*HEADER    ELECTRON TRANSPORT                      27-APR-98   1C2N      
*TITLE     CYTOCHROME C2, NMR, 20 STRUCTURES                             
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CYTOCHROME C2;                                     
*COMPND   3 CHAIN: NULL                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS;                 
*SOURCE   3 STRAIN: SB1003                                               
*KEYWDS    ELECTRON TRANSPORT                                            
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    F.CORDIER,M.S.CAFFREY,B.BRUTSCHER,M.A.CUSANOVICH,D.MARION,    
*AUTHOR   2 M.BLACKLEDGE                                                 
*REVDAT   1   12-OCT-04 1C2N    0   

!BIOSYM restraint 1
!
! NOE DISTANCES
#NOE_distance
1:ASP_2:HN      1:ALA_3:HB*     -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:ASP_2:HB2     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:ASP_106:HN    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:ASP_106:HA    -1.000  2.930   2.930   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:ASP_2:HA      -1.000  3.569   3.569   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:ASP_2:HB1     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:ASP_2:HB2     -1.000  3.010   3.010   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:GLY_1:HA1     -1.000  3.087   3.087   50.00   50.00   1000.00 0.00
1:ASP_2:HN      1:GLY_1:HA2     -1.000  3.256   3.256   50.00   50.00   1000.00 0.00
!
1:ALA_3:HN      1:ALA_3:HA      -1.000  3.217   3.217   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ALA_3:HB*     -1.000  4.281   3.281   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ALA_4:HN      -1.000  3.259   3.259   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ASP_2:HA      -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ASP_2:HN      -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:LYS_5:HN      -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ASP_106:HA    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ALA_109:HA    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ALA_109:HB*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_3:HN      1:ASP_2:HB2     -1.000  5.361   5.361   50.00   50.00   1000.00 0.00
!
1:ALA_4:HN      1:ALA_3:HB*     -1.000  3.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:ALA_4:HA      -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:ALA_3:HA      -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:ALA_4:HB*     -1.000  3.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:ASP_2:HA      -1.000  4.427   4.427   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:LYS_5:HN      -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:GLY_6:HN      -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_4:HN      1:ASP_2:HB2     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:LYS_5:HN      1:GLU_7:HN      -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:ALA_4:HA      -1.000  3.725   3.725   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:ALA_4:HB*     -1.000  4.205   3.205   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:ASP_2:HB2     -1.000  4.879   4.879   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:LYS_5:HA      -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:LYS_5:HB2     -1.000  4.154   3.154   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:LYS_5:HD*     -1.000  5.465   4.465   50.00   50.00   1000.00 0.00
1:LYS_5:HN      1:LYS_5:HG2     -1.000  2.602   2.602   50.00   50.00   1000.00 0.00
!
1:GLY_6:HN      1:ALA_3:HA      -1.000  3.534   3.534   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:ASP_106:HB2   -1.000  5.597   4.597   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:GLU_7:HN      -1.000  3.013   3.013   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:LYS_8:HN      -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:GLY_6:HA1     -1.000  3.151   3.151   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:GLY_6:HA2     -1.000  3.198   3.198   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:LYS_5:HA      -1.000  4.218   4.218   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:LYS_5:HB2     -1.000  4.818   3.818   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:LYS_5:HN      -1.000  3.067   3.067   50.00   50.00   1000.00 0.00
1:GLY_6:HN      1:VAL_107:HA    -1.000  5.239   5.239   50.00   50.00   1000.00 0.00
!
1:GLU_7:HN      1:ALA_3:HA      -1.000  5.298   5.298   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:ALA_4:HA      -1.000  3.582   3.582   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:GLU_7:HA      -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:GLU_7:HB*     -1.000  4.151   3.151   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:GLU_7:HG*     -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:GLY_6:HA1     -1.000  4.336   4.336   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:GLY_6:HA2     -1.000  3.966   3.966   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:LYS_8:HN      -1.000  3.056   3.056   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:TYR_110:HB2   -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLU_7:HN      1:TYR_110:HB1   -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:LYS_8:HN      1:GLU_7:HA      -1.000  3.906   3.906   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:GLU_7:HB*     -1.000  5.822   4.822   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:GLU_7:HG*     -1.000  5.889   4.889   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:LYS_5:HA      -1.000  3.908   3.908   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:LYS_8:HA      -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:LYS_8:HB*     -1.000  3.792   2.792   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:LYS_8:HD*     -1.000  5.383   4.383   50.00   50.00   1000.00 0.00
1:LYS_8:HN      1:LYS_8:HG1     -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
!
1:GLU_9:HN      1:ASN_11:HN     -1.000  4.200   4.200   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLU_7:HN      -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLU_9:HA      -1.000  3.082   3.082   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLY_6:HA2     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLY_6:HA1     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLU_9:HB1     -1.000  2.631   2.631   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLU_9:HB2     -1.000  3.077   3.077   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:GLU_9:HG*     -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:LYS_8:HB*     -1.000  3.918   2.918   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:LYS_8:HN      -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:GLU_9:HN      1:LYS_8:HA      -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:PHE_10:HN     1:ASN_11:HN     -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:GLY_6:HA2     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:GLU_7:HA      -1.000  4.201   4.201   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:GLU_9:HB2     -1.000  4.059   4.059   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:LYS_8:HN      -1.000  4.703   4.703   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:PHE_10:HA     -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:PHE_10:HB1    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:PHE_10:HN     1:PHE_10:HB2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
!
1:ASN_11:HD21   1:ASN_11:HB1    -1.000  4.818   3.818   50.00   50.00   1000.00 0.00
1:ASN_11:HD21   1:ASN_11:HB2    -1.000  5.218   4.218   50.00   50.00   1000.00 0.00
!
1:ASN_11:HD22   1:ASN_11:HB1    -1.000  5.738   4.738   50.00   50.00   1000.00 0.00
1:ASN_11:HD22   1:ASN_11:HB2    -1.000  5.439   4.439   50.00   50.00   1000.00 0.00
!
1:ASN_11:HN     1:CYS_13:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:LYS_8:HA      -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:ASN_11:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:PHE_10:HB1    -1.000  4.000   4.001   50.00   50.00   1000.00 0.00
!1:ASN_11:HN    1:PHE_10:HB2    -1.000  4.000   4.001   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:ASN_11:HB1    -1.000  4.001   3.001   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:ASN_11:HB2    -1.000  3.956   2.956   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:GLU_9:HA      -1.000  3.992   3.992   50.00   50.00   1000.00 0.00
1:ASN_11:HN     1:PHE_10:HA     -1.000  3.977   3.977   50.00   50.00   1000.00 0.00
!
1:LYS_12:HN     1:ASN_11:HB1    -1.000  5.090   4.090   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:ASN_11:HB2    -1.000  5.229   4.229   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:ASN_11:HN     -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:CYS_13:HN     -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HA     -1.000  2.984   2.984   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HD*    -1.000  4.992   3.992   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HB*    -1.000  4.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HE1    -1.000  4.364   4.364   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HE2    -1.000  4.364   4.364   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_12:HG2    -1.000  3.519   3.519   50.00   50.00   1000.00 0.00
1:LYS_12:HN     1:LYS_14:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!1:LYS_12:HN    1:PHE_10:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:CYS_13:HN     1:THR_15:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:CYS_13:HA     -1.000  4.059   4.059   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:CYS_13:HB1    -1.000  3.297   3.297   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:CYS_13:HB2    -1.000  3.914   3.914   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:LYS_12:HA     -1.000  3.896   3.896   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:LYS_12:HB*    -1.000  4.630   3.630   50.00   50.00   1000.00 0.00
1:CYS_13:HN     1:PHE_10:HA     -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
!
1:LYS_14:HN     1:CYS_13:HB1    -1.000  3.779   3.779   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:CYS_13:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:LYS_14:HB1    -1.000  2.794   2.794   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:LYS_14:HB2    -1.000  3.708   3.708   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:LYS_14:HD*    -1.000  5.584   4.584   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:LYS_14:HG*    -1.000  5.462   4.462   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:THR_15:HN     -1.000  3.244   3.244   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:PHE_10:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:PHE_10:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:LYS_14:HN     1:VAL_28:HG1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:THR_15:HN     1:HEM_0C:HMB*   -1.000  6.536   5.536   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:LYS_14:HA     -1.000  3.984   3.984   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:THR_15:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:THR_15:HB     -1.000  2.819   2.819   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:THR_15:HG2*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:PHE_10:HE*    -1.000  7.500   5.500   50.00   50.00   1000.00 0.00
1:THR_15:HN     1:LYS_14:HG*    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
!
1:CYS_16:HN     1:ALA_31:HB*    -1.000  6.747   5.747   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:CYS_16:HA     -1.000  3.757   3.757   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:HIS_17:HN     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:CYS_16:HB1    -1.000  3.558   3.558   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:CYS_16:HB2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:HEM_0C:HMB*   -1.000  6.321   5.321   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:LYS_14:HA     -1.000  3.913   3.913   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:THR_15:HA     -1.000  4.915   4.915   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:THR_15:HB     -1.000  3.551   3.551   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:THR_15:HG2*   -1.000  5.938   4.938   50.00   50.00   1000.00 0.00
1:CYS_16:HN     1:PHE_10:HE*    -1.000  8.000   6.000   50.00   50.00   1000.00 0.00
!
1:HIS_17:HD1    1:GLY_34:HA2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HIS_17:HD1    1:LEU_37:HD2*   -1.000  6.818   5.818   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:CYS_16:HB1    -1.000  4.433   4.433   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:CYS_16:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:THR_33:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:HIS_17:HA     -1.000  4.109   4.109   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:HIS_17:HB1    -1.000  3.664   3.664   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:HIS_17:HD1    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HIS_17:HB1    1:HIS_17:HD1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:HIS_17:HB2    1:HIS_17:HD1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:HIS_17:HA     1:HIS_17:HD1    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:HIS_17:HB2    -1.000  3.638   3.638   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:LYS_14:HA     -1.000  3.198   3.198   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:THR_15:HB     -1.000  5.732   5.732   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:THR_15:HN     -1.000  4.000   4.002   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:LEU_37:HD1*   -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:HIS_17:HN     1:PHE_10:HZ     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:SER_18:HN     1:ASN_36:HA     -1.000  4.532   4.532   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:HIS_17:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:HIS_17:HB1    -1.000  3.738   3.738   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:HIS_17:HB2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:SER_18:HA     -1.000  3.450   3.450   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:ILE_19:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:SER_18:HB2    -1.000  3.817   3.817   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:SER_18:HB1    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:PHE_10:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:ASN_36:HD21   -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:LEU_37:HD2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:HIS_17:HD1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:SER_18:HN     1:GLY_34:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:ILE_19:HN     1:ILE_19:HA     -1.000  3.397   3.397   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:ILE_19:HB     -1.000  3.940   3.940   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:ILE_19:HD1*   -1.000  6.127   5.127   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:ILE_19:HG2*   -1.000  5.648   4.648   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:ILE_20:HD1*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:SER_18:HA     -1.000  2.738   2.738   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:SER_18:HB2    -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:VAL_28:HG1*   -1.000  5.941   4.941   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:VAL_28:HG2*   -1.000  5.276   4.276   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:VAL_28:HN     -1.000  3.716   3.716   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:ILE_27:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:LYS_29:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:GLY_30:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!1:ILE_19:HN    1:LEU_37:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ILE_19:HN     1:SER_18:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:ILE_20:HN     1:ASN_36:HD21   -1.000  3.742   3.742   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ASN_36:HD22   -1.000  3.814   3.814   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_19:HG2*   -1.000  6.092   5.092   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_19:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:LEU_37:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_19:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_20:HB     -1.000  3.826   3.826   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_20:HD1*   -1.000  6.350   5.350   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:ILE_20:HG2*   -1.000  6.790   5.790   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:TYR_38:HB1    -1.000  4.314   4.314   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:TYR_38:HB2    -1.000  3.829   3.829   50.00   50.00   1000.00 0.00
1:ILE_20:HN     1:TYR_38:HN     -1.000  3.666   3.666   50.00   50.00   1000.00 0.00
!
1:ALA_21:HN     1:ALA_21:HA     -1.000  3.638   3.638   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ALA_21:HB*    -1.000  4.386   3.386   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:GLU_26:HA     -1.000  3.626   3.626   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_20:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_20:HD1*   -1.000  6.419   5.419   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_20:HG2*   -1.000  4.831   3.831   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_27:HD1*   -1.000  6.902   5.902   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_27:HB     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:ILE_27:HN     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_21:HN     1:THR_25:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:ASP_23:HN     1:ALA_21:HB*    -1.000  4.728   3.728   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:ASP_23:HA     -1.000  2.942   2.942   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:ASP_23:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:ASP_23:HB2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:PRO_22:HA     -1.000  3.532   3.532   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:PRO_22:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ASP_23:HN     1:PRO_22:HD1    -1.000  4.240   4.240   50.00   50.00   1000.00 0.00
!
1:GLY_24:HN     1:ASP_23:HA     -1.000  3.372   3.372   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:ASP_23:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:GLY_24:HA1    -1.000  2.669   2.669   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:GLY_24:HA2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:ILE_20:HG2*   -1.000  5.312   4.312   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:THR_25:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:THR_25:HN     -1.000  3.065   3.065   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:ASP_23:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:ASP_23:HB2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_24:HN     1:ALA_21:HB*    -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:THR_25:HN     1:ALA_21:HB*    -1.000  4.715   3.715   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:ASP_23:HN     -1.000  4.320   4.320   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:ASP_23:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:GLY_24:HA1    -1.000  3.877   3.877   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:GLY_24:HA2    -1.000  3.848   3.848   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:ILE_20:HD1*   -1.000  6.695   5.695   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:THR_25:HA     -1.000  3.024   3.024   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:THR_25:HB     -1.000  3.006   3.006   50.00   50.00   1000.00 0.00
1:THR_25:HN     1:THR_25:HG2*   -1.000  5.387   4.387   50.00   50.00   1000.00 0.00
!
1:GLU_26:HN     1:GLU_26:HA     -1.000  3.465   3.465   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:GLU_26:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:GLU_26:HB2    -1.000  2.938   2.938   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:GLU_26:HG1    -1.000  2.997   2.997   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:GLU_26:HG2    -1.000  3.518   3.518   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:THR_25:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:THR_25:HG2*   -1.000  4.715   3.715   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:ILE_27:HD1*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_26:HN     1:THR_25:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:ILE_27:HN     1:GLU_26:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_19:HG2*   -1.000  6.830   5.830   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_20:HA     -1.000  3.249   3.249   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_20:HD1*   -1.000  6.167   5.167   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_20:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_27:HA     -1.000  3.047   3.047   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_27:HB     -1.000  2.888   2.888   50.00   50.00   1000.00 0.00
1:ILE_27:HN     1:ILE_27:HG12   -1.000  3.956   3.956   50.00   50.00   1000.00 0.00
!
1:VAL_28:HN     1:GLU_26:HA     -1.000  3.940   3.940   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:LYS_29:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_19:HB     -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_19:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_19:HG11   -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_27:HA     -1.000  3.950   3.950   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_27:HB     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_27:HD1*   -1.000  6.021   5.021   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_27:HN     -1.000  3.141   3.141   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:VAL_28:HG1*   -1.000  5.387   4.387   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:VAL_28:HG2*   -1.000  5.349   4.349   50.00   50.00   1000.00 0.00
1:VAL_28:HN     1:ILE_20:HD1*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:LYS_29:HN     1:GLY_30:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LYS_29:HN     1:LYS_29:HA     -1.000  3.491   3.491   50.00   50.00   1000.00 0.00
1:LYS_29:HN     1:LYS_29:HB1    -1.000  3.024   3.024   50.00   50.00   1000.00 0.00
1:LYS_29:HN     1:LYS_29:HB2    -1.000  3.641   3.641   50.00   50.00   1000.00 0.00
1:LYS_29:HN     1:VAL_28:HG1*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_29:HN     1:VAL_28:HG2*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
!
1:GLY_30:HN     1:ALA_31:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:GLY_30:HA1    -1.000  3.290   3.290   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:GLY_30:HA2    -1.000  3.349   3.349   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:LYS_29:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:LYS_29:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:LYS_29:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:SER_18:HA     -1.000  3.612   3.612   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:SER_18:HB2    -1.000  4.020   4.020   50.00   50.00   1000.00 0.00
1:GLY_30:HN     1:VAL_28:HG2*   -1.000  6.149   5.149   50.00   50.00   1000.00 0.00
!
1:ALA_31:HN     1:ALA_31:HA     -1.000  3.312   3.312   50.00   50.00   1000.00 0.00
1:ALA_31:HN     1:ALA_31:HB*    -1.000  4.391   3.391   50.00   50.00   1000.00 0.00
1:ALA_31:HN     1:GLY_30:HA1    -1.000  2.823   2.823   50.00   50.00   1000.00 0.00
1:ALA_31:HN     1:GLY_30:HA2    -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
!
1:LYS_32:HN     1:THR_33:HN     -1.000  3.500   3.500    50.00   50.00   1000.00 0.00
1:LYS_32:HN     1:ALA_31:HN     -1.000  5.000   5.000    50.00   50.00   1000.00 0.00
1:LYS_32:HN     1:GLY_34:HN     -1.000  6.000   6.000    50.00   50.00   1000.00 0.00
1:LYS_32:HN     1:ALA_31:HA     -1.000  2.600   2.600    50.00   50.00   1000.00 0.00
1:LYS_32:HN     1:CYS_16:HA     -1.000  5.000   5.000    50.00   50.00   1000.00 0.00
!
1:THR_33:HN     1:GLY_34:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:CYS_16:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:LYS_32:HA     -1.000  3.304   3.304   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:THR_33:HA     -1.000  2.954   2.954   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:THR_33:HB     -1.000  2.896   2.896   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:THR_33:HG2*   -1.000  5.991   4.991   50.00   50.00   1000.00 0.00
1:THR_33:HN     1:GLY_34:HA2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:GLY_34:HN     1:HIS_17:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:CYS_16:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:CYS_16:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:GLY_34:HA1    -1.000  3.528   3.528   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:GLY_34:HA2    -1.000  3.388   3.388   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:LYS_32:HA     -1.000  4.408   4.408   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:THR_33:HA     -1.000  4.182   4.182   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:THR_33:HB     -1.000  3.001   3.001   50.00   50.00   1000.00 0.00
1:GLY_34:HN     1:THR_33:HG2*   -1.000  6.601   5.601   50.00   50.00   1000.00 0.00
!
1:ASN_36:HD21   1:ILE_20:HB     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD21   1:TYR_48:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:TYR_48:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD21   1:TYR_38:HD*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:TYR_38:HD*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:TYR_38:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:TYR_38:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD21   1:ILE_20:HG2*   -1.000  6.280   5.280   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:ILE_20:HG2*   -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:ASN_36:HB2    -1.000  3.598   3.598   50.00   50.00   1000.00 0.00
1:ASN_36:HD22   1:ILE_20:HB     -1.000  3.263   3.263   50.00   50.00   1000.00 0.00
!
1:ASN_36:HN     1:SER_18:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!1:ASN_36:HN    1:GLY_34:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ASN_36:HN     1:ASN_36:HA     -1.000  3.312   3.312   50.00   50.00   1000.00 0.00
1:ASN_36:HN     1:ASN_36:HB1    -1.000  2.779   2.779   50.00   50.00   1000.00 0.00
1:ASN_36:HN     1:ASN_36:HB2    -1.000  3.157   3.157   50.00   50.00   1000.00 0.00
1:ASN_36:HN     1:PRO_35:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ASN_36:HN     1:PRO_35:HB*    -1.000  5.560   4.560   50.00   50.00   1000.00 0.00
!
1:LEU_37:HN     1:ASN_36:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:ASN_36:HN     -1.000  4.363   4.363   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HB1    -1.000  4.542   4.542   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HB2    -1.000  4.223   4.223   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HD2*   -1.000  4.256   3.256   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HD1*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:LEU_37:HG     -1.000  3.137   3.137   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:TYR_38:HN     -1.000  3.450   3.450   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:SER_18:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:ILE_19:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:SER_18:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LEU_37:HN     1:ILE_19:HG11   -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:TYR_38:HN     1:TYR_38:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:GLY_39:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:LEU_37:HD1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ILE_19:HG11   -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ILE_20:HB     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ILE_20:HG2*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ASN_36:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ILE_19:HA     -1.000  2.967   2.967   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:ILE_19:HG2*   -1.000  5.492   4.492   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:LEU_37:HA     -1.000  4.096   4.096   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:TYR_38:HA     -1.000  3.590   3.590   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:TYR_38:HB1    -1.000  2.997   2.997   50.00   50.00   1000.00 0.00
1:TYR_38:HN     1:TYR_38:HB2    -1.000  2.826   2.826   50.00   50.00   1000.00 0.00
!
1:GLY_39:HN     1:GLY_39:HA1    -1.000  2.695   2.695   50.00   50.00   1000.00 0.00
1:GLY_39:HN     1:GLY_39:HA2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLY_39:HN     1:TYR_38:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLY_39:HN     1:VAL_115:HG2*  -1.000  5.209   4.209   50.00   50.00   1000.00 0.00
1:GLY_39:HN     1:TYR_38:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:GLY_39:HN     1:VAL_40:HB     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:VAL_40:HN     1:GLY_39:HA1    -1.000  3.791   3.791   50.00   50.00   1000.00 0.00
1:VAL_40:HN     1:GLY_39:HA2    -1.000  3.858   3.858   50.00   50.00   1000.00 0.00
1:VAL_40:HN     1:TYR_38:HA     -1.000  4.553   4.553   50.00   50.00   1000.00 0.00
1:VAL_40:HN     1:VAL_40:HA     -1.000  3.217   3.217   50.00   50.00   1000.00 0.00
1:VAL_40:HN     1:VAL_40:HB     -1.000  2.896   2.896   50.00   50.00   1000.00 0.00
1:VAL_40:HN     1:VAL_40:HG2*   -1.000  4.500   3.500   50.00   50.00   1000.00 0.00
!
