.546   1.291
  159    HA   GLN  23           HA       GLN  23  -7.572   3.615   0.332
  160   1HB   GLN  23          1HB       GLN  23  -8.026   5.679  -0.910
  161   2HB   GLN  23          2HB       GLN  23  -7.296   6.639   0.384
  162   1HG   GLN  23          1HG       GLN  23  -5.142   5.451   0.071
  163   2HG   GLN  23          2HG       GLN  23  -5.887   4.422  -1.166
  164   1HE2  GLN  23          2HE2      GLN  23  -3.892   5.340  -2.335
  165   2HE2  GLN  23          1HE2      GLN  23  -4.124   6.835  -3.222
  166    HA   PRO  24           HA       PRO  24  -5.263   5.096   4.407
  167   1HB   PRO  24          1HB       PRO  24  -7.934   5.590   5.869
  168   2HB   PRO  24          2HB       PRO  24  -6.349   6.204   6.286
  169   1HG   PRO  24          1HG       PRO  24  -8.097   7.799   4.960
  170   2HG   PRO  24          2HG       PRO  24  -6.443   7.691   4.264
  171   1HD   PRO  24          1HD       PRO  24  -8.850   5.973   3.591
  172   2HD   PRO  24          2HD       PRO  24  -7.940   6.953   2.446
  173    H    THR  25           H        THR  25  -8.454   3.807   4.800
  174    HA   THR  25           HA       THR  25  -7.921   1.597   6.488
  175    HB   THR  25           HB       THR  25  -9.900   2.011   4.381
  176    HG1  THR  25           HG1      THR  25 -10.124   1.742   7.174
  177   1HG2  THR  25          1HG2      THR  25 -11.098  -0.094   5.140
  178   2HG2  THR  25          2HG2      THR  25  -9.563  -0.457   4.369
  179   3HG2  THR  25          3HG2      THR  25  -9.658  -0.464   6.129
  180    H    CYS  26           H        CYS  26  -7.422   1.868   3.051
  181    HA   CYS  26           HA       CYS  26  -6.574  -0.903   2.734
  182   1HB   CYS  26          1HB       CYS  26  -5.842   1.430   0.887
  183   2HB   CYS  26          2HB       CYS  26  -5.832  -0.283   0.520
  184    H    GLY  27           H        GLY  27  -4.765   2.105   2.770
  185   1HA   GLY  27          1HA       GLY  27  -2.227   0.958   3.115
  186   2HA   GLY  27          2HA       GLY  27  -2.654   2.609   3.576
  187    H    ILE  28           H        ILE  28  -4.753   1.198   5.491
  188    HA   ILE  28           HA       ILE  28  -2.861   0.600   7.633
  189    HB   ILE  28           HB       ILE  28  -5.886   0.771   7.553
  190   1HG1  ILE  28          1HG1      ILE  28  -3.988   2.556   9.183
  191   2HG1  ILE  28          2HG1      ILE  28  -4.253   2.925   7.485
  192   1HG2  ILE  28          1HG2      ILE  28  -5.461  -0.825   9.225
  193   2HG2  ILE  28          2HG2      ILE  28  -4.122   0.134   9.895
  194   3HG2  ILE  28          3HG2      ILE  28  -5.818   0.676  10.055
  195   1HD1  ILE  28          1HD1      ILE  28  -6.421   2.779   9.603
  196   2HD1  ILE  28          2HD1      ILE  28  -5.796   4.228   8.786
  197   3HD1  ILE  28          3HD1      ILE  28  -6.703   3.012   7.867
  198    H    LEU  29           H        LEU  29  -5.580  -1.026   6.127
  199    HA   LEU  29           HA       LEU  29  -5.366  -3.264   7.912
  200   1HB   LEU  29          1HB       LEU  29  -6.810  -3.105   5.224
  201   2HB   LEU  29          2HB       LEU  29  -6.903  -4.501   6.299
  202    HG   LEU  29           HG       LEU  29  -7.775  -1.700   6.985
  203   1HD1  LEU  29          1HD1      LEU  29  -9.227  -2.803   5.279
  204   2HD1  LEU  29          2HD1      LEU  29  -9.398  -4.221   6.339
  205   3HD1  LEU  29          3HD1      LEU  29 -10.097  -2.664   6.820
  206   1HD2  LEU  29          1HD2      LEU  29  -8.075  -4.288   8.579
  207   2HD2  LEU  29          2HD2      LEU  29  -7.167  -2.841   9.067
  208   3HD2  LEU  29          3HD2      LEU  29  -8.921  -2.778   8.957
  209    H    CYS  30           H        CYS  30  -4.535  -2.569   4.663
  210    HA   CYS  30           HA       CYS  30  -2.890  -4.980   4.192
  211   1HB   CYS  30          1HB       CYS  30  -2.970  -2.527   2.440
  212   2HB   CYS  30          2HB       CYS  30  -2.552  -4.170   2.023
  213    H    ASP  31           H        ASP  31  -2.268  -2.117   5.948
  214    HA   ASP  31           HA       ASP  31  -0.454  -1.081   6.665
  215   1HB   ASP  31          1HB       ASP  31   0.100  -3.667   7.049
  216   2HB   ASP  31          2HB       ASP  31   1.350  -3.367   5.857
  217    HD2  ASP  31           HD2      ASP  31   3.326  -1.460   8.062
  218    H    CYS  32           H        CYS  32  -1.129  -0.441   4.021
  219    HA   CYS  32           HA       CYS  32   1.516  -0.141   2.559
  220   1HB   CYS  32          1HB       CYS  32  -1.136   0.751   1.413
  221   2HB   CYS  32          2HB       CYS  32   0.411   0.639   0.650
  222    H    ILE  33           H        ILE  33   2.306   2.054   1.919
  223    HA   ILE  33           HA       ILE  33   1.652   4.008   4.112
  224    HB   ILE  33           HB       ILE  33   4.103   4.417   4.194
  225   1HG1  ILE  33          1HG1      ILE  33   4.432   1.844   2.622
  226   2HG1  ILE  33          2HG1      ILE  33   4.502   3.416   1.822
  227   1HG2  ILE  33          1HG2      ILE  33   2.944   2.979   5.809
  228   2HG2  ILE  33          2HG2      ILE  33   3.268   1.566   4.795
  229   3HG2  ILE  33          3HG2      ILE  33   4.610   2.454   5.539
  230   1HD1  ILE  33          1HD1      ILE  33   6.411   4.088   3.164
  231   2HD1  ILE  33          2HD1      ILE  33   6.330   2.602   4.118
  232   3HD1  ILE  33          3HD1      ILE  33   6.738   2.521   2.398
  233    H    HIS  34           H        HIS  34   3.485   5.942   3.250
  234    HA   HIS  34           HA       HIS  34   2.936   6.494   0.468
  235   1HB   HIS  34          1HB       HIS  34   1.082   7.676   1.671
  236   2HB   HIS  34          2HB       HIS  34   2.271   8.556   2.627
  237    HD1  HIS  34           HD1      HIS  34   0.430   8.633  -0.584
  238    HD2  HIS  34           HD2      HIS  34   3.991  10.291   0.977
  239    HE1  HIS  34           HE1      HIS  34   1.130  10.541  -2.134
  240    HE2  HIS  34           HE2      HIS  34   3.297  11.546  -1.206
  241    H    VAL  35           H        VAL  35   4.794   6.862  -0.437
  242    HA   VAL  35           HA       VAL  35   7.030   7.987   1.193
  243    HB   VAL  35           HB       VAL  35   8.527   7.094  -0.309
  244   1HG1  VAL  35          1HG1      VAL  35   6.966   4.860   0.803
  245   2HG1  VAL  35          2HG1      VAL  35   8.695   4.910   0.376
  246   3HG1  VAL  35          3HG1      VAL  35   8.112   5.939   1.691
  247   1HG2  VAL  35          1HG2      VAL  35   7.495   6.725  -2.413
  248   2HG2  VAL  35          2HG2      VAL  35   8.103   5.189  -1.812
  249   3HG2  VAL  35          3HG2      VAL  35   6.369   5.525  -1.687
  250    H    THR  36           H        THR  36   8.165   9.542   0.471
  251    HA   THR  36           HA       THR  36   7.925  10.436  -2.334
  252    HB   THR  36           HB       THR  36   8.748  12.661  -1.726
  253    HG1  THR  36           HG1      THR  36   8.662  13.289   0.472
  254   1HG2  THR  36          1HG2      THR  36   6.299  12.192  -1.980
  255   2HG2  THR  36          2HG2      THR  36   6.176  11.931  -0.235
  256   3HG2  THR  36          3HG2      THR  36   6.620  13.532  -0.861
  257    H    THR  37           H        THR  37   9.003   8.182  -1.638
  258    HA   THR  37           HA       THR  37  11.778   8.294  -1.094
  259    HB   THR  37           HB       THR  37  10.359   5.926  -1.803
  260    HG1  THR  37           HG1      THR  37  11.300   7.025   0.685
  261   1HG2  THR  37          1HG2      THR  37  12.257   4.830  -0.514
  262   2HG2  THR  37          2HG2      THR  37  12.663   5.366  -2.119
  263   3HG2  THR  37          3HG2      THR  37  13.144   6.349  -0.717
  264    H    THR  38           H        THR  38  12.832   7.048  -2.788
  265    HA   THR  38           HA       THR  38  12.860   8.107  -5.541
  266    HB   THR  38           HB       THR  38  14.448   5.893  -4.446
  267    HG1  THR  38           HG1      THR  38  16.069   7.501  -4.254
  268   1HG2  THR  38          1HG2      THR  38  16.000   6.376  -6.334
  269   2HG2  THR  38          2HG2      THR  38  14.407   5.897  -6.938
  270   3HG2  THR  38          3HG2      THR  38  14.868   7.611  -6.931
  271    H    THR  39           H        THR  39  12.010   4.971  -3.912
  272    HA   THR  39           HA       THR  39  10.288   3.963  -5.970
  273    HB   THR  39           HB       THR  39  12.433   2.319  -4.925
  274    HG1  THR  39           HG1      THR  39  13.698   4.000  -5.729
  275   1HG2  THR  39          1HG2      THR  39  11.098   2.469  -7.638
  276   2HG2  THR  39          2HG2      THR  39  12.316   1.252  -7.181
  277   3HG2  THR  39          3HG2      THR  39  10.750   1.283  -6.356
  278    H    CYS  40           H        CYS  40   9.600   1.908  -5.042
  279    HA   CYS  40           HA       CYS  40   8.576   2.268  -2.434
  280   1HB   CYS  40          1HB       CYS  40   8.369  -0.049  -4.383
  281   2HB   CYS  40          2HB       CYS  40   7.679  -0.142  -2.769
  282    HA   PRO  41           HA       PRO  41  12.281   1.190  -0.413
  283   1HB   PRO  41          1HB       PRO  41  11.523   1.470   2.186
  284   2HB   PRO  41          2HB       PRO  41  11.535   2.826   1.039
  285   1HG   PRO  41          1HG       PRO  41   9.157   1.083   1.767
  286   2HG   PRO  41          2HG       PRO  41   9.264   2.865   1.815
  287   1HD   PRO  41          1HD       PRO  41   8.226   1.690  -0.383
  288   2HD   PRO  41          2HD       PRO  41   9.382   3.034  -0.541
  289    H    SER  42           H        SER  42  13.185  -0.030   1.336
  290    HA   SER  42           HA       SER  42  12.969  -2.846   1.220
  291   1HB   SER  42          1HB       SER  42  13.986  -0.950   3.374
  292   2HB   SER  42          2HB       SER  42  14.276  -2.704   3.362
  293    HG   SER  42           HG       SER  42  16.009  -1.496   2.441
  294    H    SER  43           H        SER  43  11.290  -0.374   3.199
  295    HA   SER  43           HA       SER  43  10.334  -2.293   5.186
  296   1HB   SER  43          2HB       SER  43  10.793   0.078   5.725
  297   2HB   SER  43          1HB       SER  43   9.329   0.437   4.806
  298    HG   SER  43           HG       SER  43   9.486  -1.289   7.031
  299    H    HIS  44           H        HIS  44   9.362  -1.034   2.148
  300    HA   HIS  44           HA       HIS  44   6.824  -2.606   2.147
  301   1HB   HIS  44          1HB       HIS  44   6.897   0.369   1.628
  302   2HB   HIS  44          2HB       HIS  44   5.551  -0.692   1.241
  303    HD1  HIS  44           HD1      HIS  44   7.519   0.528   4.249
  304    HD2  HIS  44           HD2      HIS  44   3.892  -1.375   3.293
  305    HE1  HIS  44           HE1      HIS  44   6.306   0.179   6.433
  306    HE2  HIS  44           HE2      HIS  44   4.020  -0.936   5.876
  307    HA   PRO  45           HA       PRO  45   9.509  -2.756  -1.657
  308   1HB   PRO  45          1HB       PRO  45   9.127  -5.407  -2.404
  309   2HB   PRO  45          2HB       PRO  45  10.301  -4.819  -1.207
  310   1HG   PRO  45          1HG       PRO  45   7.504  -5.851  -0.677
  311   2HG   PRO  45          2HG       PRO  45   9.027  -6.364   0.110
  312   1HD   PRO  45          1HD       PRO  45   7.497  -4.581   1.341
  313   2HD   PRO  45          2HD       PRO  45   9.234  -4.239   1.238
  314    H    SER  46           H        SER  46   5.965  -3.626  -1.672
  315    HA   SER  46           HA       SER  46   6.033  -3.965  -4.578
  316   1HB   SER  46          1HB       SER  46   4.692  -5.498  -3.447
  317   2HB   SER  46          2HB       SER  46   3.924  -4.297  -2.438
  318    HG   SER  46           HG       SER  46   2.971  -3.483  -4.394
  319    HXT  SER  46           HO        OH  47   3.496  -2.250  -3.003
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1   3.000   9.287  -3.116
    2   2H    LYS   1          2H        LYS   1   2.740   9.373  -4.746
    3   3H    LYS   1          3H        LYS   1   1.559   8.799  -3.746
    4    HA   LYS   1           HA       LYS   1   2.601   7.049  -4.920
    5   1HB   LYS   1          1HB       LYS   1   4.897   8.497  -4.700
    6   2HB   LYS   1          2HB       LYS   1   5.166   7.333  -3.409
    7   1HG   LYS   1          1HG       LYS   1   4.655   6.707  -6.341
    8   2HG   LYS   1          2HG       LYS   1   6.192   6.672  -5.475
    9   1HD   LYS   1          1HD       LYS   1   4.995   4.894  -3.915
   10   2HD   LYS   1          2HD       LYS   1   3.852   4.762  -5.261
   11   1HE   LYS   1          1HE       LYS   1   5.516   3.057  -5.586
   12   2HE   LYS   1          2HE       LYS   1   5.858   4.316  -6.787
   13   1HZ   LYS   1          1HZ       LYS   1   7.803   3.542  -5.692
   14   2HZ   LYS   1          2HZ       LYS   1   7.558   5.134  -5.331
   15   3HZ   LYS   1          3HZ       LYS   1   7.222   3.969  -4.212
   16    H    SER   2           H        SER   2   2.204   5.106  -4.044
   17    HA   SER   2           HA       SER   2   2.167   4.637  -1.083
   18   1HB   SER   2          1HB       SER   2   0.083   3.404  -1.371
   19   2HB   SER   2          2HB       SER   2  -0.134   5.108  -1.804
   20    HG   SER   2           HG       SER   2   0.335   2.975  -3.627
   21    H    CYS   3           H        CYS   3   3.137   2.755  -0.511
   22    HA   CYS   3           HA       CYS   3   3.567   0.734  -2.595
   23   1HB   CYS   3          1HB       CYS   3   5.563   2.279  -2.532
   24   2HB   CYS   3          2HB       CYS   3   5.925   1.591  -0.939
   25    H    CYS   4           H        CYS   4   3.680  -1.440  -1.797
   26    HA   CYS   4           HA       CYS   4   2.659  -1.783   0.954
   27   1HB   CYS   4          1HB       CYS   4   2.217  -3.132  -1.712
   28   2HB   CYS   4          2HB       CYS   4   1.682  -3.810  -0.223
   29    H    ARG   5           H        ARG   5   3.123  -3.542   2.168
   30    HA   ARG   5           HA       ARG   5   5.817  -4.236   1.802
   31   1HB   ARG   5          1HB       ARG   5   5.837  -5.325   3.889
   32   2HB   ARG   5          2HB       ARG   5   5.213  -3.673   3.913
   33   1HG   ARG   5          1HG       ARG   5   2.844  -4.718   3.951
   34   2HG   ARG   5          2HG       ARG   5   3.660  -6.275   4.222
   35   1HD   ARG   5          1HD       ARG   5   4.992  -5.106   6.080
   36   2HD   ARG   5          2HD       ARG   5   3.957  -3.695   5.847
   37    HE   ARG   5           HE       ARG   5   2.276  -5.957   6.241
   38   1HH1  ARG   5          1HH1      ARG   5   4.574  -4.019   8.152
   39   2HH1  ARG   5          2HH1      ARG   5   3.804  -4.397   9.676
   40   1HH2  ARG   5          1HH2      ARG   5   1.302  -6.438   8.245
   41   2HH2  ARG   5          2HH2      ARG   5   1.946  -5.776   9.728
   42    H    ASN   6           H        ASN   6   3.194  -5.626   0.394
   43    HA   ASN   6           HA       ASN   6   4.844  -7.070  -0.987
   44   1HB   ASN   6          1HB       ASN   6   3.536  -9.463  -0.562
   45   2HB   ASN   6          2HB       ASN   6   5.093  -9.062   0.136
   46   1HD2  ASN   6          2HD2      ASN   6   1.763  -7.995   1.095
   47   2HD2  ASN   6          1HD2      ASN   6   1.874  -8.630   2.716
   48    H    THR   7           H        THR   7   3.819  -8.454  -2.529
   49    HA   THR   7           HA       THR   7   2.029  -6.858  -4.154
   50    HB   THR   7           HB       THR   7   3.092  -9.567  -4.448
   51    HG1  THR   7           HG1      THR   7   3.837  -7.052  -5.525
   52   1HG2  THR   7          1HG2      THR   7   2.416  -9.110  -6.866
   53   2HG2  THR   7          2HG2      THR   7   1.049  -9.309  -5.745
   54   3HG2  THR   7          3HG2      THR   7   1.545  -7.671  -6.256
   55    H    LEU   8           H        LEU   8   1.747  -9.474  -1.855
   56    HA   LEU   8           HA       LEU   8  -0.982 -10.205  -2.023
   57   1HB   LEU   8          1HB       LEU   8   1.310 -10.694  -0.447
   58   2HB   LEU   8          2HB       LEU   8   0.414  -9.789   0.636
   59    HG   LEU   8           HG       LEU   8  -0.615 -12.354  -0.615
   60   1HD1  LEU   8          1HD2      LEU   8  -0.379 -13.218   1.702
   61   2HD1  LEU   8          2HD2      LEU   8   1.184 -12.639   1.087
   62   3HD1  LEU   8          3HD2      LEU   8   0.254 -11.648   2.233
   63   1HD2  LEU   8          1HD1      LEU   8  -2.518 -10.858  -0.212
   64   2HD2  LEU   8          2HD1      LEU   8  -2.489 -12.079   1.065
   65   3HD2  LEU   8          3HD1      LEU   8  -1.902 -10.441   1.402
   66    H    ALA   9           H        ALA   9   0.827  -7.754  -0.425
   67    HA   ALA   9           HA       ALA   9  -1.486  -6.738   1.129
   68   1HB   ALA   9          1HB       ALA   9   1.287  -5.673   0.849
   69   2HB   ALA   9          2HB       ALA   9   0.009  -4.877   1.788
   70   3HB   ALA   9          3HB       ALA   9   0.536  -6.533   2.219
   71    H    ARG  10           H        ARG  10   0.352  -5.616  -1.572
   72    HA   ARG  10           HA       ARG  10  -1.023  -3.457  -2.604
   73   1HB   ARG  10          1HB       ARG  10   1.177  -4.257  -3.223
   74   2HB   ARG  10          2HB       ARG  10   0.466  -5.808  -3.620
   75   1HG   ARG  10          1HG       ARG  10   1.214  -4.521  -5.606
   76   2HG   ARG  10          2HG       ARG  10  -0.471  -5.066  -5.639
   77   1HD   ARG  10          1HD       ARG  10  -0.211  -2.784  -6.332
   78   2HD   ARG  10          2HD       ARG  10  -1.249  -2.986  -4.870
   79    HE   ARG  10           HE       ARG  10   1.307  -2.347  -3.944
   80   1HH1  ARG  10          1HH1      ARG  10  -1.289  -0.697  -5.733
   81   2HH1  ARG  10          2HH1      ARG  10  -0.894   0.866  -5.058
   82   1HH2  ARG  10          1HH2      ARG  10   1.774  -0.331  -3.079
   83   2HH2  ARG  10          2HH2      ARG  10   0.862   1.081  -3.566
   84    H    ASN  11           H        ASN  11  -1.661  -6.896  -2.868
   85    HA   ASN  11           HA       ASN  11  -3.888  -6.559  -4.770
   86   1HB   ASN  11          1HB       ASN  11  -3.047  -8.974  -3.128
   87   2HB   ASN  11          2HB       ASN  11  -4.453  -8.951  -4.197
   88   1HD2  ASN  11          2HD2      ASN  11  -2.491 -10.822  -4.635
   89   2HD2  ASN  11          1HD2      ASN  11  -1.645 -10.430  -6.120
   90    H    CYS  12           H        CYS  12  -3.814  -7.309  -1.276
   91    HA   CYS  12           HA       CYS  12  -6.402  -6.824  -0.494
   92   1HB   CYS  12          1HB       CYS  12  -4.790  -7.721   1.020
   93   2HB   CYS  12          2HB       CYS  12  -3.751  -6.317   0.877
   94    H    TYR  13           H        TYR  13  -3.812  -4.509  -0.934
   95    HA   TYR  13           HA       TYR  13  -5.294  -2.185  -0.188
   96   1HB   TYR  13          1HB       TYR  13  -2.858  -2.210  -0.193
   97   2HB   TYR  13          2HB       TYR  13  -2.826  -2.493  -1.928
   98    HD1  TYR  13           HD1      TYR  13  -3.118  -0.674  -3.538
   99    HD2  TYR  13           HD2      TYR  13  -3.264   0.017   0.709
  100    HE1  TYR  13           HE1      TYR  13  -2.870   1.762  -3.934
  101    HE2  TYR  13           HE2      TYR  13  -3.027   2.464   0.329
  102    HH   TYR  13           HH       TYR  13  -2.741   3.874  -2.957
  103    H    ASN  14           H        ASN  14  -4.801  -3.573  -3.402
  104    HA   ASN  14           HA       ASN  14  -6.286  -1.553  -4.852
  105   1HB   ASN  14          1HB       ASN  14  -5.500  -4.399  -5.609
  106   2HB   ASN  14          2HB       ASN  14  -6.164  -3.198  -6.725
  107   1HD2  ASN  14          2HD2      ASN  14  -3.544  -4.620  -6.852
  108   2HD2  ASN  14          1HD2      ASN  14  -2.338  -3.355  -6.902
  109    H    ALA  15           H        ALA  15  -6.961  -4.513  -3.202
  110    HA   ALA  15           HA       ALA  15  -9.704  -4.838  -4.086
  111   1HB   ALA  15          1HB       ALA  15  -8.375  -6.775  -3.331
  112   2HB   ALA  15          2HB       ALA  15  -8.241  -6.041  -1.706
  113   3HB   ALA  15          3HB       ALA  15  -9.825  -6.541  -2.320
  114    H    CYS  16           H        CYS  16  -8.143  -3.303  -1.131
  115    HA   CYS  16           HA       CYS  16 -10.723  -2.822   0.073
  116   1HB   CYS  16          1HB       CYS  16  -9.083  -2.813   1.648
  117   2HB   CYS  16          2HB       CYS  16  -7.866  -2.086   0.607
  118    H    ARG  17           H        ARG  17  -8.627  -1.357  -2.339
  119    HA   ARG  17           HA       ARG  17 -10.011   1.181  -2.447
  120   1HB   ARG  17          2HB       ARG  17  -7.603   0.831  -3.159
  121   2HB   ARG  17          1HB       ARG  17  -8.211  -0.074  -4.531
  122   1HG   ARG  17          1HG       ARG  17  -7.794   1.978  -5.473
  123   2HG   ARG  17          2HG       ARG  17  -9.514   2.126  -5.140
  124   1HD   ARG  17          1HD       ARG  17  -7.196   3.213  -3.458
  125   2HD   ARG  17          2HD       ARG  17  -8.252   4.172  -4.497
  126    HE   ARG  17           HE       ARG  17  -8.866   2.910  -1.895
  127   1HH1  ARG  17          1HH1      ARG  17 -10.226   4.755  -4.628
  128   2HH1  ARG  17          2HH1      ARG  17 -11.758   4.993  -3.827
  129   1HH2  ARG  17          1HH2      ARG  17 -10.864   3.259  -0.901
  130   2HH2  ARG  17          2HH2      ARG  17 -12.111   4.178  -1.706
  131    H    PHE  18           H        PHE  18 -10.397  -1.983  -4.011
  132    HA   PHE  18           HA       PHE  18 -12.575  -1.323  -5.735
  133   1HB   PHE  18          1HB       PHE  18 -11.228  -3.593  -5.409
  134   2HB   PHE  18          2HB       PHE  18 -12.387  -3.955  -4.201
  135    HD1  PHE  18           HD1      PHE  18 -11.885  -3.662  -7.797
  136    HD2  PHE  18           HD2      PHE  18 -14.831  -4.161  -4.676
  137    HE1  PHE  18           HE1      PHE  18 -13.541  -4.462  -9.481
  138    HE2  PHE  18           HE2      PHE  18 -16.481  -4.956  -6.359
  139    HZ   PHE  18           HZ       PHE  18 -15.836  -5.113  -8.758
  140    H    THR  19           H        THR  19 -12.453  -2.643  -2.343
  141    HA   THR  19           HA       THR  19 -15.202  -2.335  -1.842
  142    HB   THR  19           HB       THR  19 -14.758  -3.036   0.262
  143    HG1  THR  19           HG1      THR  19 -12.841  -2.857   1.350
  144   1HG2  THR  19          1HG2      THR  19 -12.350  -4.450  -0.502
  145   2HG2  THR  19          2HG2      THR  19 -13.949  -5.054  -0.166
  146   3HG2  THR  19          3HG2      THR  19 -13.582  -4.475  -1.789
  147    H    GLY  20           H        GLY  20 -15.870  -1.216   0.329
  148   1HA   GLY  20          1HA       GLY  20 -15.816   1.702  -0.126
  149   2HA   GLY  20          2HA       GLY  20 -16.868   0.785   0.956
  150    H    GLY  21           H        GLY  21 -13.441   0.177   0.843
  151   1HA   GLY  21          1HA       GLY  21 -12.818   1.410   3.453
  152   2HA   GLY  21          2HA       GLY  21 -11.923   0.123   2.628
  153    H    SER  22           H        SER  22 -11.974   3.387   3.100
  154    HA   SER  22           HA       SER  22 -11.294   4.670   0.764
  155   1HB   SER  22          2HB       SER  22 -10.645   5.339   3.549
  156   2HB   SER  22          1HB       SER  22 -10.689   6.449   2.190
  157    HG   SER  22           HG       SER  22 -12.893   5.062   3.284
  158    H    GLN  23           H        GLN  23  -9.279   5.695   0.793
  159    HA   GLN  23           HA       GLN  23  -7.248   3.768   0.007
  160   1HB   GLN  23          1HB       GLN  23  -7.649   5.789  -1.338
  161   2HB   GLN  23          2HB       GLN  23  -6.861   6.782  -0.104
  162   1HG   GLN  23          1HG       GLN  23  -4.775   5.478  -0.361
  163   2HG   GLN  23          2HG       GLN  23  -5.560   4.416  -1.537
  164   1HE2  GLN  23          2HE2      GLN  23  -6.527   5.560  -3.532
  165   2HE2  GLN  23          1HE2      GLN  23  -5.582   6.864  -4.209
  166    HA   PRO  24           HA       PRO  24  -4.996   5.422   4.041
  167   1HB   PRO  24          1HB       PRO  24  -7.698   6.052   5.388
  168   2HB   PRO  24          2HB       PRO  24  -6.117   6.642   5.839
  169   1HG   PRO  24          1HG       PRO  24  -7.775   8.212   4.365
  170   2HG   PRO  24          2HG       PRO  24  -6.102   8.033   3.747
  171   1HD   PRO  24          1HD       PRO  24  -8.538   6.355   3.048
  172   2HD   PRO  24          2HD       PRO  24  -7.512   7.248   1.914
  173    H    THR  25           H        THR  25  -8.235   4.209   4.432
  174    HA   THR  25           HA       THR  25  -7.644   2.178   6.361
  175    HB   THR  25           HB       THR  25  -9.751   2.413   4.343
  176    HG1  THR  25           HG1      THR  25 -11.019   2.803   6.212
  177   1HG2  THR  25          1HG2      THR  25 -10.932   0.487   5.594
  178   2HG2  THR  25          2HG2      THR  25  -9.497  -0.029   4.718
  179   3HG2  THR  25          3HG2      THR  25  -9.395   0.255   6.462
  180    H    CYS  26           H        CYS  26  -7.353   2.110   2.889
  181    HA   CYS  26           HA       CYS  26  -6.642  -0.705   2.750
  182   1HB   CYS  26          1HB       CYS  26  -5.858   1.458   0.719
  183   2HB   CYS  26          2HB       CYS  26  -5.991  -0.270   0.464
  184    H    GLY  27           H        GLY  27  -4.737   2.241   2.719
  185   1HA   GLY  27          1HA       GLY  27  -2.225   0.886   2.762
  186   2HA   GLY  27          2HA       GLY  27  -2.460   2.581   3.210
  187    H    ILE  28           H        ILE  28  -4.507   1.595   5.323
  188    HA   ILE  28           HA       ILE  28  -2.612   0.884   7.387
  189    HB   ILE  28           HB       ILE  28  -5.622   1.261   7.387
  190   1HG1  ILE  28          1HG1      ILE  28  -3.546   2.979   8.856
  191   2HG1  ILE  28          2HG1      ILE  28  -3.867   3.281   7.154
  192   1HG2  ILE  28          1HG2      ILE  28  -5.261  -0.285   9.126
  193   2HG2  ILE  28          2HG2      ILE  28  -3.819   0.576   9.691
  194   3HG2  ILE  28          3HG2      ILE  28  -5.450   1.274   9.898
  195   1HD1  ILE  28          1HD1      ILE  28  -5.944   3.372   9.365
  196   2HD1  ILE  28          2HD1      ILE  28  -5.262   4.744   8.460
  197   3HD1  ILE  28          3HD1      ILE  28  -6.286   3.552   7.634
  198    H    LEU  29           H        LEU  29  -5.484  -0.655   6.093
  199    HA   LEU  29           HA       LEU  29  -5.340  -2.748   8.061
  200   1HB   LEU  29          1HB       LEU  29  -6.922  -2.718   5.452
  201   2HB   LEU  29          2HB       LEU  29  -7.057  -3.993   6.670
  202    HG   LEU  29           HG       LEU  29  -7.659  -1.087   7.111
  203   1HD1  LEU  29          1HD1      LEU  29  -9.287  -2.247   5.585
  204   2HD1  LEU  29          2HD1      LEU  29  -9.514  -3.517   6.795
  205   3HD1  LEU  29          3HD1      LEU  29 -10.070  -1.875   7.135
  206   1HD2  LEU  29          1HD2      LEU  29  -7.038  -2.055   9.256
  207   2HD2  LEU  29          2HD2      LEU  29  -8.789  -1.899   9.231
  208   3HD2  LEU  29          3HD2      LEU  29  -8.045  -3.488   8.952
  209    H    CYS  30           H        CYS  30  -4.600  -2.400   4.735
  210    HA   CYS  30           HA       CYS  30  -3.349  -5.043   4.374
  211   1HB   CYS  30          1HB       CYS  30  -3.151  -2.631   2.539
  212   2HB   CYS  30          2HB       CYS  30  -2.827  -4.297   2.160
  213    H    ASP  31           H        ASP  31  -2.299  -2.169   5.925
  214    HA   ASP  31           HA       ASP  31  -0.303  -1.275   6.427
  215   1HB   ASP  31          1HB       ASP  31   0.696  -4.146   6.133
  216   2HB   ASP  31          2HB       ASP  31   1.538  -2.831   6.946
  217    HD2  ASP  31           HD2      ASP  31  -1.607  -4.654   8.746
  218    H    CYS  32           H        CYS  32  -0.952  -0.692   3.969