1:VAL_41:HN     1:ILE_72:HD1*   -1.000  6.236   5.236   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:TRP_67:HD1    -1.000  6.500   6.500   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:ALA_112:HN    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:LEU_111:HD2*  -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_40:HA     -1.000  4.539   4.539   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_40:HN     -1.000  3.089   3.089   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_41:HA     -1.000  3.457   3.457   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_41:HB     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_41:HG1*   -1.000  4.706   3.706   50.00   50.00   1000.00 0.00
1:VAL_41:HN     1:VAL_41:HG2*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
!
1:GLY_42:HN     1:GLY_42:HA1    -1.000  3.047   3.047   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:GLY_42:HA2    -1.000  2.954   2.954   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:VAL_40:HG2*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:VAL_41:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:TRP_67:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:TRP_67:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:TRP_67:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:VAL_41:HG1*   -1.000  4.787   3.787   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:VAL_41:HG2*   -1.000  5.470   4.470   50.00   50.00   1000.00 0.00
1:GLY_42:HN     1:VAL_41:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:ARG_43:HN     1:VAL_41:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:GLY_42:HN     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:TRP_67:HD1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:TRP_67:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:GLY_42:HA1    -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:ARG_43:HA     -1.000  3.290   3.290   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:ARG_43:HB1    -1.000  2.938   2.938   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:ARG_43:HB2    -1.000  2.992   2.992   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:GLY_42:HA2    -1.000  3.283   3.283   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:TRP_67:HN     -1.000  5.038   5.038   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:VAL_40:HA     -1.000  3.738   3.738   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:VAL_41:HA     -1.000  3.581   3.581   50.00   50.00   1000.00 0.00
1:ARG_43:HN     1:VAL_41:HG1*   -1.000  6.006   5.006   50.00   50.00   1000.00 0.00
!
1:THR_44:HN     1:ALA_45:HN     -1.000  5.083   5.083   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:TRP_67:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:ALA_66:HB*    -1.000  6.298   5.298   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:ARG_43:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:ARG_43:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:ARG_43:HG*    -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:ARG_43:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:THR_44:HA     -1.000  3.456   3.456   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:THR_44:HB     -1.000  2.657   2.657   50.00   50.00   1000.00 0.00
1:THR_44:HN     1:THR_44:HG2*   -1.000  6.051   5.051   50.00   50.00   1000.00 0.00
!
1:ALA_45:HN     1:ALA_45:HA     -1.000  3.500   6.000   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:ALA_45:HB*    -1.000  4.448   3.448   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:ALA_66:HA     -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:ALA_66:HB*    -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:THR_44:HA     -1.000  2.643   2.643   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:THR_44:HG2*   -1.000  4.938   3.938   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:TRP_67:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:PHE_65:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_45:HN     1:GLY_61:HA1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:GLY_46:HN     1:ALA_45:HA     -1.000  3.015   3.015   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:ALA_45:HB*    -1.000  5.268   4.268   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:GLY_46:HA1    -1.000  3.679   3.679   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:GLY_46:HA2    -1.000  3.364   3.364   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:TRP_67:HZ2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:THR_47:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_46:HN     1:VAL_58:HG1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:THR_47:HN     1:THR_47:HA     -1.000  5.942   5.942   50.00   50.00   1000.00 0.00
1:THR_47:HN     1:TYR_48:HN     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:THR_47:HN     1:GLY_46:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:THR_47:HN     1:THR_47:HG2*   -1.000  5.646   4.646   50.00   50.00   1000.00 0.00
1:THR_47:HN     1:TYR_53:HH     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:TYR_48:HN     1:TYR_48:HA     -1.000  3.938   3.938   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:TYR_48:HB1    -1.000  3.180   3.180   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:TYR_48:HB2    -1.000  3.380   3.380   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:PRO_35:HB*    -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:THR_47:HB     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:TYR_53:HH     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:TYR_53:HE1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_48:HN     1:TYR_53:HE2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:GLU_50:HN     1:GLU_50:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:GLU_50:HB*    -1.000  4.754   3.754   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:GLU_50:HG*    -1.000  4.508   3.508   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:PHE_51:HN     -1.000  3.209   3.209   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:PRO_49:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:PRO_49:HB1    -1.000  2.826   2.826   50.00   50.00   1000.00 0.00
1:GLU_50:HN     1:PRO_49:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:PHE_51:HN     1:GLU_50:HA     -1.000  3.146   3.146   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:GLU_50:HB*    -1.000  6.037   5.037   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:GLU_50:HG*    -1.000  6.169   5.169   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:LYS_52:HN     -1.000  3.896   3.896   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:PHE_51:HA     -1.000  2.899   2.899   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:PRO_49:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_51:HN     1:PHE_51:HB*    -1.000  3.977   2.977   50.00   50.00   1000.00 0.00
!
1:LYS_52:HN     1:LYS_52:HA     -1.000  3.062   3.062   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:LYS_52:HB1    -1.000  2.800   2.819   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:LYS_52:HB2    -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:LYS_52:HG*    -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:PHE_51:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:PHE_51:HB*    -1.000  5.730   4.730   50.00   50.00   1000.00 0.00
1:LYS_52:HN     1:GLU_50:HA     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:TYR_53:HN     1:ILE_57:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:LYS_52:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
!1:TYR_53:HN    1:LYS_54:HG1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:LYS_52:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:TYR_53:HA      2.800  6.000   6.000   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:TYR_53:HB1    -1.000  4.000   4.024   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:TYR_53:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_53:HN     1:TYR_53:HD1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:LYS_54:HN     1:ILE_57:HG2*   -1.000  5.492   4.492   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:LYS_54:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:LYS_54:HB2    -1.000  3.836   3.836   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:LYS_54:HG1    -1.000  4.022   4.022   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:LYS_54:HG2    -1.000  3.719   3.719   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:TYR_53:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:LYS_54:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:TYR_53:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:TYR_53:HB2    -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:LYS_54:HN     1:VAL_58:HG1*   -1.000  6.736   5.736   50.00   50.00   1000.00 0.00
!1:LYS_54:HN    1:ILE_57:HG1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:ASP_55:HN     1:ASP_55:HA     -1.000  2.860   2.860   50.00   50.00   1000.00 0.00
1:ASP_55:HN     1:ASP_55:HB2    -1.000  4.174   3.174   50.00   50.00   1000.00 0.00
1:ASP_55:HN     1:LYS_54:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ASP_55:HN     1:LYS_54:HB1    -1.000  3.568   3.568   50.00   50.00   1000.00 0.00
1:ASP_55:HN     1:LYS_54:HB2    -1.000  2.829   2.829   50.00   50.00   1000.00 0.00
!
1:SER_56:HN     1:ASP_55:HA     -1.000  3.686   3.686   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ASP_55:HN     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ILE_57:HN     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:LYS_93:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ALA_92:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:LYS_54:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:SER_56:HA     -1.000  3.236   3.236   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:SER_56:HB1    -1.000  3.521   3.521   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:SER_56:HB2    -1.000  3.956   3.956   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ILE_57:HB     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ASP_55:HB1    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_56:HN     1:ALA_59:HB*    -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:ILE_57:HN     1:ILE_57:HA     -1.000  3.602   3.602   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:ILE_57:HB     -1.000  2.823   2.823   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:ILE_57:HD1*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:ILE_57:HG2*   -1.000  4.596   3.596   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:LEU_83:HD1*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:SER_56:HA     -1.000  4.864   4.864   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:SER_56:HB1    -1.000  3.894   3.894   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:VAL_58:HN     -1.000  3.283   3.283   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:ALA_59:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:SER_56:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ILE_57:HN     1:LEU_83:HD2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:VAL_58:HN     1:ASP_55:HA     -1.000  3.995   3.995   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:ILE_57:HA     -1.000  5.104   5.104   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:ILE_57:HG2*   -1.000  4.750   3.750   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:VAL_58:HA     -1.000  3.269   3.269   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:VAL_58:HB     -1.000  2.684   2.684   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:VAL_58:HG1*   -1.000  4.174   3.174   50.00   50.00   1000.00 0.00
1:VAL_58:HN     1:VAL_58:HG2*   -1.000  5.186   4.186   50.00   50.00   1000.00 0.00
!
1:ALA_59:HN     1:ALA_59:HA     -1.000  2.826   2.826   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:ALA_59:HB*    -1.000  3.897   2.897   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:SER_56:HA     -1.000  3.697   3.697   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:VAL_58:HA     -1.000  3.891   3.891   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:VAL_58:HB     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:VAL_58:HG2*   -1.000  5.321   4.321   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:VAL_58:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:SER_56:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_59:HN     1:LEU_60:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:LEU_60:HN     1:ALA_59:HA     -1.000  4.067   4.067   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:ALA_59:HB*    -1.000  4.557   3.557   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:ALA_59:HN     -1.000  3.230   3.230   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:GLY_61:HN     -1.000  3.188   3.188   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:ILE_57:HA     -1.000  3.364   3.364   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_60:HA     -1.000  2.791   2.791   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_60:HB1    -1.000  3.186   3.186   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_60:HB2    -1.000  3.097   3.097   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_60:HD2*   -1.000  6.684   5.684   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_60:HD1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_87:HD1*   -1.000  5.906   4.906   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:LEU_87:HD2*   -1.000  5.358   4.358   50.00   50.00   1000.00 0.00
1:LEU_60:HN     1:VAL_58:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:GLY_61:HN     1:ALA_45:HB*    -1.000  4.806   3.806   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:GLY_61:HA1    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:GLY_61:HA2    -1.000  2.907   2.907   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:LEU_60:HB1    -1.000  3.631   3.631   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:LEU_60:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:ALA_59:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:PHE_65:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:SER_63:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:LEU_60:HB2    -1.000  3.656   3.656   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:LEU_60:HD2*   -1.000  6.363   5.363   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:THR_44:HG2*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_61:HN     1:VAL_58:HA     -1.000  3.767   3.767   50.00   50.00   1000.00 0.00
!
1:ALA_62:HN     1:ALA_59:HA     -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:VAL_58:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:ALA_62:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:ALA_62:HB*    -1.000  3.750   2.750   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:GLY_61:HA1    -1.000  4.000   3.297   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:GLY_61:HA2    -1.000  3.500   3.283   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:GLY_61:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:LEU_60:HN     -1.000  4.300   4.300   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:SER_63:HN     -1.000  3.096   3.096   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:THR_44:HG2*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ALA_62:HN     1:VAL_58:HG2*   -1.000  6.766   5.766   50.00   50.00   1000.00 0.00
!
1:SER_63:HN     1:ALA_62:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:LEU_60:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:ALA_62:HB*    -1.000  3.891   2.891   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:GLY_61:HA2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:PHE_65:HN     -1.000  3.820   3.820   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:SER_63:HA     -1.000  3.174   3.174   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:SER_63:HB1    -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:SER_63:HN     1:SER_63:HB2    -1.000  3.829   3.829   50.00   50.00   1000.00 0.00
!
1:GLY_64:HN     1:ALA_62:HA     -1.000  3.652   3.652   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:ALA_62:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:ALA_62:HB*    -1.000  5.200   4.200   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:GLY_61:HA1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:GLY_64:HA1    -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:GLY_64:HA2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:PHE_65:HB1    -1.000  4.655   4.655   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:PHE_65:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:SER_63:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:PHE_65:HN     -1.000  3.178   3.178   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:SER_63:HA     -1.000  3.631   3.631   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:SER_63:HN     -1.000  3.060   3.060   50.00   50.00   1000.00 0.00
1:GLY_64:HN     1:THR_44:HG2*   -1.000  5.251   4.251   50.00   50.00   1000.00 0.00
!
1:PHE_65:HN     1:GLY_61:HA2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:GLY_64:HA1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:GLY_64:HA2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:LEU_60:HD2*   -1.000  6.774   5.774   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:LEU_60:HD1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:PHE_65:HD*    -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:PHE_65:HA     -1.000  3.230   3.230   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:PHE_65:HB1    -1.000  2.870   2.870   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:PHE_65:HB2    -1.000  2.950   2.950   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:ALA_45:HB*    -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_65:HN     1:THR_44:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:ALA_66:HN     1:ALA_66:HA     -1.000  3.630   3.630   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:ALA_66:HB*    -1.000  4.331   3.331   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:PHE_65:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:PHE_65:HB1    -1.000  4.671   4.671   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:PHE_65:HB2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:PHE_65:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_66:HN     1:PHE_65:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:TRP_67:HE1    1:ALA_45:HA     -1.000  2.954   2.954   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:ALA_45:HB*    -1.000  5.470   4.470   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:GLY_46:HN     -1.000  3.926   3.926   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:HEM_0C:HAD2   -1.000  4.364   4.364   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:HEM_0C:HMD*   -1.000  6.558   5.558   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:VAL_40:HG1*   -1.000  6.721   5.721   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:ALA_45:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:TRP_67:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:PHE_65:HD*    -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:HEM_0C:HAD1   -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:HEM_0C:HBD1   -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:HEM_0C:HBD2   -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:TRP_67:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:GLY_46:HA1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:ILE_57:HD1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:LEU_37:HD2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:TRP_67:HE1    1:LEU_60:HD1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:TRP_67:HN     1:ALA_66:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:ALA_66:HB*    -1.000  4.357   3.357   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:THR_44:HA     -1.000  3.700   3.700   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:TRP_67:HB1    -1.000  3.913   3.913   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:TRP_67:HB2    -1.000  3.042   3.042   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:VAL_41:HA     -1.000  5.306   5.306   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:ALA_66:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:THR_68:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:TRP_67:HA     -1.000  3.006   3.006   50.00   50.00   1000.00 0.00
1:TRP_67:HN     1:PHE_65:HE*    -1.000  8.000   6.000   50.00   50.00   1000.00 0.00
!
1:THR_68:HN     1:ASP_71:HB1    -1.000  3.502   3.502   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:ASP_71:HB2    -1.000  4.146   4.146   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:THR_68:HA     -1.000  3.748   3.748   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:THR_68:HG2*   -1.000  4.478   3.478   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:TRP_67:HA     -1.000  2.662   2.662   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:GLU_69:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:TRP_67:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:TRP_67:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:THR_68:HN     1:VAL_40:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:GLU_69:HN     1:GLU_69:HA     -1.000  3.180   3.180   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:GLU_69:HB1    -1.000  3.280   3.280   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:GLU_69:HB2    -1.000  3.553   3.553   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:GLU_69:HG1    -1.000  3.010   3.010   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:GLU_69:HG2    -1.000  3.461   3.461   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:GLU_70:HN     -1.000  3.337   3.337   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:THR_68:HA     -1.000  2.695   2.695   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:THR_68:HB     -1.000  2.823   2.823   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:THR_68:HG2*   -1.000  5.449   4.449   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:VAL_41:HG1*   -1.000  5.428   4.428   50.00   50.00   1000.00 0.00
1:GLU_69:HN     1:VAL_41:HG2*   -1.000  5.930   4.930   50.00   50.00   1000.00 0.00
!
1:GLU_70:HN     1:ASP_71:HN     -1.000  3.115   3.115   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_69:HA     -1.000  4.612   4.612   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_69:HB1    -1.000  3.754   3.754   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_69:HB2    -1.000  4.141   4.141   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_69:HG2    -1.000  4.314   4.314   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_70:HA     -1.000  3.100   3.100   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_70:HB2    -1.000  3.047   3.047   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_70:HB1     3.000 20.000   20.00   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_70:HG1    -1.000  3.223   3.223   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:GLU_70:HG2    -1.000  3.765   3.765   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:ILE_72:HN     -1.000  4.145   4.145   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:THR_68:HA     -1.000  4.462   4.462   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:THR_68:HB     -1.000  3.535   3.535   50.00   50.00   1000.00 0.00
1:GLU_70:HN     1:THR_68:HG2*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
!
1:ASP_71:HN     1:ALA_73:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:ASP_71:HA     -1.000  3.357   3.357   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:ASP_71:HB1    -1.000  3.457   3.457   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:ASP_71:HB2    -1.000  3.481   3.481   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:GLU_70:HA     -1.000  3.943   3.943   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:GLU_70:HB1    -1.000  5.336   4.336   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:GLU_70:HB2    -1.000  3.918   2.918   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:GLU_70:HG2    -1.000  4.390   4.390   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:THR_68:HB     -1.000  4.639   4.639   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:THR_68:HN     -1.000  3.684   3.684   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:TRP_67:HE3    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ASP_71:HN     1:PHE_65:HE*    -1.000  8.000   6.000   50.00   50.00   1000.00 0.00
!
1:ILE_72:HN     1:ALA_108:HB*   -1.000  6.652   5.652   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ALA_73:HB*    -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ALA_73:HN     -1.000  3.076   3.076   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ASP_71:HB1    -1.000  4.243   4.243   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ASP_71:HN     -1.000  3.181   3.181   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HA     -1.000  3.600   3.600   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HB     -1.000  2.677   2.677   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HD1*   -1.000  5.587   4.587   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HG11   -1.000  3.312   3.312   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HG12   -1.000  4.449   4.449   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:ILE_72:HG2*   -1.000  5.710   4.710   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:THR_68:HN     -1.000  3.805   3.805   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:TRP_67:HE3    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ILE_72:HN     1:GLU_69:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:ALA_73:HN     1:ALA_108:HB*   -1.000  4.986   3.986   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ALA_73:HA     -1.000  2.846   2.846   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ALA_73:HB*    -1.000  4.033   3.033   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:GLU_69:HA     -1.000  4.430   4.430   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:GLU_70:HA     -1.000  3.823   3.823   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ILE_72:HA     -1.000  4.284   4.284   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ILE_72:HB     -1.000  3.211   3.211   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ILE_72:HD1*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:ILE_72:HG2*   -1.000  5.294   4.294   50.00   50.00   1000.00 0.00
1:ALA_73:HN     1:THR_74:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
!
1:THR_74:HN     1:ALA_73:HA     -1.000  4.218   4.218   50.00   50.00   1000.00 0.00
1:THR_74:HN     1:ALA_73:HB*    -1.000  4.484   3.484   50.00   50.00   1000.00 0.00
1:THR_74:HN     1:ASP_71:HA     -1.000  3.565   3.565   50.00   50.00   1000.00 0.00
1:THR_74:HN     1:THR_74:HA     -1.000  2.899   2.899   50.00   50.00   1000.00 0.00
1:THR_74:HN     1:THR_74:HB     -1.000  2.738   2.738   50.00   50.00   1000.00 0.00
!
1:TYR_75:HN     1:PHE_82:HD*    -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:ILE_72:HA     -1.000  4.051   4.051   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:THR_74:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:THR_74:HB     -1.000  3.198   3.198   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:THR_74:HN     -1.000  3.100   3.100   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:TYR_75:HA     -1.000  3.357   3.357   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:TYR_75:HB1    -1.000  3.192   3.192   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:TYR_75:HB2    -1.000  3.249   3.249   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:VAL_76:HN     -1.000  3.422   3.422   50.00   50.00   1000.00 0.00
1:TYR_75:HN     1:TRP_67:HH2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:VAL_76:HN     1:ALA_73:HA     -1.000  4.187   4.187   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:ASP_78:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:ILE_72:HA     -1.000  5.489   5.489   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:ILE_72:HG2*   -1.000  5.804   4.804   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:LYS_77:HN     -1.000  3.152   3.152   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:TYR_75:HA     -1.000  4.957   4.957   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:TYR_75:HB2    -1.000  4.043   4.043   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:TYR_75:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:VAL_76:HA     -1.000  3.397   3.397   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:VAL_76:HG1*   -1.000  4.367   3.367   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:VAL_76:HG2*   -1.000  4.302   3.302   50.00   50.00   1000.00 0.00
1:VAL_76:HN     1:TRP_67:HH2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:LYS_77:HN     1:ASP_78:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:LYS_77:HA     -1.000  3.208   3.208   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:LYS_77:HB*    -1.000  3.777   2.777   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:LYS_77:HD*    -1.000  5.322   4.322   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:LYS_77:HG1    -1.000  4.204   4.204   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:LYS_77:HG2    -1.000  3.118   3.118   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:THR_74:HA     -1.000  4.700   4.700   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:VAL_76:HA     -1.000  3.867   3.867   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:VAL_76:HB     -1.000  3.634   3.634   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:VAL_76:HG1*   -1.000  6.642   5.642   50.00   50.00   1000.00 0.00
1:LYS_77:HN     1:VAL_76:HG2*   -1.000  4.927   3.927   50.00   50.00   1000.00 0.00
!1:LYS_77:HN    1:TYR_75:HD1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:ASP_78:HN     1:ALA_81:HB*    -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:ASP_78:HA     -1.000  3.033   3.033   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:ASP_78:HB1    -1.000  3.952   3.952   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:ASP_78:HB2    -1.000  3.838   3.838   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:LYS_77:HA     -1.000  3.639   3.639   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:LYS_77:HB*    -1.000  4.508   3.508   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:PRO_79:HD1    -1.000  3.326   3.326   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:PRO_79:HD2    -1.000  4.194   4.194   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:VAL_76:HA     -1.000  4.564   4.564   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:VAL_76:HG2*   -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:LYS_99:HB1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:LYS_99:HD*    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:ASP_78:HN     1:PRO_79:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:GLY_80:HN     1:ALA_81:HN     -1.000  3.800   3.800   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:GLY_80:HA1    -1.000  2.741   2.741   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:GLY_80:HA2    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PHE_82:HN     -1.000  4.033   4.033   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HA     -1.000  4.612   4.612   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HB1    -1.000  3.770   3.770   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:THR_94:HG2*   -1.000  4.915   3.915   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:THR_94:HB     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HG1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HD2     3.500  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:PRO_79:HD1     4.000  10.000  5.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:ASP_78:HB2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_80:HN     1:MET_96:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:ALA_81:HN     1:ALA_81:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ALA_81:HN     1:ALA_81:HB*    -1.000  3.869   2.869   50.00   50.00   1000.00 0.00
1:ALA_81:HN     1:GLY_80:HA1    -1.000  4.016   4.016   50.00   50.00   1000.00 0.00
1:ALA_81:HN     1:GLY_80:HA2    -1.000  3.566   3.566   50.00   50.00   1000.00 0.00
1:ALA_81:HN     1:ASP_78:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:PHE_82:HN     1:ALA_81:HA     -1.000  3.734   3.734   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:ALA_81:HB*    -1.000  4.649   3.649   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:ALA_81:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:PHE_82:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:PHE_82:HB1    -1.000  2.892   2.892   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:PHE_82:HD*    -1.000  5.500   3.500   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:PHE_82:HB2    -1.000  3.186   3.186   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:PRO_79:HA     -1.000  4.344   4.344   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:TYR_75:HA     -1.000  4.974   4.974   50.00   50.00   1000.00 0.00
!1:PHE_82:HN    1:TYR_75:HD1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:ASP_78:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_82:HN     1:LEU_83:HG     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:LEU_83:HN     1:ALA_81:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:GLY_80:HA2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HB1    -1.000  3.300   3.300   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HB2    -1.000  3.798   3.798   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HD1*   -1.000  5.155   4.155   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HD2*   -1.000  4.768   3.768   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:PHE_82:HD*    -1.000  5.500   3.500   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:LEU_83:HG     -1.000  3.100   3.100   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:PHE_82:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:PHE_82:HB1    -1.000  3.665   3.665   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:PHE_82:HB2    -1.000  4.079   4.079   50.00   50.00   1000.00 0.00
1:LEU_83:HN     1:PHE_82:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
!
1:LYS_84:HN     1:ALA_81:HA     -1.000  3.654   3.654   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:ALA_92:HB*    -1.000  5.765   4.765   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:GLU_85:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LEU_83:HB1    -1.000  3.405   3.405   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LEU_83:HB2    -1.000  3.236   3.236   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LYS_84:HA     -1.000  3.129   3.129   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LEU_83:HA     -1.000  3.500   3.500   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LYS_84:HB1    3.000   6.000   6.000   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LYS_84:HB2    -1.000  3.236   3.236   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LYS_84:HD1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LYS_84:HD2    -1.000  3.649   3.649   50.00   50.00   1000.00 0.00
1:LYS_84:HN     1:LEU_83:HD2*   -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
!
1:GLU_85:HN     1:GLU_85:HB1    -1.000  2.800   2.600   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:GLU_85:HB2    -1.000  2.800   2.600   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:GLU_85:HG1    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!1:GLU_85:HN    1:GLU_85:HG2    -1.000  4.000   3.923   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:LYS_84:HB1    3.0000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:LYS_84:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:ALA_81:HB*    -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:GLU_85:HN     1:LYS_84:HB2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:LYS_86:HN     1:ASP_88:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:GLU_85:HG1    -1.000  4.292   4.292   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:GLU_85:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LEU_60:HD1*   -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LEU_87:HN     -1.000  3.198   3.198   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LYS_86:HA     -1.000  3.006   3.006   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LEU_83:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LYS_86:HB*    -1.000  4.074   3.074   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LYS_86:HD*    -1.000  5.223   4.223   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LYS_86:HG1    -1.000  3.092   3.092   50.00   50.00   1000.00 0.00
1:LYS_86:HN     1:LYS_86:HG2    -1.000  3.551   3.551   50.00   50.00   1000.00 0.00
!
1:LEU_87:HN     1:ASP_88:HN     -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:ASP_89:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_87:HA     -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LYS_84:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_87:HB1    -1.000  2.791   2.791   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_87:HB2    -1.000  2.938   2.938   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_87:HD1*   -1.000  5.438   4.438   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_87:HD2*   -1.000  5.397   4.397   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LYS_86:HB*    -1.000  4.789   3.789   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LYS_86:HA     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LEU_87:HN     1:LEU_60:HD2*   -1.000  6.000   5.003   50.00   50.00   1000.00 0.00
!
1:ASP_88:HN     1:ASP_88:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ASP_88:HN     1:ASP_88:HB1    -1.000  3.118   3.118   50.00   50.00   1000.00 0.00
1:ASP_88:HN     1:ASP_88:HB2    -1.000  3.461   3.461   50.00   50.00   1000.00 0.00
!1:ASP_88:HN    1:GLU_85:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_88:HN     1:LEU_87:HA     -1.000  3.300   3.300   50.00   50.00   1000.00 0.00
!
1:ASP_89:HN     1:ALA_92:HB*    -1.000  6.591   5.591   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_88:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_88:HB1    -1.000  4.859   4.859   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_88:HN     -1.000  3.298   3.298   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_89:HA     -1.000  3.256   3.256   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_89:HB1    -1.000  3.211   3.211   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:ASP_89:HB2    -1.000  3.364   3.364   50.00   50.00   1000.00 0.00
1:ASP_89:HN     1:LYS_84:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:LYS_90:HN     1:ALA_92:HN     -1.000  4.281   4.281   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:ASP_89:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:ASP_89:HB1    -1.000  4.194   4.194   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:ASP_89:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_90:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_90:HB1    -1.000  2.942   2.942   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_90:HB2    -1.000  2.791   2.791   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_90:HD*    -1.000  5.435   4.435   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_90:HG*    -1.000  5.510   4.510   50.00   50.00   1000.00 0.00
1:LYS_90:HN     1:LYS_91:HN     -1.000  3.358   3.358   50.00   50.00   1000.00 0.00
!
1:LYS_91:HN     1:ALA_92:HN     -1.000  4.050   4.050   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:LYS_90:HA     -1.000  3.607   3.607   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:ASP_89:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:LYS_90:HB1    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:LYS_91:HA     -1.000  2.918   2.918   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:LYS_91:HB*    -1.000  3.911   2.911   50.00   50.00   1000.00 0.00
1:LYS_91:HN     1:LYS_91:HD*    -1.000  5.243   4.243   50.00   50.00   1000.00 0.00
!
1:ALA_92:HN     1:LYS_84:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:LYS_84:HG*    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:ALA_92:HA     -1.000  3.019   3.019   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:ALA_92:HB*    -1.000  3.901   2.901   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:LYS_90:HA     -1.000  4.008   4.008   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:LYS_91:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:ALA_92:HN     1:LYS_91:HB*    -1.000  5.323   4.323   50.00   50.00   1000.00 0.00
!
1:LYS_93:HN     1:ALA_92:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:ALA_92:HB*    -1.000  4.787   3.787   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:ALA_92:HN     -1.000  4.234   4.234   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:LEU_83:HD1*   -1.000  5.251   4.251   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:LYS_93:HA     -1.000  3.801   3.801   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:LYS_93:HB*    -1.000  4.466   3.466   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:SER_56:HB1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_93:HN     1:SER_56:HB2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:THR_94:HN     1:MET_96:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:THR_94:HN     1:GLY_80:HA1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:THR_94:HN     1:PRO_79:HB2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:THR_94:HN     1:LYS_93:HA     -1.000  2.975   2.975   50.00   50.00   1000.00 0.00
1:THR_94:HN     1:LYS_93:HB*    -1.000  5.184   4.184   50.00   50.00   1000.00 0.00
1:THR_94:HN     1:THR_94:HG2*   -1.000  4.782   3.782   50.00   50.00   1000.00 0.00
!
1:GLY_95:HN     1:GLY_95:HA1    -1.000  3.077   3.077   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:GLY_95:HA2    -1.000  3.357   3.357   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:MET_96:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:LYS_54:HB2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:ILE_57:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:THR_94:HA     -1.000  3.102   3.102   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:THR_94:HB     -1.000  4.300   4.300   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:THR_94:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:GLY_95:HN     1:HEM_0C:HBC2   -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:MET_96:HN     1:GLY_95:HA1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:GLY_95:HA2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:HEM_0C:HBC2   -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:GLY_95:HN     -1.000  3.675   3.675   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:MET_96:HA     -1.000  4.396   4.396   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:MET_96:HB1    -1.000  3.817   3.817   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:MET_96:HB2    -1.000  3.734   3.734   50.00   50.00   1000.00 0.00
1:MET_96:HN     1:THR_94:HG2*   -1.000  5.276   4.276   50.00   50.00   1000.00 0.00
!
1:ALA_97:HN     1:MET_96:HB1    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:MET_96:HB2    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:ALA_97:HA     -1.000  3.097   3.097   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:ALA_97:HB*    -1.000  4.247   3.247   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:HEM_0C:HBB*   -1.000  5.849   4.849   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:HEM_0C:HAB    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:MET_96:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:MET_96:HN     -1.000  4.292   4.292   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:PHE_98:HN     -1.000  3.600   3.600   50.00   50.00   1000.00 0.00
1:ALA_97:HN     1:THR_94:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:PHE_98:HN     1:HEM_0C:HBB*   -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:MET_96:HG1    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:MET_96:HE*    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:ALA_97:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:ALA_97:HB*    -1.000  5.368   4.368   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:LYS_99:HN     -1.000  4.200   4.200   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:PHE_98:HA     -1.000  2.992   2.992   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:PHE_98:HB1    -1.000  3.646   3.646   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:PHE_98:HB2    -1.000  3.533   3.533   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:PHE_98:HD*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_98:HN     1:THR_94:HG2*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:LYS_99:HN     1:LYS_99:HA     -1.000  3.256   3.256   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:LYS_99:HB1    -1.000  4.007   4.007   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:LYS_99:HB2    -1.000  3.459   3.459   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:LYS_99:HD*    -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:LYS_99:HG*    -1.000  5.203   4.203   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:PHE_98:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_99:HN     1:PHE_98:HB2    -1.000  4.185   4.185   50.00   50.00   1000.00 0.00
!
1:LEU_100:HN    1:LYS_102:HN    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:ALA_101:HN    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LYS_77:HA     -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:ALA_101:HB*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LEU_100:HB1   -1.000  2.907   2.907   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LEU_100:HB2   -1.000  3.397   3.397   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LEU_100:HD1*  -1.000  6.872   5.872   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LEU_100:HD2*  -1.000  6.642   5.642   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LEU_100:HA    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LYS_99:HA     -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LYS_99:HB1    -1.000  3.703   3.703   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:LYS_99:HB2    -1.000  3.461   3.461   50.00   50.00   1000.00 0.00
1:LEU_100:HN    1:VAL_76:HG2*   -1.000  6.561   5.561   50.00   50.00   1000.00 0.00
!
1:ALA_101:HN    1:ALA_101:HA    -1.000  3.427   3.427   50.00   50.00   1000.00 0.00
1:ALA_101:HN    1:ALA_101:HB*   -1.000  4.386   3.386   50.00   50.00   1000.00 0.00
1:ALA_101:HN    1:LEU_100:HA    -1.000  2.749   2.749   50.00   50.00   1000.00 0.00
1:ALA_101:HN    1:LYS_102:HN    -1.000  3.417   3.417   50.00   50.00   1000.00 0.00
1:ALA_101:HN    1:LEU_100:HD1*  -1.000  6.000   4.500   50.00   50.00   1000.00 0.00
1:ALA_101:HN    1:LEU_100:HD2*  -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
!
1:LYS_102:HN    1:GLY_103:HN    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:ALA_101:HA    -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:ALA_101:HB*   -1.000  4.466   3.466   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LEU_100:HA    -1.000  4.233   4.233   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LEU_100:HD1*  -1.000  6.713   5.713   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LEU_100:HG    -1.000  3.067   3.067   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LYS_102:HA    -1.000  3.067   3.067   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LYS_102:HG*   -1.000  4.249   3.249   50.00   50.00   1000.00 0.00
1:LYS_102:HN    1:LYS_102:HB*   -1.000  4.000   3.000   50.00   50.00   1000.00 0.00
!
1:GLY_103:HN    1:GLY_103:HA1   -1.000  3.658   3.658   50.00   50.00   1000.00 0.00
1:GLY_103:HN    1:GLY_103:HA2   -1.000  3.986   3.986   50.00   50.00   1000.00 0.00
1:GLY_103:HN    1:LYS_102:HA    -1.000  2.727   2.727   50.00   50.00   1000.00 0.00
1:GLY_103:HN    1:GLU_105:HN    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:GLY_104:HN    1:GLY_103:HA1   -1.000  4.171   4.171   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:GLY_103:HA2   -1.000  5.246   5.246   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:GLY_103:HN    -1.000  3.699   3.699   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:GLY_104:HA1   -1.000  3.413   3.413   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:GLY_104:HA2   -1.000  3.445   3.445   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:LEU_100:HD1*  -1.000  5.636   4.636   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:LYS_102:HA    -1.000  3.970   3.970   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:VAL_107:HG2*  -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:VAL_76:HG2*   -1.000  6.147   5.147   50.00   50.00   1000.00 0.00
1:GLY_104:HN    1:LYS_77:HG1    -1.000  7.007   6.000   50.00   50.00   1000.00 0.00
!
1:GLU_105:HN    1:ASP_106:HN    -1.000  3.142   3.142   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLU_105:HA    -1.000  3.052   3.052   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLU_105:HB1   -1.000  4.503   3.503   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLU_105:HB2   -1.000  4.804   3.804   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLU_105:HG1   -1.000  3.903   3.903   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLU_105:HG2   -1.000  3.341   3.341   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLY_104:HA1   -1.000  3.805   3.805   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLY_104:HA2   -1.000  4.376   4.376   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:GLY_104:HN    -1.000  3.759   3.759   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:VAL_107:HN    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:GLU_105:HN    1:ALA_73:HB*    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
!
1:ASP_106:HN    1:ALA_73:HB*    -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:ASP_106:HA    -1.000  3.461   3.461   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:ASP_106:HB1   -1.000  4.748   3.748   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:ASP_106:HB2   -1.000  4.811   3.811   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:GLU_105:HA    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:GLU_105:HB1   -1.000  5.307   4.307   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:GLU_105:HB2   -1.000  5.092   4.092   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:GLU_105:HG1   -1.000  3.565   3.565   50.00   50.00   1000.00 0.00
1:ASP_106:HN    1:GLU_105:HG2   -1.000  4.484   4.484   50.00   50.00   1000.00 0.00
!
1:VAL_107:HN    1:GLY_6:HA2     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:GLY_104:HA1   -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:ASP_106:HA    -1.000  4.820   4.820   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:ASP_106:HB1   -1.000  5.643   4.643   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:ASP_106:HB2   -1.000  5.854   4.854   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:ASP_106:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:VAL_107:HA    -1.000  2.934   2.934   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:VAL_107:HB    -1.000  2.655   2.655   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:VAL_107:HG1*  -1.000  5.140   4.140   50.00   50.00   1000.00 0.00
1:VAL_107:HN    1:VAL_107:HG2*  -1.000  5.170   4.170   50.00   50.00   1000.00 0.00
!
1:ALA_108:HN    1:ALA_73:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:ALA_108:HA    -1.000  3.146   3.146   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:ALA_108:HB*   -1.000  4.027   3.027   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:ALA_109:HN    -1.000  3.062   3.062   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:ASP_106:HN    -1.000  4.339   4.339   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:GLU_105:HA    -1.000  4.738   4.738   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:TYR_110:HN    -1.000  5.083   5.083   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:VAL_107:HA    -1.000  4.769   4.769   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:VAL_107:HB    -1.000  3.263   3.263   50.00   50.00   1000.00 0.00
1:ALA_108:HN    1:VAL_107:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
!
1:ALA_109:HN    1:ALA_108:HA    -1.000  5.183   5.183   50.00   50.00   1000.00 0.00
1:ALA_109:HN    1:ASP_106:HA    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_109:HN    1:ALA_108:HB*   -1.000  4.669   3.669   50.00   50.00   1000.00 0.00
1:ALA_109:HN    1:ALA_109:HA    -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:ALA_109:HN    1:ALA_109:HB*   -1.000  3.962   2.962   50.00   50.00   1000.00 0.00
!
1:TYR_110:HN    1:GLY_6:HA2     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:ALA_109:HA    -1.000  3.660   3.660   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:ALA_109:HB*   -1.000  3.992   2.992   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:ALA_109:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:ALA_112:HN    -1.000  4.304   4.304   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:ALA_3:HA      -1.000  3.319   3.319   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:TYR_110:HA    -1.000  3.200   3.200   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:TYR_110:HB1   -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:TYR_110:HB2   -1.000  2.800   2.800   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:TYR_110:HD*   -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_110:HN    1:VAL_107:HA    -1.000  3.300   3.300   50.00   50.00   1000.00 0.00
!
1:LEU_111:HN    1:TYR_110:HD*   -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:ALA_108:HA    -1.000  3.438   3.438   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:ALA_112:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HA    -1.000  3.397   3.397   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HB1   -1.000  3.276   3.276   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HB2   -1.000  3.883   3.883   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HD1*  -1.000  5.234   4.234   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HD2*  -1.000  5.875   4.875   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:LEU_111:HG    -1.000  3.024   3.024   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:TYR_110:HB1   -1.000  4.284   4.284   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:TYR_110:HB2   -1.000  4.557   4.557   50.00   50.00   1000.00 0.00
1:LEU_111:HN    1:TYR_110:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
!
1:ALA_112:HN    1:LEU_111:HB2   -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:LEU_111:HD1*  -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:VAL_41:HG1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:ALA_109:HA    -1.000  4.084   4.084   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:ALA_112:HA    -1.000  2.896   2.896   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:ALA_112:HB*   -1.000  3.830   2.830   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:LEU_111:HA    -1.000  4.003   4.003   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:LEU_111:HB1   -1.000  3.720   3.720   50.00   50.00   1000.00 0.00
1:ALA_112:HN    1:SER_113:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
!
1:SER_113:HN    1:ALA_112:HB*   -1.000  4.221   3.221   50.00   50.00   1000.00 0.00
1:SER_113:HN    1:SER_113:HA    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:SER_113:HN    1:SER_113:HB*   -1.000  3.654   2.654   50.00   50.00   1000.00 0.00
1:SER_113:HN    1:VAL_114:HG1*  -1.000  7.085   6.085   50.00   50.00   1000.00 0.00
1:SER_113:HN    1:VAL_114:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:SER_113:HN    1:LEU_111:HN    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:VAL_114:HN    1:LEU_111:HA    -1.000  4.765   4.765   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:SER_113:HA    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:VAL_114:HA    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:VAL_114:HB    -1.000  2.979   2.979   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:VAL_114:HG1*  -1.000  4.457   3.457   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:VAL_114:HG2*  -1.000  4.030   3.030   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:VAL_115:HN    -1.000  3.050   3.050   50.00   50.00   1000.00 0.00
1:VAL_114:HN    1:ALA_112:HN    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:VAL_115:HN    1:VAL_114:HA    -1.000  3.700   3.700   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_114:HB    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_114:HG1*  -1.000  5.259   4.259   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_115:HA    -1.000  2.930   2.930   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_115:HB    -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_115:HG1*  -1.000  4.910   3.910   50.00   50.00   1000.00 0.00
1:VAL_115:HN    1:VAL_115:HG2*  -1.000  3.854   2.854   50.00   50.00   1000.00 0.00
!
1:LYS_116:HN    1:LYS_116:HA    -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:LYS_116:HB1   -1.000  4.067   3.067   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:LYS_116:HG*   -1.000  4.689   3.689   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:VAL_115:HA    -1.000  2.600   2.600   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:VAL_115:HB    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:VAL_115:HG1*  -1.000  5.358   4.358   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:VAL_115:HG2*  -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:VAL_115:HN    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:LYS_116:HN    1:TYR_38:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
!
1:LEU_37:HD1*   1:HIS_17:HD1    -1.000  4.500   3.500   50.00   50.00   1000.00 0.00
1:LEU_37:HD1*   1:HEM_0C:HHD    -1.000  4.500   3.500   50.00   50.00   1000.00 0.00
1:LEU_37:HD1*   1:HEM_0C:HHC     3.500 20.000 20.000    50.00   50.00   1000.00 0.00
1:LEU_37:HD1*   1:PHE_10:HD*    -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:LEU_37:HD1*   1:PHE_10:HE*    -1.000  6.500   3.500   50.00   50.00   1000.00 0.00
1:LEU_37:HD1*   1:PHE_10:HZ     -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
!
1:LEU_37:HD2*   1:HEM_0C:HHD    -1.000  5.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_37:HD2*   1:HEM_0C:HHC    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_37:HD2*   1:TYR_38:HN     -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:LEU_37:HD2*   1:VAL_40:HN     -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_37:HD2*   1:PHE_10:HE*    -1.000  8.500   5.500   50.00   50.00   1000.00 0.00
!
1:MET_96:HG1    1:HEM_0C:HHB    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:MET_96:HG1    1:ALA_97:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:MET_96:HG1    1:MET_96:HN     -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:MET_96:HG1    1:PHE_98:HD*    -1.000  7.500   5.500   50.00   50.00   1000.00 0.00
!
1:MET_96:HG2   1:HEM_0C:HHB    -1.000  3.500  3.5000   50.00   50.00   1000.00 0.00
1:MET_96:HG2   1:HEM_0C:HAB    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:MET_96:HG2   1:ALA_97:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:MET_96:HG2   1:MET_96:HN    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:MET_96:HG2   1:PHE_98:HD*    -1.000  7.500   5.500   50.00   50.00   1000.00 0.00
1:MET_96:HG2   1:PHE_98:HN     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
!
1:MET_96:HE*   1:HEM_0C:HHD    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:MET_96:HE*   1:MET_96:HN    -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:MET_96:HE*   1:PHE_98:HE*     -1.000  6.500   3.500   50.00   50.00   1000.00 0.00
1:MET_96:HE*   1:VAL_76:HN     -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:MET_96:HE*   1:TYR_75:HE2    -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
!
1:MET_96:HB2   1:HEM_0C:HHB    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:MET_96:HB2   1:HEM_0C:HHC    -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:MET_96:HB2   1:THR_94:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
!
1:GLY_34:HA2    1:HEM_0C:HHB    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:GLY_34:HA2    1:PHE_51:HZ     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:GLY_34:HA1    1:PHE_51:HZ     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
!
1:PHE_51:HZ     1:TYR_53:HA     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_51:HZ     1:GLY_34:HN     -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_51:HZ     1:HEM_0C:HAC1   -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_51:HZ     1:HEM_0C:HMC*   -1.000  6.000   5.000   50.00   50.00   1000.00 0.00
!
1:HEM_0C:HHC    1:TRP_67:HE1    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:TYR_53:HE1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:TYR_53:HD1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:TRP_67:HZ2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:ILE_57:HD1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:ILE_57:HG2*   -1.000  6.500   5.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:PRO_35:HG1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:PRO_35:HD1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:PRO_35:HB*    -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHC    1:PRO_35:HD2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:HEM_0C:HHB    1:MET_96:HA    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHB    1:MET_96:HN    -1.000  4.800   4.800   50.00   50.00   1000.00 0.00
1:HEM_0C:HHB    1:CYS_16:HB2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
!