  219    HA   CYS  32           HA       CYS  32   1.618  -0.721   2.400
  220   1HB   CYS  32          1HB       CYS  32  -1.017  -0.410   1.492
  221   2HB   CYS  32          2HB       CYS  32  -0.389   1.242   1.546
  222    H    ILE  33           H        ILE  33   2.321   1.802   1.804
  223    HA   ILE  33           HA       ILE  33   1.747   3.567   4.134
  224    HB   ILE  33           HB       ILE  33   4.180   4.308   3.953
  225   1HG1  ILE  33          1HG1      ILE  33   4.560   1.628   2.561
  226   2HG1  ILE  33          2HG1      ILE  33   4.518   3.165   1.685
  227   1HG2  ILE  33          1HG2      ILE  33   3.721   1.465   4.909
  228   2HG2  ILE  33          2HG2      ILE  33   4.999   2.568   5.451
  229   3HG2  ILE  33          3HG2      ILE  33   3.310   2.930   5.806
  230   1HD1  ILE  33          1HD1      ILE  33   6.783   2.447   2.068
  231   2HD1  ILE  33          2HD1      ILE  33   6.462   3.928   3.011
  232   3HD1  ILE  33          3HD1      ILE  33   6.521   2.355   3.818
  233    H    HIS  34           H        HIS  34   3.039   5.766   3.296
  234    HA   HIS  34           HA       HIS  34   2.477   6.154   0.454
  235   1HB   HIS  34          1HB       HIS  34   0.568   7.199   1.687
  236   2HB   HIS  34          2HB       HIS  34   1.705   8.187   2.600
  237    HD1  HIS  34           HD1      HIS  34   3.337   9.777   0.926
  238    HD2  HIS  34           HD2      HIS  34  -0.324   8.325  -0.589
  239    HE1  HIS  34           HE1      HIS  34   2.744  11.196  -1.120
  240    HE2  HIS  34           HE2      HIS  34   0.514  10.335  -2.039
  241    H    VAL  35           H        VAL  35   4.368   6.446  -0.433
  242    HA   VAL  35           HA       VAL  35   6.536   7.763   1.138
  243    HB   VAL  35           HB       VAL  35   8.068   7.006  -0.404
  244   1HG1  VAL  35          1HG1      VAL  35   6.577   4.652   0.639
  245   2HG1  VAL  35          2HG1      VAL  35   8.309   4.799   0.279
  246   3HG1  VAL  35          3HG1      VAL  35   7.647   5.736   1.611
  247   1HG2  VAL  35          1HG2      VAL  35   7.089   6.567  -2.487
  248   2HG2  VAL  35          2HG2      VAL  35   7.641   4.999  -1.858
  249   3HG2  VAL  35          3HG2      VAL  35   5.934   5.393  -1.771
  250    H    THR  36           H        THR  36   7.545   9.405   0.434
  251    HA   THR  36           HA       THR  36   7.131  10.426  -2.302
  252    HB   THR  36           HB       THR  36   7.671  12.707  -1.617
  253    HG1  THR  36           HG1      THR  36   8.694  12.188   0.374
  254   1HG2  THR  36          1HG2      THR  36   5.470  13.259  -0.683
  255   2HG2  THR  36          2HG2      THR  36   5.311  11.939  -1.871
  256   3HG2  THR  36          3HG2      THR  36   5.244  11.582  -0.133
  257    H    THR  37           H        THR  37   8.548   8.261  -1.638
  258    HA   THR  37           HA       THR  37  11.136   8.514  -0.859
  259    HB   THR  37           HB       THR  37  11.423   6.383  -2.096
  260    HG1  THR  37           HG1      THR  37   9.539   5.340  -2.430
  261   1HG2  THR  37          1HG2      THR  37  10.457   5.142  -0.250
  262   2HG2  THR  37          2HG2      THR  37  11.615   6.394   0.169
  263   3HG2  THR  37          3HG2      THR  37   9.920   6.687   0.466
  264    H    THR  38           H        THR  38  12.593   7.722  -2.565
  265    HA   THR  38           HA       THR  38  12.907   8.790  -5.260
  266    HB   THR  38           HB       THR  38  14.400   6.770  -5.417
  267    HG1  THR  38           HG1      THR  38  13.875   6.485  -2.673
  268   1HG2  THR  38          1HG2      THR  38  15.317   8.992  -4.778
  269   2HG2  THR  38          2HG2      THR  38  15.005   8.619  -3.072
  270   3HG2  THR  38          3HG2      THR  38  16.188   7.664  -3.996
  271    H    THR  39           H        THR  39  11.792   5.589  -3.831
  272    HA   THR  39           HA       THR  39   9.828   4.863  -5.721
  273    HB   THR  39           HB       THR  39  12.223   3.246  -5.475
  274    HG1  THR  39           HG1      THR  39  12.146   5.337  -7.377
  275   1HG2  THR  39          1HG2      THR  39  10.252   3.703  -7.718
  276   2HG2  THR  39          2HG2      THR  39  11.658   2.606  -7.856
  277   3HG2  THR  39          3HG2      THR  39  10.387   2.259  -6.681
  278    H    CYS  40           H        CYS  40   9.418   2.627  -5.152
  279    HA   CYS  40           HA       CYS  40   8.471   2.183  -2.626
  280   1HB   CYS  40          1HB       CYS  40   9.300   0.365  -4.927
  281   2HB   CYS  40          2HB       CYS  40   8.840  -0.400  -3.414
  282    HA   PRO  41           HA       PRO  41  12.418   1.566  -0.463
  283   1HB   PRO  41          1HB       PRO  41  11.534   1.638   2.091
  284   2HB   PRO  41          2HB       PRO  41  11.463   3.064   1.022
  285   1HG   PRO  41          1HG       PRO  41   9.237   1.074   1.559
  286   2HG   PRO  41          2HG       PRO  41   9.171   2.856   1.692
  287   1HD   PRO  41          1HD       PRO  41   8.316   1.633  -0.560
  288   2HD   PRO  41          2HD       PRO  41   9.247   3.143  -0.662
  289    H    SER  42           H        SER  42  13.307   0.203   1.170
  290    HA   SER  42           HA       SER  42  13.126  -2.610   0.781
  291   1HB   SER  42          1HB       SER  42  15.039  -1.249   1.664
  292   2HB   SER  42          2HB       SER  42  14.114  -1.007   3.168
  293    HG   SER  42           HG       SER  42  14.922  -3.506   2.069
  294    H    SER  43           H        SER  43  11.430  -0.305   2.993
  295    HA   SER  43           HA       SER  43  10.636  -2.285   4.933
  296   1HB   SER  43          2HB       SER  43   9.891   0.513   4.373
  297   2HB   SER  43          1HB       SER  43   9.315  -0.384   5.763
  298    HG   SER  43           HG       SER  43  12.025   0.190   5.169
  299    H    HIS  44           H        HIS  44   9.575  -1.107   1.905
  300    HA   HIS  44           HA       HIS  44   7.059  -2.715   2.004
  301   1HB   HIS  44          1HB       HIS  44   7.049   0.276   1.615
  302   2HB   HIS  44          2HB       HIS  44   5.737  -0.796   1.157
  303    HD1  HIS  44           HD1      HIS  44   7.614   0.318   4.306
  304    HD2  HIS  44           HD2      HIS  44   4.056  -1.561   3.095
  305    HE1  HIS  44           HE1      HIS  44   6.184   0.014   6.402
  306    HE2  HIS  44           HE2      HIS  44   4.012  -1.167   5.682
  307    HA   PRO  45           HA       PRO  45   9.523  -2.590  -1.944
  308   1HB   PRO  45          1HB       PRO  45   9.519  -5.239  -2.666
  309   2HB   PRO  45          2HB       PRO  45  10.577  -4.539  -1.410
  310   1HG   PRO  45          1HG       PRO  45   7.899  -5.906  -1.001
  311   2HG   PRO  45          2HG       PRO  45   9.445  -6.275  -0.182
  312   1HD   PRO  45          1HD       PRO  45   7.664  -4.696   1.008
  313   2HD   PRO  45          2HD       PRO  45   9.370  -4.220   1.054
  314    H    SER  46           H        SER  46   6.119  -3.853  -1.742
  315    HA   SER  46           HA       SER  46   6.031  -4.406  -4.588
  316   1HB   SER  46          1HB       SER  46   4.802  -5.886  -3.253
  317   2HB   SER  46          2HB       SER  46   4.038  -4.648  -2.306
  318    HG   SER  46           HG       SER  46   3.735  -5.191  -5.094
  319    HXT  SER  46           HO        OH  47   3.567  -1.247  -4.016
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1   2.631   9.327  -4.823
    2   2H    LYS   1          2H        LYS   1   1.461   8.698  -3.843
    3   3H    LYS   1          3H        LYS   1   2.849   9.290  -3.185
    4    HA   LYS   1           HA       LYS   1   2.635   7.002  -4.949
    5   1HB   LYS   1          1HB       LYS   1   4.844   8.626  -4.646
    6   2HB   LYS   1          2HB       LYS   1   5.171   7.377  -3.450
    7   1HG   LYS   1          1HG       LYS   1   4.620   6.912  -6.404
    8   2HG   LYS   1          2HG       LYS   1   6.195   6.935  -5.599
    9   1HD   LYS   1          1HD       LYS   1   5.294   5.017  -4.107
   10   2HD   LYS   1          2HD       LYS   1   3.955   4.899  -5.248
   11   1HE   LYS   1          1HE       LYS   1   5.561   3.301  -6.007
   12   2HE   LYS   1          2HE       LYS   1   5.706   4.667  -7.122
   13   1HZ   LYS   1          1HZ       LYS   1   7.803   3.825  -6.403
   14   2HZ   LYS   1          2HZ       LYS   1   7.615   5.382  -5.892
   15   3HZ   LYS   1          3HZ       LYS   1   7.447   4.141  -4.827
   16    H    SER   2           H        SER   2   2.285   5.053  -4.023
   17    HA   SER   2           HA       SER   2   2.236   4.691  -1.050
   18   1HB   SER   2          1HB       SER   2  -0.047   5.244  -1.815
   19   2HB   SER   2          2HB       SER   2   0.032   3.956  -3.033
   20    HG   SER   2           HG       SER   2  -1.001   3.327  -1.084
   21    H    CYS   3           H        CYS   3   3.186   2.868  -0.449
   22    HA   CYS   3           HA       CYS   3   3.798   0.730  -2.442
   23   1HB   CYS   3          1HB       CYS   3   5.671   2.258  -0.606
   24   2HB   CYS   3          2HB       CYS   3   6.122   0.759  -1.406
   25    H    CYS   4           H        CYS   4   3.732  -1.370  -1.602
   26    HA   CYS   4           HA       CYS   4   2.635  -1.687   1.120
   27   1HB   CYS   4          1HB       CYS   4   2.197  -2.987  -1.555
   28   2HB   CYS   4          2HB       CYS   4   1.656  -3.710  -0.087
   29    H    ARG   5           H        ARG   5   3.073  -3.460   2.333
   30    HA   ARG   5           HA       ARG   5   5.771  -4.151   1.982
   31   1HB   ARG   5          1HB       ARG   5   5.799  -5.207   4.076
   32   2HB   ARG   5          2HB       ARG   5   5.107  -3.584   4.097
   33   1HG   ARG   5          1HG       ARG   5   2.787  -4.704   4.103
   34   2HG   ARG   5          2HG       ARG   5   3.650  -6.240   4.376
   35   1HD   ARG   5          1HD       ARG   5   4.904  -5.065   6.272
   36   2HD   ARG   5          2HD       ARG   5   3.849  -3.667   6.023
   37    HE   ARG   5           HE       ARG   5   2.200  -5.954   6.358
   38   1HH1  ARG   5          1HH1      ARG   5   4.370  -3.957   8.358
   39   2HH1  ARG   5          2HH1      ARG   5   3.543  -4.348   9.845
   40   1HH2  ARG   5          1HH2      ARG   5   1.164  -6.473   8.311
   41   2HH2  ARG   5          2HH2      ARG   5   1.716  -5.769   9.816
   42    H    ASN   6           H        ASN   6   3.227  -5.502   0.495
   43    HA   ASN   6           HA       ASN   6   4.869  -6.916  -0.862
   44   1HB   ASN   6          1HB       ASN   6   3.651  -9.346  -0.514
   45   2HB   ASN   6          2HB       ASN   6   5.155  -8.899   0.269
   46   1HD2  ASN   6          2HD2      ASN   6   1.827  -7.823   1.157
   47   2HD2  ASN   6          1HD2      ASN   6   1.853  -8.546   2.751
   48    H    THR   7           H        THR   7   3.893  -8.277  -2.467
   49    HA   THR   7           HA       THR   7   2.085  -6.678  -4.055
   50    HB   THR   7           HB       THR   7   3.164  -9.376  -4.389
   51    HG1  THR   7           HG1      THR   7   3.845  -6.853  -5.488
   52   1HG2  THR   7          1HG2      THR   7   2.451  -8.930  -6.807
   53   2HG2  THR   7          2HG2      THR   7   1.101  -9.162  -5.669
   54   3HG2  THR   7          3HG2      THR   7   1.550  -7.516  -6.175
   55    H    LEU   8           H        LEU   8   1.830  -9.358  -1.818
   56    HA   LEU   8           HA       LEU   8  -0.880 -10.128  -1.986
   57   1HB   LEU   8          1HB       LEU   8   1.422 -10.590  -0.419
   58   2HB   LEU   8          2HB       LEU   8   0.512  -9.718   0.675
   59    HG   LEU   8           HG       LEU   8  -0.468 -12.293  -0.595
   60   1HD1  LEU   8          1HD2      LEU   8  -0.212 -13.169   1.717
   61   2HD1  LEU   8          2HD2      LEU   8   1.336 -12.565   1.094
   62   3HD1  LEU   8          3HD2      LEU   8   0.405 -11.593   2.252
   63   1HD2  LEU   8          1HD1      LEU   8  -2.394 -10.838  -0.169
   64   2HD2  LEU   8          2HD1      LEU   8  -2.345 -12.078   1.088
   65   3HD2  LEU   8          3HD1      LEU   8  -1.785 -10.427   1.446
   66    H    ALA   9           H        ALA   9   0.864  -7.661  -0.351
   67    HA   ALA   9           HA       ALA   9  -1.473  -6.721   1.228
   68   1HB   ALA   9          1HB       ALA   9   0.539  -6.461   2.328
   69   2HB   ALA   9          2HB       ALA   9   1.275  -5.574   0.966
   70   3HB   ALA   9          3HB       ALA   9  -0.026  -4.824   1.902
   71    H    ARG  10           H        ARG  10   0.358  -5.498  -1.435
   72    HA   ARG  10           HA       ARG  10  -1.073  -3.383  -2.461
   73   1HB   ARG  10          1HB       ARG  10   1.136  -4.105  -3.095
   74   2HB   ARG  10          2HB       ARG  10   0.491  -5.688  -3.477
   75   1HG   ARG  10          1HG       ARG  10   1.164  -4.421  -5.482
   76   2HG   ARG  10          2HG       ARG  10  -0.518  -4.970  -5.491
   77   1HD   ARG  10          1HD       ARG  10  -0.273  -2.686  -6.194
   78   2HD   ARG  10          2HD       ARG  10  -1.292  -2.880  -4.725
   79    HE   ARG  10           HE       ARG  10   1.305  -2.267  -3.862
   80   1HH1  ARG  10          1HH1      ARG  10  -1.386  -0.587  -5.473
   81   2HH1  ARG  10          2HH1      ARG  10  -0.969   0.957  -4.776
   82   1HH2  ARG  10          1HH2      ARG  10   1.812  -0.279  -2.970
   83   2HH2  ARG  10          2HH2      ARG  10   0.858   1.136  -3.341
   84    H    ASN  11           H        ASN  11  -1.644  -6.830  -2.756
   85    HA   ASN  11           HA       ASN  11  -3.875  -6.522  -4.661
   86   1HB   ASN  11          1HB       ASN  11  -2.998  -8.942  -3.041
   87   2HB   ASN  11          2HB       ASN  11  -4.391  -8.927  -4.122
   88   1HD2  ASN  11          2HD2      ASN  11  -2.336 -10.743  -4.531
   89   2HD2  ASN  11          1HD2      ASN  11  -1.513 -10.330  -6.019
   90    H    CYS  12           H        CYS  12  -3.788  -7.332  -1.181
   91    HA   CYS  12           HA       CYS  12  -6.382  -6.904  -0.368
   92   1HB   CYS  12          1HB       CYS  12  -4.759  -7.771   1.137
   93   2HB   CYS  12          2HB       CYS  12  -3.716  -6.371   0.957
   94    H    TYR  13           H        TYR  13  -3.853  -4.531  -0.840
   95    HA   TYR  13           HA       TYR  13  -5.394  -2.258  -0.064
   96   1HB   TYR  13          1HB       TYR  13  -2.973  -2.200  -0.037
   97   2HB   TYR  13          2HB       TYR  13  -2.899  -2.515  -1.761
   98    HD1  TYR  13           HD1      TYR  13  -3.346  -0.761  -3.441
   99    HD2  TYR  13           HD2      TYR  13  -3.270   0.045   0.792
  100    HE1  TYR  13           HE1      TYR  13  -3.081   1.654  -3.916
  101    HE2  TYR  13           HE2      TYR  13  -3.018   2.479   0.328
  102    HH   TYR  13           HH       TYR  13  -2.829   4.110  -1.295
  103    H    ASN  14           H        ASN  14  -4.873  -3.593  -3.292
  104    HA   ASN  14           HA       ASN  14  -6.405  -1.610  -4.727
  105   1HB   ASN  14          1HB       ASN  14  -5.576  -4.441  -5.485
  106   2HB   ASN  14          2HB       ASN  14  -6.276  -3.259  -6.591
  107   1HD2  ASN  14          2HD2      ASN  14  -3.594  -4.656  -6.648
  108   2HD2  ASN  14          1HD2      ASN  14  -2.432  -3.351  -6.774
  109    H    ALA  15           H        ALA  15  -7.001  -4.584  -3.066
  110    HA   ALA  15           HA       ALA  15  -9.746  -4.943  -3.915
  111   1HB   ALA  15          1HB       ALA  15  -8.373  -6.864  -3.174
  112   2HB   ALA  15          2HB       ALA  15  -8.240  -6.140  -1.551
  113   3HB   ALA  15          3HB       ALA  15  -9.821  -6.655  -2.160
  114    H    CYS  16           H        CYS  16  -8.182  -3.380  -0.966
  115    HA   CYS  16           HA       CYS  16 -10.740  -2.970   0.275
  116   1HB   CYS  16          1HB       CYS  16  -9.074  -2.848   1.806
  117   2HB   CYS  16          2HB       CYS  16  -7.902  -2.125   0.711
  118    H    ARG  17           H        ARG  17  -8.764  -1.424  -2.160
  119    HA   ARG  17           HA       ARG  17 -10.194   1.080  -2.246
  120   1HB   ARG  17          2HB       ARG  17  -7.802   0.736  -3.023
  121   2HB   ARG  17          1HB       ARG  17  -8.436  -0.195  -4.362
  122   1HG   ARG  17          1HG       ARG  17  -7.981   1.840  -5.320
  123   2HG   ARG  17          2HG       ARG  17  -9.719   1.963  -5.038
  124   1HD   ARG  17          1HD       ARG  17  -7.479   3.123  -3.291
  125   2HD   ARG  17          2HD       ARG  17  -8.466   4.042  -4.427
  126    HE   ARG  17           HE       ARG  17  -9.247   2.849  -1.837
  127   1HH1  ARG  17          1HH1      ARG  17 -10.384   4.700  -4.678
  128   2HH1  ARG  17          2HH1      ARG  17 -11.942   5.033  -3.961
  129   1HH2  ARG  17          1HH2      ARG  17 -11.278   3.322  -0.951
  130   2HH2  ARG  17          2HH2      ARG  17 -12.443   4.268  -1.852
  131    H    PHE  18           H        PHE  18 -10.564  -2.080  -3.795
  132    HA   PHE  18           HA       PHE  18 -12.795  -1.465  -5.478
  133   1HB   PHE  18          1HB       PHE  18 -11.320  -3.658  -5.241
  134   2HB   PHE  18          2HB       PHE  18 -12.446  -4.125  -4.027
  135    HD1  PHE  18           HD1      PHE  18 -14.877  -4.443  -4.467
  136    HD2  PHE  18           HD2      PHE  18 -12.010  -3.724  -7.622
  137    HE1  PHE  18           HE1      PHE  18 -16.504  -5.304  -6.141
  138    HE2  PHE  18           HE2      PHE  18 -13.650  -4.577  -9.292
  139    HZ   PHE  18           HZ       PHE  18 -15.879  -5.390  -8.553
  140    H    THR  19           H        THR  19 -12.549  -2.854  -2.125
  141    HA   THR  19           HA       THR  19 -15.264  -2.984  -1.676
  142    HB   THR  19           HB       THR  19 -14.734  -3.568   0.517
  143    HG1  THR  19           HG1      THR  19 -12.780  -3.176   1.476
  144   1HG2  THR  19          1HG2      THR  19 -13.882  -5.500  -0.090
  145   2HG2  THR  19          2HG2      THR  19 -13.392  -4.820  -1.636
  146   3HG2  THR  19          3HG2      THR  19 -12.282  -4.792  -0.248
  147    H    GLY  20           H        GLY  20 -14.039   0.054  -1.990
  148   1HA   GLY  20          1HA       GLY  20 -14.990   2.074  -1.441
  149   2HA   GLY  20          2HA       GLY  20 -16.260   1.267  -0.518
  150    H    GLY  21           H        GLY  21 -13.531  -0.120   0.706
  151   1HA   GLY  21          1HA       GLY  21 -12.947   1.373   3.004
  152   2HA   GLY  21          2HA       GLY  21 -12.012   0.089   2.222
  153    H    SER  22           H        SER  22 -12.052   3.263   2.831
  154    HA   SER  22           HA       SER  22 -11.253   4.738   0.691
  155   1HB   SER  22          2HB       SER  22 -10.580   5.255   3.501
  156   2HB   SER  22          1HB       SER  22 -10.817   6.421   2.204
  157    HG   SER  22           HG       SER  22 -12.634   6.308   3.570
  158    H    GLN  23           H        GLN  23  -9.321   5.615   0.567
  159    HA   GLN  23           HA       GLN  23  -7.212   3.723  -0.060
  160   1HB   GLN  23          1HB       GLN  23  -7.637   5.721  -1.468
  161   2HB   GLN  23          2HB       GLN  23  -6.831   6.731  -0.259
  162   1HG   GLN  23          1HG       GLN  23  -4.769   5.380  -0.485
  163   2HG   GLN  23          2HG       GLN  23  -5.578   4.324  -1.654
  164   1HE2  GLN  23          2HE2      GLN  23  -6.505   5.474  -3.664
  165   2HE2  GLN  23          1HE2      GLN  23  -5.526   6.754  -4.342
  166    HA   PRO  24           HA       PRO  24  -5.131   5.498   3.999
  167   1HB   PRO  24          1HB       PRO  24  -7.886   6.180   5.211
  168   2HB   PRO  24          2HB       PRO  24  -6.319   6.771   5.712
  169   1HG   PRO  24          1HG       PRO  24  -7.903   8.306   4.124
  170   2HG   PRO  24          2HG       PRO  24  -6.207   8.095   3.569
  171   1HD   PRO  24          1HD       PRO  24  -8.626   6.400   2.858
  172   2HD   PRO  24          2HD       PRO  24  -7.574   7.255   1.720
  173    H    THR  25           H        THR  25  -8.382   4.277   4.296
  174    HA   THR  25           HA       THR  25  -7.806   2.338   6.341
  175    HB   THR  25           HB       THR  25  -9.875   2.461   4.276
  176    HG1  THR  25           HG1      THR  25 -10.060   3.773   6.096
  177   1HG2  THR  25          1HG2      THR  25 -10.972   0.423   5.443
  178   2HG2  THR  25          2HG2      THR  25  -9.523   0.033   4.528
  179   3HG2  THR  25          3HG2      THR  25  -9.424   0.195   6.285
  180    H    CYS  26           H        CYS  26  -7.454   2.113   2.874
  181    HA   CYS  26           HA       CYS  26  -6.723  -0.693   2.879
  182   1HB   CYS  26          1HB       CYS  26  -5.918   1.418   0.791
  183   2HB   CYS  26          2HB       CYS  26  -6.025  -0.322   0.575
  184    H    GLY  27           H        GLY  27  -4.830   2.264   2.804
  185   1HA   GLY  27          1HA       GLY  27  -2.296   0.909   2.857
  186   2HA   GLY  27          2HA       GLY  27  -2.540   2.622   3.237
  187    H    ILE  28           H        ILE  28  -4.596   1.713   5.389
  188    HA   ILE  28           HA       ILE  28  -2.720   1.032   7.490
  189    HB   ILE  28           HB       ILE  28  -5.737   1.403   7.394
  190   1HG1  ILE  28          1HG1      ILE  28  -3.689   3.091   8.925
  191   2HG1  ILE  28          2HG1      ILE  28  -3.994   3.414   7.218
  192   1HG2  ILE  28          1HG2      ILE  28  -5.465  -0.167   9.105
  193   2HG2  ILE  28          2HG2      ILE  28  -4.030   0.668   9.744
  194   3HG2  ILE  28          3HG2      ILE  28  -5.662   1.385   9.902
  195   1HD1  ILE  28          1HD1      ILE  28  -6.076   3.510   9.425
  196   2HD1  ILE  28          2HD1      ILE  28  -5.372   4.871   8.529
  197   3HD1  ILE  28          3HD1      ILE  28  -6.416   3.705   7.690
  198    H    LEU  29           H        LEU  29  -5.549  -0.503   6.153
  199    HA   LEU  29           HA       LEU  29  -5.548  -2.616   8.017
  200   1HB   LEU  29          1HB       LEU  29  -7.658  -2.893   7.464
  201   2HB   LEU  29          2HB       LEU  29  -7.470  -1.633   6.299
  202    HG   LEU  29           HG       LEU  29  -6.606  -3.461   4.769
  203   1HD1  LEU  29          1HD1      LEU  29  -6.620  -5.339   6.476
  204   2HD1  LEU  29          2HD1      LEU  29  -8.372  -5.164   6.604
  205   3HD1  LEU  29          3HD1      LEU  29  -7.639  -5.695   5.082
  206   1HD2  LEU  29          1HD2      LEU  29  -9.557  -3.213   5.466
  207   2HD2  LEU  29          2HD2      LEU  29  -8.645  -2.202   4.321
  208   3HD2  LEU  29          3HD2      LEU  29  -8.938  -3.915   3.956
  209    H    CYS  30           H        CYS  30  -4.529  -2.272   4.756
  210    HA   CYS  30           HA       CYS  30  -3.298  -4.952   4.566
  211   1HB   CYS  30          1HB       CYS  30  -3.144  -2.617   2.618
  212   2HB   CYS  30          2HB       CYS  30  -2.755  -4.283   2.307
  213    H    ASP  31           H        ASP  31  -2.310  -2.015   6.020
  214    HA   ASP  31           HA       ASP  31  -0.307  -1.132   6.560
  215   1HB   ASP  31          1HB       ASP  31   0.672  -3.998   6.239
  216   2HB   ASP  31          2HB       ASP  31   1.547  -2.706   7.040
  217    HD2  ASP  31           HD2      ASP  31  -1.402  -4.570   7.153
  218    H    CYS  32           H        CYS  32  -0.933  -0.478   4.116
  219    HA   CYS  32           HA       CYS  32   1.640  -0.502   2.555
  220   1HB   CYS  32          1HB       CYS  32  -0.988  -0.261   1.621
  221   2HB   CYS  32          2HB       CYS  32  -0.388   1.401   1.638
  222    H    ILE  33           H        ILE  33   2.329   1.965   1.942
  223    HA   ILE  33           HA       ILE  33   1.799   3.810   4.221
  224    HB   ILE  33           HB       ILE  33   4.263   4.436   4.057
  225   1HG1  ILE  33          1HG1      ILE  33   4.571   1.732   2.709
  226   2HG1  ILE  33          2HG1      ILE  33   4.551   3.245   1.780
  227   1HG2  ILE  33          1HG2      ILE  33   3.336   3.111   5.917
  228   2HG2  ILE  33          2HG2      ILE  33   3.672   1.628   5.020
  229   3HG2  ILE  33          3HG2      ILE  33   5.007   2.670   5.554
  230   1HD1  ILE  33          1HD1      ILE  33   6.814   2.504   2.187
  231   2HD1  ILE  33          2HD1      ILE  33   6.510   4.027   3.051
  232   3HD1  ILE  33          3HD1      ILE  33   6.548   2.491   3.942
  233    H    HIS  34           H        HIS  34   3.285   5.913   3.286
  234    HA   HIS  34           HA       HIS  34   2.612   6.303   0.474
  235   1HB   HIS  34          1HB       HIS  34   0.781   7.404   1.747
  236   2HB   HIS  34          2HB       HIS  34   1.973   8.369   2.620
  237    HD1  HIS  34           HD1      HIS  34  -0.054   8.321  -0.465
  238    HD2  HIS  34           HD2      HIS  34   3.526  10.138   0.846
  239    HE1  HIS  34           HE1      HIS  34   0.462  10.244  -2.071
  240    HE2  HIS  34           HE2      HIS  34   2.641  11.345  -1.290
  241    H    VAL  35           H        VAL  35   4.485   6.638  -0.486
  242    HA   VAL  35           HA       VAL  35   6.736   7.920   1.034
  243    HB   VAL  35           HB       VAL  35   8.230   7.038  -0.482
  244   1HG1  VAL  35          1HG1      VAL  35   6.650   4.808   0.703
  245   2HG1  VAL  35          2HG1      VAL  35   8.363   4.820   0.249
  246   3HG1  VAL  35          3HG1      VAL  35   7.830   5.874   1.562
  247   1HG2  VAL  35          1HG2      VAL  35   7.232   6.593  -2.545
  248   2HG2  VAL  35          2HG2      VAL  35   7.677   5.002  -1.883
  249   3HG2  VAL  35          3HG2      VAL  35   6.002   5.514  -1.806
  250    H    THR  36           H        THR  36   7.831   9.492   0.229
  251    HA   THR  36           HA       THR  36   7.424  10.304  -2.574
  252    HB   THR  36           HB       THR  36   8.098  12.611  -2.075
  253    HG1  THR  36           HG1      THR  36   9.124  12.226  -0.067
  254   1HG2  THR  36          1HG2      THR  36   5.937  13.350  -1.190
  255   2HG2  THR  36          2HG2      THR  36   5.703  11.949  -2.259
  256   3HG2  THR  36          3HG2      THR  36   5.630  11.742  -0.499
  257    H    THR  37           H        THR  37   8.746   8.149  -1.808
  258    HA   THR  37           HA       THR  37  11.384   8.329  -1.144
  259    HB   THR  37           HB       THR  37  11.521   6.107  -2.254
  260    HG1  THR  37           HG1      THR  37   9.688   6.387  -3.477
  261   1HG2  THR  37          1HG2      THR  37  10.555   5.025  -0.309
  262   2HG2  THR  37          2HG2      THR  37  11.769   6.255   0.005
  263   3HG2  THR  37          3HG2      THR  37  10.092   6.633   0.320
  264    H    THR  38           H        THR  38  12.720   7.372  -2.857
  265    HA   THR  38           HA       THR  38  13.002   8.310  -5.603
  266    HB   THR  38           HB       THR  38  14.459   6.271  -5.699
  267    HG1  THR  38           HG1      THR  38  13.953   6.078  -2.939
  268   1HG2  THR  38          1HG2      THR  38  15.122   8.186  -3.426
  269   2HG2  THR  38          2HG2      THR  38  16.277   7.180  -4.313
  270   3HG2  THR  38          3HG2      THR  38  15.422   8.480  -5.152
  271    H    THR  39           H        THR  39  11.796   5.207  -4.006
  272    HA   THR  39           HA       THR  39   9.895   4.415  -5.944
  273    HB   THR  39           HB       THR  39  12.196   2.728  -5.463
  274    HG1  THR  39           HG1      THR  39  13.355   3.460  -7.299
  275   1HG2  THR  39          1HG2      THR  39  10.460   3.181  -7.899
  276   2HG2  THR  39          2HG2      THR  39  11.751   1.945  -7.793
  277   3HG2  THR  39          3HG2      THR  39  10.333   1.830  -6.744
  278    H    CYS  40           H        CYS  40   9.348   2.240  -5.221