1:HEM_0C:HHD    1:PHE_10:HE*    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHD    1:TYR_75:HE2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHD    1:ILE_72:HG2*   -1.000  4.000   3.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHD    1:VAL_40:HG1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHD    1:VAL_40:HG2*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHD    1:VAL_76:HG1*   -1.000  4.000   3.000   50.00   50.00   1000.00 0.00
!
1:HEM_0C:HHA    1:PHE_98:HE*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHA    1:PHE_98:HD*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHA    1:CYS_13:HA     -1.000  3.000   3.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HHA    1:HIS_17:HD2    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HHA    1:LEU_37:HD1*   -1.000  7.000   6.000   50.00   50.00   1000.00 0.00
!
1:HEM_0C:HAA    1:CYS_13:HA     -1.000  3.000   4.500   50.00   50.00   1000.00 0.00
1:HEM_0C:HAA    1:CYS_13:HN     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:HEM_0C:HAA    1:PHE_98:HE*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
!
1:PHE_65:HZ     1:TRP_67:HH2    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:PHE_82:HD*    -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:PHE_82:HE*    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:ASP_71:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:TRP_67:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:TYR_75:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:LEU_60:HG     -1.000  6.000   6.000   50.00   50.00   1000.00 0.00
1:PHE_65:HZ     1:LEU_60:HD1*   -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
!
1:PHE_65:HD*    1:PHE_82:HE*    -1.000  8.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_65:HD*    1:GLY_61:HA1    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_65:HD*    1:ALA_66:HA     -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
!
1:TRP_67:HZ2    1:ILE_57:HD1*  -1.000   4.500   3.500   50.00   50.00   1000.00 0.00
1:TRP_67:HZ2    1:HEM_0C:HMD*  -1.000   4.500   3.500   50.00   50.00   1000.00 0.00
!
1:TRP_67:HZ3    1:PHE_65:HZ    -1.000   6.000   6.000   50.00   50.00   1000.00 0.00
1:TRP_67:HZ3    1:TYR_75:HN    -1.000   4.500   4.500   50.00   50.00   1000.00 0.00
1:TRP_67:HZ3    1:PHE_82:HD*   -1.000   7.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HZ3    1:PHE_82:HE*   -1.000   7.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:PHE_82:HD*   -1.000   6.000   4.000   50.00   50.00   1000.00 0.00
1:ASP_71:HA     1:PHE_82:HD*   -1.000   7.000   5.000   50.00   50.00   1000.00 0.00
1:ASP_71:HA     1:PHE_82:HE*   -1.000   7.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_82:HB2    1:PHE_82:HD*   -1.000   6.500   4.500   50.00   50.00   1000.00 0.00
1:LEU_60:HD1*   1:PHE_82:HD*   -1.000   7.000   4.000   50.00   50.00   1000.00 0.00
1:LEU_60:HD2*   1:PHE_82:HD*   -1.000   8.000   5.000   50.00   50.00   1000.00 0.00
!
1:TYR_110:HE*   1:GLU_7:HA      -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_110:HE*   1:ILE_19:HD1*   -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_110:HD*   1:ILE_19:HD1*   -1.000  8.500   5.500   50.00   50.00   1000.00 0.00
1:TYR_110:HE*   1:VAL_114:HG1*  -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_110:HD*   1:VAL_114:HG1*  -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_110:HD*   1:VAL_114:HB    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
!
1:TYR_48:HD*    1:PRO_49:HA     -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:TYR_48:HB1    -1.000  5.500   3.500   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:TYR_48:HB2    -1.000  5.500   3.500   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:PHE_51:HB*    -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:TYR_38:HD*    -1.000  8.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:TYR_38:HE*    -1.000  10.000  6.000   50.00   50.00   1000.00 0.00
1:TYR_48:HD*    1:PRO_35:HB*    -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
!
1:TYR_48:HE*    1:ASN_36:HB1    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_48:HE*    1:ARG_43:HB1    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_48:HE*    1:PRO_49:HD1    -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_48:HE*    1:TYR_38:HD*    -1.000  8.000   4.000   50.00   50.00   1000.00 0.00

1:TYR_38:HD*    1:LYS_116:HE*   -1.000  7.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:LYS_116:HE*   -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HD*    1:PRO_22:HD1    -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:PRO_22:HD1    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:ILE_19:HG2*   -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:ALA_21:HB*    -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:ILE_19:HG12   -1.000  8.000   6.000   50.00   50.00   1000.00 0.00
1:TYR_38:HD*    1:ILE_19:HG12   -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_38:HD*    1:VAL_114:HG2*  -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:VAL_114:HG2*  -1.000  7.000   4.000   50.00   50.00   1000.00 0.00
1:TYR_38:HD*    1:VAL_114:HG1*  -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:VAL_114:HG1*  -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:VAL_115:HG1*  -1.000  7.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_38:HE*    1:VAL_115:HA    -1.000  5.500   3.500   50.00   50.00   1000.00 0.00
!
1:PHE_10:HE*    1:ILE_19:HG11   -1.000  6.500   4.500   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:ILE_19:HD1*   -1.000  6.500   3.500   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:VAL_114:HG1*  -1.000  8.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:LEU_111:HD2*  -1.000  6.500   3.500   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:LEU_111:HD1*  -1.000  6.000   3.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:CYS_13:HB1    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:VAL_28:HG2*   -1.000  5.600   2.600   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:LYS_14:HB2    -1.000  7.000   5.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:LYS_14:HB1    -1.000  5.000   3.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:PHE_10:HB2    -1.000  6.000   4.000   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:PHE_10:HA     -1.000  7.500   5.500   50.00   50.00   1000.00 0.00
1:PHE_10:HE*    1:HEM_0C:HMA*   -1.000  6.000   3.000   50.00   50.00   1000.00 0.00
!
1:TRP_67:HH2    1:LEU_60:HD1*   -1.000   6.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:LEU_83:HD2*   -1.000   6.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:TYR_75:HB2    -1.000  4.000   4.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:TYR_75:HB1    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:TYR_75:HD2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:TYR_75:HE1    -1.000  5.500   5.500   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:ILE_57:HD1*   -1.000   5.500   5.500   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:PHE_82:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TRP_67:HH2    1:HEM_0C:HMD*  -1.000  5.500   4.500   50.00   50.00   1000.00 0.00
!
1:TYR_75:HD1    1:TYR_75:HB2    -1.000  5.000   5.000   50.00   50.00   1000.00 0.00
1:TYR_75:HD1    1:TYR_75:HB1    -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_75:HD1    1:TYR_75:HA     -1.000  4.500   4.500   50.00   50.00   1000.00 0.00
1:TYR_75:HD1    1:PHE_82:HB2    -1.000  3.500   3.500   50.00   50.00   1000.00 0.00



  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -8.407 -11.511 -11.511
    2   2H    GLY   1          2H        GLY   1  -7.951 -10.027 -10.027
    3   1HA   GLY   1          1HA       GLY   1  -7.760 -12.642 -12.642
    4   2HA   GLY   1          2HA       GLY   1  -7.249 -11.097 -11.097
    5    H    ASP   2           HN       ASP   2  -9.000 -12.625 -12.625
    6    HA   ASP   2           HA       ASP   2 -11.772 -12.045 -12.045
    7   1HB   ASP   2          1HB       ASP   2 -11.000 -14.117 -14.117
    8   2HB   ASP   2          2HB       ASP   2 -10.602 -13.173 -13.173
    9    H    ALA   3           H        ALA   3 -11.574  -9.753  -9.753
   10    HA   ALA   3           HA       ALA   3 -10.903  -7.890  -7.890
   11   1HB   ALA   3          1HB       ALA   3 -11.705  -7.344  -7.344
   12   2HB   ALA   3          2HB       ALA   3 -13.358  -7.830  -7.830
   13   3HB   ALA   3          3HB       ALA   3 -12.609  -6.414  -6.414
   14    H    ALA   4           H        ALA   4 -13.842  -9.925  -9.925
   15    HA   ALA   4           HA       ALA   4 -15.146  -8.370  -8.370
   16   1HB   ALA   4          1HB       ALA   4 -16.385  -9.942  -9.942
   17   2HB   ALA   4          2HB       ALA   4 -15.508 -11.311 -11.311
   18   3HB   ALA   4          3HB       ALA   4 -16.578 -10.320 -10.320
   19    H    LYS   5           HN       LYS   5 -13.087 -11.343 -11.343
   20    HA   LYS   5           HA       LYS   5 -12.980 -11.544 -11.544
   21   1HB   LYS   5          1HB       LYS   5 -11.005 -12.428 -12.428
   22   2HB   LYS   5          2HB       LYS   5 -10.795 -12.690 -12.690
   23   1HG   LYS   5          1HG       LYS   5 -12.815 -14.004 -14.004
   24   2HG   LYS   5          2HG       LYS   5 -13.221 -13.681 -13.681
   25   1HD   LYS   5          2HD       LYS   5 -12.304 -15.927 -15.927
   26   2HD   LYS   5          1HD       LYS   5 -11.292 -14.989 -14.989
   27   1HE   LYS   5          1HE       LYS   5 -10.620 -15.178 -15.178
   28   2HE   LYS   5          2HE       LYS   5 -10.187 -16.476 -16.476
   29   1HZ   LYS   5          1HZ       LYS   5  -8.952 -14.938 -14.938
   30   2HZ   LYS   5          2HZ       LYS   5  -9.315 -13.693 -13.693
   31   3HZ   LYS   5          3HZ       LYS   5  -8.407 -14.947 -14.947
   32    H    GLY   6           H        GLY   6 -10.999  -9.786  -9.786
   33   1HA   GLY   6          1HA       GLY   6  -9.067  -8.669  -8.669
   34   2HA   GLY   6          2HA       GLY   6  -9.718  -7.895  -7.895
   35    H    GLU   7           HN       GLU   7 -12.324  -7.337  -7.337
   36    HA   GLU   7           HA       GLU   7 -12.191  -5.047  -5.047
   37   1HB   GLU   7          1HB       GLU   7 -13.951  -5.505  -5.505
   38   2HB   GLU   7          2HB       GLU   7 -14.667  -6.724  -6.724
   39   1HG   GLU   7          2HG       GLU   7 -15.327  -5.131  -5.131
   40   2HG   GLU   7          1HG       GLU   7 -14.227  -3.898  -3.898
   41    H    LYS   8           HN       LYS   8 -13.411  -8.323  -8.323
   42    HA   LYS   8           HA       LYS   8 -14.129  -7.666  -7.666
   43   1HB   LYS   8          2HB       LYS   8 -13.248 -10.322 -10.322
   44   2HB   LYS   8          1HB       LYS   8 -13.990 -10.118 -10.118
   45   1HG   LYS   8          2HG       LYS   8 -16.021  -9.188  -9.188
   46   2HG   LYS   8          1HG       LYS   8 -15.310  -9.306  -9.306
   47   1HD   LYS   8          2HD       LYS   8 -15.045 -11.790 -11.790
   48   2HD   LYS   8          1HD       LYS   8 -15.946 -11.640 -11.640
   49   1HE   LYS   8          1HE       LYS   8 -16.960 -10.907 -10.907
   50   2HE   LYS   8          2HE       LYS   8 -17.395 -12.361 -12.361
   51   1HZ   LYS   8          2HZ       LYS   8 -18.364 -10.945 -10.945
   52   2HZ   LYS   8          3HZ       LYS   8 -17.989  -9.598  -9.598
   53   3HZ   LYS   8          1HZ       LYS   8 -19.062 -10.694 -10.694
   54    H    GLU   9           HN       GLU   9 -11.163  -9.070  -9.070
   55    HA   GLU   9           HA       GLU   9  -9.645  -9.363  -9.363
   56   1HB   GLU   9          2HB       GLU   9  -9.231 -10.289 -10.289
   57   2HB   GLU   9          1HB       GLU   9  -8.624  -8.687  -8.687
   58   1HG   GLU   9          1HG       GLU   9  -6.702  -9.868  -9.868
   59   2HG   GLU   9          2HG       GLU   9  -6.962  -9.057  -9.057
   60    H    PHE  10           H        PHE  10 -10.183  -6.551  -6.551
   61    HA   PHE  10           HA       PHE  10  -8.272  -4.835  -4.835
   62   1HB   PHE  10          1HB       PHE  10 -10.170  -4.532  -4.532
   63   2HB   PHE  10          2HB       PHE  10 -11.045  -3.764  -3.764
   64    HD1  PHE  10           HD1      PHE  10  -8.006  -3.646  -3.646
   65    HD2  PHE  10           HD2      PHE  10 -10.252  -1.606  -1.606
   66    HE1  PHE  10           HE1      PHE  10  -6.547  -1.662  -1.662
   67    HE2  PHE  10           HE2      PHE  10  -8.783   0.394   0.394
   68    HZ   PHE  10           HZ       PHE  10  -7.010   0.406   0.406
   69    H    ASN  11           H        ASN  11 -10.953  -6.090  -6.090
   70    HA   ASN  11           HA       ASN  11 -11.276  -4.122  -4.122
   71   1HB   ASN  11          2HB       ASN  11 -12.110  -5.722  -5.722
   72   2HB   ASN  11          1HB       ASN  11 -12.496  -6.381  -6.381
   73   1HD2  ASN  11          2HD2      ASN  11 -10.310  -9.225  -9.225
   74   2HD2  ASN  11          1HD2      ASN  11 -11.181  -8.247  -8.247
   75    H    LYS  12           HN       LYS  12  -8.555  -6.360  -6.360
   76    HA   LYS  12           HA       LYS  12  -7.209  -5.613  -5.613
   77   1HB   LYS  12          1HB       LYS  12  -6.313  -7.184  -7.184
   78   2HB   LYS  12          2HB       LYS  12  -5.325  -6.914  -6.914
   79   1HG   LYS  12          1HG       LYS  12  -7.067  -7.945  -7.945
   80   2HG   LYS  12          2HG       LYS  12  -8.069  -8.264  -8.264
   81   1HD   LYS  12          1HD       LYS  12  -5.270  -9.411  -9.411
   82   2HD   LYS  12          2HD       LYS  12  -6.783 -10.233 -10.233
   83   1HE   LYS  12          2HE       LYS  12  -7.510 -10.015 -10.015
   84   2HE   LYS  12          1HE       LYS  12  -5.891  -9.406  -9.406
   85   1HZ   LYS  12          3HZ       LYS  12  -5.003 -11.467 -11.467
   86   2HZ   LYS  12          2HZ       LYS  12  -6.523 -12.026 -12.026
   87   3HZ   LYS  12          1HZ       LYS  12  -6.057 -11.731 -11.731
   88    H    CYS  13           H        CYS  13  -6.777  -4.925  -4.925
   89    HA   CYS  13           HA       CYS  13  -4.558  -3.354  -3.354
   90   1HB   CYS  13          1HB       CYS  13  -7.087  -2.893  -2.893
   91   2HB   CYS  13          2HB       CYS  13  -5.523  -2.116  -2.116
   92    H    LYS  14           HN       LYS  14  -7.942  -2.289  -2.289
   93    HA   LYS  14           HA       LYS  14  -7.391   0.423   0.423
   94   1HB   LYS  14          2HB       LYS  14  -9.617   0.747   0.747
   95   2HB   LYS  14          1HB       LYS  14  -9.584  -0.489  -0.489
   96   1HG   LYS  14          2HG       LYS  14  -9.917  -2.233  -2.233
   97   2HG   LYS  14          1HG       LYS  14  -9.830  -1.109  -1.109
   98   1HD   LYS  14          1HD       LYS  14 -11.978  -1.090  -1.090
   99   2HD   LYS  14          2HD       LYS  14 -12.146  -1.763  -1.763
  100   1HE   LYS  14          1HE       LYS  14 -11.624   0.526   0.526
  101   2HE   LYS  14          2HE       LYS  14 -11.698   1.173   1.173
  102   1HZ   LYS  14          3HZ       LYS  14 -13.942   0.429   0.429
  103   2HZ   LYS  14          2HZ       LYS  14 -13.889  -0.143  -0.143
  104   3HZ   LYS  14          1HZ       LYS  14 -13.716   1.472   1.472
  105    H    THR  15           H        THR  15  -6.600  -1.954  -1.954
  106    HA   THR  15           HA       THR  15  -7.095  -0.598  -0.598
  107    HB   THR  15           HB       THR  15  -4.734  -2.396  -2.396
  108    HG1  THR  15           HG1      THR  15  -6.596  -3.484  -3.484
  109   1HG2  THR  15          2HG2      THR  15  -6.078  -1.761  -1.761
  110   2HG2  THR  15          3HG2      THR  15  -4.827  -2.993  -2.993
  111   3HG2  THR  15          1HG2      THR  15  -4.435  -1.281  -1.281
  112    H    CYS  16           H        CYS  16  -4.667  -0.191  -0.191
  113    HA   CYS  16           HA       CYS  16  -3.527   2.174   2.174
  114   1HB   CYS  16          1HB       CYS  16  -2.280   0.277   0.277
  115   2HB   CYS  16          2HB       CYS  16  -1.612   1.864   1.864
  116    H    HIS  17           HN       HIS  17  -4.739   0.851   0.851
  117    HA   HIS  17           HA       HIS  17  -4.372   3.479   3.479
  118   1HB   HIS  17          2HB       HIS  17  -5.217   0.755   0.755
  119   2HB   HIS  17          1HB       HIS  17  -4.861   2.156   2.156
  120    HD1  HIS  17           HD1      HIS  17  -2.470   3.108   3.108
  121    HD2  HIS  17           HD2      HIS  17  -2.755  -0.639  -0.639
  122    HE1  HIS  17           HE1      HIS  17  -0.184   2.070   2.070
  123    H    SER  18           H        SER  18  -6.135   3.605   3.605
  124    HA   SER  18           HA       SER  18  -8.890   3.119   3.119
  125   1HB   SER  18          1HB       SER  18  -7.683   5.922   5.922
  126   2HB   SER  18          2HB       SER  18  -9.390   5.647   5.647
  127    HG   SER  18           HG       SER  18  -8.009   4.786   4.786
  128    H    ILE  19           H        ILE  19 -10.203   4.316   4.316
  129    HA   ILE  19           HA       ILE  19  -8.834   4.515   4.515
  130    HB   ILE  19           HB       ILE  19 -10.854   2.444   2.444
  131   1HG1  ILE  19          1HG1      ILE  19  -8.993   2.415   2.415
  132   2HG1  ILE  19          2HG1      ILE  19  -8.373   2.155   2.155
  133   1HG2  ILE  19          2HG2      ILE  19 -11.031   3.839   3.839
  134   2HG2  ILE  19          3HG2      ILE  19 -11.809   2.305   2.305
  135   3HG2  ILE  19          1HG2      ILE  19 -12.282   3.772   3.772
  136   1HD1  ILE  19          3HD1      ILE  19  -9.995   0.282   0.282
  137   2HD1  ILE  19          2HD1      ILE  19 -10.532   0.475   0.475
  138   3HD1  ILE  19          1HD1      ILE  19  -8.863   0.000   0.000
  139    H    ILE  20           H        ILE  20  -9.773   6.167   6.167
  140    HA   ILE  20           HA       ILE  20 -11.771   7.836   7.836
  141    HB   ILE  20           HB       ILE  20  -9.159   8.459   8.459
  142   1HG1  ILE  20          1HG1      ILE  20  -9.894  10.953  10.953
  143   2HG1  ILE  20          2HG1      ILE  20 -11.526  10.272  10.272
  144   1HG2  ILE  20          2HG2      ILE  20  -8.855   8.192   8.192
  145   2HG2  ILE  20          3HG2      ILE  20  -9.890   9.614   9.614
  146   3HG2  ILE  20          1HG2      ILE  20  -8.373   9.765   9.765
  147   1HD1  ILE  20          1HD1      ILE  20 -11.057   9.177   9.177
  148   2HD1  ILE  20          3HD1      ILE  20  -9.488   9.994   9.994
  149   3HD1  ILE  20          2HD1      ILE  20 -10.978  10.955  10.955
  150    H    ALA  21           H        ALA  21 -13.305   8.857   8.857
  151    HA   ALA  21           HA       ALA  21 -13.562   7.693   7.693
  152   1HB   ALA  21          3HB       ALA  21 -15.537   8.321   8.321
  153   2HB   ALA  21          1HB       ALA  21 -15.051  10.020  10.020
  154   3HB   ALA  21          2HB       ALA  21 -15.548   9.115   9.115
  155    HA   PRO  22           HA       PRO  22 -11.253  10.767  10.767