  279    HA   CYS  40           HA       CYS  40   8.495   2.291  -2.588
  280   1HB   CYS  40          1HB       CYS  40   8.546  -0.055  -4.524
  281   2HB   CYS  40          2HB       CYS  40   7.836  -0.151  -2.919
  282    HA   PRO  41           HA       PRO  41  12.335   1.346  -0.645
  283   1HB   PRO  41          1HB       PRO  41  11.628   1.607   1.952
  284   2HB   PRO  41          2HB       PRO  41  11.543   2.968   0.809
  285   1HG   PRO  41          1HG       PRO  41   9.265   1.108   1.567
  286   2HG   PRO  41          2HG       PRO  41   9.276   2.901   1.634
  287   1HD   PRO  41          1HD       PRO  41   8.252   1.669  -0.530
  288   2HD   PRO  41          2HD       PRO  41   9.300   3.090  -0.712
  289    H    SER  42           H        SER  42  13.290   0.080   1.036
  290    HA   SER  42           HA       SER  42  13.001  -2.750   0.863
  291   1HB   SER  42          1HB       SER  42  14.267  -0.925   2.948
  292   2HB   SER  42          2HB       SER  42  14.486  -2.685   2.874
  293    HG   SER  42           HG       SER  42  16.186  -1.541   1.825
  294    H    SER  43           H        SER  43  11.490  -0.236   2.995
  295    HA   SER  43           HA       SER  43  10.713  -2.082   5.058
  296   1HB   SER  43          1HB       SER  43   9.493  -0.146   5.859
  297   2HB   SER  43          2HB       SER  43  11.115   0.362   5.400
  298    HG   SER  43           HG       SER  43  10.217   1.140   3.455
  299    H    HIS  44           H        HIS  44   9.535  -1.067   2.004
  300    HA   HIS  44           HA       HIS  44   7.018  -2.659   2.243
  301   1HB   HIS  44          1HB       HIS  44   7.094   0.305   1.718
  302   2HB   HIS  44          2HB       HIS  44   5.745  -0.728   1.279
  303    HD1  HIS  44           HD1      HIS  44   7.641   0.381   4.423
  304    HD2  HIS  44           HD2      HIS  44   4.043  -1.424   3.212
  305    HE1  HIS  44           HE1      HIS  44   6.188   0.137   6.509
  306    HE2  HIS  44           HE2      HIS  44   3.986  -0.987   5.794
  307    HA   PRO  45           HA       PRO  45   9.601  -2.846  -1.680
  308   1HB   PRO  45          1HB       PRO  45   9.302  -5.516  -2.332
  309   2HB   PRO  45          2HB       PRO  45  10.484  -4.858  -1.176
  310   1HG   PRO  45          1HG       PRO  45   7.728  -5.980  -0.575
  311   2HG   PRO  45          2HG       PRO  45   9.277  -6.421   0.207
  312   1HD   PRO  45          1HD       PRO  45   7.688  -4.671   1.395
  313   2HD   PRO  45          2HD       PRO  45   9.411  -4.278   1.298
  314    H    SER  46           H        SER  46   6.120  -3.845  -1.490
  315    HA   SER  46           HA       SER  46   5.905  -3.880  -4.429
  316   1HB   SER  46          1HB       SER  46   4.769  -5.651  -3.206
  317   2HB   SER  46          2HB       SER  46   3.967  -4.520  -2.154
  318    HG   SER  46           HG       SER  46   3.009  -3.684  -4.158
  319    HXT  SER  46           HO        OH  47   3.713  -1.020  -4.568
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1   3.782   9.246  -4.845
    2   2H    LYS   1          2H        LYS   1   2.460   9.036  -3.877
    3   3H    LYS   1          3H        LYS   1   3.963   9.168  -3.204
    4    HA   LYS   1           HA       LYS   1   3.028   7.033  -4.939
    5   1HB   LYS   1          1HB       LYS   1   5.365   7.359  -5.347
    6   2HB   LYS   1          2HB       LYS   1   5.702   7.515  -3.636
    7   1HG   LYS   1          1HG       LYS   1   6.498   5.377  -4.230
    8   2HG   LYS   1          2HG       LYS   1   5.021   5.109  -3.322
    9   1HD   LYS   1          1HD       LYS   1   4.720   3.605  -5.044
   10   2HD   LYS   1          2HD       LYS   1   3.855   4.991  -5.658
   11   1HE   LYS   1          1HE       LYS   1   5.253   4.183  -7.471
   12   2HE   LYS   1          2HE       LYS   1   6.035   5.665  -6.900
   13   1HZ   LYS   1          1HZ       LYS   1   6.790   2.911  -6.236
   14   2HZ   LYS   1          2HZ       LYS   1   7.603   3.944  -7.225
   15   3HZ   LYS   1          3HZ       LYS   1   7.510   4.251  -5.610
   16    H    SER   2           H        SER   2   2.508   5.091  -4.058
   17    HA   SER   2           HA       SER   2   2.159   4.738  -1.122
   18   1HB   SER   2          1HB       SER   2  -0.009   4.342  -3.230
   19   2HB   SER   2          2HB       SER   2  -0.081   3.791  -1.543
   20    HG   SER   2           HG       SER   2   0.157   5.974  -0.907
   21    H    CYS   3           H        CYS   3   3.255   3.023  -0.656
   22    HA   CYS   3           HA       CYS   3   3.743   0.819  -2.581
   23   1HB   CYS   3          1HB       CYS   3   5.487   2.234  -0.557
   24   2HB   CYS   3          2HB       CYS   3   5.950   0.716  -1.307
   25    H    CYS   4           H        CYS   4   3.731  -1.393  -1.692
   26    HA   CYS   4           HA       CYS   4   2.473  -1.715   0.959
   27   1HB   CYS   4          1HB       CYS   4   2.195  -3.048  -1.753
   28   2HB   CYS   4          2HB       CYS   4   1.516  -3.718  -0.309
   29    H    ARG   5           H        ARG   5   2.917  -3.416   2.198
   30    HA   ARG   5           HA       ARG   5   5.591  -4.152   1.893
   31   1HB   ARG   5          1HB       ARG   5   5.626  -5.189   3.975
   32   2HB   ARG   5          2HB       ARG   5   4.864  -3.595   4.014
   33   1HG   ARG   5          1HG       ARG   5   2.609  -4.702   4.079
   34   2HG   ARG   5          2HG       ARG   5   3.431  -6.285   4.126
   35   1HD   ARG   5          1HD       ARG   5   4.720  -5.536   6.124
   36   2HD   ARG   5          2HD       ARG   5   3.902  -3.971   6.059
   37    HE   ARG   5           HE       ARG   5   1.898  -5.965   6.162
   38   1HH1  ARG   5          1HH1      ARG   5   4.418  -4.671   8.324
   39   2HH1  ARG   5          2HH1      ARG   5   3.503  -5.014   9.777
   40   1HH2  ARG   5          1HH2      ARG   5   0.750  -6.422   8.075
   41   2HH2  ARG   5          2HH2      ARG   5   1.427  -6.014   9.633
   42    H    ASN   6           H        ASN   6   3.135  -5.530   0.339
   43    HA   ASN   6           HA       ASN   6   4.843  -6.986  -0.945
   44   1HB   ASN   6          1HB       ASN   6   3.553  -9.382  -0.598
   45   2HB   ASN   6          2HB       ASN   6   5.062  -8.959   0.182
   46   1HD2  ASN   6          2HD2      ASN   6   1.743  -7.822   1.025
   47   2HD2  ASN   6          1HD2      ASN   6   1.741  -8.532   2.625
   48    H    THR   7           H        THR   7   3.896  -8.337  -2.571
   49    HA   THR   7           HA       THR   7   2.134  -6.731  -4.205
   50    HB   THR   7           HB       THR   7   3.216  -9.428  -4.525
   51    HG1  THR   7           HG1      THR   7   4.732  -7.738  -4.576
   52   1HG2  THR   7          1HG2      THR   7   2.519  -8.979  -6.954
   53   2HG2  THR   7          2HG2      THR   7   1.163  -9.221  -5.827
   54   3HG2  THR   7          3HG2      THR   7   1.604  -7.573  -6.326
   55    H    LEU   8           H        LEU   8   1.818  -9.408  -1.963
   56    HA   LEU   8           HA       LEU   8  -0.889 -10.175  -2.177
   57   1HB   LEU   8          1HB       LEU   8   1.384 -10.624  -0.558
   58   2HB   LEU   8          2HB       LEU   8   0.454  -9.741   0.507
   59    HG   LEU   8           HG       LEU   8  -0.506 -12.332  -0.745
   60   1HD1  LEU   8          1HD2      LEU   8  -0.276 -13.179   1.576
   61   2HD1  LEU   8          2HD2      LEU   8   1.276 -12.546   0.998
   62   3HD1  LEU   8          3HD2      LEU   8   0.294 -11.586   2.118
   63   1HD2  LEU   8          1HD1      LEU   8  -2.441 -10.874  -0.382
   64   2HD2  LEU   8          2HD1      LEU   8  -2.408 -12.087   0.896
   65   3HD2  LEU   8          3HD1      LEU   8  -1.862 -10.433   1.241
   66    H    ALA   9           H        ALA   9   0.824  -7.693  -0.526
   67    HA   ALA   9           HA       ALA   9  -1.546  -6.737   0.974
   68   1HB   ALA   9          1HB       ALA   9   0.440  -6.457   2.129
   69   2HB   ALA   9          2HB       ALA   9   1.208  -5.588   0.769
   70   3HB   ALA   9          3HB       ALA   9  -0.114  -4.829   1.661
   71    H    ARG  10           H        ARG  10   0.333  -5.571  -1.681
   72    HA   ARG  10           HA       ARG  10  -1.077  -3.438  -2.738
   73   1HB   ARG  10          1HB       ARG  10   1.144  -4.149  -3.322
   74   2HB   ARG  10          2HB       ARG  10   0.526  -5.745  -3.696
   75   1HG   ARG  10          1HG       ARG  10   1.227  -4.499  -5.706
   76   2HG   ARG  10          2HG       ARG  10  -0.447  -5.080  -5.743
   77   1HD   ARG  10          1HD       ARG  10  -0.224  -2.802  -6.485
   78   2HD   ARG  10          2HD       ARG  10  -1.265  -2.990  -5.029
   79    HE   ARG  10           HE       ARG  10   1.309  -2.320  -4.134
   80   1HH1  ARG  10          1HH1      ARG  10  -1.379  -0.715  -5.828
   81   2HH1  ARG  10          2HH1      ARG  10  -1.032   0.841  -5.109
   82   1HH2  ARG  10          1HH2      ARG  10   1.724  -0.315  -3.231
   83   2HH2  ARG  10          2HH2      ARG  10   0.752   1.074  -3.644
   84    H    ASN  11           H        ASN  11  -1.655  -6.886  -2.990
   85    HA   ASN  11           HA       ASN  11  -3.876  -6.589  -4.890
   86   1HB   ASN  11          1HB       ASN  11  -3.000  -8.999  -3.260
   87   2HB   ASN  11          2HB       ASN  11  -4.381  -8.990  -4.360
   88   1HD2  ASN  11          2HD2      ASN  11  -2.307 -10.791  -4.732
   89   2HD2  ASN  11          1HD2      ASN  11  -1.444 -10.372  -6.195
   90    H    CYS  12           H        CYS  12  -3.795  -7.364  -1.395
   91    HA   CYS  12           HA       CYS  12  -6.369  -6.931  -0.568
   92   1HB   CYS  12          1HB       CYS  12  -4.763  -7.771   0.941
   93   2HB   CYS  12          2HB       CYS  12  -3.679  -6.419   0.687
   94    H    TYR  13           H        TYR  13  -3.875  -4.554  -1.142
   95    HA   TYR  13           HA       TYR  13  -5.379  -2.267  -0.312
   96   1HB   TYR  13          1HB       TYR  13  -2.981  -2.261  -0.295
   97   2HB   TYR  13          2HB       TYR  13  -2.901  -2.550  -2.023
   98    HD1  TYR  13           HD1      TYR  13  -3.196  -0.002   0.577
   99    HD2  TYR  13           HD2      TYR  13  -3.332  -0.757  -3.671
  100    HE1  TYR  13           HE1      TYR  13  -2.897   2.422   0.141
  101    HE2  TYR  13           HE2      TYR  13  -3.018   1.661  -4.114
  102    HH   TYR  13           HH       TYR  13  -2.766   3.766  -3.185
  103    H    ASN  14           H        ASN  14  -4.798  -3.577  -3.559
  104    HA   ASN  14           HA       ASN  14  -6.326  -1.611  -5.016
  105   1HB   ASN  14          1HB       ASN  14  -5.476  -4.453  -5.726
  106   2HB   ASN  14          2HB       ASN  14  -6.190  -3.300  -6.856
  107   1HD2  ASN  14          2HD2      ASN  14  -3.515  -4.660  -6.933
  108   2HD2  ASN  14          1HD2      ASN  14  -2.357  -3.352  -7.048
  109    H    ALA  15           H        ALA  15  -6.962  -4.577  -3.346
  110    HA   ALA  15           HA       ALA  15  -9.715  -4.915  -4.195
  111   1HB   ALA  15          1HB       ALA  15  -8.371  -6.846  -3.430
  112   2HB   ALA  15          2HB       ALA  15  -8.217  -6.096  -1.820
  113   3HB   ALA  15          3HB       ALA  15  -9.809  -6.601  -2.408
  114    H    CYS  16           H        CYS  16  -8.105  -3.399  -1.236
  115    HA   CYS  16           HA       CYS  16 -10.653  -2.888   0.002
  116   1HB   CYS  16          1HB       CYS  16  -8.960  -2.845   1.519
  117   2HB   CYS  16          2HB       CYS  16  -7.779  -2.134   0.427
  118    H    ARG  17           H        ARG  17  -8.662  -1.404  -2.484
  119    HA   ARG  17           HA       ARG  17 -10.055   1.122  -2.531
  120   1HB   ARG  17          2HB       ARG  17  -7.652   0.775  -3.304
  121   2HB   ARG  17          1HB       ARG  17  -8.295  -0.114  -4.674
  122   1HG   ARG  17          1HG       ARG  17  -7.877   1.955  -5.585
  123   2HG   ARG  17          2HG       ARG  17  -9.602   2.089  -5.230
  124   1HD   ARG  17          1HD       ARG  17  -7.261   3.163  -3.575
  125   2HD   ARG  17          2HD       ARG  17  -8.333   4.133  -4.577
  126    HE   ARG  17           HE       ARG  17  -8.894   2.842  -1.979
  127   1HH1  ARG  17          1HH1      ARG  17 -10.316   4.720  -4.670
  128   2HH1  ARG  17          2HH1      ARG  17 -11.817   4.970  -3.819
  129   1HH2  ARG  17          1HH2      ARG  17 -10.873   3.189  -0.938
  130   2HH2  ARG  17          2HH2      ARG  17 -12.129   4.129  -1.708
  131    H    PHE  18           H        PHE  18 -10.436  -2.035  -4.100
  132    HA   PHE  18           HA       PHE  18 -12.642  -1.397  -5.804
  133   1HB   PHE  18          1HB       PHE  18 -11.260  -3.643  -5.523
  134   2HB   PHE  18          2HB       PHE  18 -12.396  -4.034  -4.290
  135    HD1  PHE  18           HD1      PHE  18 -14.813  -4.351  -4.728
  136    HD2  PHE  18           HD2      PHE  18 -11.997  -3.597  -7.920
  137    HE1  PHE  18           HE1      PHE  18 -16.477  -5.149  -6.390
  138    HE2  PHE  18           HE2      PHE  18 -13.662  -4.411  -9.577
  139    HZ   PHE  18           HZ       PHE  18 -15.905  -5.176  -8.814
  140    H    THR  19           H        THR  19 -12.470  -2.747  -2.433
  141    HA   THR  19           HA       THR  19 -15.207  -2.501  -1.885
  142    HB   THR  19           HB       THR  19 -14.691  -3.197   0.230
  143    HG1  THR  19           HG1      THR  19 -12.758  -2.989   1.249
  144   1HG2  THR  19          1HG2      THR  19 -13.892  -5.194  -0.254
  145   2HG2  THR  19          2HG2      THR  19 -13.525  -4.611  -1.874
  146   3HG2  THR  19          3HG2      THR  19 -12.291  -4.571  -0.595
  147    H    GLY  20           H        GLY  20 -15.832  -1.392   0.328
  148   1HA   GLY  20          1HA       GLY  20 -15.811   1.533  -0.109
  149   2HA   GLY  20          2HA       GLY  20 -16.836   0.606   0.990
  150    H    GLY  21           H        GLY  21 -13.402   0.039   0.739
  151   1HA   GLY  21          1HA       GLY  21 -12.712   1.170   3.384
  152   2HA   GLY  21          2HA       GLY  21 -11.834  -0.075   2.473
  153    H    SER  22           H        SER  22 -11.983   3.211   3.056
  154    HA   SER  22           HA       SER  22 -11.252   4.541   0.769
  155   1HB   SER  22          2HB       SER  22 -10.668   5.139   3.583
  156   2HB   SER  22          1HB       SER  22 -10.677   6.293   2.255
  157    HG   SER  22           HG       SER  22 -12.615   6.365   3.435
  158    H    GLN  23           H        GLN  23  -9.264   5.623   0.899
  159    HA   GLN  23           HA       GLN  23  -7.162   3.792   0.056
  160   1HB   GLN  23          1HB       GLN  23  -7.546   5.849  -1.203
  161   2HB   GLN  23          2HB       GLN  23  -6.881   6.817   0.118
  162   1HG   GLN  23          1HG       GLN  23  -4.722   5.569  -0.079
  163   2HG   GLN  23          2HG       GLN  23  -5.411   4.600  -1.389
  164   1HE2  GLN  23          2HE2      GLN  23  -3.270   5.559  -2.302
  165   2HE2  GLN  23          1HE2      GLN  23  -3.428   7.067  -3.184
  166    HA   PRO  24           HA       PRO  24  -5.052   5.213   4.236
  167   1HB   PRO  24          1HB       PRO  24  -7.796   5.772   5.535
  168   2HB   PRO  24          2HB       PRO  24  -6.226   6.341   6.068
  169   1HG   PRO  24          1HG       PRO  24  -7.847   7.978   4.642
  170   2HG   PRO  24          2HG       PRO  24  -6.161   7.844   4.047
  171   1HD   PRO  24          1HD       PRO  24  -8.573   6.197   3.196
  172   2HD   PRO  24          2HD       PRO  24  -7.512   7.157   2.151
  173    H    THR  25           H        THR  25  -8.290   3.970   4.480
  174    HA   THR  25           HA       THR  25  -7.751   1.842   6.308
  175    HB   THR  25           HB       THR  25  -9.755   2.139   4.201
  176    HG1  THR  25           HG1      THR  25 -11.121   2.434   6.014
  177   1HG2  THR  25          1HG2      THR  25 -10.948   0.133   5.329
  178   2HG2  THR  25          2HG2      THR  25  -9.476  -0.308   4.464
  179   3HG2  THR  25          3HG2      THR  25  -9.432  -0.119   6.223
  180    H    CYS  26           H        CYS  26  -7.275   1.964   2.861
  181    HA   CYS  26           HA       CYS  26  -6.492  -0.826   2.619
  182   1HB   CYS  26          1HB       CYS  26  -5.693   1.439   0.722
  183   2HB   CYS  26          2HB       CYS  26  -5.773  -0.275   0.389
  184    H    GLY  27           H        GLY  27  -4.622   2.148   2.685
  185   1HA   GLY  27          1HA       GLY  27  -2.121   0.866   3.044
  186   2HA   GLY  27          2HA       GLY  27  -2.448   2.566   3.417
  187    H    ILE  28           H        ILE  28  -4.650   1.318   5.365
  188    HA   ILE  28           HA       ILE  28  -2.803   0.702   7.536
  189    HB   ILE  28           HB       ILE  28  -5.828   0.931   7.424
  190   1HG1  ILE  28          1HG1      ILE  28  -3.908   2.700   9.041
  191   2HG1  ILE  28          2HG1      ILE  28  -4.141   3.047   7.333
  192   1HG2  ILE  28          1HG2      ILE  28  -4.078   0.277   9.776
  193   2HG2  ILE  28          2HG2      ILE  28  -5.755   0.876   9.940
  194   3HG2  ILE  28          3HG2      ILE  28  -5.449  -0.647   9.125
  195   1HD1  ILE  28          1HD1      ILE  28  -5.663   4.397   8.641
  196   2HD1  ILE  28          2HD1      ILE  28  -6.569   3.232   7.658
  197   3HD1  ILE  28          3HD1      ILE  28  -6.368   2.951   9.404
  198    H    LEU  29           H        LEU  29  -5.537  -0.907   6.031
  199    HA   LEU  29           HA       LEU  29  -5.378  -3.102   7.875
  200   1HB   LEU  29          1HB       LEU  29  -6.789  -3.003   5.177
  201   2HB   LEU  29          2HB       LEU  29  -6.927  -4.349   6.315
  202    HG   LEU  29           HG       LEU  29  -7.712  -1.505   6.897
  203   1HD1  LEU  29          1HD2      LEU  29  -9.441  -3.961   6.272
  204   2HD1  LEU  29          2HD2      LEU  29 -10.070  -2.362   6.689
  205   3HD1  LEU  29          3HD2      LEU  29  -9.170  -2.594   5.176
  206   1HD2  LEU  29          1HD1      LEU  29  -8.954  -2.508   8.856
  207   2HD2  LEU  29          2HD1      LEU  29  -8.127  -4.046   8.532
  208   3HD2  LEU  29          3HD1      LEU  29  -7.199  -2.610   9.007
  209    H    CYS  30           H        CYS  30  -4.479  -2.507   4.626
  210    HA   CYS  30           HA       CYS  30  -2.905  -4.993   4.245
  211   1HB   CYS  30          1HB       CYS  30  -2.919  -2.600   2.406
  212   2HB   CYS  30          2HB       CYS  30  -2.524  -4.260   2.059
  213    H    ASP  31           H        ASP  31  -2.230  -2.094   5.917
  214    HA   ASP  31           HA       ASP  31  -0.377  -1.105   6.637
  215   1HB   ASP  31          1HB       ASP  31   0.084  -3.697   7.067
  216   2HB   ASP  31          2HB       ASP  31   1.356  -3.460   5.878
  217    HD2  ASP  31           HD2      ASP  31   2.927  -1.884   6.357
  218    H    CYS  32           H        CYS  32  -1.018  -0.463   3.990
  219    HA   CYS  32           HA       CYS  32   1.637  -0.255   2.527
  220   1HB   CYS  32          1HB       CYS  32  -0.999   0.683   1.377
  221   2HB   CYS  32          2HB       CYS  32   0.534   0.543   0.609
  222    H    ILE  33           H        ILE  33   2.462   1.946   1.844
  223    HA   ILE  33           HA       ILE  33   1.649   4.044   3.749
  224    HB   ILE  33           HB       ILE  33   3.763   4.440   4.600
  225   1HG1  ILE  33          1HG1      ILE  33   5.616   3.968   3.489
  226   2HG1  ILE  33          2HG1      ILE  33   5.562   2.515   4.485
  227   1HG2  ILE  33          1HG2      ILE  33   2.262   2.911   5.777
  228   2HG2  ILE  33          2HG2      ILE  33   3.070   1.522   5.025
  229   3HG2  ILE  33          3HG2      ILE  33   3.957   2.572   6.148
  230   1HD1  ILE  33          1HD1      ILE  33   6.301   1.943   2.399
  231   2HD1  ILE  33          2HD1      ILE  33   4.627   1.320   2.484
  232   3HD1  ILE  33          3HD1      ILE  33   5.037   2.767   1.538
  233    H    HIS  34           H        HIS  34   2.385   6.098   3.249
  234    HA   HIS  34           HA       HIS  34   2.524   6.385   0.365
  235   1HB   HIS  34          1HB       HIS  34   0.520   7.332   1.512
  236   2HB   HIS  34          2HB       HIS  34   1.571   8.422   2.422
  237    HD1  HIS  34           HD1      HIS  34  -0.059   7.929  -0.913
  238    HD2  HIS  34           HD2      HIS  34   2.928  10.387   0.783
  239    HE1  HIS  34           HE1      HIS  34   0.384   9.839  -2.559
  240    HE2  HIS  34           HE2      HIS  34   2.190  11.341  -1.533
  241    H    VAL  35           H        VAL  35   4.431   6.570  -0.284
  242    HA   VAL  35           HA       VAL  35   6.538   7.920   1.341
  243    HB   VAL  35           HB       VAL  35   8.145   7.058  -0.073
  244   1HG1  VAL  35          1HG1      VAL  35   7.644   5.915   1.925
  245   2HG1  VAL  35          2HG1      VAL  35   6.565   4.804   0.989
  246   3HG1  VAL  35          3HG1      VAL  35   8.317   4.878   0.656
  247   1HG2  VAL  35          1HG2      VAL  35   7.141   6.629  -2.208
  248   2HG2  VAL  35          2HG2      VAL  35   7.870   5.150  -1.581
  249   3HG2  VAL  35          3HG2      VAL  35   6.116   5.351  -1.460
  250    H    THR  36           H        THR  36   7.594   9.523   0.650
  251    HA   THR  36           HA       THR  36   7.447  10.362  -2.178
  252    HB   THR  36           HB       THR  36   8.053  12.642  -1.593
  253    HG1  THR  36           HG1      THR  36   9.016  12.185   0.441
  254   1HG2  THR  36          1HG2      THR  36   5.533  11.745  -0.089
  255   2HG2  THR  36          2HG2      THR  36   5.849  13.350  -0.767
  256   3HG2  THR  36          3HG2      THR  36   5.640  11.950  -1.840
  257    H    THR  37           H        THR  37   8.614   8.174  -1.401
  258    HA   THR  37           HA       THR  37  11.352   8.376  -0.746
  259    HB   THR  37           HB       THR  37  10.042   6.034  -1.712
  260    HG1  THR  37           HG1      THR  37  10.884   6.934   0.891
  261   1HG2  THR  37          1HG2      THR  37  12.775   6.456  -0.486
  262   2HG2  THR  37          2HG2      THR  37  11.939   4.891  -0.438
  263   3HG2  THR  37          3HG2      THR  37  12.383   5.568  -1.980
  264    H    THR  38           H        THR  38  12.504   7.292  -2.515
  265    HA   THR  38           HA       THR  38  12.540   8.481  -5.213
  266    HB   THR  38           HB       THR  38  14.024   6.108  -4.318
  267    HG1  THR  38           HG1      THR  38  14.792   8.824  -4.364
  268   1HG2  THR  38          1HG2      THR  38  14.521   8.029  -6.636
  269   2HG2  THR  38          2HG2      THR  38  15.567   6.669  -6.184
  270   3HG2  THR  38          3HG2      THR  38  13.936   6.368  -6.811
  271    H    THR  39           H        THR  39  11.727   5.221  -3.844
  272    HA   THR  39           HA       THR  39   9.684   4.460  -5.686
  273    HB   THR  39           HB       THR  39  11.990   2.739  -5.273
  274    HG1  THR  39           HG1      THR  39  13.095   4.485  -6.116
  275   1HG2  THR  39          1HG2      THR  39  11.428   1.955  -7.600
  276   2HG2  THR  39          2HG2      THR  39  10.080   1.814  -6.466
  277   3HG2  THR  39          3HG2      THR  39  10.125   3.173  -7.618
  278    H    CYS  40           H        CYS  40   9.189   2.267  -4.921
  279    HA   CYS  40           HA       CYS  40   8.400   2.323  -2.268
  280   1HB   CYS  40          1HB       CYS  40   8.622  -0.095  -4.159
  281   2HB   CYS  40          2HB       CYS  40   7.794  -0.138  -2.606
  282    HA   PRO  41           HA       PRO  41  12.144   1.494  -0.192
  283   1HB   PRO  41          1HB       PRO  41  11.228   1.498   2.407
  284   2HB   PRO  41          2HB       PRO  41  11.220   2.943   1.363
  285   1HG   PRO  41          1HG       PRO  41   8.965   0.987   1.871
  286   2HG   PRO  41          2HG       PRO  41   8.941   2.761   2.040
  287   1HD   PRO  41          1HD       PRO  41   8.060   1.592  -0.255
  288   2HD   PRO  41          2HD       PRO  41   9.048   3.077  -0.318
  289    H    SER  42           H        SER  42  13.125   0.147   1.408
  290    HA   SER  42           HA       SER  42  12.991  -2.662   1.122
  291   1HB   SER  42          1HB       SER  42  14.865  -1.228   1.978
  292   2HB   SER  42          2HB       SER  42  13.918  -0.972   3.470
  293    HG   SER  42           HG       SER  42  15.446  -2.697   3.661
  294    H    SER  43           H        SER  43  11.295  -0.329   3.300
  295    HA   SER  43           HA       SER  43  10.435  -2.226   5.259
  296   1HB   SER  43          2HB       SER  43   9.660   0.523   4.545
  297   2HB   SER  43          1HB       SER  43   9.057  -0.330   5.960
  298    HG   SER  43           HG       SER  43  10.859   1.022   6.425
  299    H    HIS  44           H        HIS  44   9.396  -1.146   2.158
  300    HA   HIS  44           HA       HIS  44   6.914  -2.819   2.298
  301   1HB   HIS  44          1HB       HIS  44   6.926   0.087   1.587
  302   2HB   HIS  44          2HB       HIS  44   5.583  -1.008   1.327
  303    HD1  HIS  44           HD1      HIS  44   7.587   0.476   4.235
  304    HD2  HIS  44           HD2      HIS  44   3.960  -1.451   3.360
  305    HE1  HIS  44           HE1      HIS  44   6.174   0.561   6.352
  306    HE2  HIS  44           HE2      HIS  44   3.977  -0.677   5.874
  307    HA   PRO  45           HA       PRO  45   9.602  -3.018  -1.521
  308   1HB   PRO  45          1HB       PRO  45   9.352  -5.712  -2.173
  309   2HB   PRO  45          2HB       PRO  45  10.474  -5.033  -0.966
  310   1HG   PRO  45          1HG       PRO  45   7.710  -6.171  -0.473
  311   2HG   PRO  45          2HG       PRO  45   9.234  -6.584   0.375
  312   1HD   PRO  45          1HD       PRO  45   7.564  -4.834   1.474
  313   2HD   PRO  45          2HD       PRO  45   9.295  -4.439   1.459
  314    H    SER  46           H        SER  46   6.091  -3.907  -1.492
  315    HA   SER  46           HA       SER  46   6.044  -4.010  -4.443
  316   1HB   SER  46          1HB       SER  46   4.807  -5.722  -3.301
  317   2HB   SER  46          2HB       SER  46   4.002  -4.583  -2.253
  318    HG   SER  46           HG       SER  46   3.832  -4.768  -5.090
  319    HXT  SER  46           HO        OH  47   4.120  -1.074  -4.887
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1   1.491   8.578  -3.951
    2   2H    LYS   1          2H        LYS   1   2.868   9.202  -3.285
    3   3H    LYS   1          3H        LYS   1   2.659   9.218  -4.923
    4    HA   LYS   1           HA       LYS   1   2.688   6.899  -5.029
    5   1HB   LYS   1          1HB       LYS   1   4.895   8.543  -4.695
    6   2HB   LYS   1          2HB       LYS   1   5.199   7.292  -3.498
    7   1HG   LYS   1          1HG       LYS   1   4.697   6.830  -6.459
    8   2HG   LYS   1          2HG       LYS   1   6.262   6.836  -5.633
    9   1HD   LYS   1          1HD       LYS   1   5.324   4.933  -4.152
   10   2HD   LYS   1          2HD       LYS   1   3.991   4.828  -5.302
   11   1HE   LYS   1          1HE       LYS   1   5.579   3.211  -6.054
   12   2HE   LYS   1          2HE       LYS   1   5.753   4.566  -7.166
   13   1HZ   LYS   1          1HZ       LYS   1   7.483   4.028  -4.857
   14   2HZ   LYS   1          2HZ       LYS   1   7.842   3.726  -6.437
   15   3HZ   LYS   1          3HZ       LYS   1   7.654   5.276  -5.923
   16    H    SER   2           H        SER   2   2.295   4.963  -4.078
   17    HA   SER   2           HA       SER   2   2.303   4.613  -1.112
   18   1HB   SER   2          1HB       SER   2   0.020   3.959  -3.029
   19   2HB   SER   2          2HB       SER   2   0.135   3.433  -1.341