  156   1HB   PRO  22          2HB       PRO  22 -13.850  11.302  11.302
  157   2HB   PRO  22          1HB       PRO  22 -12.200  11.143  11.143
  158   1HG   PRO  22          2HG       PRO  22 -13.888   9.025   9.025
  159   2HG   PRO  22          1HG       PRO  22 -12.200   8.791   8.791
  160   1HD   PRO  22          2HD       PRO  22 -14.665   8.971   8.971
  161   2HD   PRO  22          1HD       PRO  22 -13.265   7.862   7.862
  162    H    ASP  23           HN       ASP  23 -14.551  11.757  11.757
  163    HA   ASP  23           HA       ASP  23 -14.052  14.593  14.593
  164   1HB   ASP  23          1HB       ASP  23 -16.334  14.625  14.625
  165   2HB   ASP  23          2HB       ASP  23 -16.261  13.713  13.713
  166    H    GLY  24           H        GLY  24 -13.080  12.186  12.186
  167   1HA   GLY  24          1HA       GLY  24 -11.791  12.759  12.759
  168   2HA   GLY  24          2HA       GLY  24 -12.759  14.198  14.198
  169    H    THR  25           H        THR  25 -15.232  12.132  12.132
  170    HA   THR  25           HA       THR  25 -15.837  11.841  11.841
  171    HB   THR  25           HB       THR  25 -16.901  10.190  10.190
  172    HG1  THR  25           HG1      THR  25 -17.289  12.368  12.368
  173   1HG2  THR  25          1HG2      THR  25 -18.043  10.707  10.707
  174   2HG2  THR  25          2HG2      THR  25 -18.891   9.908   9.908
  175   3HG2  THR  25          3HG2      THR  25 -17.475   9.135   9.135
  176    H    GLU  26           HN       GLU  26 -15.102  10.560  10.560
  177    HA   GLU  26           HA       GLU  26 -13.131   8.543   8.543
  178   1HB   GLU  26          2HB       GLU  26 -14.734   9.110   9.110
  179   2HB   GLU  26          1HB       GLU  26 -13.178   8.278   8.278
  180   1HG   GLU  26          1HG       GLU  26 -12.241  10.451  10.451
  181   2HG   GLU  26          2HG       GLU  26 -13.762  11.236  11.236
  182    H    ILE  27           H        ILE  27 -14.279   7.134   7.134
  183    HA   ILE  27           HA       ILE  27 -16.583   5.647   5.647
  184    HB   ILE  27           HB       ILE  27 -14.193   4.731   4.731
  185   1HG1  ILE  27          2HG1      ILE  27 -14.982   6.756   6.756
  186   2HG1  ILE  27          1HG1      ILE  27 -15.516   5.425   5.425
  187   1HG2  ILE  27          3HG2      ILE  27 -17.040   3.661   3.661
  188   2HG2  ILE  27          2HG2      ILE  27 -15.858   3.240   3.240
  189   3HG2  ILE  27          1HG2      ILE  27 -15.549   2.806   2.806
  190   1HD1  ILE  27          1HD1      ILE  27 -17.801   5.576   5.576
  191   2HD1  ILE  27          3HD1      ILE  27 -17.230   7.034   7.034
  192   3HD1  ILE  27          2HD1      ILE  27 -17.333   7.009   7.009
  193    H    VAL  28           H        VAL  28 -13.126   4.614   4.614
  194    HA   VAL  28           HA       VAL  28 -14.182   2.590   2.590
  195    HB   VAL  28           HB       VAL  28 -11.448   2.781   2.781
  196   1HG1  VAL  28          3HG1      VAL  28 -12.638   0.846   0.846
  197   2HG1  VAL  28          2HG1      VAL  28 -11.117   0.592   0.592
  198   3HG1  VAL  28          1HG1      VAL  28 -11.260   1.942   1.942
  199   1HG2  VAL  28          1HG2      VAL  28 -13.728   0.774   0.774
  200   2HG2  VAL  28          2HG2      VAL  28 -13.190   1.922   1.922
  201   3HG2  VAL  28          3HG2      VAL  28 -12.113   0.613   0.613
  202    H    LYS  29           HN       LYS  29 -14.648   3.824   3.824
  203    HA   LYS  29           HA       LYS  29 -12.971   5.970   5.970
  204   1HB   LYS  29          1HB       LYS  29 -15.277   4.472   4.472
  205   2HB   LYS  29          2HB       LYS  29 -14.560   6.005   6.005
  206   1HG   LYS  29          1HG       LYS  29 -15.187   7.006   7.006
  207   2HG   LYS  29          2HG       LYS  29 -16.032   5.505   5.505
  208   1HD   LYS  29          2HD       LYS  29 -17.397   5.803   5.803
  209   2HD   LYS  29          1HD       LYS  29 -16.687   7.421   7.421
  210   1HE   LYS  29          2HE       LYS  29 -18.390   6.338   6.338
  211   2HE   LYS  29          1HE       LYS  29 -18.878   7.547   7.547
  212   1HZ   LYS  29          1HZ       LYS  29 -17.141   8.976   8.976
  213   2HZ   LYS  29          2HZ       LYS  29 -16.785   7.847   7.847
  214   3HZ   LYS  29          3HZ       LYS  29 -18.260   8.577   8.577
  215    H    GLY  30           H        GLY  30 -11.008   4.520   4.520
  216   1HA   GLY  30          1HA       GLY  30 -10.608   2.703   2.703
  217   2HA   GLY  30          2HA       GLY  30  -9.637   2.819   2.819
  218    H    ALA  31           H        ALA  31  -7.837   2.958   2.958
  219    HA   ALA  31           HA       ALA  31  -7.559   5.547   5.547
  220   1HB   ALA  31          1HB       ALA  31  -6.755   3.440   3.440
  221   2HB   ALA  31          3HB       ALA  31  -5.635   3.232   3.232
  222   3HB   ALA  31          2HB       ALA  31  -5.447   4.609   4.609
  223    H    LYS  32           HN       LYS  32  -5.201   6.509   6.509
  224    HA   LYS  32           HA       LYS  32  -4.551   6.521   6.521
  225   1HB   LYS  32          2HB       LYS  32  -4.887   9.053   9.053
  226   2HB   LYS  32          1HB       LYS  32  -4.388   8.931   8.931
  227   1HG   LYS  32          1HG       LYS  32  -6.605   7.751   7.751
  228   2HG   LYS  32          2HG       LYS  32  -7.101   8.199   8.199
  229   1HD   LYS  32          2HD       LYS  32  -6.620  10.621  10.621
  230   2HD   LYS  32          1HD       LYS  32  -6.405  10.084  10.084
  231   1HE   LYS  32          1HE       LYS  32  -8.923   9.805   9.805
  232   2HE   LYS  32          2HE       LYS  32  -8.701  10.898  10.898
  233   1HZ   LYS  32          2HZ       LYS  32  -8.490   8.962   8.962
  234   2HZ   LYS  32          1HZ       LYS  32  -8.735   7.960   7.960
  235   3HZ   LYS  32          3HZ       LYS  32  -9.930   8.987   8.987
  236    H    THR  33           H        THR  33  -3.461   5.058   5.058
  237    HA   THR  33           HA       THR  33  -1.055   6.332   6.332
  238    HB   THR  33           HB       THR  33  -1.541   3.364   3.364
  239    HG1  THR  33           HG1      THR  33  -2.854   3.553   3.553
  240   1HG2  THR  33          1HG2      THR  33   0.561   4.206   4.206
  241   2HG2  THR  33          2HG2      THR  33  -0.392   5.147   5.147
  242   3HG2  THR  33          3HG2      THR  33  -0.456   3.372   3.372
  243    H    GLY  34           H        GLY  34  -2.129   4.317   4.317
  244   1HA   GLY  34          1HA       GLY  34   0.616   4.487   4.487
  245   2HA   GLY  34          2HA       GLY  34  -0.552   3.194   3.194
  246    HA   PRO  35           HA       PRO  35  -1.108   7.139   7.139
  247   1HB   PRO  35          2HB       PRO  35  -0.254   6.083   6.083
  248   2HB   PRO  35          1HB       PRO  35   0.831   6.901   6.901
  249   1HG   PRO  35          2HG       PRO  35   0.291   3.919   3.919
  250   2HG   PRO  35          1HG       PRO  35   1.885   4.722   4.722
  251   1HD   PRO  35          1HD       PRO  35   0.992   3.742   3.742
  252   2HD   PRO  35          2HD       PRO  35   1.645   5.391   5.391
  253    H    ASN  36           H        ASN  36  -3.213   7.283   7.283
  254    HA   ASN  36           HA       ASN  36  -5.075   5.236   5.236
  255   1HB   ASN  36          1HB       ASN  36  -5.559   7.628   7.628
  256   2HB   ASN  36          2HB       ASN  36  -5.066   7.909   7.909
  257   1HD2  ASN  36          2HD2      ASN  36  -8.111   6.848   6.848
  258   2HD2  ASN  36          1HD2      ASN  36  -6.427   7.187   7.187
  259    H    LEU  37           H        LEU  37  -5.255   3.566   3.566
  260    HA   LEU  37           HA       LEU  37  -3.398   3.280   3.280
  261   1HB   LEU  37          2HB       LEU  37  -5.545   1.393   1.393
  262   2HB   LEU  37          1HB       LEU  37  -4.287   0.971   0.971
  263    HG   LEU  37           HG       LEU  37  -3.718   1.907   1.907
  264   1HD1  LEU  37          3HD1      LEU  37  -3.733  -0.897  -0.897
  265   2HD1  LEU  37          1HD1      LEU  37  -3.125  -0.477  -0.477
  266   3HD1  LEU  37          2HD1      LEU  37  -4.834  -0.272  -0.272
  267   1HD2  LEU  37          3HD2      LEU  37  -1.907   0.676   0.676
  268   2HD2  LEU  37          2HD2      LEU  37  -1.799   2.342   2.342
  269   3HD2  LEU  37          1HD2      LEU  37  -1.453   0.968   0.968
  270    H    TYR  38           H        TYR  38  -6.616   4.485   4.485
  271    HA   TYR  38           HA       TYR  38  -7.477   3.382   3.382
  272   1HB   TYR  38          1HB       TYR  38  -9.004   4.721   4.721
  273   2HB   TYR  38          2HB       TYR  38  -7.891   6.092   6.092
  274    HD1  TYR  38           HD1      TYR  38  -7.537   7.526   7.526
  275    HD2  TYR  38           HD2      TYR  38 -10.527   4.425   4.425
  276    HE1  TYR  38           HE1      TYR  38  -8.303   8.258   8.258
  277    HE2  TYR  38           HE2      TYR  38 -11.411   5.278   5.278
  278    HH   TYR  38           HH       TYR  38 -11.098   6.824   6.824
  279    H    GLY  39           H        GLY  39  -6.434   3.437   3.437
  280   1HA   GLY  39          1HA       GLY  39  -5.410   4.409   4.409
  281   2HA   GLY  39          2HA       GLY  39  -5.134   5.900   5.900
  282    H    VAL  40           H        VAL  40  -3.989   3.119   3.119
  283    HA   VAL  40           HA       VAL  40  -1.252   3.807   3.807
  284    HB   VAL  40           HB       VAL  40  -2.769   1.638   1.638
  285   1HG1  VAL  40          3HG2      VAL  40   0.034   0.980   0.980
  286   2HG1  VAL  40          2HG2      VAL  40  -0.887   0.118   0.118
  287   3HG1  VAL  40          1HG2      VAL  40  -1.482   0.129   0.129
  288   1HG2  VAL  40          3HG1      VAL  40  -1.716   3.555   3.555
  289   2HG2  VAL  40          1HG1      VAL  40  -1.044   2.002   2.002
  290   3HG2  VAL  40          2HG1      VAL  40  -0.118   3.018   3.018
  291    H    VAL  41           H        VAL  41  -3.305   1.472   1.472
  292    HA   VAL  41           HA       VAL  41  -1.301   0.115   0.115
  293    HB   VAL  41           HB       VAL  41  -4.158   0.756   0.756
  294   1HG1  VAL  41          2HG1      VAL  41  -2.200  -1.317  -1.317
  295   2HG1  VAL  41          1HG1      VAL  41  -3.936  -1.254  -1.254
  296   3HG1  VAL  41          3HG1      VAL  41  -2.880   0.063   0.063
  297   1HG2  VAL  41          3HG2      VAL  41  -3.958  -0.534  -0.534
  298   2HG2  VAL  41          1HG2      VAL  41  -4.630  -1.520  -1.520
  299   3HG2  VAL  41          2HG2      VAL  41  -2.939  -1.723  -1.723
  300    H    GLY  42           H        GLY  42   0.197   0.805   0.805
  301   1HA   GLY  42          1HA       GLY  42   1.061   1.763   1.763
  302   2HA   GLY  42          2HA       GLY  42  -0.385   2.757   2.757
  303    H    ARG  43           HN       ARG  43   0.208   3.386   3.386
  304    HA   ARG  43           HA       ARG  43   1.407   5.927   5.927
  305   1HB   ARG  43          1HB       ARG  43  -0.313   5.539   5.539
  306   2HB   ARG  43          2HB       ARG  43   0.972   4.769   4.769
  307   1HG   ARG  43          1HG       ARG  43   2.271   6.883   6.883
  308   2HG   ARG  43          2HG       ARG  43   1.076   7.594   7.594
  309   1HD   ARG  43          1HD       ARG  43  -0.654   7.182   7.182
  310   2HD   ARG  43          2HD       ARG  43   0.729   6.769   6.769
  311    HE   ARG  43           HE       ARG  43   1.337   8.975   8.975
  312   1HH1  ARG  43          1HH1      ARG  43  -1.033   8.634   8.634
  313   2HH1  ARG  43          2HH1      ARG  43  -1.148  10.342  10.342
  314   1HH2  ARG  43          2HH2      ARG  43   1.267  11.223  11.223
  315   2HH2  ARG  43          1HH2      ARG  43   0.194  11.828  11.828
  316    H    THR  44           H        THR  44   3.470   6.703   6.703
  317    HA   THR  44           HA       THR  44   5.621   4.846   4.846
  318    HB   THR  44           HB       THR  44   5.664   7.865   7.865
  319    HG1  THR  44           HG1      THR  44   5.695   6.221   6.221
  320   1HG2  THR  44          3HG2      THR  44   7.774   5.815   5.815
  321   2HG2  THR  44          1HG2      THR  44   7.940   7.572   7.572
  322   3HG2  THR  44          2HG2      THR  44   7.804   6.905   6.905
  323    H    ALA  45           H        ALA  45   4.441   3.973   3.973
  324    HA   ALA  45           HA       ALA  45   4.110   3.873   3.873
  325   1HB   ALA  45          1HB       ALA  45   6.069   2.563   2.563
  326   2HB   ALA  45          3HB       ALA  45   7.131   3.927   3.927
  327   3HB   ALA  45          2HB       ALA  45   6.195   3.101   3.101
  328    H    GLY  46           H        GLY  46   6.631   5.029   5.029
  329   1HA   GLY  46          1HA       GLY  46   5.464   6.780   6.780
  330   2HA   GLY  46          2HA       GLY  46   7.169   6.827   6.827
  331    H    THR  47           H        THR  47   4.064   8.032   8.032
  332    HA   THR  47           HA       THR  47   5.089  10.787  10.787
  333    HB   THR  47           HB       THR  47   6.053   9.864   9.864
  334    HG1  THR  47           HG1      THR  47   4.070  11.862  11.862
  335   1HG2  THR  47          1HG2      THR  47   4.196   8.272   8.272
  336   2HG2  THR  47          2HG2      THR  47   3.175   9.665   9.665
  337   3HG2  THR  47          3HG2      THR  47   4.656   9.363   9.363
  338    H    TYR  48           H        TYR  48   2.596   8.951   8.951
  339    HA   TYR  48           HA       TYR  48   0.331  10.238  10.238
  340   1HB   TYR  48          1HB       TYR  48   0.565   8.004   8.004
  341   2HB   TYR  48          2HB       TYR  48   0.345   9.016   9.016
  342    HD1  TYR  48           HD1      TYR  48  -1.080   7.544   7.544
  343    HD2  TYR  48           HD2      TYR  48  -1.950  10.048  10.048
  344    HE1  TYR  48           HE1      TYR  48  -3.456   7.164   7.164
  345    HE2  TYR  48           HE2      TYR  48  -4.376   9.673   9.673
  346    HH   TYR  48           HH       TYR  48  -5.516   7.304   7.304
  347    HA   PRO  49           HA       PRO  49   0.922  14.085  14.085
  348   1HB   PRO  49          1HB       PRO  49  -1.569  15.228  15.228
  349   2HB   PRO  49          2HB       PRO  49  -0.512  15.062  15.062
  350   1HG   PRO  49          2HG       PRO  49  -2.738  13.189  13.189
  351   2HG   PRO  49          1HG       PRO  49  -2.496  13.919  13.919
  352   1HD   PRO  49          2HD       PRO  49  -1.634  11.417  11.417
  353   2HD   PRO  49          1HD       PRO  49  -0.605  12.519  12.519
  354    H    GLU  50           HN       GLU  50   0.398  15.154  15.154
  355    HA   GLU  50           HA       GLU  50   0.188  15.137  15.137
  356   1HB   GLU  50          2HB       GLU  50  -2.601  14.199  14.199
  357   2HB   GLU  50          1HB       GLU  50  -2.144  14.966  14.966
  358   1HG   GLU  50          2HG       GLU  50  -1.428  17.010  17.010
  359   2HG   GLU  50          1HG       GLU  50  -1.947  16.266  16.266
  360    H    PHE  51           H        PHE  51   1.737  13.040  13.040
  361    HA   PHE  51           HA       PHE  51   0.819  11.334  11.334
  362   1HB   PHE  51          1HB       PHE  51  -0.109  10.166  10.166
  363   2HB   PHE  51          2HB       PHE  51   1.521  10.048  10.048
  364    HD1  PHE  51           HD1      PHE  51  -0.662   9.081   9.081
  365    HD2  PHE  51           HD2      PHE  51   3.157   8.543   8.543
  366    HE1  PHE  51           HE1      PHE  51   0.026   7.565   7.565
  367    HE2  PHE  51           HE2      PHE  51   3.841   6.983   6.983
  368    HZ   PHE  51           HZ       PHE  51   2.286   6.511   6.511
  369    H    LYS  52           HN       LYS  52   2.435  11.226  11.226
  370    HA   LYS  52           HA       LYS  52   5.099  12.096  12.096
  371   1HB   LYS  52          1HB       LYS  52   3.911  12.513  12.513
  372   2HB   LYS  52          2HB       LYS  52   4.088  10.793  10.793
  373   1HG   LYS  52          2HG       LYS  52   6.677  11.243  11.243
  374   2HG   LYS  52          1HG       LYS  52   6.229  12.938  12.938
  375   1HD   LYS  52          2HD       LYS  52   7.060  12.147  12.147
  376   2HD   LYS  52          1HD       LYS  52   5.370  12.640  12.640
  377   1HE   LYS  52          2HE       LYS  52   6.013  10.503  10.503
  378   2HE   LYS  52          1HE       LYS  52   4.619  10.352  10.352
  379   1HZ   LYS  52          1HZ       LYS  52   7.362   9.552   9.552
  380   2HZ   LYS  52          3HZ       LYS  52   6.147   8.533   8.533
  381   3HZ   LYS  52          2HZ       LYS  52   6.032   9.371   9.371
  382    H    TYR  53           H        TYR  53   5.442  10.440  10.440
  383    HA   TYR  53           HA       TYR  53   6.067   7.694   7.694
  384   1HB   TYR  53          1HB       TYR  53   7.120   9.452   9.452
  385   2HB   TYR  53          2HB       TYR  53   7.318   7.709   7.709
  386    HD1  TYR  53           HD1      TYR  53   5.292   6.156   6.156
  387    HD2  TYR  53           HD2      TYR  53   5.175  10.339  10.339
  388    HE1  TYR  53           HE1      TYR  53   3.675   5.663   5.663
  389    HE2  TYR  53           HE2      TYR  53   3.427   9.858   9.858
  390    HH   TYR  53           HH       TYR  53   2.674   6.481   6.481
  391    H    LYS  54           HN       LYS  54   8.502   7.052   7.052
  392    HA   LYS  54           HA       LYS  54  10.402   8.620   8.620
  393   1HB   LYS  54          2HB       LYS  54  10.777   5.710   5.710
  394   2HB   LYS  54          1HB       LYS  54  11.522   6.687   6.687
  395   1HG   LYS  54          1HG       LYS  54   9.359   6.885   6.885
  396   2HG   LYS  54          2HG       LYS  54   8.596   5.819   5.819
  397   1HD   LYS  54          1HD       LYS  54  10.141   4.003   4.003
  398   2HD   LYS  54          2HD       LYS  54  10.986   5.007   5.007
  399   1HE   LYS  54          1HE       LYS  54   8.027   4.268   4.268
  400   2HE   LYS  54          2HE       LYS  54   9.317   3.413   3.413
  401   1HZ   LYS  54          1HZ       LYS  54   9.820   5.460   5.460
  402   2HZ   LYS  54          3HZ       LYS  54   8.595   6.236   6.236
  403   3HZ   LYS  54          2HZ       LYS  54   8.258   5.008   5.008
  404    H    ASP  55           HN       ASP  55  12.632   8.008   8.008
  405    HA   ASP  55           HA       ASP  55  13.108   9.133   9.133
  406   1HB   ASP  55          2HB       ASP  55  14.700   9.402   9.402
  407   2HB   ASP  55          1HB       ASP  55  14.901   7.648   7.648
  408    H    SER  56           H        SER  56  13.008   5.729   5.729
  409    HA   SER  56           HA       SER  56  14.464   4.545   4.545
  410   1HB   SER  56          2HB       SER  56  13.209   2.526   2.526
  411   2HB   SER  56          1HB       SER  56  14.208   3.519   3.519
  412    HG   SER  56           HG       SER  56  12.015   3.081   3.081
  413    H    ILE  57           H        ILE  57  11.063   4.398   4.398