   20    HG   SER   2           HG       SER   2   0.211   5.640  -0.743
   21    H    CYS   3           H        CYS   3   3.192   2.777  -0.514
   22    HA   CYS   3           HA       CYS   3   3.804   0.648  -2.505
   23   1HB   CYS   3          1HB       CYS   3   5.673   2.155  -0.657
   24   2HB   CYS   3          2HB       CYS   3   6.116   0.658  -1.467
   25    H    CYS   4           H        CYS   4   3.722  -1.462  -1.674
   26    HA   CYS   4           HA       CYS   4   2.617  -1.786   1.048
   27   1HB   CYS   4          1HB       CYS   4   2.186  -3.077  -1.630
   28   2HB   CYS   4          2HB       CYS   4   1.641  -3.795  -0.160
   29    H    ARG   5           H        ARG   5   3.093  -3.528   2.266
   30    HA   ARG   5           HA       ARG   5   5.776  -4.226   1.895
   31   1HB   ARG   5          1HB       ARG   5   5.812  -5.291   3.988
   32   2HB   ARG   5          2HB       ARG   5   5.132  -3.658   4.001
   33   1HG   ARG   5          1HG       ARG   5   2.804  -4.761   4.033
   34   2HG   ARG   5          2HG       ARG   5   3.643  -6.307   4.286
   35   1HD   ARG   5          1HD       ARG   5   4.927  -5.185   6.175
   36   2HD   ARG   5          2HD       ARG   5   3.909  -3.754   5.950
   37    HE   ARG   5           HE       ARG   5   2.228  -6.028   6.283
   38   1HH1  ARG   5          1HH1      ARG   5   4.402  -4.013   8.255
   39   2HH1  ARG   5          2HH1      ARG   5   3.573  -4.387   9.750
   40   1HH2  ARG   5          1HH2      ARG   5   1.201  -6.531   8.260
   41   2HH2  ARG   5          2HH2      ARG   5   1.759  -5.816   9.753
   42    H    ASN   6           H        ASN   6   3.229  -5.596   0.417
   43    HA   ASN   6           HA       ASN   6   4.873  -7.030  -0.942
   44   1HB   ASN   6          1HB       ASN   6   3.660  -9.446  -0.576
   45   2HB   ASN   6          2HB       ASN   6   5.148  -8.997   0.224
   46   1HD2  ASN   6          2HD2      ASN   6   1.829  -7.899   1.099
   47   2HD2  ASN   6          1HD2      ASN   6   1.852  -8.623   2.695
   48    H    THR   7           H        THR   7   3.875  -8.405  -2.514
   49    HA   THR   7           HA       THR   7   2.084  -6.793  -4.114
   50    HB   THR   7           HB       THR   7   3.133  -9.501  -4.449
   51    HG1  THR   7           HG1      THR   7   3.852  -6.996  -5.555
   52   1HG2  THR   7          1HG2      THR   7   2.428  -9.027  -6.869
   53   2HG2  THR   7          2HG2      THR   7   1.082  -9.266  -5.736
   54   3HG2  THR   7          3HG2      THR   7   1.541  -7.613  -6.223
   55    H    LEU   8           H        LEU   8   1.803  -9.449  -1.853
   56    HA   LEU   8           HA       LEU   8  -0.913 -10.204  -2.039
   57   1HB   LEU   8          1HB       LEU   8   1.384 -10.681  -0.464
   58   2HB   LEU   8          2HB       LEU   8   0.476  -9.800   0.630
   59    HG   LEU   8           HG       LEU   8  -0.522 -12.362  -0.652
   60   1HD1  LEU   8          1HD1      LEU   8   1.280 -12.644   1.052
   61   2HD1  LEU   8          2HD1      LEU   8   0.337 -11.688   2.209
   62   3HD1  LEU   8          3HD1      LEU   8  -0.273 -13.254   1.652
   63   1HD2  LEU   8          1HD2      LEU   8  -1.827 -10.504   1.411
   64   2HD2  LEU   8          2HD2      LEU   8  -2.432 -10.868  -0.217
   65   3HD2  LEU   8          3HD2      LEU   8  -2.413 -12.131   1.015
   66    H    ALA   9           H        ALA   9   0.858  -7.748  -0.407
   67    HA   ALA   9           HA       ALA   9  -1.471  -6.782   1.155
   68   1HB   ALA   9          1HB       ALA   9   0.012  -4.894   1.825
   69   2HB   ALA   9          2HB       ALA   9   0.527  -6.547   2.269
   70   3HB   ALA   9          3HB       ALA   9   1.300  -5.688   0.903
   71    H    ARG  10           H        ARG  10   0.366  -5.603  -1.522
   72    HA   ARG  10           HA       ARG  10  -1.031  -3.458  -2.548
   73   1HB   ARG  10          1HB       ARG  10   1.162  -4.224  -3.183
   74   2HB   ARG  10          2HB       ARG  10   0.492  -5.798  -3.560
   75   1HG   ARG  10          1HG       ARG  10   1.168  -4.538  -5.578
   76   2HG   ARG  10          2HG       ARG  10  -0.525  -5.065  -5.572
   77   1HD   ARG  10          1HD       ARG  10  -0.251  -2.785  -6.280
   78   2HD   ARG  10          2HD       ARG  10  -1.268  -2.965  -4.806
   79    HE   ARG  10           HE       ARG  10   1.352  -2.386  -3.960
   80   1HH1  ARG  10          1HH1      ARG  10  -1.318  -0.671  -5.573
   81   2HH1  ARG  10          2HH1      ARG  10  -0.887   0.864  -4.860
   82   1HH2  ARG  10          1HH2      ARG  10   1.872  -0.414  -3.053
   83   2HH2  ARG  10          2HH2      ARG  10   0.953   1.019  -3.452
   84    H    ASN  11           H        ASN  11  -1.651  -6.901  -2.819
   85    HA   ASN  11           HA       ASN  11  -3.883  -6.570  -4.713
   86   1HB   ASN  11          1HB       ASN  11  -3.028  -9.000  -3.106
   87   2HB   ASN  11          2HB       ASN  11  -4.421  -8.966  -4.190
   88   1HD2  ASN  11          2HD2      ASN  11  -2.395 -10.804  -4.598
   89   2HD2  ASN  11          1HD2      ASN  11  -1.547 -10.391  -6.078
   90    H    CYS  12           H        CYS  12  -3.785  -7.337  -1.218
   91    HA   CYS  12           HA       CYS  12  -6.389  -6.879  -0.429
   92   1HB   CYS  12          1HB       CYS  12  -4.770  -7.746   1.090
   93   2HB   CYS  12          2HB       CYS  12  -3.730  -6.348   0.922
   94    H    TYR  13           H        TYR  13  -3.817  -4.536  -0.896
   95    HA   TYR  13           HA       TYR  13  -5.340  -2.238  -0.157
   96   1HB   TYR  13          1HB       TYR  13  -2.909  -2.222  -0.141
   97   2HB   TYR  13          2HB       TYR  13  -2.848  -2.544  -1.864
   98    HD1  TYR  13           HD1      TYR  13  -3.150   0.054   0.676
   99    HD2  TYR  13           HD2      TYR  13  -3.304  -0.796  -3.551
  100    HE1  TYR  13           HE1      TYR  13  -2.829   2.470   0.176
  101    HE2  TYR  13           HE2      TYR  13  -3.026   1.604  -4.054
  102    HH   TYR  13           HH       TYR  13  -2.623   4.081  -1.482
  103    H    ASN  14           H        ASN  14  -4.810  -3.617  -3.367
  104    HA   ASN  14           HA       ASN  14  -6.343  -1.644  -4.829
  105   1HB   ASN  14          1HB       ASN  14  -5.489  -4.476  -5.563
  106   2HB   ASN  14          2HB       ASN  14  -6.204  -3.314  -6.682
  107   1HD2  ASN  14          2HD2      ASN  14  -3.540  -4.679  -6.775
  108   2HD2  ASN  14          1HD2      ASN  14  -2.368  -3.380  -6.880
  109    H    ALA  15           H        ALA  15  -6.974  -4.582  -3.113
  110    HA   ALA  15           HA       ALA  15  -9.717  -4.929  -3.990
  111   1HB   ALA  15          1HB       ALA  15  -8.252  -6.096  -1.594
  112   2HB   ALA  15          2HB       ALA  15  -9.821  -6.614  -2.205
  113   3HB   ALA  15          3HB       ALA  15  -8.366  -6.854  -3.205
  114    H    CYS  16           H        CYS  16  -8.134  -3.352  -1.083
  115    HA   CYS  16           HA       CYS  16 -10.674  -2.849   0.180
  116   1HB   CYS  16          1HB       CYS  16  -8.972  -2.753   1.701
  117   2HB   CYS  16          2HB       CYS  16  -7.803  -2.089   0.573
  118    H    ARG  17           H        ARG  17  -8.669  -1.402  -2.307
  119    HA   ARG  17           HA       ARG  17 -10.025   1.134  -2.462
  120   1HB   ARG  17          2HB       ARG  17  -7.640   0.618  -3.281
  121   2HB   ARG  17          1HB       ARG  17  -8.385  -0.230  -4.625
  122   1HG   ARG  17          1HG       ARG  17  -7.871   1.801  -5.551
  123   2HG   ARG  17          2HG       ARG  17  -9.568   2.055  -5.135
  124   1HD   ARG  17          1HD       ARG  17  -7.143   2.934  -3.482
  125   2HD   ARG  17          2HD       ARG  17  -8.055   3.991  -4.550
  126    HE   ARG  17           HE       ARG  17  -8.925   2.764  -1.986
  127   1HH1  ARG  17          1HH1      ARG  17  -9.724   5.071  -4.589
  128   2HH1  ARG  17          2HH1      ARG  17 -11.174   5.624  -3.790
  129   1HH2  ARG  17          1HH2      ARG  17 -10.834   3.493  -1.012
  130   2HH2  ARG  17          2HH2      ARG  17 -11.805   4.737  -1.762
  131    H    PHE  18           H        PHE  18 -10.464  -2.058  -3.956
  132    HA   PHE  18           HA       PHE  18 -12.682  -1.442  -5.640
  133   1HB   PHE  18          1HB       PHE  18 -11.277  -3.665  -5.362
  134   2HB   PHE  18          2HB       PHE  18 -12.396  -4.074  -4.126
  135    HD1  PHE  18           HD1      PHE  18 -14.814  -4.428  -4.542
  136    HD2  PHE  18           HD2      PHE  18 -12.017  -3.650  -7.750
  137    HE1  PHE  18           HE1      PHE  18 -16.483  -5.237  -6.196
  138    HE2  PHE  18           HE2      PHE  18 -13.692  -4.467  -9.400
  139    HZ   PHE  18           HZ       PHE  18 -15.921  -5.275  -8.623
  140    H    THR  19           H        THR  19 -12.485  -2.751  -2.262
  141    HA   THR  19           HA       THR  19 -15.217  -2.830  -1.814
  142    HB   THR  19           HB       THR  19 -14.689  -3.370   0.390
  143    HG1  THR  19           HG1      THR  19 -12.400  -1.913   0.033
  144   1HG2  THR  19          1HG2      THR  19 -13.902  -5.331  -0.202
  145   2HG2  THR  19          2HG2      THR  19 -13.346  -4.692  -1.733
  146   3HG2  THR  19          3HG2      THR  19 -12.274  -4.670  -0.311
  147    H    GLY  20           H        GLY  20 -13.862   0.164  -2.198
  148   1HA   GLY  20          1HA       GLY  20 -14.794   2.229  -1.743
  149   2HA   GLY  20          2HA       GLY  20 -16.025   1.504  -0.707
  150    H    GLY  21           H        GLY  21 -13.509   0.021   0.590
  151   1HA   GLY  21          1HA       GLY  21 -12.762   1.437   2.817
  152   2HA   GLY  21          2HA       GLY  21 -11.866   0.163   1.985
  153    H    SER  22           H        SER  22 -11.865   3.304   2.754
  154    HA   SER  22           HA       SER  22 -11.009   4.855   0.719
  155   1HB   SER  22          2HB       SER  22 -10.487   5.220   3.587
  156   2HB   SER  22          1HB       SER  22 -10.555   6.470   2.346
  157    HG   SER  22           HG       SER  22 -12.712   4.855   3.193
  158    H    GLN  23           H        GLN  23  -9.093   5.893   0.855
  159    HA   GLN  23           HA       GLN  23  -6.886   4.202  -0.007
  160   1HB   GLN  23          1HB       GLN  23  -6.467   7.191   0.351
  161   2HB   GLN  23          2HB       GLN  23  -5.632   6.043  -0.672
  162   1HG   GLN  23          1HG       GLN  23  -6.980   7.264  -2.140
  163   2HG   GLN  23          2HG       GLN  23  -7.792   5.712  -1.958
  164   1HE2  GLN  23          2HE2      GLN  23  -7.699   9.051  -0.528
  165   2HE2  GLN  23          1HE2      GLN  23  -9.429   9.184  -0.280
  166    HA   PRO  24           HA       PRO  24  -4.975   5.388   4.309
  167   1HB   PRO  24          1HB       PRO  24  -7.743   5.915   5.572
  168   2HB   PRO  24          2HB       PRO  24  -6.186   6.463   6.145
  169   1HG   PRO  24          1HG       PRO  24  -7.779   8.155   4.748
  170   2HG   PRO  24          2HG       PRO  24  -6.080   8.041   4.198
  171   1HD   PRO  24          1HD       PRO  24  -8.458   6.410   3.229
  172   2HD   PRO  24          2HD       PRO  24  -7.405   7.428   2.234
  173    H    THR  25           H        THR  25  -8.247   4.171   4.435
  174    HA   THR  25           HA       THR  25  -7.755   2.080   6.292
  175    HB   THR  25           HB       THR  25  -9.725   2.360   4.137
  176    HG1  THR  25           HG1      THR  25  -9.949   2.542   6.941
  177   1HG2  THR  25          1HG2      THR  25 -11.011   0.434   5.297
  178   2HG2  THR  25          2HG2      THR  25  -9.522  -0.092   4.510
  179   3HG2  THR  25          3HG2      THR  25  -9.538   0.180   6.263
  180    H    CYS  26           H        CYS  26  -7.227   2.115   2.863
  181    HA   CYS  26           HA       CYS  26  -6.511  -0.702   2.702
  182   1HB   CYS  26          1HB       CYS  26  -5.711   1.513   0.731
  183   2HB   CYS  26          2HB       CYS  26  -5.777  -0.221   0.443
  184    H    GLY  27           H        GLY  27  -4.666   2.294   2.760
  185   1HA   GLY  27          1HA       GLY  27  -2.145   0.919   2.895
  186   2HA   GLY  27          2HA       GLY  27  -2.379   2.622   3.303
  187    H    ILE  28           H        ILE  28  -4.541   1.491   5.338
  188    HA   ILE  28           HA       ILE  28  -2.679   0.888   7.484
  189    HB   ILE  28           HB       ILE  28  -5.687   1.234   7.369
  190   1HG1  ILE  28          1HG1      ILE  28  -3.674   2.969   8.900
  191   2HG1  ILE  28          2HG1      ILE  28  -3.964   3.278   7.195
  192   1HG2  ILE  28          1HG2      ILE  28  -5.369  -0.313   9.119
  193   2HG2  ILE  28          2HG2      ILE  28  -3.974   0.585   9.754
  194   3HG2  ILE  28          3HG2      ILE  28  -5.629   1.246   9.873
  195   1HD1  ILE  28          1HD1      ILE  28  -6.065   3.360   9.386
  196   2HD1  ILE  28          2HD1      ILE  28  -5.388   4.726   8.470
  197   3HD1  ILE  28          3HD1      ILE  28  -6.396   3.519   7.645
  198    H    LEU  29           H        LEU  29  -5.518  -0.655   6.103
  199    HA   LEU  29           HA       LEU  29  -5.396  -2.775   8.057
  200   1HB   LEU  29          1HB       LEU  29  -6.955  -2.725   5.435
  201   2HB   LEU  29          2HB       LEU  29  -7.098  -3.996   6.649
  202    HG   LEU  29           HG       LEU  29  -7.716  -1.093   7.083
  203   1HD1  LEU  29          1HD1      LEU  29  -9.330  -2.270   5.574
  204   2HD1  LEU  29          2HD1      LEU  29  -9.552  -3.538   6.791
  205   3HD1  LEU  29          3HD1      LEU  29 -10.120  -1.893   7.117
  206   1HD2  LEU  29          1HD2      LEU  29  -8.851  -1.907   9.211
  207   2HD2  LEU  29          2HD2      LEU  29  -8.098  -3.491   8.936
  208   3HD2  LEU  29          3HD2      LEU  29  -7.096  -2.055   9.245
  209    H    CYS  30           H        CYS  30  -4.600  -2.355   4.748
  210    HA   CYS  30           HA       CYS  30  -3.316  -4.999   4.388
  211   1HB   CYS  30          1HB       CYS  30  -3.180  -2.592   2.529
  212   2HB   CYS  30          2HB       CYS  30  -2.820  -4.246   2.170
  213    H    ASP  31           H        ASP  31  -2.327  -2.119   5.964
  214    HA   ASP  31           HA       ASP  31  -0.334  -1.233   6.515
  215   1HB   ASP  31          1HB       ASP  31   0.678  -4.077   6.131
  216   2HB   ASP  31          2HB       ASP  31   1.510  -2.784   6.987
  217    HD2  ASP  31           HD2      ASP  31  -1.658  -4.651   8.715
  218    H    CYS  32           H        CYS  32  -0.974  -0.585   4.046
  219    HA   CYS  32           HA       CYS  32   1.608  -0.618   2.485
  220   1HB   CYS  32          1HB       CYS  32  -1.008  -0.313   1.542
  221   2HB   CYS  32          2HB       CYS  32  -0.370   1.338   1.562
  222    H    ILE  33           H        ILE  33   2.312   1.876   1.861
  223    HA   ILE  33           HA       ILE  33   1.764   3.718   4.135
  224    HB   ILE  33           HB       ILE  33   4.220   4.366   3.990
  225   1HG1  ILE  33          1HG1      ILE  33   4.576   1.676   2.627
  226   2HG1  ILE  33          2HG1      ILE  33   4.544   3.198   1.717
  227   1HG2  ILE  33          1HG2      ILE  33   3.293   2.998   5.839
  228   2HG2  ILE  33          2HG2      ILE  33   3.699   1.533   4.940
  229   3HG2  ILE  33          3HG2      ILE  33   4.983   2.626   5.499
  230   1HD1  ILE  33          1HD1      ILE  33   6.519   2.413   3.871
  231   2HD1  ILE  33          2HD1      ILE  33   6.793   2.490   2.120
  232   3HD1  ILE  33          3HD1      ILE  33   6.470   3.983   3.047
  233    H    HIS  34           H        HIS  34   3.242   5.836   3.212
  234    HA   HIS  34           HA       HIS  34   2.617   6.198   0.388
  235   1HB   HIS  34          1HB       HIS  34   0.757   7.306   1.627
  236   2HB   HIS  34          2HB       HIS  34   1.931   8.279   2.511
  237    HD1  HIS  34           HD1      HIS  34   3.573   9.810   0.818
  238    HD2  HIS  34           HD2      HIS  34  -0.111   8.406  -0.681
  239    HE1  HIS  34           HE1      HIS  34   3.010  11.210  -1.251
  240    HE2  HIS  34           HE2      HIS  34   0.768  10.378  -2.162
  241    H    VAL  35           H        VAL  35   4.503   6.549  -0.543
  242    HA   VAL  35           HA       VAL  35   6.734   7.793   1.020
  243    HB   VAL  35           HB       VAL  35   8.242   6.920  -0.491
  244   1HG1  VAL  35          1HG1      VAL  35   6.640   4.705   0.666
  245   2HG1  VAL  35          2HG1      VAL  35   8.361   4.704   0.223
  246   3HG1  VAL  35          3HG1      VAL  35   7.825   5.757   1.535
  247   1HG2  VAL  35          1HG2      VAL  35   7.272   6.506  -2.580
  248   2HG2  VAL  35          2HG2      VAL  35   7.662   4.904  -1.906
  249   3HG2  VAL  35          3HG2      VAL  35   6.001   5.460  -1.862
  250    H    THR  36           H        THR  36   7.850   9.375   0.254
  251    HA   THR  36           HA       THR  36   7.503  10.227  -2.549
  252    HB   THR  36           HB       THR  36   8.214  12.510  -1.993
  253    HG1  THR  36           HG1      THR  36   8.073  13.174   0.196
  254   1HG2  THR  36          1HG2      THR  36   6.037  13.261  -1.160
  255   2HG2  THR  36          2HG2      THR  36   5.815  11.870  -2.250
  256   3HG2  THR  36          3HG2      THR  36   5.693  11.649  -0.496
  257    H    THR  37           H        THR  37   8.776   8.023  -1.791
  258    HA   THR  37           HA       THR  37  11.426   8.174  -1.135
  259    HB   THR  37           HB       THR  37  11.540   5.948  -2.200
  260    HG1  THR  37           HG1      THR  37   9.734   6.221  -3.445
  261   1HG2  THR  37          1HG2      THR  37  10.564   4.889  -0.251
  262   2HG2  THR  37          2HG2      THR  37  11.768   6.130   0.058
  263   3HG2  THR  37          3HG2      THR  37  10.083   6.501   0.349
  264    H    THR  38           H        THR  38  12.714   7.172  -2.866
  265    HA   THR  38           HA       THR  38  12.870   8.237  -5.611
  266    HB   THR  38           HB       THR  38  14.255   5.869  -4.571
  267    HG1  THR  38           HG1      THR  38  16.000   7.310  -4.280
  268   1HG2  THR  38          1HG2      THR  38  14.223   6.049  -7.069
  269   2HG2  THR  38          2HG2      THR  38  14.886   7.684  -6.940
  270   3HG2  THR  38          3HG2      THR  38  15.854   6.291  -6.417
  271    H    THR  39           H        THR  39  11.811   5.078  -4.027
  272    HA   THR  39           HA       THR  39   9.931   4.257  -5.970
  273    HB   THR  39           HB       THR  39  12.230   2.581  -5.442
  274    HG1  THR  39           HG1      THR  39  12.330   4.492  -7.529
  275   1HG2  THR  39          1HG2      THR  39  10.413   1.560  -6.653
  276   2HG2  THR  39          2HG2      THR  39  10.401   2.911  -7.822
  277   3HG2  THR  39          3HG2      THR  39  11.765   1.750  -7.780
  278    H    CYS  40           H        CYS  40   9.376   2.094  -5.233
  279    HA   CYS  40           HA       CYS  40   8.475   2.181  -2.615
  280   1HB   CYS  40          1HB       CYS  40   8.535  -0.164  -4.559
  281   2HB   CYS  40          2HB       CYS  40   7.799  -0.269  -2.966
  282    HA   PRO  41           HA       PRO  41  12.171   1.402  -0.515
  283   1HB   PRO  41          2HB       PRO  41  10.817   0.697   1.965
  284   2HB   PRO  41          1HB       PRO  41  11.622   2.178   1.590
  285   1HG   PRO  41          1HG       PRO  41   8.810   1.269   1.609
  286   2HG   PRO  41          2HG       PRO  41   9.413   2.918   1.585
  287   1HD   PRO  41          1HD       PRO  41   8.170   1.611  -0.569
  288   2HD   PRO  41          2HD       PRO  41   9.288   2.984  -0.754
  289    H    SER  42           H        SER  42  13.271   0.077   1.026
  290    HA   SER  42           HA       SER  42  13.262  -2.782   0.910
  291   1HB   SER  42          1HB       SER  42  14.204  -0.773   3.002
  292   2HB   SER  42          2HB       SER  42  14.539  -2.516   3.047
  293    HG   SER  42           HG       SER  42  16.246  -1.329   2.087
  294    H    SER  43           H        SER  43  11.605  -0.281   3.096
  295    HA   SER  43           HA       SER  43  10.738  -2.233   4.980
  296   1HB   SER  43          1HB       SER  43   9.514  -0.349   5.875
  297   2HB   SER  43          2HB       SER  43  11.128   0.201   5.428
  298    HG   SER  43           HG       SER  43   9.480   1.642   4.752
  299    H    HIS  44           H        HIS  44   9.540  -1.077   1.970
  300    HA   HIS  44           HA       HIS  44   7.062  -2.757   2.162
  301   1HB   HIS  44          1HB       HIS  44   7.007   0.201   1.562
  302   2HB   HIS  44          2HB       HIS  44   5.732  -0.919   1.197
  303    HD1  HIS  44           HD1      HIS  44   7.671   0.269   4.307
  304    HD2  HIS  44           HD2      HIS  44   4.045  -1.505   3.140
  305    HE1  HIS  44           HE1      HIS  44   6.239   0.033   6.413
  306    HE2  HIS  44           HE2      HIS  44   4.019  -1.063   5.719
  307    HA   PRO  45           HA       PRO  45   9.610  -3.000  -1.789
  308   1HB   PRO  45          1HB       PRO  45   9.201  -5.668  -2.426
  309   2HB   PRO  45          2HB       PRO  45  10.424  -5.056  -1.286
  310   1HG   PRO  45          1HG       PRO  45   7.643  -6.071  -0.630
  311   2HG   PRO  45          2HG       PRO  45   9.191  -6.555   0.120
  312   1HD   PRO  45          1HD       PRO  45   7.675  -4.749   1.323
  313   2HD   PRO  45          2HD       PRO  45   9.410  -4.419   1.203
  314    H    SER  46           H        SER  46   6.108  -3.948  -1.562
  315    HA   SER  46           HA       SER  46   5.876  -3.954  -4.503
  316   1HB   SER  46          1HB       SER  46   4.764  -5.742  -3.289
  317   2HB   SER  46          2HB       SER  46   3.951  -4.629  -2.231
  318    HG   SER  46           HG       SER  46   2.989  -3.797  -4.235
  319    HXT  SER  46           HO        OH  47   3.651  -1.126  -4.605
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1   4.448   8.959  -3.563
    2   2H    LYS   1          2H        LYS   1   4.053   9.109  -5.156
    3   3H    LYS   1          3H        LYS   1   2.865   9.078  -4.015
    4    HA   LYS   1           HA       LYS   1   2.968   7.035  -5.160
    5   1HB   LYS   1          1HB       LYS   1   5.377   7.313  -5.709
    6   2HB   LYS   1          2HB       LYS   1   5.761   6.660  -4.123
    7   1HG   LYS   1          1HG       LYS   1   3.785   5.074  -5.766
    8   2HG   LYS   1          2HG       LYS   1   5.359   5.215  -6.491
    9   1HD   LYS   1          1HD       LYS   1   4.982   4.284  -3.604
   10   2HD   LYS   1          2HD       LYS   1   4.950   3.178  -4.980
   11   1HE   LYS   1          1HE       LYS   1   7.303   5.002  -4.255
   12   2HE   LYS   1          2HE       LYS   1   7.162   3.283  -3.893
   13   1HZ   LYS   1          1HZ       LYS   1   8.419   3.605  -5.845
   14   2HZ   LYS   1          2HZ       LYS   1   6.977   2.922  -6.277
   15   3HZ   LYS   1          3HZ       LYS   1   7.245   4.528  -6.540
   16    H    SER   2           H        SER   2   2.675   4.937  -4.118
   17    HA   SER   2           HA       SER   2   2.505   4.811  -1.158
   18   1HB   SER   2          1HB       SER   2   0.144   4.494  -3.071
   19   2HB   SER   2          2HB       SER   2   0.150   3.948  -1.385
   20    HG   SER   2           HG       SER   2   0.547   6.097  -0.764
   21    H    CYS   3           H        CYS   3   3.338   2.948  -0.505
   22    HA   CYS   3           HA       CYS   3   3.669   0.852  -2.557
   23   1HB   CYS   3          1HB       CYS   3   5.714   2.221  -2.206
   24   2HB   CYS   3          2HB       CYS   3   5.801   1.539  -0.573
   25    H    CYS   4           H        CYS   4   3.649  -1.373  -1.734
   26    HA   CYS   4           HA       CYS   4   2.427  -1.771   0.931
   27   1HB   CYS   4          1HB       CYS   4   2.226  -3.099  -1.796
   28   2HB   CYS   4          2HB       CYS   4   1.534  -3.781  -0.358
   29    H    ARG   5           H        ARG   5   2.806  -3.526   2.138
   30    HA   ARG   5           HA       ARG   5   5.433  -4.181   2.378
   31   1HB   ARG   5          1HB       ARG   5   3.443  -6.288   3.109
   32   2HB   ARG   5          2HB       ARG   5   4.959  -5.824   3.902
   33   1HG   ARG   5          1HG       ARG   5   2.402  -4.172   3.904
   34   2HG   ARG   5          2HG       ARG   5   2.735  -5.433   5.079
   35   1HD   ARG   5          1HD       ARG   5   4.628  -3.097   4.585
   36   2HD   ARG   5          2HD       ARG   5   3.445  -3.135   5.919
   37    HE   ARG   5           HE       ARG   5   5.086  -5.461   5.932
   38   1HH1  ARG   5          1HH1      ARG   5   5.259  -1.992   6.726
   39   2HH1  ARG   5          2HH1      ARG   5   6.613  -2.192   7.812
   40   1HH2  ARG   5          1HH2      ARG   5   6.825  -5.689   7.395
   41   2HH2  ARG   5          2HH2      ARG   5   7.475  -4.292   8.224
   42    H    ASN   6           H        ASN   6   3.000  -5.538   0.253
   43    HA   ASN   6           HA       ASN   6   4.731  -7.292  -1.071
   44   1HB   ASN   6          1HB       ASN   6   2.533  -8.215   0.874
   45   2HB   ASN   6          2HB       ASN   6   2.925  -9.224  -0.515
   46   1HD2  ASN   6          2HD2      ASN   6   3.107  -9.778   2.265
   47   2HD2  ASN   6          1HD2      ASN   6   4.754 -10.357   2.528
   48    H    THR   7           H        THR   7   3.502  -8.624  -2.393
   49    HA   THR   7           HA       THR   7   2.017  -6.920  -4.262
   50    HB   THR   7           HB       THR   7   2.927  -9.698  -4.410
   51    HG1  THR   7           HG1      THR   7   3.921  -7.306  -5.560
   52   1HG2  THR   7          1HG2      THR   7   0.964  -9.305  -5.834
   53   2HG2  THR   7          2HG2      THR   7   1.660  -7.759  -6.395
   54   3HG2  THR   7          3HG2      THR   7   2.403  -9.309  -6.890
   55    H    LEU   8           H        LEU   8   1.563  -9.560  -2.036
   56    HA   LEU   8           HA       LEU   8  -1.184 -10.106  -2.212
   57   1HB   LEU   8          1HB       LEU   8   1.074 -10.745  -0.632
   58   2HB   LEU   8          2HB       LEU   8   0.239  -9.801   0.476
   59    HG   LEU   8           HG       LEU   8  -0.915 -12.311  -0.799
   60   1HD1  LEU   8          1HD1      LEU   8   0.850 -12.668   0.921
   61   2HD1  LEU   8          2HD1      LEU   8  -0.038 -11.639   2.061
   62   3HD1  LEU   8          3HD1      LEU   8  -0.738 -13.185   1.521
   63   1HD2  LEU   8          1HD2      LEU   8  -2.137 -10.350   1.215
   64   2HD2  LEU   8          2HD2      LEU   8  -2.748 -10.730  -0.406
   65   3HD2  LEU   8          3HD2      LEU   8  -2.793 -11.962   0.861
   66    H    ALA   9           H        ALA   9   0.727  -7.775  -0.549
   67    HA   ALA   9           HA       ALA   9  -1.553  -6.696   0.988
   68   1HB   ALA   9          1HB       ALA   9  -0.048  -4.886   1.644
   69   2HB   ALA   9          2HB       ALA   9   0.515  -6.546   2.028
   70   3HB   ALA   9          3HB       ALA   9   1.196  -5.650   0.633
   71    H    ARG  10           H        ARG  10   0.244  -5.654  -1.804
   72    HA   ARG  10           HA       ARG  10  -1.229  -3.355  -2.608
   73   1HB   ARG  10          1HB       ARG  10   0.857  -3.859  -3.415
   74   2HB   ARG  10          2HB       ARG  10   0.386  -5.445  -4.006
   75   1HG   ARG  10          1HG       ARG  10  -1.007  -4.584  -5.731
   76   2HG   ARG  10          2HG       ARG  10  -1.055  -2.942  -5.030
   77   1HD   ARG  10          1HD       ARG  10   1.473  -4.348  -5.823
   78   2HD   ARG  10          2HD       ARG  10   0.512  -3.346  -6.937
   79    HE   ARG  10           HE       ARG  10   1.428  -2.264  -4.278
   80   1HH1  ARG  10          1HH1      ARG  10   1.399  -1.704  -7.789
   81   2HH1  ARG  10          2HH1      ARG  10   1.964  -0.060  -7.604
   82   1HH2  ARG  10          1HH2      ARG  10   2.204  -0.240  -4.083
   83   2HH2  ARG  10          2HH2      ARG  10   2.407   0.793  -5.478
   84    H    ASN  11           H        ASN  11  -1.645  -6.759  -3.183
   85    HA   ASN  11           HA       ASN  11  -4.002  -6.491  -4.895
   86   1HB   ASN  11          1HB       ASN  11  -3.085  -8.901  -3.285
   87   2HB   ASN  11          2HB       ASN  11  -4.479  -8.903  -4.364
   88   1HD2  ASN  11          2HD2      ASN  11  -2.479 -10.713  -4.813
   89   2HD2  ASN  11          1HD2      ASN  11  -1.619 -10.288  -6.278
   90    H    CYS  12           H        CYS  12  -3.893  -7.312  -1.415
   91    HA   CYS  12           HA       CYS  12  -6.474  -6.939  -0.584
   92   1HB   CYS  12          1HB       CYS  12  -4.776  -7.812   0.872
   93   2HB   CYS  12          2HB       CYS  12  -3.799  -6.362   0.715
   94    H    TYR  13           H        TYR  13  -3.958  -4.533  -0.939
   95    HA   TYR  13           HA       TYR  13  -5.505  -2.281  -0.134
   96   1HB   TYR  13          1HB       TYR  13  -3.141  -2.176  -0.045
   97   2HB   TYR  13          2HB       TYR  13  -2.975  -2.595  -1.734
   98    HD1  TYR  13           HD1      TYR  13  -3.331   0.149   0.612
   99    HD2  TYR  13           HD2      TYR  13  -3.236  -0.990  -3.540
  100    HE1  TYR  13           HE1      TYR  13  -2.851   2.507  -0.020
  101    HE2  TYR  13           HE2      TYR  13  -2.749   1.350  -4.182
  102    HH   TYR  13           HH       TYR  13  -2.477   3.996  -1.765
  103    H    ASN  14           H        ASN  14  -4.968  -3.529  -3.406
  104    HA   ASN  14           HA       ASN  14  -6.522  -1.500  -4.764
  105   1HB   ASN  14          1HB       ASN  14  -5.622  -4.288  -5.617
  106   2HB   ASN  14          2HB       ASN  14  -6.392  -3.109  -6.689
  107   1HD2  ASN  14          2HD2      ASN  14  -3.709  -4.351  -6.920
  108   2HD2  ASN  14          1HD2      ASN  14  -2.578  -3.020  -6.989
  109    H    ALA  15           H        ALA  15  -7.098  -4.542  -3.223
  110    HA   ALA  15           HA       ALA  15  -9.859  -4.882  -4.059
  111   1HB   ALA  15          1HB       ALA  15  -8.500  -6.806  -3.318
  112   2HB   ALA  15          2HB       ALA  15  -8.370  -6.091  -1.697
  113   3HB   ALA  15          3HB       ALA  15  -9.953  -6.589  -2.305
  114    H    CYS  16           H        CYS  16  -8.268  -3.395  -1.101
  115    HA   CYS  16           HA       CYS  16 -10.798  -2.843   0.147
  116   1HB   CYS  16          1HB       CYS  16  -9.092  -2.818   1.663
  117   2HB   CYS  16          2HB       CYS  16  -7.905  -2.144   0.557
  118    H    ARG  17           H        ARG  17  -8.770  -1.392  -2.339
  119    HA   ARG  17           HA       ARG  17 -10.153   1.144  -2.426
  120   1HB   ARG  17          2HB       ARG  17  -7.732   0.684  -3.203
  121   2HB   ARG  17          1HB       ARG  17  -8.443  -0.099  -4.605
  122   1HG   ARG  17          1HG       ARG  17  -7.917   2.002  -5.398
  123   2HG   ARG  17          2HG       ARG  17  -9.632   2.201  -5.016
  124   1HD   ARG  17          1HD       ARG  17  -7.245   3.026  -3.284
  125   2HD   ARG  17          2HD       ARG  17  -8.197   4.125  -4.270
  126    HE   ARG  17           HE       ARG  17  -8.996   2.723  -1.779
  127   1HH1  ARG  17          1HH1      ARG  17  -9.970   5.082  -4.281
  128   2HH1  ARG  17          2HH1      ARG  17 -11.454   5.484  -3.454
  129   1HH2  ARG  17          1HH2      ARG  17 -10.952   3.249  -0.781
  130   2HH2  ARG  17          2HH2      ARG  17 -12.003   4.462  -1.476
  131    H    PHE  18           H        PHE  18 -10.573  -2.029  -3.946
  132    HA   PHE  18           HA       PHE  18 -12.774  -1.376  -5.650
  133   1HB   PHE  18          1HB       PHE  18 -11.420  -3.638  -5.350
  134   2HB   PHE  18          2HB       PHE  18 -12.551  -4.008  -4.121
  135    HD1  PHE  18           HD1      PHE  18 -14.993  -4.235  -4.523
  136    HD2  PHE  18           HD2      PHE  18 -12.150  -3.702  -7.738
  137    HE1  PHE  18           HE1      PHE  18 -16.685  -5.030  -6.157
  138    HE2  PHE  18           HE2      PHE  18 -13.844  -4.500  -9.361
  139    HZ   PHE  18           HZ       PHE  18 -16.122  -5.151  -8.583
  140    H    THR  19           H        THR  19 -12.591  -2.701  -2.263
  141    HA   THR  19           HA       THR  19 -15.325  -2.378  -1.706
  142    HB   THR  19           HB       THR  19 -14.844  -3.086   0.387
  143    HG1  THR  19           HG1      THR  19 -12.438  -1.783   0.213
  144   1HG2  THR  19          1HG2      THR  19 -13.714  -4.533  -1.662
  145   2HG2  THR  19          2HG2      THR  19 -12.426  -4.463  -0.437
  146   3HG2  THR  19          3HG2      THR  19 -14.006  -5.089  -0.014
  147    H    GLY  20           H        GLY  20 -15.908  -1.246   0.512
  148   1HA   GLY  20          1HA       GLY  20 -15.861   1.680   0.047
  149   2HA   GLY  20          2HA       GLY  20 -16.873   0.771   1.173
  150    H    GLY  21           H        GLY  21 -13.454   0.158   0.883
  151   1HA   GLY  21          1HA       GLY  21 -12.723   1.265   3.521
  152   2HA   GLY  21          2HA       GLY  21 -11.875   0.012   2.600
  153    H    SER  22           H        SER  22 -11.985   3.297   3.206
  154    HA   SER  22           HA       SER  22 -11.224   4.637   0.949
  155   1HB   SER  22          2HB       SER  22 -10.590   5.215   3.753
  156   2HB   SER  22          1HB       SER  22 -10.604   6.366   2.443
  157    HG   SER  22           HG       SER  22 -12.844   4.965   3.459
  158    H    GLN  23           H        GLN  23  -9.217   5.735   1.171
  159    HA   GLN  23           HA       GLN  23  -7.061   4.022   0.203
  160   1HB   GLN  23          1HB       GLN  23  -6.790   7.019   0.688
  161   2HB   GLN  23          2HB       GLN  23  -5.807   5.975  -0.338
  162   1HG   GLN  23          1HG       GLN  23  -7.844   5.493  -1.708
  163   2HG   GLN  23          2HG       GLN  23  -8.747   6.677  -0.758
  164   1HE2  GLN  23          2HE2      GLN  23  -7.647   8.950  -0.636
  165   2HE2  GLN  23          1HE2      GLN  23  -6.950   9.540  -2.132
  166    HA   PRO  24           HA       PRO  24  -5.045   5.158   4.469
  167   1HB   PRO  24          1HB       PRO  24  -7.723   5.648   5.932
  168   2HB   PRO  24          2HB       PRO  24  -6.152   6.286   6.328
  169   1HG   PRO  24          1HG       PRO  24  -7.997   7.835   5.049
  170   2HG   PRO  24          2HG       PRO  24  -6.341   7.837   4.349
  171   1HD   PRO  24          2HD       PRO  24  -8.620   5.941   3.678
  172   2HD   PRO  24          1HD       PRO  24  -7.890   7.042   2.546
  173    H    THR  25           H        THR  25  -8.305   3.978   4.714
  174    HA   THR  25           HA       THR  25  -7.810   1.781   6.451
  175    HB   THR  25           HB       THR  25  -9.795   2.185   4.341
  176    HG1  THR  25           HG1      THR  25  -9.966   3.478   6.178
  177   1HG2  THR  25          1HG2      THR  25 -11.063   0.205   5.445
  178   2HG2  THR  25          2HG2      THR  25  -9.597  -0.276   4.596
  179   3HG2  THR  25          3HG2      THR  25  -9.571  -0.093   6.356
  180    H    CYS  26           H        CYS  26  -7.319   1.994   3.009
  181    HA   CYS  26           HA       CYS  26  -6.571  -0.805   2.702
  182   1HB   CYS  26          1HB       CYS  26  -5.782   1.491   0.854
  183   2HB   CYS  26          2HB       CYS  26  -5.824  -0.224   0.484
  184    H    GLY  27           H        GLY  27  -4.629   2.136   2.794
  185   1HA   GLY  27          1HA       GLY  27  -2.188   0.734   3.101
  186   2HA   GLY  27          2HA       GLY  27  -2.427   2.435   3.553
  187    H    ILE  28           H        ILE  28  -4.675   1.242   5.479
  188    HA   ILE  28           HA       ILE  28  -2.845   0.525   7.621
  189    HB   ILE  28           HB       ILE  28  -5.858   0.850   7.534
  190   1HG1  ILE  28          1HG1      ILE  28  -3.867   2.539   9.150
  191   2HG1  ILE  28          2HG1      ILE  28  -4.127   2.916   7.452
  192   1HG2  ILE  28          1HG2      ILE  28  -5.510  -0.772   9.211
  193   2HG2  ILE  28          2HG2      ILE  28  -4.115   0.107   9.868
  194   3HG2  ILE  28          3HG2      ILE  28  -5.774   0.748  10.046
  195   1HD1  ILE  28          1HD1      ILE  28  -5.590   4.291   8.806
  196   2HD1  ILE  28          2HD1      ILE  28  -6.558   3.146   7.854
  197   3HD1  ILE  28          3HD1      ILE  28  -6.294   2.856   9.585
  198    H    LEU  29           H        LEU  29  -5.650  -0.961   6.127
  199    HA   LEU  29           HA       LEU  29  -5.525  -3.203   7.939
  200   1HB   LEU  29          1HB       LEU  29  -7.026  -2.996   5.294
  201   2HB   LEU  29          2HB       LEU  29  -7.188  -4.347   6.427
  202    HG   LEU  29           HG       LEU  29  -7.846  -1.483   7.028
  203   1HD1  LEU  29          1HD1      LEU  29  -9.421  -2.552   5.401
  204   2HD1  LEU  29          2HD1      LEU  29  -9.661  -3.908   6.515
  205   3HD1  LEU  29          3HD1      LEU  29 -10.232  -2.291   6.955
  206   1HD2  LEU  29          1HD2      LEU  29  -8.270  -3.993   8.710
  207   2HD2  LEU  29          2HD2      LEU  29  -7.271  -2.589   9.131
  208   3HD2  LEU  29          3HD2      LEU  29  -9.020  -2.423   9.058
  209    H    CYS  30           H        CYS  30  -4.649  -2.517   4.698
  210    HA   CYS  30           HA       CYS  30  -3.215  -5.076   4.231
  211   1HB   CYS  30          1HB       CYS  30  -3.315  -2.677   2.380
  212   2HB   CYS  30          2HB       CYS  30  -2.916  -4.329   2.017
  213    H    ASP  31           H        ASP  31  -2.388  -2.240   5.925
  214    HA   ASP  31           HA       ASP  31  -0.429  -1.385   6.606
  215   1HB   ASP  31          1HB       ASP  31   0.703  -4.107   5.822
  216   2HB   ASP  31          2HB       ASP  31   1.409  -2.968   6.960
  217    HD2  ASP  31           HD2      ASP  31   0.008  -2.346   8.763
  218    H    CYS  32           H        CYS  32  -1.080  -0.628   4.041
  219    HA   CYS  32           HA       CYS  32   1.595  -0.350   2.601
  220   1HB   CYS  32          1HB       CYS  32  -1.044   0.559   1.448
  221   2HB   CYS  32          2HB       CYS  32   0.500   0.475   0.689
  222    H    ILE  33           H        ILE  33   2.090   2.009   1.748
  223    HA   ILE  33           HA       ILE  33   1.416   3.986   3.894
  224    HB   ILE  33           HB       ILE  33   3.882   4.536   3.890
  225   1HG1  ILE  33          1HG1      ILE  33   4.263   1.840   2.546
  226   2HG1  ILE  33          2HG1      ILE  33   4.288   3.354   1.632
  227   1HG2  ILE  33          1HG2      ILE  33   2.838   3.259   5.682
  228   2HG2  ILE  33          2HG2      ILE  33   3.150   1.750   4.821
  229   3HG2  ILE  33          3HG2      ILE  33   4.501   2.736   5.416
  230   1HD1  ILE  33          1HD1      ILE  33   6.182   2.689   3.922
  231   2HD1  ILE  33          2HD1      ILE  33   6.541   2.597   2.189
  232   3HD1  ILE  33          3HD1      ILE  33   6.177   4.164   2.950
  233    H    HIS  34           H        HIS  34   2.984   6.016   3.058
  234    HA   HIS  34           HA       HIS  34   2.674   6.351   0.193
  235   1HB   HIS  34          1HB       HIS  34   0.717   7.570   1.194
  236   2HB   HIS  34          2HB       HIS  34   1.831   8.523   2.173
  237    HD1  HIS  34           HD1      HIS  34   0.243   8.344  -1.175
  238    HD2  HIS  34           HD2      HIS  34   3.609  10.208   0.562
  239    HE1  HIS  34           HE1      HIS  34   1.020  10.171  -2.790
  240    HE2  HIS  34           HE2      HIS  34   3.065  11.313  -1.737
  241    H    VAL  35           H        VAL  35   4.551   6.613  -0.596
  242    HA   VAL  35           HA       VAL  35   6.651   7.962   1.022
  243    HB   VAL  35           HB       VAL  35   8.267   7.057  -0.301
  244   1HG1  VAL  35          1HG1      VAL  35   6.778   4.731   0.737
  245   2HG1  VAL  35          2HG1      VAL  35   8.536   4.958   0.554
  246   3HG1  VAL  35          3HG1      VAL  35   7.673   5.939   1.750
  247   1HG2  VAL  35          1HG2      VAL  35   6.327   5.257  -1.704
  248   2HG2  VAL  35          2HG2      VAL  35   7.374   6.530  -2.431
  249   3HG2  VAL  35          3HG2      VAL  35   8.095   5.085  -1.721
  250    H    THR  36           H        THR  36   7.548   9.588   0.288
  251    HA   THR  36           HA       THR  36   7.594  10.250  -2.592
  252    HB   THR  36           HB       THR  36   8.165  12.574  -2.076
  253    HG1  THR  36           HG1      THR  36   7.411  11.911   0.587
  254   1HG2  THR  36          1HG2      THR  36   5.487  11.727  -0.868
  255   2HG2  THR  36          2HG2      THR  36   5.884  13.319  -1.558
  256   3HG2  THR  36          3HG2      THR  36   5.824  11.877  -2.601
  257    H    THR  37           H        THR  37   8.782   8.161  -1.662
  258    HA   THR  37           HA       THR  37  11.426   8.523  -0.729
  259    HB   THR  37           HB       THR  37  10.287   6.078  -1.652
  260    HG1  THR  37           HG1      THR  37  10.945   7.167   0.926
  261   1HG2  THR  37          1HG2      THR  37  12.132   5.074  -0.182
  262   2HG2  THR  37          2HG2      THR  37  12.658   5.634  -1.746
  263   3HG2  THR  37          3HG2      THR  37  12.946   6.646  -0.309
  264    H    THR  38           H        THR  38  12.795   7.365  -2.291
  265    HA   THR  38           HA       THR  38  13.179   8.379  -5.022
  266    HB   THR  38           HB       THR  38  14.417   5.994  -3.839
  267    HG1  THR  38           HG1      THR  38  15.339   8.667  -3.938
  268   1HG2  THR  38          1HG2      THR  38  14.626   6.087  -6.315
  269   2HG2  THR  38          2HG2      THR  38  15.276   7.729  -6.198
  270   3HG2  THR  38          3HG2      THR  38  16.192   6.362  -5.538
  271    H    THR  39           H        THR  39  12.128   5.184  -3.609
  272    HA   THR  39           HA       THR  39  10.101   4.578  -5.498
  273    HB   THR  39           HB       THR  39  12.234   2.671  -5.044
  274    HG1  THR  39           HG1      THR  39  13.517   4.313  -5.828
  275   1HG2  THR  39          1HG2      THR  39  11.679   1.950  -7.388
  276   2HG2  THR  39          2HG2      THR  39  10.283   1.920  -6.303
  277   3HG2  THR  39          3HG2      THR  39  10.483   3.279  -7.437
  278    H    CYS  40           H        CYS  40   9.411   2.435  -4.775
  279    HA   CYS  40           HA       CYS  40   8.445   2.067  -2.259
  280   1HB   CYS  40          1HB       CYS  40   9.352   0.177  -4.465
  281   2HB   CYS  40          2HB       CYS  40   8.892  -0.540  -2.941
  282    HA   PRO  41           HA       PRO  41  12.310   1.536   0.119
  283   1HB   PRO  41          1HB       PRO  41  11.280   1.603   2.610
  284   2HB   PRO  41          2HB       PRO  41  11.282   3.024   1.534
  285   1HG   PRO  41          1HG       PRO  41   9.017   1.071   1.989
  286   2HG   PRO  41          2HG       PRO  41   8.969   2.855   2.074
  287   1HD   PRO  41          1HD       PRO  41   8.212   1.576  -0.186
  288   2HD   PRO  41          2HD       PRO  41   9.139   3.091  -0.277
  289    H    SER  42           H        SER  42  13.018   0.263   1.935
  290    HA   SER  42           HA       SER  42  13.069  -2.558   1.519
  291   1HB   SER  42          1HB       SER  42  13.703  -0.800   3.927
  292   2HB   SER  42          2HB       SER  42  14.105  -2.528   3.807
  293    HG   SER  42           HG       SER  42  15.371  -2.010   1.959
  294    H    SER  43           H        SER  43  11.024  -0.373   3.469
  295    HA   SER  43           HA       SER  43  10.050  -2.491   5.259
  296   1HB   SER  43          2HB       SER  43  10.411  -0.214   6.055
  297   2HB   SER  43          1HB       SER  43   9.113   0.275   4.967
  298    HG   SER  43           HG       SER  43   7.749  -1.216   6.104
  299    H    HIS  44           H        HIS  44   9.209  -1.025   2.294
  300    HA   HIS  44           HA       HIS  44   6.718  -2.702   1.999
  301   1HB   HIS  44          1HB       HIS  44   6.912   0.279   1.444
  302   2HB   HIS  44          2HB       HIS  44   5.573  -0.774   1.004
  303    HD1  HIS  44           HD1      HIS  44   7.390   0.529   4.093
  304    HD2  HIS  44           HD2      HIS  44   3.763  -1.276   2.978
  305    HE1  HIS  44           HE1      HIS  44   5.932   0.447   6.181
  306    HE2  HIS  44           HE2      HIS  44   3.686  -0.625   5.501
  307    HA   PRO  45           HA       PRO  45   9.532  -2.956  -1.716
  308   1HB   PRO  45          1HB       PRO  45   9.068  -5.575  -2.425
  309   2HB   PRO  45          2HB       PRO  45  10.177  -5.078  -1.117
  310   1HG   PRO  45          1HG       PRO  45   7.257  -5.867  -0.848
  311   2HG   PRO  45          2HG       PRO  45   8.647  -6.566   0.037
  312   1HD   PRO  45          1HD       PRO  45   7.242  -4.599   1.206
  313   2HD   PRO  45          2HD       PRO  45   9.001  -4.509   1.250
  314    H    SER  46           H        SER  46   5.967  -3.905  -1.632
  315    HA   SER  46           HA       SER  46   5.980  -4.329  -4.507
  316   1HB   SER  46          1HB       SER  46   4.738  -5.876  -3.337
  317   2HB   SER  46          2HB       SER  46   4.090  -4.721  -2.204
  318    HG   SER  46           HG       SER  46   3.509  -4.932  -4.991
  319    HXT  SER  46           HO        OH  47   4.979  -1.204  -5.558
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   3.504   9.533  -4.883
    2   2H    LYS   1          2H        LYS   1   2.203   8.987  -4.036
    3   3H    LYS   1          3H        LYS   1   3.500   9.612  -3.239
    4    HA   LYS   1           HA       LYS   1   3.460   7.203  -4.857
    5   1HB   LYS   1          1HB       LYS   1   5.687   8.836  -4.171
    6   2HB   LYS   1          2HB       LYS   1   5.784   7.451  -3.099
    7   1HG   LYS   1          1HG       LYS   1   5.607   7.324  -6.134
    8   2HG   LYS   1          2HG       LYS   1   7.068   7.163  -5.153
    9   1HD   LYS   1          1HD       LYS   1   5.934   5.184  -3.987
   10   2HD   LYS   1          2HD       LYS   1   4.683   5.270  -5.230
   11   1HE   LYS   1          1HE       LYS   1   6.198   3.637  -6.048
   12   2HE   LYS   1          2HE       LYS   1   6.598   5.086  -6.973
   13   1HZ   LYS   1          1HZ       LYS   1   8.024   4.100  -4.599
   14   2HZ   LYS   1          2HZ       LYS   1   8.530   3.974  -6.160
   15   3HZ   LYS   1          3HZ       LYS   1   8.421   5.457  -5.448
   16    H    SER   2           H        SER   2   2.904   5.339  -3.839
   17    HA   SER   2           HA       SER   2   2.613   5.068  -0.891
   18   1HB   SER   2          1HB       SER   2   0.272   4.982  -2.860
   19   2HB   SER   2          2HB       SER   2   0.228   4.389  -1.195
   20    HG   SER   2           HG       SER   2   0.768   6.496  -0.499
   21    H    CYS   3           H        CYS   3   3.549   3.272  -0.449
   22    HA   CYS   3           HA       CYS   3   3.863   1.196  -2.538
   23   1HB   CYS   3          1HB       CYS   3   5.672   2.248  -0.367
   24   2HB   CYS   3          2HB       CYS   3   6.023   0.811  -1.325
   25    H    CYS   4           H        CYS   4   3.581  -1.058  -1.861
   26    HA   CYS   4           HA       CYS   4   2.251  -1.431   0.739
   27   1HB   CYS   4          1HB       CYS   4   2.043  -2.748  -1.988
   28   2HB   CYS   4          2HB       CYS   4   1.419  -3.476  -0.565
   29    H    ARG   5           H        ARG   5   2.538  -3.075   1.879
   30    HA   ARG   5           HA       ARG   5   5.070  -3.847   2.405
   31   1HB   ARG   5          1HB       ARG   5   3.355  -3.610   4.048
   32   2HB   ARG   5          2HB       ARG   5   2.260  -4.690   3.169
   33   1HG   ARG   5          1HG       ARG   5   2.877  -5.835   5.062
   34   2HG   ARG   5          2HG       ARG   5   3.688  -6.604   3.698
   35   1HD   ARG   5          1HD       ARG   5   5.374  -6.357   5.485
   36   2HD   ARG   5          2HD       ARG   5   5.761  -5.158   4.237
   37    HE   ARG   5           HE       ARG   5   4.059  -3.926   6.109
   38   1HH1  ARG   5          1HH1      ARG   5   7.357  -5.281   6.079
   39   2HH1  ARG   5          2HH1      ARG   5   7.949  -4.150   7.271
   40   1HH2  ARG   5          1HH2      ARG   5   4.873  -2.453   7.627
   41   2HH2  ARG   5          2HH2      ARG   5   6.538  -2.543   8.157
   42    H    ASN   6           H        ASN   6   2.959  -5.287   0.134
   43    HA   ASN   6           HA       ASN   6   4.791  -6.628  -1.173
   44   1HB   ASN   6          1HB       ASN   6   3.711  -9.093  -0.779
   45   2HB   ASN   6          2HB       ASN   6   5.182  -8.533  -0.005
   46   1HD2  ASN   6          2HD2      ASN   6   1.838  -7.578   0.945
   47   2HD2  ASN   6          1HD2      ASN   6   1.917  -8.351   2.522
   48    H    THR   7           H        THR   7   3.862  -8.069  -2.747
   49    HA   THR   7           HA       THR   7   1.954  -6.577  -4.337
   50    HB   THR   7           HB       THR   7   3.133  -9.238  -4.635
   51    HG1  THR   7           HG1      THR   7   3.689  -6.717  -5.797
   52   1HG2  THR   7          1HG2      THR   7   1.038  -9.147  -5.864
   53   2HG2  THR   7          2HG2      THR   7   1.387  -7.483  -6.403
   54   3HG2  THR   7          3HG2      THR   7   2.337  -8.856  -7.048
   55    H    LEU   8           H        LEU   8   1.830  -9.197  -2.024
   56    HA   LEU   8           HA       LEU   8  -0.849 -10.073  -2.117
   57   1HB   LEU   8          1HB       LEU   8   1.503 -10.407  -0.589
   58   2HB   LEU   8          2HB       LEU   8   0.590  -9.534   0.499
   59    HG   LEU   8           HG       LEU   8  -0.329 -12.182  -0.644
   60   1HD1  LEU   8          1HD1      LEU   8   1.508 -12.296   1.023
   61   2HD1  LEU   8          2HD1      LEU   8   0.564 -11.304   2.152
   62   3HD1  LEU   8          3HD1      LEU   8   0.001 -12.932   1.715
   63   1HD2  LEU   8          1HD2      LEU   8  -2.299 -10.756  -0.253
   64   2HD2  LEU   8          2HD2      LEU   8  -2.192 -11.938   1.058
   65   3HD2  LEU   8          3HD2      LEU   8  -1.674 -10.261   1.336
   66    H    ALA   9           H        ALA   9   0.840  -7.496  -0.577
   67    HA   ALA   9           HA       ALA   9  -1.446  -6.601   1.067
   68   1HB   ALA   9          1HB       ALA   9   1.149  -5.268   0.576
   69   2HB   ALA   9          2HB       ALA   9  -0.142  -4.613   1.586
   70   3HB   ALA   9          3HB       ALA   9   0.595  -6.187   2.009
   71    H    ARG  10           H        ARG  10   0.153  -5.542  -1.799
   72    HA   ARG  10           HA       ARG  10  -1.287  -3.372  -2.765
   73   1HB   ARG  10          1HB       ARG  10   0.939  -4.032  -3.420
   74   2HB   ARG  10          2HB       ARG  10   0.330  -5.626  -3.810
   75   1HG   ARG  10          1HG       ARG  10   0.943  -4.364  -5.833
   76   2HG   ARG  10          2HG       ARG  10  -0.723  -4.954  -5.798
   77   1HD   ARG  10          1HD       ARG  10  -0.584  -2.691  -6.527
   78   2HD   ARG  10          2HD       ARG  10  -1.517  -2.867  -4.997
   79    HE   ARG  10           HE       ARG  10   1.111  -2.182  -4.285
   80   1HH1  ARG  10          1HH1      ARG  10  -1.682  -0.594  -5.815
   81   2HH1  ARG  10          2HH1      ARG  10  -1.238   0.985  -5.213
   82   1HH2  ARG  10          1HH2      ARG  10   1.684  -0.127  -3.566
   83   2HH2  ARG  10          2HH2      ARG  10   0.682   1.255  -3.945
   84    H    ASN  11           H        ASN  11  -1.756  -6.828  -2.991
   85    HA   ASN  11           HA       ASN  11  -4.056  -6.663  -4.819
   86   1HB   ASN  11          1HB       ASN  11  -3.034  -8.990  -3.155
   87   2HB   ASN  11          2HB       ASN  11  -4.448  -9.070  -4.205
   88   1HD2  ASN  11          2HD2      ASN  11  -2.335 -10.817  -4.607
   89   2HD2  ASN  11          1HD2      ASN  11  -1.534 -10.404  -6.104
   90    H    CYS  12           H        CYS  12  -3.795  -7.343  -1.304
   91    HA   CYS  12           HA       CYS  12  -6.372  -7.024  -0.415
   92   1HB   CYS  12          1HB       CYS  12  -4.686  -7.757   1.071
   93   2HB   CYS  12          2HB       CYS  12  -3.679  -6.352   0.779
   94    H    TYR  13           H        TYR  13  -4.003  -4.545  -1.078
   95    HA   TYR  13           HA       TYR  13  -5.593  -2.305  -0.278
   96   1HB   TYR  13          1HB       TYR  13  -3.192  -2.178  -0.332
   97   2HB   TYR  13          2HB       TYR  13  -3.152  -2.558  -2.044
   98    HD1  TYR  13           HD1      TYR  13  -3.412   0.115   0.415
   99    HD2  TYR  13           HD2      TYR  13  -3.738  -0.886  -3.771
  100    HE1  TYR  13           HE1      TYR  13  -3.130   2.511  -0.179
  101    HE2  TYR  13           HE2      TYR  13  -3.515   1.511  -4.366
  102    HH   TYR  13           HH       TYR  13  -3.186   3.670  -3.572
  103    H    ASN  14           H        ASN  14  -5.027  -3.647  -3.521
  104    HA   ASN  14           HA       ASN  14  -6.741  -1.807  -4.936
  105   1HB   ASN  14          1HB       ASN  14  -5.750  -4.600  -5.666
  106   2HB   ASN  14          2HB       ASN  14  -6.578  -3.506  -6.770
  107   1HD2  ASN  14          2HD2      ASN  14  -3.782  -4.692  -6.869
  108   2HD2  ASN  14          1HD2      ASN  14  -2.739  -3.303  -7.078
  109    H    ALA  15           H        ALA  15  -7.160  -4.744  -3.170
  110    HA   ALA  15           HA       ALA  15  -9.907  -5.259  -3.953
  111   1HB   ALA  15          1HB       ALA  15  -8.455  -7.110  -3.195
  112   2HB   ALA  15          2HB       ALA  15  -8.288  -6.322  -1.605
  113   3HB   ALA  15          3HB       ALA  15  -9.869  -6.910  -2.130
  114    H    CYS  16           H        CYS  16  -8.283  -3.588  -1.117
  115    HA   CYS  16           HA       CYS  16 -10.772  -3.187   0.249
  116   1HB   CYS  16          1HB       CYS  16  -9.016  -2.970   1.668
  117   2HB   CYS  16          2HB       CYS  16  -7.924  -2.275   0.480
  118    H    ARG  17           H        ARG  17  -9.002  -1.661  -2.349
  119    HA   ARG  17           HA       ARG  17 -10.444   0.829  -2.455
  120   1HB   ARG  17          2HB       ARG  17  -8.086   0.364  -3.380
  121   2HB   ARG  17          1HB       ARG  17  -8.874  -0.521  -4.676
  122   1HG   ARG  17          1HG       ARG  17  -8.435   1.501  -5.653
  123   2HG   ARG  17          2HG       ARG  17 -10.119   1.730  -5.169
  124   1HD   ARG  17          1HD       ARG  17  -7.635   2.690  -3.654
  125   2HD   ARG  17          2HD       ARG  17  -8.644   3.701  -4.683
  126    HE   ARG  17           HE       ARG  17  -9.336   2.487  -2.051
  127   1HH1  ARG  17          1HH1      ARG  17 -10.324   4.785  -4.616
  128   2HH1  ARG  17          2HH1      ARG  17 -11.748   5.287  -3.737
  129   1HH2  ARG  17          1HH2      ARG  17 -11.215   3.140  -1.001
  130   2HH2  ARG  17          2HH2      ARG  17 -12.246   4.374  -1.690
  131    H    PHE  18           H        PHE  18 -10.803  -2.384  -3.934
  132    HA   PHE  18           HA       PHE  18 -13.110  -1.878  -5.526
  133   1HB   PHE  18          1HB       PHE  18 -11.560  -4.004  -5.317
  134   2HB   PHE  18          2HB       PHE  18 -12.614  -4.504  -4.057
  135    HD1  PHE  18           HD1      PHE  18 -15.030  -4.995  -4.428
  136    HD2  PHE  18           HD2      PHE  18 -12.349  -4.026  -7.681
  137    HE1  PHE  18           HE1      PHE  18 -16.665  -5.910  -6.057
  138    HE2  PHE  18           HE2      PHE  18 -13.995  -4.934  -9.305
  139    HZ   PHE  18           HZ       PHE  18 -16.156  -5.879  -8.496