  414    HA   ILE  57           HA       ILE  57  10.191   3.239   3.239
  415    HB   ILE  57           HB       ILE  57   9.181   3.580   3.580
  416   1HG1  ILE  57          1HG1      ILE  57   8.359   1.929   1.929
  417   2HG1  ILE  57          2HG1      ILE  57   7.028   2.748   2.748
  418   1HG2  ILE  57          2HG2      ILE  57   8.766   5.949   5.949
  419   2HG2  ILE  57          3HG2      ILE  57   7.609   5.710   5.710
  420   3HG2  ILE  57          1HG2      ILE  57   7.281   5.036   5.036
  421   1HD1  ILE  57          3HD1      ILE  57   6.603   4.081   4.081
  422   2HD1  ILE  57          2HD1      ILE  57   7.919   3.190   3.190
  423   3HD1  ILE  57          1HD1      ILE  57   6.475   2.335   2.335
  424    H    VAL  58           H        VAL  58  10.432   6.722   6.722
  425    HA   VAL  58           HA       VAL  58   9.286   7.758   7.758
  426    HB   VAL  58           HB       VAL  58  11.252   8.790   8.790
  427   1HG1  VAL  58          1HG1      VAL  58  10.005  10.281  10.281
  428   2HG1  VAL  58          2HG1      VAL  58  10.791  11.040  11.040
  429   3HG1  VAL  58          3HG1      VAL  58  11.748  10.029  10.029
  430   1HG2  VAL  58          3HG2      VAL  58   8.811   8.365   8.365
  431   2HG2  VAL  58          2HG2      VAL  58   9.331  10.049  10.049
  432   3HG2  VAL  58          1HG2      VAL  58   8.356   9.560   9.560
  433    H    ALA  59           H        ALA  59  12.730   7.012   7.012
  434    HA   ALA  59           HA       ALA  59  13.813   7.799   7.799
  435   1HB   ALA  59          2HB       ALA  59  15.189   7.414   7.414
  436   2HB   ALA  59          1HB       ALA  59  14.813   5.677   5.677
  437   3HB   ALA  59          3HB       ALA  59  15.760   6.420   6.420
  438    H    LEU  60           H        LEU  60  12.518   4.622   4.622
  439    HA   LEU  60           HA       LEU  60  13.213   3.183   3.183
  440   1HB   LEU  60          2HB       LEU  60  12.240   2.222   2.222
  441   2HB   LEU  60          1HB       LEU  60  10.680   2.923   2.923
  442    HG   LEU  60           HG       LEU  60  10.574   1.590   1.590
  443   1HD1  LEU  60          2HD2      LEU  60  13.133   0.266   0.266
  444   2HD1  LEU  60          3HD2      LEU  60  12.097  -0.336  -0.336
  445   3HD1  LEU  60          1HD2      LEU  60  12.944   1.194   1.194
  446   1HD2  LEU  60          3HD1      LEU  60   9.555   0.769   0.769
  447   2HD2  LEU  60          2HD1      LEU  60  10.121  -0.561  -0.561
  448   3HD2  LEU  60          1HD1      LEU  60  11.073  -0.076  -0.076
  449    H    GLY  61           H        GLY  61  10.231   5.051   5.051
  450   1HA   GLY  61          1HA       GLY  61   8.903   4.762   4.762
  451   2HA   GLY  61          2HA       GLY  61   8.771   6.147   6.147
  452    H    ALA  62           H        ALA  62  11.088   7.381   7.381
  453    HA   ALA  62           HA       ALA  62  11.269   8.847   8.847
  454   1HB   ALA  62          1HB       ALA  62  12.097   9.576   9.576
  455   2HB   ALA  62          2HB       ALA  62  13.472   8.459   8.459
  456   3HB   ALA  62          3HB       ALA  62  13.292   9.815   9.815
  457    H    SER  63           H        SER  63  12.996   5.841   5.841
  458    HA   SER  63           HA       SER  63  14.877   6.022   6.022
  459   1HB   SER  63          1HB       SER  63  13.907   3.532   3.532
  460   2HB   SER  63          2HB       SER  63  15.379   3.712   3.712
  461    HG   SER  63           HG       SER  63  14.777   5.194   5.194
  462    H    GLY  64           H        GLY  64  11.559   5.817   5.817
  463   1HA   GLY  64          1HA       GLY  64  10.394   5.657   5.657
  464   2HA   GLY  64          2HA       GLY  64  11.715   4.756   4.756
  465    H    PHE  65           H        PHE  65  10.236   4.091   4.091
  466    HA   PHE  65           HA       PHE  65   9.514   1.353   1.353
  467   1HB   PHE  65          2HB       PHE  65  10.946   1.445   1.445
  468   2HB   PHE  65          1HB       PHE  65   9.814   2.557   2.557
  469    HD1  PHE  65           HD2      PHE  65   9.802  -0.869  -0.869
  470    HD2  PHE  65           HD1      PHE  65   8.181   1.758   1.758
  471    HE1  PHE  65           HE2      PHE  65   8.092  -2.564  -2.564
  472    HE2  PHE  65           HE1      PHE  65   6.539   0.026   0.026
  473    HZ   PHE  65           HZ       PHE  65   6.416  -2.077  -2.077
  474    H    ALA  66           H        ALA  66   7.438   1.030   1.030
  475    HA   ALA  66           HA       ALA  66   5.278   2.766   2.766
  476   1HB   ALA  66          3HB       ALA  66   5.590   2.979   2.979
  477   2HB   ALA  66          2HB       ALA  66   5.401   1.220   1.220
  478   3HB   ALA  66          1HB       ALA  66   4.041   2.206   2.206
  479    H    TRP  67           H        TRP  67   3.589   1.815   1.815
  480    HA   TRP  67           HA       TRP  67   3.873  -0.936  -0.936
  481   1HB   TRP  67          2HB       TRP  67   1.825   1.243   1.243
  482   2HB   TRP  67          1HB       TRP  67   1.493  -0.398  -0.398
  483    HD1  TRP  67           HD1      TRP  67   2.350   2.529   2.529
  484    HE1  TRP  67           HE1      TRP  67   3.844   2.208   2.208
  485    HE3  TRP  67           HE3      TRP  67   3.762  -2.328  -2.328
  486    HZ2  TRP  67           HZ2      TRP  67   5.509   0.215   0.215
  487    HZ3  TRP  67           HZ3      TRP  67   5.342  -3.401  -3.401
  488    HH2  TRP  67           HH2      TRP  67   6.217  -2.175  -2.175
  489    H    THR  68           H        THR  68   3.693  -2.402  -2.402
  490    HA   THR  68           HA       THR  68   1.257  -2.374  -2.374
  491    HB   THR  68           HB       THR  68   2.069  -4.483  -4.483
  492    HG1  THR  68           HG1      THR  68   4.375  -4.415  -4.415
  493   1HG2  THR  68          3HG2      THR  68   3.088  -2.442  -2.442
  494   2HG2  THR  68          1HG2      THR  68   4.404  -2.546  -2.546
  495   3HG2  THR  68          2HG2      THR  68   4.207  -3.822  -3.822
  496    H    GLU  69           HN       GLU  69  -0.204  -4.360  -4.360
  497    HA   GLU  69           HA       GLU  69  -1.286  -4.887  -4.887
  498   1HB   GLU  69          1HB       GLU  69  -1.307  -6.786  -6.786
  499   2HB   GLU  69          2HB       GLU  69  -2.437  -6.724  -6.724
  500   1HG   GLU  69          2HG       GLU  69  -2.650  -4.181  -4.181
  501   2HG   GLU  69          1HG       GLU  69  -2.106  -4.812  -4.812
  502    H    GLU  70           HN       GLU  70   1.113  -6.574  -6.574
  503    HA   GLU  70           HA       GLU  70   1.487  -8.883  -8.883
  504   1HB   GLU  70          2HB       GLU  70   3.545  -7.534  -7.534
  505   2HB   GLU  70          1HB       GLU  70   3.429  -9.245  -9.245
  506   1HG   GLU  70          2HG       GLU  70   1.446  -7.663  -7.663
  507   2HG   GLU  70          1HG       GLU  70   2.611  -8.829  -8.829
  508    H    ASP  71           HN       ASP  71   3.323  -5.781  -5.781
  509    HA   ASP  71           HA       ASP  71   5.185  -6.395  -6.395
  510   1HB   ASP  71          1HB       ASP  71   4.084  -3.756  -3.756
  511   2HB   ASP  71          2HB       ASP  71   5.331  -3.911  -3.911
  512    H    ILE  72           H        ILE  72   2.035  -4.647  -4.647
  513    HA   ILE  72           HA       ILE  72   2.071  -4.039  -4.039
  514    HB   ILE  72           HB       ILE  72  -0.267  -4.693  -4.693
  515   1HG1  ILE  72          2HG1      ILE  72   0.526  -1.939  -1.939
  516   2HG1  ILE  72          1HG1      ILE  72   1.311  -2.631  -2.631
  517   1HG2  ILE  72          2HG2      ILE  72  -0.265  -3.458  -3.458
  518   2HG2  ILE  72          1HG2      ILE  72  -1.663  -3.463  -3.463
  519   3HG2  ILE  72          3HG2      ILE  72  -1.031  -4.986  -4.986
  520   1HD1  ILE  72          2HD1      ILE  72  -0.899  -2.993  -2.993
  521   2HD1  ILE  72          3HD1      ILE  72  -1.689  -2.187  -2.187
  522   3HD1  ILE  72          1HD1      ILE  72  -0.558  -1.299  -1.299
  523    H    ALA  73           H        ALA  73   0.655  -6.864  -6.864
  524    HA   ALA  73           HA       ALA  73  -0.221  -8.228  -8.228
  525   1HB   ALA  73          2HB       ALA  73  -0.875  -8.838  -8.838
  526   2HB   ALA  73          1HB       ALA  73   0.783  -9.372  -9.372
  527   3HB   ALA  73          3HB       ALA  73  -0.196 -10.250 -10.250
  528    H    THR  74           H        THR  74   2.987  -8.317  -8.317
  529    HA   THR  74           HA       THR  74   4.052 -10.354 -10.354
  530    HB   THR  74           HB       THR  74   5.512  -8.160  -8.160
  531    HG1  THR  74           HG1      THR  74   4.201  -9.373  -9.373
  532   1HG2  THR  74          3HG2      THR  74   6.424 -10.908 -10.908
  533   2HG2  THR  74          1HG2      THR  74   7.365  -9.799  -9.799
  534   3HG2  THR  74          2HG2      THR  74   6.978  -9.352  -9.352
  535    H    TYR  75           H        TYR  75   4.282  -6.768  -6.768
  536    HA   TYR  75           HA       TYR  75   6.017  -6.360  -6.360
  537   1HB   TYR  75          1HB       TYR  75   5.097  -4.599  -4.599
  538   2HB   TYR  75          2HB       TYR  75   3.487  -4.804  -4.804
  539    HD1  TYR  75           HD1      TYR  75   7.002  -4.268  -4.268
  540    HD2  TYR  75           HD2      TYR  75   2.875  -3.144  -3.144
  541    HE1  TYR  75           HE1      TYR  75   7.628  -2.572  -2.572
  542    HE2  TYR  75           HE2      TYR  75   3.487  -1.507  -1.507
  543    HH   TYR  75           HH       TYR  75   5.158  -0.565  -0.565
  544    H    VAL  76           H        VAL  76   2.468  -6.630  -6.630
  545    HA   VAL  76           HA       VAL  76   2.566  -6.414  -6.414
  546    HB   VAL  76           HB       VAL  76   0.516  -7.841  -7.841
  547   1HG1  VAL  76          1HG1      VAL  76   0.413  -5.369  -5.369
  548   2HG1  VAL  76          2HG1      VAL  76   0.557  -5.474  -5.474
  549   3HG1  VAL  76          3HG1      VAL  76  -0.882  -6.114  -6.114
  550   1HG2  VAL  76          3HG2      VAL  76   0.971  -9.221  -9.221
  551   2HG2  VAL  76          2HG2      VAL  76  -0.616  -8.447  -8.447
  552   3HG2  VAL  76          1HG2      VAL  76   0.660  -7.784  -7.784
  553    H    LYS  77           HN       LYS  77   3.475  -9.228  -9.228
  554    HA   LYS  77           HA       LYS  77   3.395 -11.079 -11.079
  555   1HB   LYS  77          1HB       LYS  77   4.974 -11.435 -11.435
  556   2HB   LYS  77          2HB       LYS  77   4.369 -12.664 -12.664
  557   1HG   LYS  77          1HG       LYS  77   1.993 -11.745 -11.745
  558   2HG   LYS  77          2HG       LYS  77   2.808 -10.912 -10.912
  559   1HD   LYS  77          2HD       LYS  77   3.718 -13.072 -13.072
  560   2HD   LYS  77          1HD       LYS  77   2.821 -13.932 -13.932
  561   1HE   LYS  77          1HE       LYS  77   1.599 -12.199 -12.199
  562   2HE   LYS  77          2HE       LYS  77   1.627 -13.969 -13.969
  563   1HZ   LYS  77          1HZ       LYS  77   0.307 -13.902 -13.902
  564   2HZ   LYS  77          3HZ       LYS  77   0.265 -12.253 -12.253
  565   3HZ   LYS  77          2HZ       LYS  77  -0.458 -13.117 -13.117
  566    H    ASP  78           HN       ASP  78   5.710  -8.717  -8.717
  567    HA   ASP  78           HA       ASP  78   7.645  -9.398  -9.398
  568   1HB   ASP  78          1HB       ASP  78   8.242  -9.820  -9.820
  569   2HB   ASP  78          2HB       ASP  78   9.486  -9.432  -9.432
  570    HA   PRO  79           HA       PRO  79   7.506  -5.000  -5.000
  571   1HB   PRO  79          2HB       PRO  79   6.467  -3.717  -3.717
  572   2HB   PRO  79          1HB       PRO  79   5.441  -4.549  -4.549
  573   1HG   PRO  79          2HG       PRO  79   6.421  -5.690  -5.690
  574   2HG   PRO  79          1HG       PRO  79   4.750  -5.571  -5.571
  575   1HD   PRO  79          1HD       PRO  79   6.236  -7.872  -7.872
  576   2HD   PRO  79          2HD       PRO  79   5.097  -7.268  -7.268
  577    H    GLY  80           H        GLY  80   8.847  -3.406  -3.406
  578   1HA   GLY  80          1HA       GLY  80  10.844  -2.632  -2.632
  579   2HA   GLY  80          2HA       GLY  80  10.767  -3.989  -3.989
  580    H    ALA  81           H        ALA  81  10.973  -6.219  -6.219
  581    HA   ALA  81           HA       ALA  81  13.560  -6.530  -6.530
  582   1HB   ALA  81          2HB       ALA  81  11.103  -8.278  -8.278
  583   2HB   ALA  81          1HB       ALA  81  12.741  -8.781  -8.781
  584   3HB   ALA  81          3HB       ALA  81  12.384  -8.375  -8.375
  585    H    PHE  82           H        PHE  82  10.376  -6.348  -6.348
  586    HA   PHE  82           HA       PHE  82  11.177  -6.429  -6.429
  587   1HB   PHE  82          2HB       PHE  82   8.827  -6.159  -6.159
  588   2HB   PHE  82          1HB       PHE  82   9.195  -4.466  -4.466
  589    HD1  PHE  82           HD1      PHE  82   9.629  -2.971  -2.971
  590    HD2  PHE  82           HD2      PHE  82   8.096  -6.997  -6.997
  591    HE1  PHE  82           HE1      PHE  82   8.658  -2.439  -2.439
  592    HE2  PHE  82           HE2      PHE  82   7.152  -6.450  -6.450
  593    HZ   PHE  82           HZ       PHE  82   7.494  -4.197  -4.197
  594    H    LEU  83           H        LEU  83  11.356  -3.627  -3.627
  595    HA   LEU  83           HA       LEU  83  12.072  -1.662  -1.662
  596   1HB   LEU  83          1HB       LEU  83  12.633  -1.509  -1.509
  597   2HB   LEU  83          2HB       LEU  83  12.552  -0.226  -0.226
  598    HG   LEU  83           HG       LEU  83  10.254  -1.883  -1.883
  599   1HD1  LEU  83          1HD1      LEU  83  10.986   1.085   1.085
  600   2HD1  LEU  83          3HD1      LEU  83   9.513   0.367   0.367
  601   3HD1  LEU  83          2HD1      LEU  83  11.100  -0.091  -0.091
  602   1HD2  LEU  83          3HD2      LEU  83  10.257   0.231   0.231
  603   2HD2  LEU  83          1HD2      LEU  83   9.836  -1.489  -1.489
  604   3HD2  LEU  83          2HD2      LEU  83   8.800  -0.444  -0.444
  605    H    LYS  84           HN       LYS  84  13.736  -3.216  -3.216
  606    HA   LYS  84           HA       LYS  84  16.371  -2.453  -2.453
  607   1HB   LYS  84          2HB       LYS  84  15.324  -5.166  -5.166
  608   2HB   LYS  84          1HB       LYS  84  17.005  -4.648  -4.648
  609   1HG   LYS  84          2HG       LYS  84  16.416  -2.857  -2.857
  610   2HG   LYS  84          1HG       LYS  84  14.676  -3.090  -3.090
  611   1HD   LYS  84          2HD       LYS  84  14.750  -5.302  -5.302
  612   2HD   LYS  84          1HD       LYS  84  16.502  -5.163  -5.163
  613   1HE   LYS  84          2HE       LYS  84  15.383  -4.704  -4.704
  614   2HE   LYS  84          1HE       LYS  84  16.133  -3.214  -3.214
  615   1HZ   LYS  84          3HZ       LYS  84  13.298  -3.932  -3.932
  616   2HZ   LYS  84          2HZ       LYS  84  13.920  -2.854  -2.854
  617   3HZ   LYS  84          1HZ       LYS  84  13.984  -2.530  -2.530
  618    H    GLU  85           HN       GLU  85  14.761  -5.261  -5.261
  619    HA   GLU  85           HA       GLU  85  16.881  -6.139  -6.139
  620   1HB   GLU  85          1HB       GLU  85  14.851  -7.450  -7.450
  621   2HB   GLU  85          2HB       GLU  85  13.858  -6.314  -6.314
  622   1HG   GLU  85          1HG       GLU  85  15.306  -6.932  -6.932
  623   2HG   GLU  85          2HG       GLU  85  15.932  -8.255  -8.255
  624    H    LYS  86           HN       LYS  86  13.954  -4.305  -4.305
  625    HA   LYS  86           HA       LYS  86  15.153  -3.960  -3.960
  626   1HB   LYS  86          1HB       LYS  86  12.745  -2.554  -2.554
  627   2HB   LYS  86          2HB       LYS  86  13.219  -2.569  -2.569
  628   1HG   LYS  86          2HG       LYS  86  13.207  -5.155  -5.155
  629   2HG   LYS  86          1HG       LYS  86  12.325  -4.919  -4.919
  630   1HD   LYS  86          2HD       LYS  86  10.627  -3.557  -3.557
  631   2HD   LYS  86          1HD       LYS  86  11.463  -4.011  -4.011
  632   1HE   LYS  86          1HE       LYS  86  10.182  -5.915  -5.915
  633   2HE   LYS  86          2HE       LYS  86   9.546  -5.505  -5.505
  634   1HZ   LYS  86          1HZ       LYS  86  11.563  -6.498  -6.498
  635   2HZ   LYS  86          3HZ       LYS  86  12.019  -6.968  -6.968
  636   3HZ   LYS  86          2HZ       LYS  86  10.644  -7.571  -7.571
  637    H    LEU  87           H        LEU  87  15.258  -1.874  -1.874
  638    HA   LEU  87           HA       LEU  87  16.431   0.327   0.327
  639   1HB   LEU  87          2HB       LEU  87  14.859   0.619   0.619
  640   2HB   LEU  87          1HB       LEU  87  16.115  -0.061  -0.061
  641    HG   LEU  87           HG       LEU  87  17.581   1.855   1.855
  642   1HD1  LEU  87          2HD1      LEU  87  15.289   2.856   2.856
  643   2HD1  LEU  87          3HD1      LEU  87  16.653   3.850   3.850
  644   3HD1  LEU  87          1HD1      LEU  87  16.945   2.488   2.488
  645   1HD2  LEU  87          1HD2      LEU  87  15.969   1.940   1.940
  646   2HD2  LEU  87          2HD2      LEU  87  16.250   3.547   3.547
  647   3HD2  LEU  87          3HD2      LEU  87  14.757   2.666   2.666
  648    H    ASP  88           HN       ASP  88  17.587  -2.619  -2.619
  649    HA   ASP  88           HA       ASP  88  19.544  -3.461  -3.461
  650   1HB   ASP  88          1HB       ASP  88  20.045  -2.969  -2.969
  651   2HB   ASP  88          2HB       ASP  88  20.614  -1.353  -1.353
  652    H    ASP  89           HN       ASP  89  18.667  -2.222  -2.222
  653    HA   ASP  89           HA       ASP  89  20.859  -0.600  -0.600
  654   1HB   ASP  89          2HB       ASP  89  19.361   1.061   1.061
  655   2HB   ASP  89          1HB       ASP  89  17.955   0.233   0.233
  656    H    LYS  90           HN       LYS  90  20.778  -0.551  -0.551
  657    HA   LYS  90           HA       LYS  90  19.781  -3.075  -3.075
  658   1HB   LYS  90          1HB       LYS  90  22.258  -1.635  -1.635
  659   2HB   LYS  90          2HB       LYS  90  21.521  -1.269  -1.269
  660   1HG   LYS  90          1HG       LYS  90  22.725  -3.172  -3.172
  661   2HG   LYS  90          2HG       LYS  90  21.155  -3.899  -3.899
  662   1HD   LYS  90          2HD       LYS  90  23.572  -3.716  -3.716
  663   2HD   LYS  90          1HD       LYS  90  23.028  -5.158  -5.158
  664   1HE   LYS  90          1HE       LYS  90  20.885  -5.108  -5.108
  665   2HE   LYS  90          2HE       LYS  90  21.522  -3.730  -3.730
  666   1HZ   LYS  90          2HZ       LYS  90  23.312  -5.097  -5.097
  667   2HZ   LYS  90          1HZ       LYS  90  22.729  -6.389  -6.389
  668   3HZ   LYS  90          3HZ       LYS  90  21.863  -5.760  -5.760
  669    H    LYS  91           HN       LYS  91  20.010   0.448   0.448
  670    HA   LYS  91           HA       LYS  91  18.211   0.388   0.388
  671   1HB   LYS  91          2HB       LYS  91  18.553   2.772   2.772
  672   2HB   LYS  91          1HB       LYS  91  20.085   1.909   1.909
  673   1HG   LYS  91          2HG       LYS  91  20.576   2.598   2.598
  674   2HG   LYS  91          1HG       LYS  91  18.909   2.981   2.981
  675   1HD   LYS  91          1HD       LYS  91  20.667   4.566   4.566
  676   2HD   LYS  91          2HD       LYS  91  20.306   4.984   4.984
  677   1HE   LYS  91          1HE       LYS  91  18.364   4.980   4.980
  678   2HE   LYS  91          2HE       LYS  91  18.889   6.337   6.337
  679   1HZ   LYS  91          3HZ       LYS  91  17.769   5.288   5.288
  680   2HZ   LYS  91          1HZ       LYS  91  17.219   4.086   4.086
  681   3HZ   LYS  91          2HZ       LYS  91  16.737   5.642   5.642
  682    H    ALA  92           H        ALA  92  17.008  -0.563  -0.563
  683    HA   ALA  92           HA       ALA  92  15.191   1.633   1.633
  684   1HB   ALA  92          3HB       ALA  92  16.186   0.188   0.188
  685   2HB   ALA  92          2HB       ALA  92  15.243  -1.156  -1.156
  686   3HB   ALA  92          1HB       ALA  92  14.422   0.263   0.263
  687    H    LYS  93           HN       LYS  93  14.504   1.646   1.646
  688    HA   LYS  93           HA       LYS  93  12.880  -0.564  -0.564
  689   1HB   LYS  93          2HB       LYS  93  13.137   2.320   2.320
  690   2HB   LYS  93          1HB       LYS  93  12.367   0.991   0.991
  691   1HG   LYS  93          2HG       LYS  93  14.552  -0.235  -0.235
  692   2HG   LYS  93          1HG       LYS  93  15.319   1.154   1.154
  693   1HD   LYS  93          2HD       LYS  93  14.660   2.611   2.611
  694   2HD   LYS  93          1HD       LYS  93  13.919   1.215   1.215
  695   1HE   LYS  93          1HE       LYS  93  16.133   0.068   0.068
  696   2HE   LYS  93          2HE       LYS  93  16.870   1.472   1.472
  697   1HZ   LYS  93          2HZ       LYS  93  16.246   2.792   2.792
  698   2HZ   LYS  93          3HZ       LYS  93  15.562   1.488   1.488
  699   3HZ   LYS  93          1HZ       LYS  93  17.185   1.522   1.522
  700    H    THR  94           H        THR  94  10.528  -0.384  -0.384
  701    HA   THR  94           HA       THR  94   9.053   1.451   1.451
  702    HB   THR  94           HB       THR  94   8.994  -0.799  -0.799
  703    HG1  THR  94           HG1      THR  94   6.858  -0.743  -0.743
  704   1HG2  THR  94          1HG2      THR  94   9.412  -2.174  -2.174
  705   2HG2  THR  94          2HG2      THR  94   7.796  -1.754  -1.754
  706   3HG2  THR  94          3HG2      THR  94   7.971  -2.697  -2.697
  707    H    GLY  95           H        GLY  95   7.140   2.202   2.202
  708   1HA   GLY  95          1HA       GLY  95   6.908   2.233   2.233
  709   2HA   GLY  95          2HA       GLY  95   5.746   2.869   2.869
  710    H    MET  96           H        MET  96   5.709   0.188   0.188
  711    HA   MET  96           HA       MET  96   3.473  -0.849  -0.849
  712   1HB   MET  96          1HB       MET  96   3.858  -0.866  -0.866
  713   2HB   MET  96          2HB       MET  96   4.966  -2.196  -2.196
  714   1HG   MET  96          1HG       MET  96   3.285  -3.658  -3.658
  715   2HG   MET  96          2HG       MET  96   2.264  -2.398  -2.398
  716   1HE   MET  96          3HE       MET  96   3.740  -3.097  -3.097
  717   2HE   MET  96          2HE       MET  96   2.996  -4.646  -4.646
  718   3HE   MET  96          1HE       MET  96   2.289  -3.697  -3.697
  719    H    ALA  97           H        ALA  97   4.497  -1.250  -1.250
  720    HA   ALA  97           HA       ALA  97   6.143  -3.633  -3.633
  721   1HB   ALA  97          2HB       ALA  97   6.211  -1.756  -1.756
  722   2HB   ALA  97          3HB       ALA  97   4.506  -2.032  -2.032
  723   3HB   ALA  97          1HB       ALA  97   5.730  -3.263  -3.263
  724    H    PHE  98           H        PHE  98   4.371  -4.624  -4.624
  725    HA   PHE  98           HA       PHE  98   2.817  -6.585  -6.585
  726   1HB   PHE  98          1HB       PHE  98   1.073  -4.998  -4.998
  727   2HB   PHE  98          2HB       PHE  98   1.609  -4.197  -4.197
  728    HD1  PHE  98           HD2      PHE  98  -0.332  -7.091  -7.091
  729    HD2  PHE  98           HD1      PHE  98   1.037  -4.958  -4.958
  730    HE1  PHE  98           HE2      PHE  98  -1.893  -8.391  -8.391
  731    HE2  PHE  98           HE1      PHE  98  -0.442  -6.314  -6.314
  732    HZ   PHE  98           HZ       PHE  98  -1.991  -7.979  -7.979
  733    H    LYS  99           HN       LYS  99   2.308  -8.326  -8.326
  734    HA   LYS  99           HA       LYS  99   3.102  -8.022  -8.022
  735   1HB   LYS  99          2HB       LYS  99   4.288 -10.363 -10.363
  736   2HB   LYS  99          1HB       LYS  99   4.663  -9.777  -9.777
  737   1HG   LYS  99          2HG       LYS  99   5.669  -7.707  -7.707
  738   2HG   LYS  99          1HG       LYS  99   5.501  -8.540  -8.540
  739   1HD   LYS  99          2HD       LYS  99   7.087  -9.530  -9.530
  740   2HD   LYS  99          1HD       LYS  99   7.779  -8.801  -8.801
  741   1HE   LYS  99          1HE       LYS  99   6.317 -11.479 -11.479
  742   2HE   LYS  99          2HE       LYS  99   8.042 -11.221 -11.221
  743   1HZ   LYS  99          1HZ       LYS  99   7.508 -10.179 -10.179
  744   2HZ   LYS  99          3HZ       LYS  99   5.900 -10.456 -10.456
  745   3HZ   LYS  99          2HZ       LYS  99   6.937 -11.724 -11.724
  746    H    LEU 100           H        LEU 100   2.211  -9.855  -9.855
  747    HA   LEU 100           HA       LEU 100   0.702 -11.931 -11.931
  748   1HB   LEU 100          2HB       LEU 100  -0.857 -10.037 -10.037
  749   2HB   LEU 100          1HB       LEU 100  -0.668  -9.769  -9.769
  750    HG   LEU 100           HG       LEU 100  -1.650 -12.091 -12.091
  751   1HD1  LEU 100          1HD2      LEU 100  -2.247 -11.877 -11.877
  752   2HD1  LEU 100          3HD2      LEU 100  -2.968 -13.059 -13.059
  753   3HD1  LEU 100          2HD2      LEU 100  -1.233 -13.107 -13.107
  754   1HD2  LEU 100          2HD1      LEU 100  -2.958 -10.011 -10.011
  755   2HD2  LEU 100          1HD1      LEU 100  -3.932 -11.361 -11.361
  756   3HD2  LEU 100          3HD1      LEU 100  -3.387 -10.094 -10.094
  757    H    ALA 101           H        ALA 101   1.441 -13.652 -13.652
  758    HA   ALA 101           HA       ALA 101   2.274 -13.380 -13.380
  759   1HB   ALA 101          1HB       ALA 101   3.465 -14.799 -14.799
  760   2HB   ALA 101          3HB       ALA 101   2.036 -15.852 -15.852
  761   3HB   ALA 101          2HB       ALA 101   2.924 -15.720 -15.720
  762    H    LYS 102           HN       LYS 102  -0.468 -12.718 -12.718
  763    HA   LYS 102           HA       LYS 102  -1.783 -14.379 -14.379
  764   1HB   LYS 102          2HB       LYS 102  -2.754 -14.361 -14.361
  765   2HB   LYS 102          1HB       LYS 102  -3.817 -14.758 -14.758
  766   1HG   LYS 102          1HG       LYS 102  -1.385 -16.343 -16.343
  767   2HG   LYS 102          2HG       LYS 102  -3.076 -16.758 -16.758
  768   1HD   LYS 102          2HD       LYS 102  -1.598 -16.631 -16.631
  769   2HD   LYS 102          1HD       LYS 102  -2.122 -18.070 -18.070
  770   1HE   LYS 102          1HE       LYS 102  -4.510 -17.347 -17.347
  771   2HE   LYS 102          2HE       LYS 102  -3.966 -15.954 -15.954
  772   1HZ   LYS 102          3HZ       LYS 102  -3.015 -17.451 -17.451
  773   2HZ   LYS 102          2HZ       LYS 102  -3.524 -18.758 -18.758
  774   3HZ   LYS 102          1HZ       LYS 102  -4.626 -17.740 -17.740
  775    H    GLY 103           H        GLY 103  -4.174 -13.380 -13.380
  776   1HA   GLY 103          1HA       GLY 103  -5.597 -11.574 -11.574
  777   2HA   GLY 103          2HA       GLY 103  -4.468 -10.699 -10.699
  778    H    GLY 104           H        GLY 104  -2.222 -10.447 -10.447
  779   1HA   GLY 104          1HA       GLY 104  -2.142  -8.308  -8.308
  780   2HA   GLY 104          2HA       GLY 104  -1.081  -9.687  -9.687
  781    H    GLU 105           HN       GLU 105  -2.455 -11.490 -11.490
  782    HA   GLU 105           HA       GLU 105  -2.748 -10.562 -10.562
  783   1HB   GLU 105          1HB       GLU 105  -3.718 -12.785 -12.785
  784   2HB   GLU 105          2HB       GLU 105  -2.217 -12.810 -12.810
  785   1HG   GLU 105          1HG       GLU 105  -5.014 -13.339 -13.339
  786   2HG   GLU 105          2HG       GLU 105  -3.731 -14.478 -14.478
  787    H    ASP 106           HN       ASP 106  -5.446 -11.360 -11.360
  788    HA   ASP 106           HA       ASP 106  -7.466 -10.547 -10.547
  789   1HB   ASP 106          2HB       ASP 106  -8.991 -10.814 -10.814
  790   2HB   ASP 106          1HB       ASP 106  -8.146 -12.253 -12.253
  791    H    VAL 107           H        VAL 107  -5.909  -9.061  -9.061
  792    HA   VAL 107           HA       VAL 107  -7.534  -6.723  -6.723
  793    HB   VAL 107           HB       VAL 107  -4.696  -7.204  -7.204
  794   1HG1  VAL 107          2HG1      VAL 107  -6.577  -4.826  -4.826
  795   2HG1  VAL 107          1HG1      VAL 107  -5.252  -5.154  -5.154
  796   3HG1  VAL 107          3HG1      VAL 107  -4.896  -4.814  -4.814
  797   1HG2  VAL 107          2HG2      VAL 107  -6.553  -8.536  -8.536
  798   2HG2  VAL 107          3HG2      VAL 107  -5.777  -7.382  -7.382
  799   3HG2  VAL 107          1HG2      VAL 107  -7.358  -7.004  -7.004
  800    H    ALA 108           H        ALA 108  -4.500  -7.455  -7.455
  801    HA   ALA 108           HA       ALA 108  -4.136  -4.880  -4.880
  802   1HB   ALA 108          2HB       ALA 108  -3.478  -7.612  -7.612
  803   2HB   ALA 108          1HB       ALA 108  -2.868  -6.049  -6.049
  804   3HB   ALA 108          3HB       ALA 108  -2.428  -6.624  -6.624
  805    H    ALA 109           H        ALA 109  -6.016  -7.696  -7.696
  806    HA   ALA 109           HA       ALA 109  -7.023  -6.416  -6.416
  807   1HB   ALA 109          1HB       ALA 109  -7.144  -8.818  -8.818
  808   2HB   ALA 109          2HB       ALA 109  -8.336  -8.584  -8.584
  809   3HB   ALA 109          3HB       ALA 109  -8.747  -8.147  -8.147
  810    H    TYR 110           H        TYR 110  -8.336  -6.554  -6.554
  811    HA   TYR 110           HA       TYR 110 -10.680  -5.062  -5.062
  812   1HB   TYR 110          2HB       TYR 110 -10.387  -6.226  -6.226
  813   2HB   TYR 110          1HB       TYR 110  -8.994  -5.243  -5.243
  814    HD1  TYR 110           HD1      TYR 110 -12.565  -4.689  -4.689
  815    HD2  TYR 110           HD2      TYR 110  -9.405  -3.612  -3.612
  816    HE1  TYR 110           HE1      TYR 110 -14.068  -3.077  -3.077
  817    HE2  TYR 110           HE2      TYR 110 -10.955  -2.075  -2.075
  818    HH   TYR 110           HH       TYR 110 -14.404  -1.876  -1.876
  819    H    LEU 111           H        LEU 111  -7.418  -3.869  -3.869
  820    HA   LEU 111           HA       LEU 111  -8.082  -1.121  -1.121
  821   1HB   LEU 111          1HB       LEU 111  -5.464  -2.563  -2.563
  822   2HB   LEU 111          2HB       LEU 111  -5.591  -0.802  -0.802
  823    HG   LEU 111           HG       LEU 111  -6.576  -2.572  -2.572
  824   1HD1  LEU 111          3HD1      LEU 111  -3.852  -1.243  -1.243
  825   2HD1  LEU 111          1HD1      LEU 111  -4.447  -2.057  -2.057
  826   3HD1  LEU 111          2HD1      LEU 111  -4.175  -2.993  -2.993
  827   1HD2  LEU 111          2HD2      LEU 111  -5.836   0.384   0.384
  828   2HD2  LEU 111          1HD2      LEU 111  -7.471  -0.262  -0.262
  829   3HD2  LEU 111          3HD2      LEU 111  -6.268  -0.455  -0.455
  830    H    ALA 112           H        ALA 112  -6.843  -3.200  -3.200
  831    HA   ALA 112           HA       ALA 112  -6.755  -1.216  -1.216
  832   1HB   ALA 112          2HB       ALA 112  -5.760  -3.446  -3.446
  833   2HB   ALA 112          3HB       ALA 112  -7.377  -4.179  -4.179
  834   3HB   ALA 112          1HB       ALA 112  -6.838  -3.075  -3.075
  835    H    SER 113           H        SER 113  -9.483  -3.211  -3.211
  836    HA   SER 113           HA       SER 113 -11.366  -2.261  -2.261
  837   1HB   SER 113          2HB       SER 113 -11.959  -3.372  -3.372
  838   2HB   SER 113          1HB       SER 113 -13.041  -3.306  -3.306
  839    HG   SER 113           HG       SER 113 -10.597  -4.779  -4.779
  840    H    VAL 114           H        VAL 114 -10.418  -1.180  -1.180
  841    HA   VAL 114           HA       VAL 114 -12.533   0.666   0.666
  842    HB   VAL 114           HB       VAL 114  -9.915  -0.078  -0.078
  843   1HG1  VAL 114          3HG2      VAL 114 -11.536   2.315   2.315
  844   2HG1  VAL 114          2HG2      VAL 114 -10.277   1.511   1.511
  845   3HG1  VAL 114          1HG2      VAL 114  -9.826   2.284   2.284
  846   1HG2  VAL 114          3HG1      VAL 114 -12.037  -1.366  -1.366
  847   2HG2  VAL 114          1HG1      VAL 114 -11.342  -0.649  -0.649
  848   3HG2  VAL 114          2HG1      VAL 114 -12.751   0.105   0.105
  849    H    VAL 115           H        VAL 115  -9.225   1.081   1.081
  850    HA   VAL 115           HA       VAL 115  -9.381   3.943   3.943
  851    HB   VAL 115           HB       VAL 115  -7.296   2.854   2.854
  852   1HG1  VAL 115          1HG2      VAL 115  -7.716   0.930   0.930
  853   2HG1  VAL 115          3HG2      VAL 115  -7.837   1.966   1.966
  854   3HG1  VAL 115          2HG2      VAL 115  -6.314   1.848   1.848
  855   1HG2  VAL 115          1HG1      VAL 115  -7.502   5.169   5.169
  856   2HG2  VAL 115          3HG1      VAL 115  -6.189   4.289   4.289
  857   3HG2  VAL 115          2HG1      VAL 115  -7.719   4.555   4.555
  858    H    LYS 116           HN       LYS 116 -11.482   4.377   4.377
  859    HA   LYS 116           HA       LYS 116 -11.986   4.753   4.753
  860   1HB   LYS 116          1HB       LYS 116 -14.239   3.903   3.903
  861   2HB   LYS 116          2HB       LYS 116 -13.133   2.671   2.671
  862   1HG   LYS 116          1HG       LYS 116 -13.555   4.018   4.018
  863   2HG   LYS 116          2HG       LYS 116 -15.010   4.535   4.535
  864   1HD   LYS 116          1HD       LYS 116 -15.771   2.207   2.207
  865   2HD   LYS 116          2HD       LYS 116 -14.172   1.611   1.611
  866   1HE   LYS 116          2HE       LYS 116 -15.661   1.464   1.464
  867   2HE   LYS 116          1HE       LYS 116 -14.393   2.659   2.659
  868   1HZ   LYS 116          1HZ       LYS 116 -17.134   3.277   3.277
  869   2HZ   LYS 116          3HZ       LYS 116 -16.544   3.444   3.444
  870   3HZ   LYS 116          2HZ       LYS 116 -15.947   4.377   4.377
  871    HHA  HEC 117           HHA      HEM 117   3.110   2.188   2.188
  872    HHB  HEC 117           HHB      HEM 117  -0.910  -1.947  -1.947
  873    HHC  HEC 117           HHC      HEM 117  -2.509  -4.089  -4.089
  874    HHD  HEC 117           HHD      HEM 117   1.189   0.456   0.456
  875   1HMA  HEC 117          1HMA      HEM 117   0.245  -0.307  -0.307
  876   2HMA  HEC 117          2HMA      HEM 117   1.068  -1.852  -1.852
  877   3HMA  HEC 117          3HMA      HEM 117   2.011  -0.436  -0.436
  878   1HAA  HEC 117          1HAA      HEM 117   3.530   1.085   1.085
  879   2HAA  HEC 117          2HAA      HEM 117   3.433   2.249   2.249
  880   1HBA  HEC 117          1HBA      HEM 117   1.112   2.884   2.884
  881   2HBA  HEC 117          2HBA      HEM 117   1.571   1.983   1.983
  882   1HMB  HEC 117          1HMB      HEM 117  -2.015  -3.826  -3.826
  883   2HMB  HEC 117          2HMB      HEM 117  -3.057  -4.975  -4.975
  884   3HMB  HEC 117          3HMB      HEM 117  -3.647  -3.328  -3.328
  885    HAB  HEC 117           HAB      HEM 117  -3.558  -5.625  -5.625
  886   1HBB  HEC 117          1HBB      HEM 117  -4.092  -5.418  -5.418
  887   2HBB  HEC 117          2HBB      HEM 117  -2.741  -6.247  -6.247
  888   3HBB  HEC 117          3HBB      HEM 117  -4.409  -6.703  -6.703
  889   1HMC  HEC 117          1HMC      HEM 117  -1.952  -3.766  -3.766
  890   2HMC  HEC 117          2HMC      HEM 117  -3.285  -3.306  -3.306
  891   3HMC  HEC 117          3HMC      HEM 117  -2.167  -4.616  -4.616
  892    HAC  HEC 117           HAC      HEM 117  -1.485  -1.735  -1.735
  893   1HBC  HEC 117          1HBC      HEM 117   1.406  -0.789  -0.789
  894   2HBC  HEC 117          2HBC      HEM 117   0.422  -1.078  -1.078
  895   3HBC  HEC 117          3HBC      HEM 117   0.865  -2.433  -2.433
  896   1HMD  HEC 117          1HMD      HEM 117   3.378   3.424   3.424
  897   2HMD  HEC 117          2HMD      HEM 117   2.977   1.909   1.909
  898   3HMD  HEC 117          3HMD      HEM 117   1.698   3.052   3.052
  899   1HAD  HEC 117          1HAD      HEM 117   3.455   3.985   3.985
  900   2HAD  HEC 117          2HAD      HEM 117   4.036   3.993   3.993
  901   1HBD  HEC 117          1HBD      HEM 117   5.523   1.970   1.970
  902   2HBD  HEC 117          2HBD      HEM 117   5.227   2.572   2.572

  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -7.548 -12.975 -12.975
    2   2H    GLY   1          2H        GLY   1  -7.810 -14.107 -14.107
    3   1HA   GLY   1          1HA       GLY   1  -7.105 -11.271 -11.271
    4   2HA   GLY   1          2HA       GLY   1  -7.402 -12.476 -12.476
    5    H    ASP   2           HN       ASP   2  -9.494 -12.757 -12.757
    6    HA   ASP   2           HA       ASP   2 -11.815 -12.025 -12.025
    7   1HB   ASP   2          2HB       ASP   2 -11.629 -13.395 -13.395
    8   2HB   ASP   2          1HB       ASP   2 -13.136 -13.013 -13.013
    9    H    ALA   3           H        ALA   3 -11.372  -9.783  -9.783
   10    HA   ALA   3           HA       ALA   3 -10.995  -7.974  -7.974
   11   1HB   ALA   3          1HB       ALA   3 -11.415  -7.384  -7.384
   12   2HB   ALA   3          2HB       ALA   3 -13.144  -7.754  -7.754
   13   3HB   ALA   3          3HB       ALA   3 -12.428  -6.389  -6.389
   14    H    ALA   4           H        ALA   4 -14.177  -9.529  -9.529
   15    HA   ALA   4           HA       ALA   4 -15.684  -8.094  -8.094
   16   1HB   ALA   4          1HB       ALA   4 -16.664  -9.669  -9.669
   17   2HB   ALA   4          2HB       ALA   4 -15.895 -11.036 -11.036
   18   3HB   ALA   4          3HB       ALA   4 -17.151 -10.082 -10.082
   19    H    LYS   5           HN       LYS   5 -13.603 -11.005 -11.005
   20    HA   LYS   5           HA       LYS   5 -14.186 -11.130 -11.130
   21   1HB   LYS   5          2HB       LYS   5 -11.940 -12.427 -12.427
   22   2HB   LYS   5          1HB       LYS   5 -12.487 -12.818 -12.818
   23   1HG   LYS   5          2HG       LYS   5 -14.827 -12.978 -12.978
   24   2HG   LYS   5          1HG       LYS   5 -13.626 -13.566 -13.566
   25   1HD   LYS   5          1HD       LYS   5 -14.040 -14.631 -14.631
   26   2HD   LYS   5          2HD       LYS   5 -14.654 -15.401 -15.401
   27   1HE   LYS   5          1HE       LYS   5 -11.680 -14.928 -14.928