  140    H    THR  19           H        THR  19 -12.727  -3.207  -2.175
  141    HA   THR  19           HA       THR  19 -15.428  -3.459  -1.621
  142    HB   THR  19           HB       THR  19 -14.740  -3.968   0.583
  143    HG1  THR  19           HG1      THR  19 -13.509  -2.222   1.018
  144   1HG2  THR  19          1HG2      THR  19 -12.353  -5.196  -0.239
  145   2HG2  THR  19          2HG2      THR  19 -13.963  -5.900  -0.145
  146   3HG2  THR  19          3HG2      THR  19 -13.420  -5.194  -1.657
  147    H    GLY  20           H        GLY  20 -14.306  -0.379  -2.035
  148   1HA   GLY  20          1HA       GLY  20 -15.316   1.616  -1.478
  149   2HA   GLY  20          2HA       GLY  20 -16.453   0.802  -0.404
  150    H    GLY  21           H        GLY  21 -13.747  -0.534   0.709
  151   1HA   GLY  21          1HA       GLY  21 -12.993   0.891   2.934
  152   2HA   GLY  21          2HA       GLY  21 -12.069  -0.324   2.037
  153    H    SER  22           H        SER  22 -12.231   2.841   2.829
  154    HA   SER  22           HA       SER  22 -11.467   4.384   0.726
  155   1HB   SER  22          2HB       SER  22 -10.926   4.884   3.565
  156   2HB   SER  22          1HB       SER  22 -11.070   6.064   2.283
  157    HG   SER  22           HG       SER  22 -13.251   5.385   2.022
  158    H    GLN  23           H        GLN  23  -9.582   5.528   0.932
  159    HA   GLN  23           HA       GLN  23  -7.294   3.984   0.003
  160   1HB   GLN  23          1HB       GLN  23  -7.258   7.000   0.468
  161   2HB   GLN  23          2HB       GLN  23  -6.163   6.018  -0.512
  162   1HG   GLN  23          1HG       GLN  23  -8.137   5.332  -1.916
  163   2HG   GLN  23          2HG       GLN  23  -9.143   6.477  -1.003
  164   1HE2  GLN  23          2HE2      GLN  23  -9.161   6.849  -3.648
  165   2HE2  GLN  23          1HE2      GLN  23  -8.186   8.228  -4.116
  166    HA   PRO  24           HA       PRO  24  -5.457   5.194   4.321
  167   1HB   PRO  24          1HB       PRO  24  -8.184   5.529   5.720
  168   2HB   PRO  24          2HB       PRO  24  -6.661   6.246   6.153
  169   1HG   PRO  24          1HG       PRO  24  -8.562   7.700   4.837
  170   2HG   PRO  24          2HG       PRO  24  -6.895   7.798   4.170
  171   1HD   PRO  24          2HD       PRO  24  -9.045   5.768   3.450
  172   2HD   PRO  24          1HD       PRO  24  -8.382   6.910   2.328
  173    H    THR  25           H        THR  25  -8.646   3.815   4.502
  174    HA   THR  25           HA       THR  25  -8.040   1.693   6.290
  175    HB   THR  25           HB       THR  25 -10.010   1.921   4.140
  176    HG1  THR  25           HG1      THR  25 -10.259   1.992   6.949
  177   1HG2  THR  25          1HG2      THR  25  -9.659  -0.526   4.439
  178   2HG2  THR  25          2HG2      THR  25  -9.681  -0.312   6.197
  179   3HG2  THR  25          3HG2      THR  25 -11.167  -0.122   5.248
  180    H    CYS  26           H        CYS  26  -7.504   1.876   2.858
  181    HA   CYS  26           HA       CYS  26  -6.609  -0.882   2.614
  182   1HB   CYS  26          1HB       CYS  26  -5.953   1.448   0.724
  183   2HB   CYS  26          2HB       CYS  26  -5.894  -0.271   0.372
  184    H    GLY  27           H        GLY  27  -4.873   2.192   2.653
  185   1HA   GLY  27          1HA       GLY  27  -2.334   1.001   2.970
  186   2HA   GLY  27          2HA       GLY  27  -2.729   2.690   3.355
  187    H    ILE  28           H        ILE  28  -4.836   1.297   5.319
  188    HA   ILE  28           HA       ILE  28  -2.947   0.811   7.490
  189    HB   ILE  28           HB       ILE  28  -5.976   0.944   7.382
  190   1HG1  ILE  28          1HG1      ILE  28  -4.097   2.792   8.965
  191   2HG1  ILE  28          2HG1      ILE  28  -4.372   3.116   7.262
  192   1HG2  ILE  28          1HG2      ILE  28  -5.550  -0.604   9.102
  193   2HG2  ILE  28          2HG2      ILE  28  -4.221   0.381   9.756
  194   3HG2  ILE  28          3HG2      ILE  28  -5.922   0.923   9.886
  195   1HD1  ILE  28          1HD1      ILE  28  -6.833   3.186   7.654
  196   2HD1  ILE  28          2HD1      ILE  28  -6.532   2.993   9.396
  197   3HD1  ILE  28          3HD1      ILE  28  -5.922   4.429   8.536
  198    H    LEU  29           H        LEU  29  -5.649  -0.894   6.029
  199    HA   LEU  29           HA       LEU  29  -5.382  -3.064   7.903
  200   1HB   LEU  29          1HB       LEU  29  -6.885  -3.030   5.244
  201   2HB   LEU  29          2HB       LEU  29  -6.943  -4.374   6.387
  202    HG   LEU  29           HG       LEU  29  -7.819  -1.555   6.951
  203   1HD1  LEU  29          1HD1      LEU  29  -9.299  -2.772   5.330
  204   2HD1  LEU  29          2HD1      LEU  29  -9.446  -4.116   6.478
  205   3HD1  LEU  29          3HD1      LEU  29 -10.142  -2.535   6.869
  206   1HD2  LEU  29          1HD2      LEU  29  -8.049  -4.067   8.672
  207   2HD2  LEU  29          2HD2      LEU  29  -7.164  -2.574   9.069
  208   3HD2  LEU  29          3HD2      LEU  29  -8.922  -2.562   8.988
  209    H    CYS  30           H        CYS  30  -4.582  -2.439   4.631
  210    HA   CYS  30           HA       CYS  30  -2.954  -4.882   4.215
  211   1HB   CYS  30          1HB       CYS  30  -3.099  -2.496   2.360
  212   2HB   CYS  30          2HB       CYS  30  -2.656  -4.143   2.017
  213    H    ASP  31           H        ASP  31  -2.330  -1.963   5.871
  214    HA   ASP  31           HA       ASP  31  -0.482  -0.945   6.556
  215   1HB   ASP  31          1HB       ASP  31  -0.001  -3.493   7.034
  216   2HB   ASP  31          2HB       ASP  31   1.177  -3.362   5.735
  217    HD2  ASP  31           HD2      ASP  31   3.066  -2.536   6.223
  218    H    CYS  32           H        CYS  32  -1.184  -0.300   3.923
  219    HA   CYS  32           HA       CYS  32   1.454  -0.004   2.444
  220   1HB   CYS  32          1HB       CYS  32  -1.226   0.801   1.283
  221   2HB   CYS  32          2HB       CYS  32   0.320   0.736   0.522
  222    H    ILE  33           H        ILE  33   2.338   2.096   1.901
  223    HA   ILE  33           HA       ILE  33   1.631   4.048   4.080
  224    HB   ILE  33           HB       ILE  33   4.087   4.377   4.267
  225   1HG1  ILE  33          1HG1      ILE  33   4.408   1.862   2.585
  226   2HG1  ILE  33          2HG1      ILE  33   4.597   3.476   1.889
  227   1HG2  ILE  33          1HG2      ILE  33   3.171   1.522   4.732
  228   2HG2  ILE  33          2HG2      ILE  33   4.477   2.377   5.585
  229   3HG2  ILE  33          3HG2      ILE  33   2.811   2.901   5.772
  230   1HD1  ILE  33          1HD1      ILE  33   6.448   3.962   3.370
  231   2HD1  ILE  33          2HD1      ILE  33   6.230   2.448   4.247
  232   3HD1  ILE  33          3HD1      ILE  33   6.738   2.412   2.555
  233    H    HIS  34           H        HIS  34   3.568   5.936   3.329
  234    HA   HIS  34           HA       HIS  34   3.124   6.574   0.552
  235   1HB   HIS  34          1HB       HIS  34   1.262   7.789   1.726
  236   2HB   HIS  34          2HB       HIS  34   2.456   8.622   2.733
  237    HD1  HIS  34           HD1      HIS  34   4.387   9.977   1.109
  238    HD2  HIS  34           HD2      HIS  34   0.537   9.189  -0.438
  239    HE1  HIS  34           HE1      HIS  34   4.045  11.526  -0.891
  240    HE2  HIS  34           HE2      HIS  34   1.709  11.067  -1.837
  241    H    VAL  35           H        VAL  35   5.016   6.905  -0.292
  242    HA   VAL  35           HA       VAL  35   7.237   7.892   1.441
  243    HB   VAL  35           HB       VAL  35   8.750   7.006  -0.038
  244   1HG1  VAL  35          1HG1      VAL  35   8.827   4.797   0.578
  245   2HG1  VAL  35          2HG1      VAL  35   8.239   5.806   1.905
  246   3HG1  VAL  35          3HG1      VAL  35   7.084   4.787   0.954
  247   1HG2  VAL  35          1HG2      VAL  35   7.769   6.739  -2.186
  248   2HG2  VAL  35          2HG2      VAL  35   8.332   5.170  -1.624
  249   3HG2  VAL  35          3HG2      VAL  35   6.595   5.543  -1.533
  250    H    THR  36           H        THR  36   8.446   9.432   0.806
  251    HA   THR  36           HA       THR  36   8.318  10.413  -1.975
  252    HB   THR  36           HB       THR  36   9.193  12.596  -1.295
  253    HG1  THR  36           HG1      THR  36   9.057  13.175   0.915
  254   1HG2  THR  36          1HG2      THR  36   7.071  13.509  -0.474
  255   2HG2  THR  36          2HG2      THR  36   6.751  12.213  -1.640
  256   3HG2  THR  36          3HG2      THR  36   6.557  11.912   0.103
  257    H    THR  37           H        THR  37   9.316   8.107  -1.318
  258    HA   THR  37           HA       THR  37  12.071   8.116  -0.657
  259    HB   THR  37           HB       THR  37  10.594   5.827  -1.505
  260    HG1  THR  37           HG1      THR  37  11.459   6.826   1.048
  261   1HG2  THR  37          1HG2      THR  37  12.879   5.170  -1.753
  262   2HG2  THR  37          2HG2      THR  37  13.350   6.099  -0.311
  263   3HG2  THR  37          3HG2      THR  37  12.404   4.611  -0.173
  264    H    THR  38           H        THR  38  13.154   6.874  -2.331
  265    HA   THR  38           HA       THR  38  13.364   8.018  -5.041
  266    HB   THR  38           HB       THR  38  14.794   5.698  -3.953
  267    HG1  THR  38           HG1      THR  38  15.539   8.422  -4.099
  268   1HG2  THR  38          1HG2      THR  38  16.465   6.173  -5.741
  269   2HG2  THR  38          2HG2      THR  38  14.889   5.767  -6.433
  270   3HG2  THR  38          3HG2      THR  38  15.417   7.462  -6.359
  271    H    THR  39           H        THR  39  12.280   4.870  -3.577
  272    HA   THR  39           HA       THR  39  10.624   4.011  -5.758
  273    HB   THR  39           HB       THR  39  12.626   2.237  -4.667
  274    HG1  THR  39           HG1      THR  39  14.175   2.719  -6.288
  275   1HG2  THR  39          1HG2      THR  39  12.585   1.255  -6.964
  276   2HG2  THR  39          2HG2      THR  39  10.981   1.346  -6.230
  277   3HG2  THR  39          3HG2      THR  39  11.470   2.558  -7.446
  278    H    CYS  40           H        CYS  40   9.795   1.959  -4.936
  279    HA   CYS  40           HA       CYS  40   8.661   2.278  -2.355
  280   1HB   CYS  40          1HB       CYS  40   8.476   0.031  -4.398
  281   2HB   CYS  40          2HB       CYS  40   7.705  -0.089  -2.828
  282    HA   PRO  41           HA       PRO  41  12.129   1.089  -0.105
  283   1HB   PRO  41          2HB       PRO  41  10.600   0.406   2.285
  284   2HB   PRO  41          1HB       PRO  41  11.559   1.814   2.010
  285   1HG   PRO  41          1HG       PRO  41   8.676   1.165   1.827
  286   2HG   PRO  41          2HG       PRO  41   9.414   2.754   1.954
  287   1HD   PRO  41          1HD       PRO  41   8.204   1.724  -0.360
  288   2HD   PRO  41          2HD       PRO  41   9.502   2.949  -0.397
  289    H    SER  42           H        SER  42  13.070  -0.382   1.420
  290    HA   SER  42           HA       SER  42  12.845  -3.221   1.200
  291   1HB   SER  42          1HB       SER  42  13.780  -1.352   3.426
  292   2HB   SER  42          2HB       SER  42  13.983  -3.120   3.429
  293    HG   SER  42           HG       SER  42  15.035  -1.320   1.502
  294    H    SER  43           H        SER  43  11.254  -0.705   3.379
  295    HA   SER  43           HA       SER  43  10.040  -2.577   5.132
  296   1HB   SER  43          2HB       SER  43   9.524   0.252   4.514
  297   2HB   SER  43          1HB       SER  43   8.819  -0.621   5.866
  298    HG   SER  43           HG       SER  43  11.582  -0.189   5.421
  299    H    HIS  44           H        HIS  44   9.201  -1.191   2.092
  300    HA   HIS  44           HA       HIS  44   6.561  -2.632   1.907
  301   1HB   HIS  44          1HB       HIS  44   6.773   0.345   1.544
  302   2HB   HIS  44          2HB       HIS  44   5.424  -0.671   1.119
  303    HD1  HIS  44           HD1      HIS  44   7.412   0.375   4.217
  304    HD2  HIS  44           HD2      HIS  44   3.762  -1.454   3.161
  305    HE1  HIS  44           HE1      HIS  44   6.092   0.024   6.376
  306    HE2  HIS  44           HE2      HIS  44   3.862  -1.071   5.737
  307    HA   PRO  45           HA       PRO  45   9.368  -2.893  -1.814
  308   1HB   PRO  45          1HB       PRO  45   8.897  -5.503  -2.499
  309   2HB   PRO  45          2HB       PRO  45  10.023  -4.995  -1.213
  310   1HG   PRO  45          1HG       PRO  45   7.128  -5.836  -0.883
  311   2HG   PRO  45          2HG       PRO  45   8.555  -6.465  -0.003
  312   1HD   PRO  45          1HD       PRO  45   7.030  -4.541   1.086
  313   2HD   PRO  45          2HD       PRO  45   8.798  -4.398   1.207
  314    H    SER  46           H        SER  46   5.812  -3.689  -1.643
  315    HA   SER  46           HA       SER  46   5.687  -3.575  -4.620
  316   1HB   SER  46          1HB       SER  46   4.598  -5.450  -3.519
  317   2HB   SER  46          2HB       SER  46   3.684  -4.358  -2.490
  318    HG   SER  46           HG       SER  46   3.637  -4.518  -5.339
  319    HXT  SER  46           HO        OH  47   3.301  -0.811  -4.509
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1   3.251   9.339  -5.032
    2   2H    LYS   1          2H        LYS   1   2.028   8.788  -4.081
    3   3H    LYS   1          3H        LYS   1   3.382   9.420  -3.392
    4    HA   LYS   1           HA       LYS   1   3.216   7.007  -4.996
    5   1HB   LYS   1          1HB       LYS   1   5.438   8.625  -4.683
    6   2HB   LYS   1          2HB       LYS   1   5.706   7.435  -3.431
    7   1HG   LYS   1          1HG       LYS   1   5.157   6.827  -6.369
    8   2HG   LYS   1          2HG       LYS   1   6.752   6.965  -5.625
    9   1HD   LYS   1          1HD       LYS   1   6.230   5.015  -4.135
   10   2HD   LYS   1          2HD       LYS   1   4.665   4.831  -4.907
   11   1HE   LYS   1          1HE       LYS   1   6.314   3.280  -5.889
   12   2HE   LYS   1          2HE       LYS   1   5.738   4.429  -7.105
   13   1HZ   LYS   1          1HZ       LYS   1   7.756   5.626  -6.856
   14   2HZ   LYS   1          2HZ       LYS   1   8.242   4.667  -5.613
   15   3HZ   LYS   1          3HZ       LYS   1   8.108   4.037  -7.130
   16    H    SER   2           H        SER   2   2.926   5.089  -3.962
   17    HA   SER   2           HA       SER   2   2.665   4.882  -1.024
   18   1HB   SER   2          1HB       SER   2   0.294   4.726  -2.952
   19   2HB   SER   2          2HB       SER   2   0.278   4.123  -1.283
   20    HG   SER   2           HG       SER   2   0.804   6.802  -2.048
   21    H    CYS   3           H        CYS   3   3.398   2.994  -0.451
   22    HA   CYS   3           HA       CYS   3   3.644   0.814  -2.463
   23   1HB   CYS   3          1HB       CYS   3   5.678   2.029  -0.580
   24   2HB   CYS   3          2HB       CYS   3   5.917   0.525  -1.466
   25    H    CYS   4           H        CYS   4   3.748  -1.341  -1.578
   26    HA   CYS   4           HA       CYS   4   2.476  -1.722   1.055
   27   1HB   CYS   4          1HB       CYS   4   2.271  -3.020  -1.677
   28   2HB   CYS   4          2HB       CYS   4   1.571  -3.702  -0.246
   29    H    ARG   5           H        ARG   5   2.839  -3.467   2.270
   30    HA   ARG   5           HA       ARG   5   5.459  -4.145   2.517
   31   1HB   ARG   5          1HB       ARG   5   3.448  -6.259   3.190
   32   2HB   ARG   5          2HB       ARG   5   4.984  -5.857   3.988
   33   1HG   ARG   5          1HG       ARG   5   2.449  -4.181   4.034
   34   2HG   ARG   5          2HG       ARG   5   2.798  -5.449   5.197
   35   1HD   ARG   5          1HD       ARG   5   4.684  -3.106   4.703
   36   2HD   ARG   5          2HD       ARG   5   3.524  -3.149   6.051
   37    HE   ARG   5           HE       ARG   5   5.110  -5.498   6.026
   38   1HH1  ARG   5          1HH1      ARG   5   5.431  -2.040   6.809
   39   2HH1  ARG   5          2HH1      ARG   5   6.808  -2.287   7.855
   40   1HH2  ARG   5          1HH2      ARG   5   6.886  -5.792   7.426
   41   2HH2  ARG   5          2HH2      ARG   5   7.625  -4.413   8.214
   42    H    ASN   6           H        ASN   6   3.065  -5.457   0.357
   43    HA   ASN   6           HA       ASN   6   4.803  -7.125  -1.003
   44   1HB   ASN   6          1HB       ASN   6   2.640  -8.166   0.919
   45   2HB   ASN   6          2HB       ASN   6   3.046  -9.134  -0.497
   46   1HD2  ASN   6          2HD2      ASN   6   3.264  -9.708   2.291
   47   2HD2  ASN   6          1HD2      ASN   6   4.919 -10.289   2.508
   48    H    THR   7           H        THR   7   3.547  -8.481  -2.353
   49    HA   THR   7           HA       THR   7   1.961  -6.811  -4.207
   50    HB   THR   7           HB       THR   7   2.994  -9.551  -4.367
   51    HG1  THR   7           HG1      THR   7   4.434  -8.547  -5.857
   52   1HG2  THR   7          1HG2      THR   7   2.401  -9.170  -6.819
   53   2HG2  THR   7          2HG2      THR   7   0.988  -9.275  -5.734
   54   3HG2  THR   7          3HG2      THR   7   1.555  -7.684  -6.290
   55    H    LEU   8           H        LEU   8   1.659  -9.438  -1.891
   56    HA   LEU   8           HA       LEU   8  -1.072 -10.107  -1.989
   57   1HB   LEU   8          1HB       LEU   8   1.245 -10.623  -0.461
   58   2HB   LEU   8          2HB       LEU   8   0.396  -9.705   0.650
   59    HG   LEU   8           HG       LEU   8  -0.711 -12.252  -0.585
   60   1HD1  LEU   8          1HD2      LEU   8   0.247 -11.574   2.241
   61   2HD1  LEU   8          2HD2      LEU   8  -0.433 -13.129   1.728
   62   3HD1  LEU   8          3HD2      LEU   8   1.123 -12.580   1.075
   63   1HD2  LEU   8          1HD1      LEU   8  -1.908 -10.326   1.472
   64   2HD2  LEU   8          2HD1      LEU   8  -2.571 -10.717  -0.124
   65   3HD2  LEU   8          3HD1      LEU   8  -2.536 -11.954   1.140
   66    H    ALA   9           H        ALA   9   0.804  -7.677  -0.436
   67    HA   ALA   9           HA       ALA   9  -1.507  -6.648   1.123
   68   1HB   ALA   9          1HB       ALA   9   0.000  -4.791   1.775
   69   2HB   ALA   9          2HB       ALA   9   0.571  -6.443   2.176
   70   3HB   ALA   9          3HB       ALA   9   1.248  -5.560   0.783
   71    H    ARG  10           H        ARG  10   0.275  -5.634  -1.638
   72    HA   ARG  10           HA       ARG  10  -1.068  -3.395  -2.591
   73   1HB   ARG  10          1HB       ARG  10   1.124  -4.123  -3.237
   74   2HB   ARG  10          2HB       ARG  10   0.470  -5.711  -3.631
   75   1HG   ARG  10          1HG       ARG  10   1.183  -4.444  -5.617
   76   2HG   ARG  10          2HG       ARG  10  -0.502  -4.991  -5.650
   77   1HD   ARG  10          1HD       ARG  10  -0.263  -2.714  -6.354
   78   2HD   ARG  10          2HD       ARG  10  -1.273  -2.892  -4.870
   79    HE   ARG  10           HE       ARG  10   1.338  -2.281  -4.037
   80   1HH1  ARG  10          1HH1      ARG  10  -1.333  -0.599  -5.697
   81   2HH1  ARG  10          2HH1      ARG  10  -0.895   0.954  -5.028
   82   1HH2  ARG  10          1HH2      ARG  10   1.860  -0.274  -3.188
   83   2HH2  ARG  10          2HH2      ARG  10   0.940   1.150  -3.628
   84    H    ASN  11           H        ASN  11  -1.705  -6.831  -2.903
   85    HA   ASN  11           HA       ASN  11  -3.920  -6.288  -4.775
   86   1HB   ASN  11          1HB       ASN  11  -4.480  -8.513  -4.991
   87   2HB   ASN  11          2HB       ASN  11  -2.741  -8.258  -5.200
   88   1HD2  ASN  11          2HD2      ASN  11  -1.988 -10.275  -4.833
   89   2HD2  ASN  11          1HD2      ASN  11  -2.312 -11.227  -3.401
   90    H    CYS  12           H        CYS  12  -3.778  -7.272  -1.362
   91    HA   CYS  12           HA       CYS  12  -6.388  -6.893  -0.532
   92   1HB   CYS  12          1HB       CYS  12  -4.736  -7.776   0.948
   93   2HB   CYS  12          2HB       CYS  12  -3.720  -6.359   0.782
   94    H    TYR  13           H        TYR  13  -3.853  -4.501  -0.950
   95    HA   TYR  13           HA       TYR  13  -5.399  -2.242  -0.166
   96   1HB   TYR  13          1HB       TYR  13  -3.015  -2.185  -0.104
   97   2HB   TYR  13          2HB       TYR  13  -2.885  -2.506  -1.827
   98    HD1  TYR  13           HD1      TYR  13  -3.246   0.071   0.720
   99    HD2  TYR  13           HD2      TYR  13  -3.283  -0.757  -3.514
  100    HE1  TYR  13           HE1      TYR  13  -2.858   2.480   0.250
  101    HE2  TYR  13           HE2      TYR  13  -2.916   1.644  -3.993
  102    HH   TYR  13           HH       TYR  13  -2.582   3.767  -3.092
  103    H    ASN  14           H        ASN  14  -4.797  -3.507  -3.421
  104    HA   ASN  14           HA       ASN  14  -6.315  -1.525  -4.869
  105   1HB   ASN  14          1HB       ASN  14  -5.437  -4.340  -5.615
  106   2HB   ASN  14          2HB       ASN  14  -6.161  -3.183  -6.732
  107   1HD2  ASN  14          2HD2      ASN  14  -3.499  -4.492  -6.886
  108   2HD2  ASN  14          1HD2      ASN  14  -2.340  -3.186  -6.958
  109    H    ALA  15           H        ALA  15  -6.964  -4.487  -3.219
  110    HA   ALA  15           HA       ALA  15  -9.698  -4.853  -4.157
  111   1HB   ALA  15          1HB       ALA  15  -8.373  -6.799  -3.477
  112   2HB   ALA  15          2HB       ALA  15  -8.172  -6.119  -1.843
  113   3HB   ALA  15          3HB       ALA  15  -9.781  -6.601  -2.415
  114    H    CYS  16           H        CYS  16  -8.148  -3.354  -1.158
  115    HA   CYS  16           HA       CYS  16 -10.715  -2.847   0.036
  116   1HB   CYS  16          1HB       CYS  16  -9.034  -2.819   1.573
  117   2HB   CYS  16          2HB       CYS  16  -7.845  -2.091   0.499
  118    H    ARG  17           H        ARG  17  -8.652  -1.379  -2.402
  119    HA   ARG  17           HA       ARG  17 -10.072   1.124  -2.556
  120   1HB   ARG  17          2HB       ARG  17  -7.634   0.696  -3.273
  121   2HB   ARG  17          1HB       ARG  17  -8.293  -0.131  -4.676
  122   1HG   ARG  17          1HG       ARG  17  -7.807   1.961  -5.510
  123   2HG   ARG  17          2HG       ARG  17  -9.522   2.146  -5.151
  124   1HD   ARG  17          1HD       ARG  17  -7.169   3.037  -3.406
  125   2HD   ARG  17          2HD       ARG  17  -8.134   4.104  -4.412
  126    HE   ARG  17           HE       ARG  17  -8.931   2.723  -1.905
  127   1HH1  ARG  17          1HH1      ARG  17  -9.900   5.069  -4.420
  128   2HH1  ARG  17          2HH1      ARG  17 -11.411   5.432  -3.621
  129   1HH2  ARG  17          1HH2      ARG  17 -10.895   3.216  -0.927
  130   2HH2  ARG  17          2HH2      ARG  17 -11.957   4.412  -1.636
  131    H    PHE  18           H        PHE  18 -10.431  -2.072  -4.052
  132    HA   PHE  18           HA       PHE  18 -12.614  -1.451  -5.789
  133   1HB   PHE  18          1HB       PHE  18 -11.262  -3.709  -5.452
  134   2HB   PHE  18          2HB       PHE  18 -12.404  -4.060  -4.226
  135    HD1  PHE  18           HD1      PHE  18 -11.984  -3.763  -7.851
  136    HD2  PHE  18           HD2      PHE  18 -14.834  -4.306  -4.646
  137    HE1  PHE  18           HE1      PHE  18 -13.670  -4.578  -9.485
  138    HE2  PHE  18           HE2      PHE  18 -16.518  -5.119  -6.287
  139    HZ   PHE  18           HZ       PHE  18 -15.935  -5.265  -8.708
  140    H    THR  19           H        THR  19 -12.460  -2.724  -2.386
  141    HA   THR  19           HA       THR  19 -15.208  -2.402  -1.858
  142    HB   THR  19           HB       THR  19 -14.746  -3.076   0.244
  143    HG1  THR  19           HG1      THR  19 -12.798  -2.895   1.312
  144   1HG2  THR  19          1HG2      THR  19 -13.938  -5.096  -0.155
  145   2HG2  THR  19          2HG2      THR  19 -13.557  -4.545  -1.786
  146   3HG2  THR  19          3HG2      THR  19 -12.332  -4.485  -0.501
  147    H    GLY  20           H        GLY  20 -15.840  -1.245   0.311
  148   1HA   GLY  20          1HA       GLY  20 -15.782   1.673  -0.191
  149   2HA   GLY  20          2HA       GLY  20 -16.824   0.778   0.922
  150    H    GLY  21           H        GLY  21 -13.398   0.165   0.735
  151   1HA   GLY  21          1HA       GLY  21 -12.737   1.345   3.360
  152   2HA   GLY  21          2HA       GLY  21 -11.856   0.080   2.496
  153    H    SER  22           H        SER  22 -11.962   3.347   3.046
  154    HA   SER  22           HA       SER  22 -11.187   4.682   0.773
  155   1HB   SER  22          2HB       SER  22 -10.663   5.271   3.601
  156   2HB   SER  22          1HB       SER  22 -10.639   6.429   2.284
  157    HG   SER  22           HG       SER  22 -12.862   5.985   1.950
  158    H    GLN  23           H        GLN  23  -9.195   5.785   0.989
  159    HA   GLN  23           HA       GLN  23  -7.068   3.982   0.132
  160   1HB   GLN  23          1HB       GLN  23  -6.518   6.964   0.415
  161   2HB   GLN  23          2HB       GLN  23  -5.764   5.755  -0.594
  162   1HG   GLN  23          1HG       GLN  23  -7.071   7.063  -2.035
  163   2HG   GLN  23          2HG       GLN  23  -7.917   5.530  -1.875
  164   1HE2  GLN  23          2HE2      GLN  23  -7.764   8.837  -0.378
  165   2HE2  GLN  23          1HE2      GLN  23  -9.489   9.005  -0.135
  166    HA   PRO  24           HA       PRO  24  -5.010   5.263   4.346
  167   1HB   PRO  24          1HB       PRO  24  -7.733   5.902   5.669
  168   2HB   PRO  24          2HB       PRO  24  -6.151   6.435   6.179
  169   1HG   PRO  24          1HG       PRO  24  -7.761   8.110   4.774
  170   2HG   PRO  24          2HG       PRO  24  -6.077   7.948   4.171
  171   1HD   PRO  24          1HD       PRO  24  -8.521   6.339   3.324
  172   2HD   PRO  24          2HD       PRO  24  -7.461   7.299   2.278
  173    H    THR  25           H        THR  25  -8.299   4.127   4.574
  174    HA   THR  25           HA       THR  25  -7.807   1.993   6.392
  175    HB   THR  25           HB       THR  25  -9.803   2.324   4.289
  176    HG1  THR  25           HG1      THR  25 -10.005   3.560   6.157
  177   1HG2  THR  25          1HG2      THR  25 -10.974   0.248   5.359
  178   2HG2  THR  25          2HG2      THR  25  -9.503  -0.143   4.475
  179   3HG2  THR  25          3HG2      THR  25  -9.449  -0.030   6.229
  180    H    CYS  26           H        CYS  26  -7.364   2.067   2.918
  181    HA   CYS  26           HA       CYS  26  -6.667  -0.745   2.748
  182   1HB   CYS  26          1HB       CYS  26  -5.794   1.477   0.805
  183   2HB   CYS  26          2HB       CYS  26  -5.876  -0.249   0.492
  184    H    GLY  27           H        GLY  27  -4.654   2.160   2.791
  185   1HA   GLY  27          1HA       GLY  27  -2.240   0.713   3.120
  186   2HA   GLY  27          2HA       GLY  27  -2.432   2.429   3.505
  187    H    ILE  28           H        ILE  28  -4.697   1.372   5.493
  188    HA   ILE  28           HA       ILE  28  -2.891   0.608   7.644
  189    HB   ILE  28           HB       ILE  28  -5.904   0.970   7.502
  190   1HG1  ILE  28          1HG1      ILE  28  -3.921   2.603   9.173
  191   2HG1  ILE  28          2HG1      ILE  28  -4.134   3.002   7.475
  192   1HG2  ILE  28          1HG2      ILE  28  -4.218   0.164   9.853
  193   2HG2  ILE  28          2HG2      ILE  28  -5.856   0.861  10.014
  194   3HG2  ILE  28          3HG2      ILE  28  -5.634  -0.662   9.166
  195   1HD1  ILE  28          1HD1      ILE  28  -6.352   2.969   9.545
  196   2HD1  ILE  28          2HD1      ILE  28  -5.606   4.397   8.781
  197   3HD1  ILE  28          3HD1      ILE  28  -6.568   3.273   7.810
  198    H    LEU  29           H        LEU  29  -5.658  -0.864   6.103
  199    HA   LEU  29           HA       LEU  29  -5.725  -3.086   7.848
  200   1HB   LEU  29          1HB       LEU  29  -7.823  -3.192   7.177
  201   2HB   LEU  29          2HB       LEU  29  -7.519  -1.976   5.995
  202    HG   LEU  29           HG       LEU  29  -6.641  -3.791   4.542
  203   1HD1  LEU  29          1HD1      LEU  29  -8.454  -5.491   6.334
  204   2HD1  LEU  29          2HD1      LEU  29  -7.706  -6.039   4.823
  205   3HD1  LEU  29          3HD1      LEU  29  -6.702  -5.687   6.238
  206   1HD2  LEU  29          1HD2      LEU  29  -9.617  -3.582   5.122
  207   2HD2  LEU  29          2HD2      LEU  29  -8.669  -2.537   4.031
  208   3HD2  LEU  29          3HD2      LEU  29  -8.930  -4.242   3.623
  209    H    CYS  30           H        CYS  30  -4.527  -2.438   4.690
  210    HA   CYS  30           HA       CYS  30  -3.185  -5.065   4.381
  211   1HB   CYS  30          1HB       CYS  30  -3.119  -2.706   2.479
  212   2HB   CYS  30          2HB       CYS  30  -2.759  -4.390   2.164
  213    H    ASP  31           H        ASP  31  -2.368  -2.152   5.974
  214    HA   ASP  31           HA       ASP  31  -0.412  -1.279   6.658
  215   1HB   ASP  31          1HB       ASP  31   0.695  -4.055   6.058
  216   2HB   ASP  31          2HB       ASP  31   1.453  -2.818   7.055
  217    HD2  ASP  31           HD2      ASP  31  -1.314  -4.903   6.790
  218    H    CYS  32           H        CYS  32  -1.002  -0.507   4.150
  219    HA   CYS  32           HA       CYS  32   1.660  -0.274   2.697
  220   1HB   CYS  32          1HB       CYS  32  -0.979   0.664   1.558
  221   2HB   CYS  32          2HB       CYS  32   0.548   0.576   0.788
  222    H    ILE  33           H        ILE  33   2.187   2.082   1.884
  223    HA   ILE  33           HA       ILE  33   1.554   4.030   4.071
  224    HB   ILE  33           HB       ILE  33   4.042   4.535   4.049
  225   1HG1  ILE  33          1HG1      ILE  33   4.348   1.848   2.675
  226   2HG1  ILE  33          2HG1      ILE  33   4.391   3.366   1.776
  227   1HG2  ILE  33          1HG2      ILE  33   2.994   3.288   5.853
  228   2HG2  ILE  33          2HG2      ILE  33   3.235   1.774   4.984
  229   3HG2  ILE  33          3HG2      ILE  33   4.630   2.712   5.549
  230   1HD1  ILE  33          1HD1      ILE  33   6.309   2.637   4.024
  231   2HD1  ILE  33          2HD1      ILE  33   6.639   2.573   2.281
  232   3HD1  ILE  33          3HD1      ILE  33   6.316   4.131   3.070
  233    H    HIS  34           H        HIS  34   3.144   6.045   3.279
  234    HA   HIS  34           HA       HIS  34   2.841   6.452   0.429
  235   1HB   HIS  34          1HB       HIS  34   0.911   7.666   1.503
  236   2HB   HIS  34          2HB       HIS  34   2.053   8.578   2.491
  237    HD1  HIS  34           HD1      HIS  34   0.354   8.604  -0.793
  238    HD2  HIS  34           HD2      HIS  34   3.863  10.254   0.886
  239    HE1  HIS  34           HE1      HIS  34   1.143  10.474  -2.350
  240    HE2  HIS  34           HE2      HIS  34   3.284  11.464  -1.347
  241    H    VAL  35           H        VAL  35   4.683   6.790  -0.373
  242    HA   VAL  35           HA       VAL  35   6.935   7.878   1.269
  243    HB   VAL  35           HB       VAL  35   8.399   6.932  -0.301
  244   1HG1  VAL  35          1HG1      VAL  35   6.879   4.728   0.812
  245   2HG1  VAL  35          2HG1      VAL  35   8.597   4.834   0.332
  246   3HG1  VAL  35          3HG1      VAL  35   8.047   5.822   1.684
  247   1HG2  VAL  35          1HG2      VAL  35   7.445   6.472  -2.370
  248   2HG2  VAL  35          2HG2      VAL  35   7.422   4.856  -1.651
  249   3HG2  VAL  35          3HG2      VAL  35   5.944   5.790  -1.656
  250    H    THR  36           H        THR  36   8.141   9.394   0.454
  251    HA   THR  36           HA       THR  36   7.710  10.316  -2.333
  252    HB   THR  36           HB       THR  36   8.682  12.489  -1.791
  253    HG1  THR  36           HG1      THR  36   8.873  13.088   0.402
  254   1HG2  THR  36          1HG2      THR  36   6.689  13.424  -0.719
  255   2HG2  THR  36          2HG2      THR  36   6.205  12.091  -1.794
  256   3HG2  THR  36          3HG2      THR  36   6.255  11.837  -0.040
  257    H    THR  37           H        THR  37   8.776   7.956  -1.675
  258    HA   THR  37           HA       THR  37  11.539   8.048  -1.674
  259    HB   THR  37           HB       THR  37  11.578   5.801  -2.093
  260    HG1  THR  37           HG1      THR  37   9.506   5.453  -2.741
  261   1HG2  THR  37          1HG2      THR  37  11.269   5.126   0.243
  262   2HG2  THR  37          2HG2      THR  37  12.155   6.647   0.063
  263   3HG2  THR  37          3HG2      THR  37  10.448   6.671   0.562
  264    H    THR  38           H        THR  38  12.418   7.878  -3.694
  265    HA   THR  38           HA       THR  38  11.602   8.071  -6.346
  266    HB   THR  38           HB       THR  38  13.609   6.495  -6.646
  267    HG1  THR  38           HG1      THR  38  13.531   5.466  -4.680
  268   1HG2  THR  38          1HG2      THR  38  13.836   8.975  -6.735
  269   2HG2  THR  38          2HG2      THR  38  14.042   9.013  -4.972
  270   3HG2  THR  38          3HG2      THR  38  15.261   8.220  -5.991
  271    H    THR  39           H        THR  39  11.531   5.273  -4.175
  272    HA   THR  39           HA       THR  39  10.321   3.398  -6.207
  273    HB   THR  39           HB       THR  39  12.661   3.222  -5.802
  274    HG1  THR  39           HG1      THR  39  12.779   1.051  -5.550
  275   1HG2  THR  39          1HG2      THR  39  12.060   2.400  -2.942
  276   2HG2  THR  39          2HG2      THR  39  13.635   2.277  -3.738
  277   3HG2  THR  39          3HG2      THR  39  12.923   3.864  -3.427
  278    H    CYS  40           H        CYS  40  10.416   1.576  -4.568
  279    HA   CYS  40           HA       CYS  40   8.443   2.024  -2.373
  280   1HB   CYS  40          1HB       CYS  40   8.494  -0.354  -4.300
  281   2HB   CYS  40          2HB       CYS  40   7.662  -0.405  -2.756
  282    HA   PRO  41           HA       PRO  41  12.223   1.098  -0.336
  283   1HB   PRO  41          1HB       PRO  41  11.462   1.450   2.267
  284   2HB   PRO  41          2HB       PRO  41  11.528   2.771   1.077
  285   1HG   PRO  41          1HG       PRO  41   9.102   1.128   1.852
  286   2HG   PRO  41          2HG       PRO  41   9.238   2.907   1.822
  287   1HD   PRO  41          1HD       PRO  41   8.171   1.674  -0.284
  288   2HD   PRO  41          2HD       PRO  41   9.362   2.979  -0.540
  289    H    SER  42           H        SER  42  13.107  -0.061   1.468
  290    HA   SER  42           HA       SER  42  12.949  -2.886   1.420
  291   1HB   SER  42          1HB       SER  42  13.843  -0.907   3.562
  292   2HB   SER  42          2HB       SER  42  14.149  -2.652   3.619
  293    HG   SER  42           HG       SER  42  15.032  -0.875   1.583
  294    H    SER  43           H        SER  43  11.150  -0.376   3.300
  295    HA   SER  43           HA       SER  43  10.155  -2.179   5.309
  296   1HB   SER  43          2HB       SER  43   9.541   0.587   4.495
  297   2HB   SER  43          1HB       SER  43   8.835  -0.197   5.900
  298    HG   SER  43           HG       SER  43  11.597   0.262   5.463
  299    H    HIS  44           H        HIS  44   9.263  -1.065   2.192
  300    HA   HIS  44           HA       HIS  44   6.710  -2.661   2.155
  301   1HB   HIS  44          1HB       HIS  44   6.907   0.331   1.644
  302   2HB   HIS  44          2HB       HIS  44   5.548  -0.675   1.181
  303    HD1  HIS  44           HD1      HIS  44   7.377   0.479   4.346
  304    HD2  HIS  44           HD2      HIS  44   3.754  -1.240   3.087
  305    HE1  HIS  44           HE1      HIS  44   5.846   0.370   6.392
  306    HE2  HIS  44           HE2      HIS  44   3.618  -0.661   5.628
  307    HA   PRO  45           HA       PRO  45   9.565  -2.898  -1.546
  308   1HB   PRO  45          1HB       PRO  45   9.206  -5.551  -2.196
  309   2HB   PRO  45          2HB       PRO  45  10.289  -4.975  -0.904
  310   1HG   PRO  45          1HG       PRO  45   7.400  -5.873  -0.628
  311   2HG   PRO  45          2HG       PRO  45   8.804  -6.491   0.289
  312   1HD   PRO  45          1HD       PRO  45   7.327  -4.572   1.392
  313   2HD   PRO  45          2HD       PRO  45   9.078  -4.380   1.435
  314    H    SER  46           H        SER  46   6.016  -3.902  -1.503
  315    HA   SER  46           HA       SER  46   6.101  -4.283  -4.396
  316   1HB   SER  46          1HB       SER  46   4.753  -5.793  -3.269
  317   2HB   SER  46          2HB       SER  46   4.073  -4.595  -2.202
  318    HG   SER  46           HG       SER  46   3.700  -4.895  -5.030
  319    HXT  SER  46           HO        OH  47   5.184  -1.159  -5.493
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1   1.380   8.554  -3.711
    2   2H    LYS   1          2H        LYS   1   2.768   9.163  -3.068
    3   3H    LYS   1          3H        LYS   1   2.541   9.169  -4.703
    4    HA   LYS   1           HA       LYS   1   2.520   6.825  -4.762
    5   1HB   LYS   1          1HB       LYS   1   4.767   8.446  -4.518
    6   2HB   LYS   1          2HB       LYS   1   5.093   7.179  -3.338
    7   1HG   LYS   1          1HG       LYS   1   4.461   6.750  -6.285
    8   2HG   LYS   1          2HG       LYS   1   6.051   6.729  -5.517
    9   1HD   LYS   1          1HD       LYS   1   5.145   4.835  -4.006
   10   2HD   LYS   1          2HD       LYS   1   3.774   4.751  -5.122
   11   1HE   LYS   1          1HE       LYS   1   5.330   3.116  -5.906
   12   2HE   LYS   1          2HE       LYS   1   5.474   4.470  -7.038
   13   1HZ   LYS   1          1HZ       LYS   1   7.259   3.929  -4.780
   14   2HZ   LYS   1          2HZ       LYS   1   7.577   3.618  -6.366
   15   3HZ   LYS   1          3HZ       LYS   1   7.404   5.174  -5.850
   16    H    SER   2           H        SER   2   2.230   4.885  -3.759
   17    HA   SER   2           HA       SER   2   2.368   4.607  -0.802
   18   1HB   SER   2          1HB       SER   2  -0.097   4.094  -2.529
   19   2HB   SER   2          2HB       SER   2   0.109   3.510  -0.866
   20    HG   SER   2           HG       SER   2   0.348   5.686  -0.216
   21    H    CYS   3           H        CYS   3   3.237   2.781  -0.227
   22    HA   CYS   3           HA       CYS   3   3.696   0.625  -2.232
   23   1HB   CYS   3          1HB       CYS   3   5.653   2.045  -0.408
   24   2HB   CYS   3          2HB       CYS   3   6.018   0.582  -1.323
   25    H    CYS   4           H        CYS   4   3.735  -1.482  -1.437
   26    HA   CYS   4           HA       CYS   4   2.797  -1.935   1.337
   27   1HB   CYS   4          1HB       CYS   4   2.272  -3.137  -1.370
   28   2HB   CYS   4          2HB       CYS   4   1.941  -4.027   0.063
   29    H    ARG   5           H        ARG   5   3.252  -3.719   2.477
   30    HA   ARG   5           HA       ARG   5   5.932  -4.360   2.388
   31   1HB   ARG   5          1HB       ARG   5   5.349  -6.474   3.861
   32   2HB   ARG   5          2HB       ARG   5   5.491  -4.861   4.483
   33   1HG   ARG   5          1HG       ARG   5   2.794  -5.755   3.451
   34   2HG   ARG   5          2HG       ARG   5   3.356  -6.427   4.985
   35   1HD   ARG   5          1HD       ARG   5   3.613  -3.458   4.442
   36   2HD   ARG   5          2HD       ARG   5   2.071  -4.123   4.938
   37    HE   ARG   5           HE       ARG   5   4.410  -3.550   6.526
   38   1HH1  ARG   5          1HH1      ARG   5   1.770  -5.949   6.443
   39   2HH1  ARG   5          2HH1      ARG   5   1.932  -6.326   8.139
   40   1HH2  ARG   5          1HH2      ARG   5   4.588  -4.080   8.714
   41   2HH2  ARG   5          2HH2      ARG   5   3.519  -5.271   9.419
   42    H    ASN   6           H        ASN   6   3.265  -5.809   0.509
   43    HA   ASN   6           HA       ASN   6   4.996  -7.104  -1.012
   44   1HB   ASN   6          1HB       ASN   6   4.270  -9.488  -0.815
   45   2HB   ASN   6          2HB       ASN   6   5.182  -8.948   0.584
   46   1HD2  ASN   6          2HD2      ASN   6   3.747 -11.212   0.853
   47   2HD2  ASN   6          1HD2      ASN   6   2.358 -10.934   1.887
   48    H    THR   7           H        THR   7   4.043  -8.380  -2.621
   49    HA   THR   7           HA       THR   7   2.292  -6.709  -4.108
   50    HB   THR   7           HB       THR   7   3.257  -9.442  -4.543
   51    HG1  THR   7           HG1      THR   7   4.073  -6.926  -5.562
   52   1HG2  THR   7          1HG2      THR   7   2.609  -8.915  -6.955
   53   2HG2  THR   7          2HG2      THR   7   1.233  -9.104  -5.843
   54   3HG2  THR   7          3HG2      THR   7   1.762  -7.469  -6.312
   55    H    LEU   8           H        LEU   8   1.777  -9.350  -1.930
   56    HA   LEU   8           HA       LEU   8  -0.921 -10.074  -2.380
   57   1HB   LEU   8          2HB       LEU   8   1.313 -10.887  -0.969
   58   2HB   LEU   8          1HB       LEU   8   0.585  -9.954   0.137
   59    HG   LEU   8           HG       LEU   8  -0.755 -12.387  -1.102
   60   1HD1  LEU   8          1HD1      LEU   8   1.086 -12.887   0.499
   61   2HD1  LEU   8          2HD1      LEU   8   0.278 -11.899   1.732
   62   3HD1  LEU   8          3HD1      LEU   8  -0.487 -13.390   1.147
   63   1HD2  LEU   8          1HD2      LEU   8  -2.523 -10.800  -0.558
   64   2HD2  LEU   8          2HD2      LEU   8  -2.521 -12.063   0.673
   65   3HD2  LEU   8          3HD2      LEU   8  -1.810 -10.481   1.043
   66    H    ALA   9           H        ALA   9   0.954  -7.901  -0.501
   67    HA   ALA   9           HA       ALA   9  -1.377  -6.899   1.050
   68   1HB   ALA   9          1HB       ALA   9   0.588  -6.751   2.248
   69   2HB   ALA   9          2HB       ALA   9   1.425  -5.894   0.931
   70   3HB   ALA   9          3HB       ALA   9   0.146  -5.066   1.835
   71    H    ARG  10           H        ARG  10   0.493  -5.632  -1.601
   72    HA   ARG  10           HA       ARG  10  -0.986  -3.319  -2.282
   73   1HB   ARG  10          1HB       ARG  10   1.037  -3.700  -3.130
   74   2HB   ARG  10          2HB       ARG  10   0.659  -5.304  -3.753
   75   1HG   ARG  10          1HG       ARG  10  -0.784  -4.500  -5.464
   76   2HG   ARG  10          2HG       ARG  10  -0.896  -2.868  -4.747
   77   1HD   ARG  10          1HD       ARG  10   1.670  -4.174  -5.604
   78   2HD   ARG  10          2HD       ARG  10   0.660  -3.166  -6.669
   79    HE   ARG  10           HE       ARG  10   1.514  -2.108  -3.997
   80   1HH1  ARG  10          1HH1      ARG  10   1.655  -1.556  -7.485
   81   2HH1  ARG  10          2HH1      ARG  10   2.184   0.103  -7.283
   82   1HH2  ARG  10          1HH2      ARG  10   2.258  -0.104  -3.743
   83   2HH2  ARG  10          2HH2      ARG  10   2.549   0.937  -5.115
   84    H    ASN  11           H        ASN  11  -1.418  -6.691  -3.030
   85    HA   ASN  11           HA       ASN  11  -3.745  -6.346  -4.763
   86   1HB   ASN  11          1HB       ASN  11  -2.893  -8.848  -3.263
   87   2HB   ASN  11          2HB       ASN  11  -4.255  -8.772  -4.374
   88   1HD2  ASN  11          2HD2      ASN  11  -2.127 -10.536  -4.768
   89   2HD2  ASN  11          1HD2      ASN  11  -1.292 -10.070  -6.234
   90    H    CYS  12           H        CYS  12  -3.660  -7.224  -1.281
   91    HA   CYS  12           HA       CYS  12  -6.281  -6.862  -0.527
   92   1HB   CYS  12          1HB       CYS  12  -4.669  -7.743   0.998
   93   2HB   CYS  12          2HB       CYS  12  -3.672  -6.305   0.908
   94    H    TYR  13           H        TYR  13  -3.729  -4.461  -0.709
   95    HA   TYR  13           HA       TYR  13  -5.303  -2.193  -0.049
   96   1HB   TYR  13          1HB       TYR  13  -2.896  -2.103   0.044
   97   2HB   TYR  13          2HB       TYR  13  -2.769  -2.477  -1.657
   98    HD1  TYR  13           HD1      TYR  13  -2.995  -0.818  -3.409
   99    HD2  TYR  13           HD2      TYR  13  -3.324   0.197   0.761
  100    HE1  TYR  13           HE1      TYR  13  -2.725   1.576  -3.984
  101    HE2  TYR  13           HE2      TYR  13  -3.055   2.604   0.204
  102    HH   TYR  13           HH       TYR  13  -2.844   4.174  -1.493
  103    H    ASN  14           H        ASN  14  -4.823  -3.618  -3.247
  104    HA   ASN  14           HA       ASN  14  -6.305  -1.593  -4.701
  105   1HB   ASN  14          1HB       ASN  14  -5.429  -4.411  -5.459
  106   2HB   ASN  14          2HB       ASN  14  -6.154  -3.246  -6.571
  107   1HD2  ASN  14          2HD2      ASN  14  -3.542  -4.534  -6.826
  108   2HD2  ASN  14          1HD2      ASN  14  -2.364  -3.237  -6.872
  109    H    ALA  15           H        ALA  15  -6.928  -4.575  -3.061
  110    HA   ALA  15           HA       ALA  15  -9.643  -4.978  -3.996
  111   1HB   ALA  15          1HB       ALA  15  -8.228  -6.853  -3.196
  112   2HB   ALA  15          2HB       ALA  15  -8.229  -6.134  -1.564
  113   3HB   ALA  15          3HB       ALA  15  -9.744  -6.696  -2.277
  114    H    CYS  16           H        CYS  16  -8.188  -3.389  -1.043
  115    HA   CYS  16           HA       CYS  16 -10.774  -2.905   0.134
  116   1HB   CYS  16          1HB       CYS  16  -9.130  -2.810   1.710
  117   2HB   CYS  16          2HB       CYS  16  -7.927  -2.107   0.641
  118    H    ARG  17           H        ARG  17  -8.628  -1.468  -2.267
  119    HA   ARG  17           HA       ARG  17 -10.040   1.040  -2.467
  120   1HB   ARG  17          2HB       ARG  17  -7.621   0.714  -3.140
  121   2HB   ARG  17          1HB       ARG  17  -8.198  -0.244  -4.496
  122   1HG   ARG  17          1HG       ARG  17  -7.768   1.784  -5.487
  123   2HG   ARG  17          2HG       ARG  17  -9.503   1.915  -5.203
  124   1HD   ARG  17          1HD       ARG  17  -7.239   3.086  -3.505
  125   2HD   ARG  17          2HD       ARG  17  -8.290   4.002  -4.582
  126    HE   ARG  17           HE       ARG  17  -8.923   2.808  -1.957
  127   1HH1  ARG  17          1HH1      ARG  17 -10.284   4.525  -4.775
  128   2HH1  ARG  17          2HH1      ARG  17 -11.828   4.773  -3.999
  129   1HH2  ARG  17          1HH2      ARG  17 -10.953   3.131  -1.003
  130   2HH2  ARG  17          2HH2      ARG  17 -12.203   3.993  -1.871
  131    H    PHE  18           H        PHE  18 -10.388  -2.153  -3.961
  132    HA   PHE  18           HA       PHE  18 -12.545  -1.560  -5.735
  133   1HB   PHE  18          1HB       PHE  18 -11.184  -3.801  -5.345
  134   2HB   PHE  18          2HB       PHE  18 -12.347  -4.152  -4.144
  135    HD1  PHE  18           HD1      PHE  18 -11.818  -3.936  -7.749
  136    HD2  PHE  18           HD2      PHE  18 -14.781  -4.411  -4.631
  137    HE1  PHE  18           HE1      PHE  18 -13.432  -4.841  -9.408
  138    HE2  PHE  18           HE2      PHE  18 -16.389  -5.295  -6.294
  139    HZ   PHE  18           HZ       PHE  18 -15.725  -5.507  -8.694
  140    H    THR  19           H        THR  19 -12.447  -2.809  -2.310
  141    HA   THR  19           HA       THR  19 -15.207  -2.516  -1.860
  142    HB   THR  19           HB       THR  19 -14.809  -3.175   0.253
  143    HG1  THR  19           HG1      THR  19 -12.406  -1.850   0.168
  144   1HG2  THR  19          1HG2      THR  19 -12.349  -4.549  -0.384
  145   2HG2  THR  19          2HG2      THR  19 -13.962  -5.180  -0.109
  146   3HG2  THR  19          3HG2      THR  19 -13.525  -4.632  -1.721
  147    H    GLY  20           H        GLY  20 -15.911  -1.362   0.286
  148   1HA   GLY  20          1HA       GLY  20 -15.901   1.552  -0.223
  149   2HA   GLY  20          2HA       GLY  20 -16.950   0.644   0.864
  150    H    GLY  21           H        GLY  21 -13.511   0.088   0.787
  151   1HA   GLY  21          1HA       GLY  21 -12.925   1.403   3.367
  152   2HA   GLY  21          2HA       GLY  21 -12.005   0.096   2.590
  153    H    SER  22           H        SER  22 -12.091   3.378   2.968
  154    HA   SER  22           HA       SER  22 -11.433   4.598   0.595
  155   1HB   SER  22          2HB       SER  22 -10.786   5.371   3.351
  156   2HB   SER  22          1HB       SER  22 -10.870   6.431   1.945
  157    HG   SER  22           HG       SER  22 -12.767   6.546   3.192
  158    H    GLN  23           H        GLN  23  -9.443   5.641   0.574
  159    HA   GLN  23           HA       GLN  23  -7.368   3.713  -0.139
  160   1HB   GLN  23          1HB       GLN  23  -7.818   5.648  -1.592
  161   2HB   GLN  23          2HB       GLN  23  -7.084   6.731  -0.408
  162   1HG   GLN  23          1HG       GLN  23  -4.945   5.492  -0.581
  163   2HG   GLN  23          2HG       GLN  23  -5.671   4.354  -1.723
  164   1HE2  GLN  23          2HE2      GLN  23  -6.704   5.437  -3.744
  165   2HE2  GLN  23          1HE2      GLN  23  -5.783   6.738  -4.467
  166    HA   PRO  24           HA       PRO  24  -5.155   5.572   3.796
  167   1HB   PRO  24          1HB       PRO  24  -7.842   6.194   5.156
  168   2HB   PRO  24          2HB       PRO  24  -6.261   6.846   5.537
  169   1HG   PRO  24          1HG       PRO  24  -7.993   8.311   4.038
  170   2HG   PRO  24          2HG       PRO  24  -6.316   8.149   3.414
  171   1HD   PRO  24          1HD       PRO  24  -8.715   6.400   2.778
  172   2HD   PRO  24          2HD       PRO  24  -7.708   7.274   1.608
  173    H    THR  25           H        THR  25  -8.378   4.344   4.283
  174    HA   THR  25           HA       THR  25  -7.742   2.393   6.280
  175    HB   THR  25           HB       THR  25  -9.887   2.553   4.283
  176    HG1  THR  25           HG1      THR  25  -9.948   3.989   6.016
  177   1HG2  THR  25          1HG2      THR  25 -11.052   0.669   5.586
  178   2HG2  THR  25          2HG2      THR  25  -9.634   0.129   4.700
  179   3HG2  THR  25          3HG2      THR  25  -9.508   0.438   6.440
  180    H    CYS  26           H        CYS  26  -7.513   2.157   2.821
  181    HA   CYS  26           HA       CYS  26  -6.748  -0.644   2.727
  182   1HB   CYS  26          1HB       CYS  26  -5.953   1.501   0.702
  183   2HB   CYS  26          2HB       CYS  26  -6.034  -0.231   0.468
  184    H    GLY  27           H        GLY  27  -4.859   2.313   2.661
  185   1HA   GLY  27          1HA       GLY  27  -2.328   1.041   2.809
  186   2HA   GLY  27          2HA       GLY  27  -2.640   2.701   3.339
  187    H    ILE  28           H        ILE  28  -4.571   1.945   5.512
  188    HA   ILE  28           HA       ILE  28  -2.694   0.962   7.414
  189    HB   ILE  28           HB       ILE  28  -5.713   1.528   7.484
  190   1HG1  ILE  28          1HG1      ILE  28  -4.923   3.273   9.275
  191   2HG1  ILE  28          2HG1      ILE  28  -3.263   2.845   8.834
  192   1HG2  ILE  28          1HG2      ILE  28  -5.606  -0.198   9.021
  193   2HG2  ILE  28          2HG2      ILE  28  -4.147   0.470   9.793
  194   3HG2  ILE  28          3HG2      ILE  28  -5.736   1.292   9.923
  195   1HD1  ILE  28          1HD1      ILE  28  -3.984   4.962   7.851
  196   2HD1  ILE  28          2HD1      ILE  28  -3.684   3.794   6.567
  197   3HD1  ILE  28          3HD1      ILE  28  -5.364   4.173   7.086
  198    H    LEU  29           H        LEU  29  -5.550  -0.522   6.019
  199    HA   LEU  29           HA       LEU  29  -5.502  -2.547   8.044
  200   1HB   LEU  29          1HB       LEU  29  -7.036  -2.531   5.410
  201   2HB   LEU  29          2HB       LEU  29  -7.187  -3.828   6.603
  202    HG   LEU  29           HG       LEU  29  -7.793  -0.942   7.110
  203   1HD1  LEU  29          1HD2      LEU  29 -10.204  -1.716   7.088
  204   2HD1  LEU  29          2HD2      LEU  29  -9.417  -2.069   5.539
  205   3HD1  LEU  29          3HD2      LEU  29  -9.656  -3.361   6.729
  206   1HD2  LEU  29          1HD1      LEU  29  -7.223  -1.986   9.255
  207   2HD2  LEU  29          2HD1      LEU  29  -8.969  -1.809   9.182
  208   3HD2  LEU  29          3HD1      LEU  29  -8.238  -3.395   8.877
  209    H    CYS  30           H        CYS  30  -4.758  -2.291   4.716
  210    HA   CYS  30           HA       CYS  30  -3.397  -4.903   4.387
  211   1HB   CYS  30          1HB       CYS  30  -3.412  -2.509   2.522
  212   2HB   CYS  30          2HB       CYS  30  -2.951  -4.132   2.143
  213    H    ASP  31           H        ASP  31  -2.456  -2.067   6.008
  214    HA   ASP  31           HA       ASP  31  -0.487  -1.278   6.726
  215   1HB   ASP  31          1HB       ASP  31   0.336  -4.160   6.178
  216   2HB   ASP  31          2HB       ASP  31   1.356  -2.979   7.003
  217    HD2  ASP  31           HD2      ASP  31  -1.832  -4.447   7.164
  218    H    CYS  32           H        CYS  32  -1.039  -0.761   4.025
  219    HA   CYS  32           HA       CYS  32   1.608  -0.682   2.639
  220   1HB   CYS  32          1HB       CYS  32  -1.068  -0.323   1.726
  221   2HB   CYS  32          2HB       CYS  32  -0.308   1.263   1.603
  222    H    ILE  33           H        ILE  33   2.371   1.783   2.094
  223    HA   ILE  33           HA       ILE  33   1.746   3.634   4.368
  224    HB   ILE  33           HB       ILE  33   4.185   4.282   4.287
  225   1HG1  ILE  33          1HG1      ILE  33   4.576   1.635   2.848
  226   2HG1  ILE  33          2HG1      ILE  33   4.564   3.185   1.985
  227   1HG2  ILE  33          1HG2      ILE  33   3.233   2.883   6.072
  228   2HG2  ILE  33          2HG2      ILE  33   3.633   1.427   5.151
  229   3HG2  ILE  33          3HG2      ILE  33   4.920   2.491   5.745
  230   1HD1  ILE  33          1HD1      ILE  33   6.475   3.927   3.364
  231   2HD1  ILE  33          2HD1      ILE  33   6.512   2.347   4.164
  232   3HD1  ILE  33          3HD1      ILE  33   6.819   2.463   2.422
  233    H    HIS  34           H        HIS  34   3.258   5.752   3.454
  234    HA   HIS  34           HA       HIS  34   2.554   6.176   0.655
  235   1HB   HIS  34          1HB       HIS  34   0.703   7.205   1.972
  236   2HB   HIS  34          2HB       HIS  34   1.877   8.222   2.807
  237    HD1  HIS  34           HD1      HIS  34  -0.171   7.993  -0.278
  238    HD2  HIS  34           HD2      HIS  34   3.278  10.062   1.009
  239    HE1  HIS  34           HE1      HIS  34   0.217   9.922  -1.917
  240    HE2  HIS  34           HE2      HIS  34   2.314  11.180  -1.151
  241    H    VAL  35           H        VAL  35   4.415   6.520  -0.310
  242    HA   VAL  35           HA       VAL  35   6.626   7.895   1.168
  243    HB   VAL  35           HB       VAL  35   8.143   7.009  -0.313
  244   1HG1  VAL  35          1HG1      VAL  35   6.630   4.792   0.955
  245   2HG1  VAL  35          2HG1      VAL  35   8.344   4.832   0.505
  246   3HG1  VAL  35          3HG1      VAL  35   7.774   5.922   1.766
  247   1HG2  VAL  35          1HG2      VAL  35   7.176   6.461  -2.380
  248   2HG2  VAL  35          2HG2      VAL  35   7.657   4.918  -1.646
  249   3HG2  VAL  35          3HG2      VAL  35   5.965   5.383  -1.616
  250    H    THR  36           H        THR  36   7.680   9.466   0.321
  251    HA   THR  36           HA       THR  36   7.262  10.206  -2.499
  252    HB   THR  36           HB       THR  36   7.878  12.541  -2.050
  253    HG1  THR  36           HG1      THR  36   8.900  12.207  -0.027
  254   1HG2  THR  36          1HG2      THR  36   5.696  13.244  -1.201
  255   2HG2  THR  36          2HG2      THR  36   5.507  11.811  -2.240
  256   3HG2  THR  36          3HG2      THR  36   5.421  11.638  -0.474
  257    H    THR  37           H        THR  37   8.640   8.099  -1.664
  258    HA   THR  37           HA       THR  37  11.265   8.370  -0.980
  259    HB   THR  37           HB       THR  37  11.456   6.102  -2.036
  260    HG1  THR  37           HG1      THR  37   9.610   6.357  -3.259
  261   1HG2  THR  37          1HG2      THR  37  10.495   5.069  -0.065
  262   2HG2  THR  37          2HG2      THR  37  11.695   6.324   0.220
  263   3HG2  THR  37          3HG2      THR  37  10.009   6.689   0.513
  264    H    THR  38           H        THR  38  12.615   7.352  -2.644
  265    HA   THR  38           HA       THR  38  12.937   8.293  -5.401
  266    HB   THR  38           HB       THR  38  14.689   7.207  -4.012
  267    HG1  THR  38           HG1      THR  38  14.816   7.424  -6.296
  268   1HG2  THR  38          1HG2      THR  38  15.112   4.917  -3.828
  269   2HG2  THR  38          2HG2      THR  38  13.559   5.250  -3.070
  270   3HG2  THR  38          3HG2      THR  38  13.641   4.480  -4.682
  271    H    THR  39           H        THR  39  11.739   5.257  -3.942
  272    HA   THR  39           HA       THR  39   9.601   4.554  -5.674
  273    HB   THR  39           HB       THR  39  11.948   2.848  -5.530
  274    HG1  THR  39           HG1      THR  39  11.751   4.853  -7.519
  275   1HG2  THR  39          1HG2      THR  39   9.788   3.255  -7.597
  276   2HG2  THR  39          2HG2      THR  39  11.164   2.143  -7.839
  277   3HG2  THR  39          3HG2      THR  39  10.017   1.842  -6.526
  278    H    CYS  40           H        CYS  40   9.141   2.350  -5.002
  279    HA   CYS  40           HA       CYS  40   8.402   2.288  -2.358
  280   1HB   CYS  40          1HB       CYS  40   8.547   0.001  -4.369
  281   2HB   CYS  40          2HB       CYS  40   7.841  -0.187  -2.771
  282    HA   PRO  41           HA       PRO  41  12.318   1.399  -0.478
  283   1HB   PRO  41          1HB       PRO  41  11.622   1.575   2.137
  284   2HB   PRO  41          2HB       PRO  41  11.529   2.969   1.035
  285   1HG   PRO  41          1HG       PRO  41   9.269   1.078   1.758
  286   2HG   PRO  41          2HG       PRO  41   9.268   2.864   1.867
  287   1HD   PRO  41          1HD       PRO  41   8.231   1.683  -0.291
  288   2HD   PRO  41          2HD       PRO  41   9.282   3.112  -0.487
  289    H    SER  42           H        SER  42  13.299   0.139   1.198
  290    HA   SER  42           HA       SER  42  13.144  -2.678   0.922
  291   1HB   SER  42          1HB       SER  42  14.239  -0.881   3.129
  292   2HB   SER  42          2HB       SER  42  14.538  -2.630   3.000
  293    HG   SER  42           HG       SER  42  15.505  -2.213   0.954
  294    H    SER  43           H        SER  43  11.465  -0.339   3.103
  295    HA   SER  43           HA       SER  43  10.698  -2.328   5.056
  296   1HB   SER  43          1HB       SER  43   9.476  -0.437   5.975
  297   2HB   SER  43          2HB       SER  43  11.121   0.073   5.587
  298    HG   SER  43           HG       SER  43  10.262   0.992   3.672
  299    H    HIS  44           H        HIS  44   9.551  -1.082   2.082
  300    HA   HIS  44           HA       HIS  44   7.001  -2.667   2.148
  301   1HB   HIS  44          1HB       HIS  44   7.065   0.329   1.893
  302   2HB   HIS  44          2HB       HIS  44   5.719  -0.702   1.442
  303    HD1  HIS  44           HD1      HIS  44   7.687   0.289   4.567
  304    HD2  HIS  44           HD2      HIS  44   4.104  -1.597   3.405
  305    HE1  HIS  44           HE1      HIS  44   6.308  -0.070   6.685
  306    HE2  HIS  44           HE2      HIS  44   4.125  -1.238   5.997
  307    HA   PRO  45           HA       PRO  45   9.580  -2.431  -1.753
  308   1HB   PRO  45          1HB       PRO  45   9.653  -5.065  -2.498
  309   2HB   PRO  45          2HB       PRO  45  10.644  -4.381  -1.188
  310   1HG   PRO  45          1HG       PRO  45   7.975  -5.780  -0.908
  311   2HG   PRO  45          2HG       PRO  45   9.489  -6.159  -0.040
  312   1HD   PRO  45          1HD       PRO  45   7.616  -4.594   1.083
  313   2HD   PRO  45          2HD       PRO  45   9.330  -4.153   1.261
  314    H    SER  46           H        SER  46   6.225  -3.816  -1.550
  315    HA   SER  46           HA       SER  46   6.033  -4.191  -4.413
  316   1HB   SER  46          1HB       SER  46   4.824  -5.703  -3.173
  317   2HB   SER  46          2HB       SER  46   4.222  -4.543  -2.009
  318    HG   SER  46           HG       SER  46   2.997  -3.654  -3.753
  319    HXT  SER  46           HO        OH  47   5.048  -1.050  -5.414
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1   3.950   9.365  -3.110
    2   2H    LYS   1          2H        LYS   1   3.947   9.276  -4.758
    3   3H    LYS   1          3H        LYS   1   2.551   9.025  -3.924
    4    HA   LYS   1           HA       LYS   1   3.407   6.994  -4.698
    5   1HB   LYS   1          1HB       LYS   1   5.736   7.622  -4.860
    6   2HB   LYS   1          2HB       LYS   1   5.836   7.734  -3.104
    7   1HG   LYS   1          1HG       LYS   1   6.871   5.676  -3.639
    8   2HG   LYS   1          2HG       LYS   1   5.313   5.262  -2.979
    9   1HD   LYS   1          1HD       LYS   1   5.473   3.839  -4.795
   10   2HD   LYS   1          2HD       LYS   1   4.555   5.155  -5.492
   11   1HE   LYS   1          1HE       LYS   1   6.378   4.481  -7.048
   12   2HE   LYS   1          2HE       LYS   1   6.733   6.104  -6.435
   13   1HZ   LYS   1          1HZ       LYS   1   8.629   4.726  -6.456
   14   2HZ   LYS   1          2HZ       LYS   1   8.262   5.077  -4.893
   15   3HZ   LYS   1          3HZ       LYS   1   7.926   3.589  -5.510
   16    H    SER   2           H        SER   2   2.935   5.117  -3.666
   17    HA   SER   2           HA       SER   2   2.532   4.955  -0.771
   18   1HB   SER   2          1HB       SER   2   0.148   4.309  -0.984
   19   2HB   SER   2          2HB       SER   2   0.415   5.998  -1.435
   20    HG   SER   2           HG       SER   2   0.200   3.830  -3.247
   21    H    CYS   3           H        CYS   3   3.761   3.242  -0.503
   22    HA   CYS   3           HA       CYS   3   3.934   1.104  -2.541
   23   1HB   CYS   3          1HB       CYS   3   5.731   1.879  -0.219
   24   2HB   CYS   3          2HB       CYS   3   6.042   0.591  -1.386
   25    H    CYS   4           H        CYS   4   3.539  -1.164  -1.898
   26    HA   CYS   4           HA       CYS   4   2.273  -1.514   0.734
   27   1HB   CYS   4          1HB       CYS   4   2.002  -2.882  -1.955
   28   2HB   CYS   4          2HB       CYS   4   1.394  -3.562  -0.506
   29    H    ARG   5           H        ARG   5   2.562  -3.193   1.836
   30    HA   ARG   5           HA       ARG   5   5.116  -3.918   2.375
   31   1HB   ARG   5          1HB       ARG   5   3.409  -3.692   4.031
   32   2HB   ARG   5          2HB       ARG   5   2.326  -4.789   3.170
   33   1HG   ARG   5          1HG       ARG   5   2.949  -5.911   5.061
   34   2HG   ARG   5          2HG       ARG   5   3.796  -6.680   3.727
   35   1HD   ARG   5          1HD       ARG   5   5.410  -6.352   5.616
   36   2HD   ARG   5          2HD       ARG   5   5.860  -5.293   4.270
   37    HE   ARG   5           HE       ARG   5   5.562  -3.489   5.574
   38   1HH1  ARG   5          1HH1      ARG   5   3.664  -6.092   7.104
   39   2HH1  ARG   5          2HH1      ARG   5   3.218  -5.099   8.473
   40   1HH2  ARG   5          1HH2      ARG   5   4.972  -2.251   7.380
   41   2HH2  ARG   5          2HH2      ARG   5   3.945  -2.931   8.620
   42    H    ASN   6           H        ASN   6   2.971  -5.386   0.163
   43    HA   ASN   6           HA       ASN   6   4.769  -6.693  -1.163
   44   1HB   ASN   6          1HB       ASN   6   3.838  -9.193  -0.778
   45   2HB   ASN   6          2HB       ASN   6   5.233  -8.567   0.071
   46   1HD2  ASN   6          2HD2      ASN   6   1.912  -7.589   0.966
   47   2HD2  ASN   6          1HD2      ASN   6   1.912  -8.427   2.501
   48    H    THR   7           H        THR   7   3.870  -8.092  -2.768
   49    HA   THR   7           HA       THR   7   1.879  -6.684  -4.259
   50    HB   THR   7           HB       THR   7   3.080  -9.342  -4.561
   51    HG1  THR   7           HG1      THR   7   3.542  -6.827  -5.792
   52   1HG2  THR   7          1HG2      THR   7   2.226  -9.019  -6.947
   53   2HG2  THR   7          2HG2      THR   7   0.985  -9.363  -5.716
   54   3HG2  THR   7          3HG2      THR   7   1.219  -7.687  -6.281
   55    H    LEU   8           H        LEU   8   1.705  -9.152  -1.803
   56    HA   LEU   8           HA       LEU   8  -0.935 -10.141  -1.965
   57   1HB   LEU   8          2HB       LEU   8   1.453 -10.572  -0.642
   58   2HB   LEU   8          1HB       LEU   8   0.703  -9.598   0.404
   59    HG   LEU   8           HG       LEU   8  -0.472 -12.262  -0.465
   60   1HD1  LEU   8          1HD1      LEU   8   1.517 -12.432   1.012
   61   2HD1  LEU   8          2HD1      LEU   8   0.744 -11.354   2.194
   62   3HD1  LEU   8          3HD1      LEU   8   0.056 -12.958   1.865
   63   1HD2  LEU   8          1HD2      LEU   8  -2.338 -10.774   0.071
   64   2HD2  LEU   8          2HD2      LEU   8  -2.123 -11.895   1.418
   65   3HD2  LEU   8          3HD2      LEU   8  -1.534 -10.223   1.554
   66    H    ALA   9           H        ALA   9   0.814  -7.594  -0.468
   67    HA   ALA   9           HA       ALA   9  -1.442  -6.644   1.219
   68   1HB   ALA   9          1HB       ALA   9   0.644  -6.223   2.132
   69   2HB   ALA   9          2HB       ALA   9   1.167  -5.321   0.682
   70   3HB   ALA   9          3HB       ALA   9  -0.095  -4.655   1.706
   71    H    ARG  10           H        ARG  10   0.113  -5.635  -1.690
   72    HA   ARG  10           HA       ARG  10  -1.319  -3.459  -2.653
   73   1HB   ARG  10          1HB       ARG  10   0.885  -4.176  -3.347
   74   2HB   ARG  10          2HB       ARG  10   0.229  -5.761  -3.712
   75   1HG   ARG  10          1HG       ARG  10   0.818  -4.492  -5.738
   76   2HG   ARG  10          2HG       ARG  10  -0.854  -5.078  -5.674
   77   1HD   ARG  10          1HD       ARG  10  -0.703  -2.810  -6.409
   78   2HD   ARG  10          2HD       ARG  10  -1.623  -2.975  -4.871
   79    HE   ARG  10           HE       ARG  10   1.023  -2.310  -4.202
   80   1HH1  ARG  10          1HH1      ARG  10  -1.804  -0.703  -5.635
   81   2HH1  ARG  10          2HH1      ARG  10  -1.311   0.877  -5.071
   82   1HH2  ARG  10          1HH2      ARG  10   1.662  -0.273  -3.543
   83   2HH2  ARG  10          2HH2      ARG  10   0.664   1.121  -3.863
   84    H    ASN  11           H        ASN  11  -1.807  -6.914  -2.829
   85    HA   ASN  11           HA       ASN  11  -4.131  -6.767  -4.642
   86   1HB   ASN  11          1HB       ASN  11  -3.073  -9.066  -2.958
   87   2HB   ASN  11          2HB       ASN  11  -4.527  -9.172  -3.948
   88   1HD2  ASN  11          2HD2      ASN  11  -2.397 -10.911  -4.371
   89   2HD2  ASN  11          1HD2      ASN  11  -1.688 -10.547  -5.928
   90    H    CYS  12           H        CYS  12  -3.835  -7.422  -1.121
   91    HA   CYS  12           HA       CYS  12  -6.411  -7.074  -0.228
   92   1HB   CYS  12          1HB       CYS  12  -4.713  -7.856   1.229
   93   2HB   CYS  12          2HB       CYS  12  -3.709  -6.440   0.973
   94    H    TYR  13           H        TYR  13  -4.001  -4.633  -0.917
   95    HA   TYR  13           HA       TYR  13  -5.572  -2.382  -0.111
   96   1HB   TYR  13          1HB       TYR  13  -3.176  -2.242  -0.187
   97   2HB   TYR  13          2HB       TYR  13  -3.144  -2.636  -1.899
   98    HD1  TYR  13           HD1      TYR  13  -3.803  -0.982  -3.638
   99    HD2  TYR  13           HD2      TYR  13  -3.303   0.063   0.519
  100    HE1  TYR  13           HE1      TYR  13  -3.714   1.417  -4.254
  101    HE2  TYR  13           HE2      TYR  13  -3.202   2.462  -0.090
  102    HH   TYR  13           HH       TYR  13  -3.351   4.021  -1.796
  103    H    ASN  14           H        ASN  14  -5.107  -3.794  -3.322
  104    HA   ASN  14           HA       ASN  14  -6.770  -1.913  -4.765
  105   1HB   ASN  14          1HB       ASN  14  -5.842  -4.736  -5.449
  106   2HB   ASN  14          2HB       ASN  14  -6.669  -3.650  -6.565
  107   1HD2  ASN  14          2HD2      ASN  14  -3.930  -4.885  -6.723
  108   2HD2  ASN  14          1HD2      ASN  14  -2.849  -3.529  -6.966
  109    H    ALA  15           H        ALA  15  -7.204  -4.830  -2.963
  110    HA   ALA  15           HA       ALA  15  -9.972  -5.310  -3.677
  111   1HB   ALA  15          1HB       ALA  15  -9.932  -6.932  -1.834
  112   2HB   ALA  15          2HB       ALA  15  -8.527  -7.157  -2.909
  113   3HB   ALA  15          3HB       ALA  15  -8.343  -6.347  -1.328
  114    H    CYS  16           H        CYS  16  -8.309  -3.610  -0.854
  115    HA   CYS  16           HA       CYS  16 -10.819  -3.163   0.486
  116   1HB   CYS  16          1HB       CYS  16  -9.104  -2.909   1.937
  117   2HB   CYS  16          2HB       CYS  16  -7.951  -2.323   0.752
  118    H    ARG  17           H        ARG  17  -8.992  -1.696  -2.159
  119    HA   ARG  17           HA       ARG  17 -10.493   0.757  -2.211
  120   1HB   ARG  17          2HB       ARG  17  -8.227   0.657  -3.091
  121   2HB   ARG  17          1HB       ARG  17  -8.723  -0.514  -4.319
  122   1HG   ARG  17          1HG       ARG  17  -8.461   1.579  -5.361
  123   2HG   ARG  17          2HG       ARG  17 -10.192   1.269  -5.343
  124   1HD   ARG  17          1HD       ARG  17  -8.705   3.043  -3.348
  125   2HD   ARG  17          2HD       ARG  17  -9.488   3.640  -4.821
  126    HE   ARG  17           HE       ARG  17 -11.313   2.137  -3.172
  127   1HH1  ARG  17          1HH1      ARG  17  -9.866   5.378  -3.483
  128   2HH1  ARG  17          2HH1      ARG  17 -11.130   6.133  -2.541
  129   1HH2  ARG  17          1HH2      ARG  17 -12.929   3.145  -1.991
  130   2HH2  ARG  17          2HH2      ARG  17 -12.885   4.872  -1.715
  131    H    PHE  18           H        PHE  18 -10.807  -2.463  -3.715
  132    HA   PHE  18           HA       PHE  18 -13.102  -2.015  -5.326
  133   1HB   PHE  18          1HB       PHE  18 -11.619  -4.185  -4.968
  134   2HB   PHE  18          2HB       PHE  18 -12.688  -4.553  -3.681
  135    HD1  PHE  18           HD1      PHE  18 -15.116  -4.958  -3.999
  136    HD2  PHE  18           HD2      PHE  18 -12.418  -4.385  -7.331
  137    HE1  PHE  18           HE1      PHE  18 -16.812  -5.914  -5.537
  138    HE2  PHE  18           HE2      PHE  18 -14.115  -5.371  -8.865
  139    HZ   PHE  18           HZ       PHE  18 -16.321  -6.122  -7.970
  140    H    THR  19           H        THR  19 -12.742  -3.168  -1.890
  141    HA   THR  19           HA       THR  19 -15.465  -2.911  -1.225
  142    HB   THR  19           HB       THR  19 -14.852  -3.476   0.888
  143    HG1  THR  19           HG1      THR  19 -12.879  -3.197   1.824
  144   1HG2  THR  19          1HG2      THR  19 -13.811  -5.008  -1.149
  145   2HG2  THR  19          2HG2      THR  19 -12.446  -4.823  -0.027
  146   3HG2  THR  19          3HG2      THR  19 -13.964  -5.486   0.541
  147    H    GLY  20           H        GLY  20 -15.910  -1.628   0.992
  148   1HA   GLY  20          1HA       GLY  20 -16.093   1.220   0.247
  149   2HA   GLY  20          2HA       GLY  20 -16.877   0.390   1.598
  150    H    GLY  21           H        GLY  21 -13.486  -0.121   0.986
  151   1HA   GLY  21          1HA       GLY  21 -12.560   1.368   3.358
  152   2HA   GLY  21          2HA       GLY  21 -11.772   0.015   2.547
  153    H    SER  22           H        SER  22 -11.894   3.335   2.719
  154    HA   SER  22           HA       SER  22 -11.118   4.294   0.217
  155   1HB   SER  22          2HB       SER  22 -10.699   5.327   2.943
  156   2HB   SER  22          1HB       SER  22 -10.546   6.261   1.474
  157    HG   SER  22           HG       SER  22 -12.586   6.567   2.464
  158    H    GLN  23           H        GLN  23  -9.110   5.421   0.321
  159    HA   GLN  23           HA       GLN  23  -6.977   3.475  -0.168
  160   1HB   GLN  23          1HB       GLN  23  -6.999   6.475  -0.606
  161   2HB   GLN  23          2HB       GLN  23  -5.538   5.492  -0.797
  162   1HG   GLN  23          1HG       GLN  23  -6.738   4.034  -2.418
  163   2HG   GLN  23          2HG       GLN  23  -8.162   5.065  -2.248
  164   1HE2  GLN  23          2HE2      GLN  23  -4.681   5.093  -3.203
  165   2HE2  GLN  23          1HE2      GLN  23  -4.832   6.400  -4.359
  166    HA   PRO  24           HA       PRO  24  -5.008   5.434   3.801
  167   1HB   PRO  24          1HB       PRO  24  -7.775   6.188   4.972
  168   2HB   PRO  24          2HB       PRO  24  -6.210   6.816   5.448
  169   1HG   PRO  24          1HG       PRO  24  -7.809   8.248   3.771
  170   2HG   PRO  24          2HG       PRO  24  -6.106   8.027   3.251
  171   1HD   PRO  24          1HD       PRO  24  -8.508   6.288   2.572
  172   2HD   PRO  24          2HD       PRO  24  -7.411   7.087   1.424
  173    H    THR  25           H        THR  25  -8.260   4.261   4.117
  174    HA   THR  25           HA       THR  25  -7.727   2.343   6.203
  175    HB   THR  25           HB       THR  25  -9.772   2.449   4.117
  176    HG1  THR  25           HG1      THR  25 -11.116   2.774   5.934
  177   1HG2  THR  25          1HG2      THR  25 -10.891   0.459   5.341
  178   2HG2  THR  25          2HG2      THR  25  -9.420   0.020   4.483
  179   3HG2  THR  25          3HG2      THR  25  -9.364   0.256   6.228
  180    H    CYS  26           H        CYS  26  -7.351   2.078   2.743
  181    HA   CYS  26           HA       CYS  26  -6.666  -0.739   2.791
  182   1HB   CYS  26          1HB       CYS  26  -5.900   1.353   0.672
  183   2HB   CYS  26          2HB       CYS  26  -5.901  -0.385   0.472
  184    H    GLY  27           H        GLY  27  -4.677   2.169   2.644
  185   1HA   GLY  27          1HA       GLY  27  -2.230   0.740   2.933
  186   2HA   GLY  27          2HA       GLY  27  -2.441   2.487   3.180
  187    H    ILE  28           H        ILE  28  -4.619   1.690   5.316
  188    HA   ILE  28           HA       ILE  28  -2.782   1.064   7.482
  189    HB   ILE  28           HB       ILE  28  -5.807   1.351   7.341
  190   1HG1  ILE  28          1HG1      ILE  28  -3.846   3.072   8.945
  191   2HG1  ILE  28          2HG1      ILE  28  -4.074   3.409   7.235
  192   1HG2  ILE  28          1HG2      ILE  28  -5.509  -0.222   9.043
  193   2HG2  ILE  28          2HG2      ILE  28  -4.091   0.636   9.692
  194   3HG2  ILE  28          3HG2      ILE  28  -5.739   1.318   9.853
  195   1HD1  ILE  28          1HD1      ILE  28  -6.308   3.399   9.298
  196   2HD1  ILE  28          2HD1      ILE  28  -5.545   4.814   8.540
  197   3HD1  ILE  28          3HD1      ILE  28  -6.494   3.683   7.557
  198    H    LEU  29           H        LEU  29  -5.544  -0.564   6.094
  199    HA   LEU  29           HA       LEU  29  -5.488  -2.658   7.976
  200   1HB   LEU  29          1HB       LEU  29  -7.609  -2.863   7.425
  201   2HB   LEU  29          2HB       LEU  29  -7.383  -1.701   6.165
  202    HG   LEU  29           HG       LEU  29  -6.548  -3.575   4.755
  203   1HD1  LEU  29          1HD1      LEU  29  -8.233  -5.221   6.720
  204   2HD1  LEU  29          2HD1      LEU  29  -7.546  -5.828   5.202
  205   3HD1  LEU  29          3HD1      LEU  29  -6.484  -5.385   6.542
  206   1HD2  LEU  29          1HD2      LEU  29  -9.494  -3.374   5.496
  207   2HD2  LEU  29          2HD2      LEU  29  -8.629  -2.386   4.303
  208   3HD2  LEU  29          3HD2      LEU  29  -8.878  -4.118   4.001
  209    H    CYS  30           H        CYS  30  -4.445  -2.262   4.718
  210    HA   CYS  30           HA       CYS  30  -3.122  -4.913   4.570
  211   1HB   CYS  30          1HB       CYS  30  -3.072  -2.716   2.487
  212   2HB   CYS  30          2HB       CYS  30  -2.721  -4.420   2.295
  213    H    ASP  31           H        ASP  31  -2.213  -1.916   5.949
  214    HA   ASP  31           HA       ASP  31  -0.215  -0.981   6.433
  215   1HB   ASP  31          1HB       ASP  31   0.894  -3.793   5.984
  216   2HB   ASP  31          2HB       ASP  31   1.722  -2.466   6.766
  217    HD2  ASP  31           HD2      ASP  31  -1.137  -4.450   6.968
  218    H    CYS  32           H        CYS  32  -0.960  -0.268   4.037
  219    HA   CYS  32           HA       CYS  32   1.643  -0.040   2.445
  220   1HB   CYS  32          1HB       CYS  32  -1.006   0.861   1.305
  221   2HB   CYS  32          2HB       CYS  32   0.528   0.665   0.542
  222    H    ILE  33           H        ILE  33   2.496   2.018   1.996
  223    HA   ILE  33           HA       ILE  33   1.834   3.925   4.225
  224    HB   ILE  33           HB       ILE  33   4.291   4.259   4.321
  225   1HG1  ILE  33          1HG1      ILE  33   4.522   1.827   2.500
  226   2HG1  ILE  33          2HG1      ILE  33   4.720   3.476   1.909
  227   1HG2  ILE  33          1HG2      ILE  33   3.076   2.726   5.823
  228   2HG2  ILE  33          2HG2      ILE  33   3.422   1.385   4.721
  229   3HG2  ILE  33          3HG2      ILE  33   4.745   2.233   5.552
  230   1HD1  ILE  33          1HD1      ILE  33   6.628   3.813   3.420
  231   2HD1  ILE  33          2HD1      ILE  33   6.428   2.191   4.075
  232   3HD1  ILE  33          3HD1      ILE  33   6.878   2.403   2.380
  233    H    HIS  34           H        HIS  34   3.742   5.828   3.425
  234    HA   HIS  34           HA       HIS  34   3.230   6.562   0.685
  235   1HB   HIS  34          1HB       HIS  34   1.406   7.751   1.930
  236   2HB   HIS  34          2HB       HIS  34   2.622   8.537   2.945
  237    HD1  HIS  34           HD1      HIS  34   4.551   9.916   1.325
  238    HD2  HIS  34           HD2      HIS  34   0.659   9.240  -0.174
  239    HE1  HIS  34           HE1      HIS  34   4.194  11.533  -0.622
  240    HE2  HIS  34           HE2      HIS  34   1.825  11.153  -1.522
  241    H    VAL  35           H        VAL  35   5.189   6.998  -0.150
  242    HA   VAL  35           HA       VAL  35   7.362   7.998   1.645
  243    HB   VAL  35           HB       VAL  35   8.955   6.973   0.106
  244   1HG1  VAL  35          1HG1      VAL  35   7.120   4.843   1.248
  245   2HG1  VAL  35          2HG1      VAL  35   8.864   4.761   0.955
  246   3HG1  VAL  35          3HG1      VAL  35   8.255   5.817   2.235
  247   1HG2  VAL  35          1HG2      VAL  35   8.314   5.137  -1.377
  248   2HG2  VAL  35          2HG2      VAL  35   6.594   5.391  -0.998
  249   3HG2  VAL  35          3HG2      VAL  35   7.524   6.646  -1.854
  250    H    THR  36           H        THR  36   8.654   9.518   0.767
  251    HA   THR  36           HA       THR  36   7.592  11.135  -1.505
  252    HB   THR  36           HB       THR  36   8.878  12.975  -0.607
  253    HG1  THR  36           HG1      THR  36   9.906  12.729   1.410
  254   1HG2  THR  36          1HG2      THR  36   7.524  13.368   1.407
  255   2HG2  THR  36          2HG2      THR  36   6.538  12.526   0.198
  256   3HG2  THR  36          3HG2      THR  36   7.193  11.640   1.583
  257    H    THR  37           H        THR  37   9.689   8.702  -0.785
  258    HA   THR  37           HA       THR  37  11.124   7.584  -1.805
  259    HB   THR  37           HB       THR  37   9.698   6.705  -3.152
  260    HG1  THR  37           HG1      THR  37  10.549   8.559  -5.132
  261   1HG2  THR  37          1HG2      THR  37   7.966   7.765  -4.421
  262   2HG2  THR  37          2HG2      THR  37   8.000   8.498  -2.801
  263   3HG2  THR  37          3HG2      THR  37   8.692   9.374  -4.190
  264    H    THR  38           H        THR  38  12.558   6.990  -3.031
  265    HA   THR  38           HA       THR  38  13.537   8.549  -5.333
  266    HB   THR  38           HB       THR  38  15.077   6.453  -3.967
  267    HG1  THR  38           HG1      THR  38  15.582   9.215  -4.296
  268   1HG2  THR  38          1HG2      THR  38  16.889   7.025  -5.632
  269   2HG2  THR  38          2HG2      THR  38  15.476   6.276  -6.372
  270   3HG2  THR  38          3HG2      THR  38  15.709   8.036  -6.497
  271    H    THR  39           H        THR  39  11.958   5.774  -3.869
  272    HA   THR  39           HA       THR  39  10.744   4.431  -5.964
  273    HB   THR  39           HB       THR  39  12.901   3.116  -4.533
  274    HG1  THR  39           HG1      THR  39  14.294   3.169  -6.378
  275   1HG2  THR  39          1HG2      THR  39  11.627   1.423  -5.423
  276   2HG2  THR  39          2HG2      THR  39  11.231   2.391  -6.884
  277   3HG2  THR  39          3HG2      THR  39  12.826   1.596  -6.699
  278    H    CYS  40           H        CYS  40  10.125   2.380  -4.907
  279    HA   CYS  40           HA       CYS  40   9.022   2.732  -2.262
  280   1HB   CYS  40          1HB       CYS  40   8.994   0.392  -4.224
  281   2HB   CYS  40          2HB       CYS  40   8.325   0.270  -2.598
  282    HA   PRO  41           HA       PRO  41  12.602   1.105  -0.098
  283   1HB   PRO  41          1HB       PRO  41  11.608   1.034   2.405
  284   2HB   PRO  41          2HB       PRO  41  11.735   2.567   1.512
  285   1HG   PRO  41          1HG       PRO  41   9.286   0.787   1.731
  286   2HG   PRO  41          2HG       PRO  41   9.405   2.515   2.118
  287   1HD   PRO  41          1HD       PRO  41   8.555   1.676  -0.362
  288   2HD   PRO  41          2HD       PRO  41   9.609   3.107  -0.182
  289    H    SER  42           H        SER  42  13.194  -0.574   1.380
  290    HA   SER  42           HA       SER  42  12.478  -3.254   0.689
  291   1HB   SER  42          1HB       SER  42  14.656  -2.372   1.568
  292   2HB   SER  42          2HB       SER  42  13.864  -2.144   3.150
  293    HG   SER  42           HG       SER  42  13.427  -4.422   3.106
  294    H    SER  43           H        SER  43  11.317  -0.912   3.163
  295    HA   SER  43           HA       SER  43  10.192  -2.744   5.034
  296   1HB   SER  43          2HB       SER  43   9.697   0.086   4.386
  297   2HB   SER  43          1HB       SER  43   9.069  -0.742   5.814
  298    HG   SER  43           HG       SER  43  11.255  -1.136   6.414
  299    H    HIS  44           H        HIS  44   9.316  -1.393   2.001
  300    HA   HIS  44           HA       HIS  44   6.584  -2.672   1.891
  301   1HB   HIS  44          1HB       HIS  44   7.046   0.288   1.743
  302   2HB   HIS  44          2HB       HIS  44   5.601  -0.546   1.184
  303    HD1  HIS  44           HD1      HIS  44   7.470   0.172   4.436
  304    HD2  HIS  44           HD2      HIS  44   3.918  -1.573   3.046
  305    HE1  HIS  44           HE1      HIS  44   6.021  -0.300   6.490
  306    HE2  HIS  44           HE2      HIS  44   3.841  -1.374   5.658
  307    HA   PRO  45           HA       PRO  45   9.314  -2.897  -1.866
  308   1HB   PRO  45          1HB       PRO  45   8.814  -5.510  -2.599
  309   2HB   PRO  45          2HB       PRO  45   9.973  -5.022  -1.338
  310   1HG   PRO  45          1HG       PRO  45   7.089  -5.872  -0.957
  311   2HG   PRO  45          2HG       PRO  45   8.537  -6.504  -0.114
  312   1HD   PRO  45          1HD       PRO  45   7.038  -4.601   1.037
  313   2HD   PRO  45          2HD       PRO  45   8.811  -4.458   1.114
  314    H    SER  46           H        SER  46   5.777  -3.787  -1.685
  315    HA   SER  46           HA       SER  46   5.616  -3.671  -4.650
  316   1HB   SER  46          1HB       SER  46   4.553  -5.570  -3.528
  317   2HB   SER  46          2HB       SER  46   3.612  -4.480  -2.520
  318    HG   SER  46           HG       SER  46   2.701  -3.700  -4.525
  319    HXT  SER  46           HO        OH  47   4.977  -0.183  -3.822