   28   2HE   LYS   5          2HE       LYS   5 -12.546 -16.432 -16.432
   29   1HZ   LYS   5          3HZ       LYS   5 -13.059 -16.599 -16.599
   30   2HZ   LYS   5          2HZ       LYS   5 -12.224 -15.220 -15.220
   31   3HZ   LYS   5          1HZ       LYS   5 -11.434 -16.535 -16.535
   32    H    GLY   6           H        GLY   6 -11.687  -9.842  -9.842
   33   1HA   GLY   6          1HA       GLY   6  -9.770  -8.889  -8.889
   34   2HA   GLY   6          2HA       GLY   6 -10.254  -8.061  -8.061
   35    H    GLU   7           HN       GLU   7 -12.844  -7.230  -7.230
   36    HA   GLU   7           HA       GLU   7 -12.634  -4.893  -4.893
   37   1HB   GLU   7          1HB       GLU   7 -15.044  -6.699  -6.699
   38   2HB   GLU   7          2HB       GLU   7 -15.156  -5.093  -5.093
   39   1HG   GLU   7          2HG       GLU   7 -14.529  -3.998  -3.998
   40   2HG   GLU   7          1HG       GLU   7 -13.841  -5.454  -5.454
   41    H    LYS   8           HN       LYS   8 -13.551  -8.158  -8.158
   42    HA   LYS   8           HA       LYS   8 -14.302  -7.283  -7.283
   43   1HB   LYS   8          2HB       LYS   8 -13.754 -10.108 -10.108
   44   2HB   LYS   8          1HB       LYS   8 -14.658  -9.615  -9.615
   45   1HG   LYS   8          2HG       LYS   8 -16.346  -8.499  -8.499
   46   2HG   LYS   8          1HG       LYS   8 -15.449  -9.074  -9.074
   47   1HD   LYS   8          1HD       LYS   8 -15.761 -11.444 -11.444
   48   2HD   LYS   8          2HD       LYS   8 -16.777 -10.804 -10.804
   49   1HE   LYS   8          1HE       LYS   8 -18.237 -11.541 -11.541
   50   2HE   LYS   8          2HE       LYS   8 -18.283  -9.771  -9.771
   51   1HZ   LYS   8          2HZ       LYS   8 -16.704  -9.798  -9.798
   52   2HZ   LYS   8          1HZ       LYS   8 -16.712 -11.442 -11.442
   53   3HZ   LYS   8          3HZ       LYS   8 -18.085 -10.613 -10.613
   54    H    GLU   9           HN       GLU   9 -11.600  -8.996  -8.996
   55    HA   GLU   9           HA       GLU   9  -9.996  -9.433  -9.433
   56   1HB   GLU   9          2HB       GLU   9  -9.740 -10.350 -10.350
   57   2HB   GLU   9          1HB       GLU   9  -9.035  -8.790  -8.790
   58   1HG   GLU   9          1HG       GLU   9  -7.206 -10.201 -10.201
   59   2HG   GLU   9          2HG       GLU   9  -7.274  -9.261  -9.261
   60    H    PHE  10           H        PHE  10 -10.306  -6.567  -6.567
   61    HA   PHE  10           HA       PHE  10  -8.257  -4.996  -4.996
   62   1HB   PHE  10          2HB       PHE  10  -9.872  -4.544  -4.544
   63   2HB   PHE  10          1HB       PHE  10 -10.971  -3.874  -3.874
   64    HD1  PHE  10           HD2      PHE  10  -7.726  -3.486  -3.486
   65    HD2  PHE  10           HD1      PHE  10 -10.380  -1.756  -1.756
   66    HE1  PHE  10           HE2      PHE  10  -6.362  -1.431  -1.431
   67    HE2  PHE  10           HE1      PHE  10  -8.953   0.281   0.281
   68    HZ   PHE  10           HZ       PHE  10  -7.026   0.498   0.498
   69    H    ASN  11           H        ASN  11 -11.064  -6.071  -6.071
   70    HA   ASN  11           HA       ASN  11 -11.391  -4.035  -4.035
   71   1HB   ASN  11          1HB       ASN  11 -12.825  -6.011  -6.011
   72   2HB   ASN  11          2HB       ASN  11 -11.467  -7.053  -7.053
   73   1HD2  ASN  11          1HD2      ASN  11 -11.972  -6.457  -6.457
   74   2HD2  ASN  11          2HD2      ASN  11 -11.254  -7.461  -7.461
   75    H    LYS  12           HN       LYS  12  -8.690  -6.310  -6.310
   76    HA   LYS  12           HA       LYS  12  -7.483  -5.701  -5.701
   77   1HB   LYS  12          1HB       LYS  12  -6.435  -7.044  -7.044
   78   2HB   LYS  12          2HB       LYS  12  -5.491  -6.825  -6.825
   79   1HG   LYS  12          1HG       LYS  12  -7.193  -8.021  -8.021
   80   2HG   LYS  12          2HG       LYS  12  -8.189  -8.268  -8.268
   81   1HD   LYS  12          2HD       LYS  12  -5.353  -9.357  -9.357
   82   2HD   LYS  12          1HD       LYS  12  -6.826 -10.240 -10.240
   83   1HE   LYS  12          2HE       LYS  12  -7.645  -9.931  -9.931
   84   2HE   LYS  12          1HE       LYS  12  -6.044  -9.288  -9.288
   85   1HZ   LYS  12          1HZ       LYS  12  -5.115 -11.374 -11.374
   86   2HZ   LYS  12          2HZ       LYS  12  -6.617 -11.952 -11.952
   87   3HZ   LYS  12          3HZ       LYS  12  -6.214 -11.617 -11.617
   88    H    CYS  13           H        CYS  13  -6.790  -4.767  -4.767
   89    HA   CYS  13           HA       CYS  13  -4.728  -2.961  -2.961
   90   1HB   CYS  13          1HB       CYS  13  -6.929  -2.637  -2.637
   91   2HB   CYS  13          2HB       CYS  13  -5.307  -1.933  -1.933
   92    H    LYS  14           HN       LYS  14  -8.245  -2.215  -2.215
   93    HA   LYS  14           HA       LYS  14  -8.017   0.534   0.534
   94   1HB   LYS  14          2HB       LYS  14 -10.296   0.627   0.627
   95   2HB   LYS  14          1HB       LYS  14 -10.083  -0.742  -0.742
   96   1HG   LYS  14          2HG       LYS  14 -11.368  -1.774  -1.774
   97   2HG   LYS  14          1HG       LYS  14  -9.781  -2.058  -2.058
   98   1HD   LYS  14          1HD       LYS  14 -10.203   0.018   0.018
   99   2HD   LYS  14          2HD       LYS  14 -11.792   0.135   0.135
  100   1HE   LYS  14          2HE       LYS  14 -11.973  -0.966  -0.966
  101   2HE   LYS  14          1HE       LYS  14 -12.361  -2.133  -2.133
  102   1HZ   LYS  14          2HZ       LYS  14  -9.744  -1.915  -1.915
  103   2HZ   LYS  14          1HZ       LYS  14 -10.914  -3.018  -3.018
  104   3HZ   LYS  14          3HZ       LYS  14 -10.185  -3.046  -3.046
  105    H    THR  15           H        THR  15  -7.219  -1.782  -1.782
  106    HA   THR  15           HA       THR  15  -7.684  -0.209  -0.209
  107    HB   THR  15           HB       THR  15  -5.490  -2.279  -2.279
  108    HG1  THR  15           HG1      THR  15  -7.311  -3.287  -3.287
  109   1HG2  THR  15          1HG2      THR  15  -7.088  -1.433  -1.433
  110   2HG2  THR  15          3HG2      THR  15  -5.930  -2.776  -2.776
  111   3HG2  THR  15          2HG2      THR  15  -5.362  -1.112  -1.112
  112    H    CYS  16           H        CYS  16  -5.247  -0.023  -0.023
  113    HA   CYS  16           HA       CYS  16  -3.849   2.157   2.157
  114   1HB   CYS  16          1HB       CYS  16  -2.735   0.198   0.198
  115   2HB   CYS  16          2HB       CYS  16  -1.883   1.639   1.639
  116    H    HIS  17           HN       HIS  17  -5.030   1.007   1.007
  117    HA   HIS  17           HA       HIS  17  -4.443   3.663   3.663
  118   1HB   HIS  17          2HB       HIS  17  -5.207   0.961   0.961
  119   2HB   HIS  17          1HB       HIS  17  -4.898   2.387   2.387
  120    HD1  HIS  17           HD1      HIS  17  -2.605   3.331   3.331
  121    HD2  HIS  17           HD2      HIS  17  -2.683  -0.296  -0.296
  122    HE1  HIS  17           HE1      HIS  17  -0.314   2.315   2.315
  123    H    SER  18           H        SER  18  -6.087   3.860   3.860
  124    HA   SER  18           HA       SER  18  -8.914   3.417   3.417
  125   1HB   SER  18          2HB       SER  18  -8.626   5.470   5.470
  126   2HB   SER  18          1HB       SER  18  -7.575   6.146   6.146
  127    HG   SER  18           HG       SER  18 -10.376   5.655   5.655
  128    H    ILE  19           H        ILE  19 -10.276   4.321   4.321
  129    HA   ILE  19           HA       ILE  19  -8.955   4.373   4.373
  130    HB   ILE  19           HB       ILE  19 -11.404   2.663   2.663
  131   1HG1  ILE  19          2HG1      ILE  19  -8.543   1.808   1.808
  132   2HG1  ILE  19          1HG1      ILE  19  -9.382   1.573   1.573
  133   1HG2  ILE  19          3HG2      ILE  19 -11.186   3.821   3.821
  134   2HG2  ILE  19          1HG2      ILE  19  -9.759   2.791   2.791
  135   3HG2  ILE  19          2HG2      ILE  19 -11.362   2.074   2.074
  136   1HD1  ILE  19          1HD1      ILE  19 -11.099   0.186   0.186
  137   2HD1  ILE  19          3HD1      ILE  19 -10.148   0.289   0.289
  138   3HD1  ILE  19          2HD1      ILE  19  -9.467  -0.496  -0.496
  139    H    ILE  20           H        ILE  20  -9.683   6.223   6.223
  140    HA   ILE  20           HA       ILE  20 -12.356   7.264   7.264
  141    HB   ILE  20           HB       ILE  20 -10.614   8.105   8.105
  142   1HG1  ILE  20          1HG1      ILE  20 -11.521  10.595  10.595
  143   2HG1  ILE  20          2HG1      ILE  20 -12.797   9.417   9.417
  144   1HG2  ILE  20          2HG2      ILE  20  -8.744   8.387   8.387
  145   2HG2  ILE  20          1HG2      ILE  20  -9.591   9.796   9.796
  146   3HG2  ILE  20          3HG2      ILE  20  -9.036   9.805   9.805
  147   1HD1  ILE  20          3HD1      ILE  20 -12.156   9.226   9.226
  148   2HD1  ILE  20          1HD1      ILE  20 -10.871  10.425  10.425
  149   3HD1  ILE  20          2HD1      ILE  20 -12.577  10.894  10.894
  150    H    ALA  21           H        ALA  21 -13.244   8.285   8.285
  151    HA   ALA  21           HA       ALA  21 -11.880   7.985   7.985
  152   1HB   ALA  21          2HB       ALA  21 -14.360   7.810   7.810
  153   2HB   ALA  21          1HB       ALA  21 -14.406   9.540   9.540
  154   3HB   ALA  21          3HB       ALA  21 -13.925   9.025   9.025
  155    HA   PRO  22           HA       PRO  22  -9.807  11.924  11.924
  156   1HB   PRO  22          2HB       PRO  22 -11.420  12.498  12.498
  157   2HB   PRO  22          1HB       PRO  22  -9.658  12.660  12.660
  158   1HG   PRO  22          1HG       PRO  22 -10.626  10.507  10.507
  159   2HG   PRO  22          2HG       PRO  22  -9.381  10.261  10.261
  160   1HD   PRO  22          1HD       PRO  22 -12.382   9.947   9.947
  161   2HD   PRO  22          2HD       PRO  22 -11.089   8.831   8.831
  162    H    ASP  23           HN       ASP  23 -13.262  12.013  12.013
  163    HA   ASP  23           HA       ASP  23 -13.856  14.644  14.644
  164   1HB   ASP  23          1HB       ASP  23 -15.706  12.230  12.230
  165   2HB   ASP  23          2HB       ASP  23 -16.164  13.915  13.915
  166    H    GLY  24           H        GLY  24 -12.689  12.384  12.384
  167   1HA   GLY  24          1HA       GLY  24 -12.599  12.641  12.641
  168   2HA   GLY  24          2HA       GLY  24 -13.886  13.845  13.845
  169    H    THR  25           H        THR  25 -15.248  11.442  11.442
  170    HA   THR  25           HA       THR  25 -16.973  10.544  10.544
  171    HB   THR  25           HB       THR  25 -16.469   9.052   9.052
  172    HG1  THR  25           HG1      THR  25 -17.663  11.601  11.601
  173   1HG2  THR  25          3HG2      THR  25 -18.264   8.239   8.239
  174   2HG2  THR  25          2HG2      THR  25 -19.016   9.851   9.851
  175   3HG2  THR  25          1HG2      THR  25 -18.916   8.892   8.892
  176    H    GLU  26           HN       GLU  26 -16.103   9.445   9.445
  177    HA   GLU  26           HA       GLU  26 -13.857   7.712   7.712
  178   1HB   GLU  26          1HB       GLU  26 -14.187   7.278   7.278
  179   2HB   GLU  26          2HB       GLU  26 -14.478   8.974   8.974
  180   1HG   GLU  26          2HG       GLU  26 -16.184   8.538   8.538
  181   2HG   GLU  26          1HG       GLU  26 -17.017   8.371   8.371
  182    H    ILE  27           H        ILE  27 -13.666   5.648   5.648
  183    HA   ILE  27           HA       ILE  27 -16.091   4.009   4.009
  184    HB   ILE  27           HB       ILE  27 -13.120   3.656   3.656
  185   1HG1  ILE  27          2HG1      ILE  27 -13.698   3.345   3.345
  186   2HG1  ILE  27          1HG1      ILE  27 -15.434   3.451   3.451
  187   1HG2  ILE  27          3HG2      ILE  27 -15.307   1.557   1.557
  188   2HG2  ILE  27          1HG2      ILE  27 -13.695   1.403   1.403
  189   3HG2  ILE  27          2HG2      ILE  27 -13.863   1.471   1.471
  190   1HD1  ILE  27          3HD1      ILE  27 -13.442   5.713   5.713
  191   2HD1  ILE  27          1HD1      ILE  27 -14.397   5.494   5.494
  192   3HD1  ILE  27          2HD1      ILE  27 -15.227   5.812   5.812
  193    H    VAL  28           H        VAL  28 -13.161   4.279   4.279
  194    HA   VAL  28           HA       VAL  28 -14.686   3.229   3.229
  195    HB   VAL  28           HB       VAL  28 -13.830   1.136   1.136
  196   1HG1  VAL  28          2HG2      VAL  28 -11.493   2.045   2.045
  197   2HG1  VAL  28          3HG2      VAL  28 -11.131   1.824   1.824
  198   3HG1  VAL  28          1HG2      VAL  28 -11.592   0.434   0.434
  199   1HG2  VAL  28          2HG1      VAL  28 -14.588   1.225   1.225
  200   2HG2  VAL  28          3HG1      VAL  28 -13.216   0.117   0.117
  201   3HG2  VAL  28          1HG1      VAL  28 -12.969   1.728   1.728
  202    H    LYS  29           HN       LYS  29 -14.423   4.962   4.962
  203    HA   LYS  29           HA       LYS  29 -12.027   6.531   6.531
  204   1HB   LYS  29          2HB       LYS  29 -13.246   7.701   7.701
  205   2HB   LYS  29          1HB       LYS  29 -14.129   7.587   7.587
  206   1HG   LYS  29          1HG       LYS  29 -15.553   5.771   5.771
  207   2HG   LYS  29          2HG       LYS  29 -14.638   5.832   5.832
  208   1HD   LYS  29          2HD       LYS  29 -15.365   8.153   8.153
  209   2HD   LYS  29          1HD       LYS  29 -16.157   8.186   8.186
  210   1HE   LYS  29          1HE       LYS  29 -17.823   7.843   7.843
  211   2HE   LYS  29          2HE       LYS  29 -17.728   6.415   6.415
  212   1HZ   LYS  29          3HZ       LYS  29 -16.439   6.705   6.705
  213   2HZ   LYS  29          2HZ       LYS  29 -17.816   5.854   5.854
  214   3HZ   LYS  29          1HZ       LYS  29 -16.385   5.363   5.363
  215    H    GLY  30           H        GLY  30 -10.887   4.257   4.257
  216   1HA   GLY  30          1HA       GLY  30 -10.776   3.238   3.238
  217   2HA   GLY  30          2HA       GLY  30  -9.672   2.885   2.885
  218    H    ALA  31           H        ALA  31  -8.115   3.098   3.098
  219    HA   ALA  31           HA       ALA  31  -7.698   5.740   5.740
  220   1HB   ALA  31          2HB       ALA  31  -7.048   3.657   3.657
  221   2HB   ALA  31          3HB       ALA  31  -5.852   3.342   3.342
  222   3HB   ALA  31          1HB       ALA  31  -5.663   4.749   4.749
  223    H    LYS  32           HN       LYS  32  -5.483   6.801   6.801
  224    HA   LYS  32           HA       LYS  32  -4.569   6.885   6.885
  225   1HB   LYS  32          2HB       LYS  32  -4.723   9.203   9.203
  226   2HB   LYS  32          1HB       LYS  32  -4.220   9.268   9.268
  227   1HG   LYS  32          1HG       LYS  32  -7.019   8.609   8.609
  228   2HG   LYS  32          2HG       LYS  32  -6.491  10.140  10.140
  229   1HD   LYS  32          2HD       LYS  32  -5.962   8.959   8.959
  230   2HD   LYS  32          1HD       LYS  32  -6.604   7.461   7.461
  231   1HE   LYS  32          1HE       LYS  32  -8.171  10.036  10.036
  232   2HE   LYS  32          2HE       LYS  32  -8.275   8.555   8.555
  233   1HZ   LYS  32          3HZ       LYS  32  -9.029   7.418   7.418
  234   2HZ   LYS  32          2HZ       LYS  32  -9.038   8.851   8.851
  235   3HZ   LYS  32          1HZ       LYS  32 -10.043   8.626   8.626
  236    H    THR  33           H        THR  33  -3.611   5.127   5.127
  237    HA   THR  33           HA       THR  33  -1.166   6.210   6.210
  238    HB   THR  33           HB       THR  33  -1.808   3.286   3.286
  239    HG1  THR  33           HG1      THR  33  -2.998   3.380   3.380
  240   1HG2  THR  33          1HG2      THR  33   0.403   3.881   3.881
  241   2HG2  THR  33          2HG2      THR  33  -0.415   4.750   4.750
  242   3HG2  THR  33          3HG2      THR  33  -0.606   2.991   2.991
  243    H    GLY  34           H        GLY  34  -2.246   4.259   4.259
  244   1HA   GLY  34          1HA       GLY  34   0.365   4.730   4.730
  245   2HA   GLY  34          2HA       GLY  34  -0.773   3.415   3.415
  246    HA   PRO  35           HA       PRO  35  -1.778   7.421   7.421
  247   1HB   PRO  35          2HB       PRO  35  -1.183   6.445   6.445
  248   2HB   PRO  35          1HB       PRO  35  -0.007   7.264   7.264
  249   1HG   PRO  35          2HG       PRO  35  -0.458   4.292   4.292
  250   2HG   PRO  35          1HG       PRO  35   1.081   5.197   5.197
  251   1HD   PRO  35          1HD       PRO  35   0.504   4.073   4.073
  252   2HD   PRO  35          2HD       PRO  35   1.044   5.752   5.752
  253    H    ASN  36           H        ASN  36  -3.330   7.463   7.463
  254    HA   ASN  36           HA       ASN  36  -5.581   5.676   5.676
  255   1HB   ASN  36          1HB       ASN  36  -5.169   8.372   8.372
  256   2HB   ASN  36          2HB       ASN  36  -6.141   7.396   7.396
  257   1HD2  ASN  36          1HD2      ASN  36  -8.759   6.898   6.898
  258   2HD2  ASN  36          2HD2      ASN  36  -7.993   6.145   6.145
  259    H    LEU  37           H        LEU  37  -5.574   3.732   3.732
  260    HA   LEU  37           HA       LEU  37  -3.613   3.238   3.238
  261   1HB   LEU  37          2HB       LEU  37  -5.780   1.473   1.473
  262   2HB   LEU  37          1HB       LEU  37  -4.564   0.921   0.921
  263    HG   LEU  37           HG       LEU  37  -3.915   2.138   2.138
  264   1HD1  LEU  37          3HD1      LEU  37  -3.914  -0.758  -0.758
  265   2HD1  LEU  37          1HD1      LEU  37  -3.172  -0.200  -0.200
  266   3HD1  LEU  37          2HD1      LEU  37  -4.902  -0.045  -0.045
  267   1HD2  LEU  37          3HD2      LEU  37  -2.164   0.868   0.868
  268   2HD2  LEU  37          2HD2      LEU  37  -2.034   2.528   2.528
  269   3HD2  LEU  37          1HD2      LEU  37  -1.641   1.143   1.143
  270    H    TYR  38           H        TYR  38  -6.784   4.428   4.428
  271    HA   TYR  38           HA       TYR  38  -7.672   3.273   3.273
  272   1HB   TYR  38          1HB       TYR  38  -9.004   4.837   4.837
  273   2HB   TYR  38          2HB       TYR  38  -7.908   6.149   6.149
  274    HD1  TYR  38           HD1      TYR  38  -7.797   7.053   7.053
  275    HD2  TYR  38           HD2      TYR  38 -10.831   4.265   4.265
  276    HE1  TYR  38           HE1      TYR  38  -9.020   7.429   7.429
  277    HE2  TYR  38           HE2      TYR  38 -12.153   4.808   4.808
  278    HH   TYR  38           HH       TYR  38 -10.894   6.793   6.793
  279    H    GLY  39           H        GLY  39  -6.475   3.156   3.156
  280   1HA   GLY  39          1HA       GLY  39  -5.452   4.061   4.061
  281   2HA   GLY  39          2HA       GLY  39  -5.365   5.633   5.633
  282    H    VAL  40           H        VAL  40  -3.920   3.045   3.045
  283    HA   VAL  40           HA       VAL  40  -1.286   4.087   4.087
  284    HB   VAL  40           HB       VAL  40  -2.207   1.390   1.390
  285   1HG1  VAL  40          3HG2      VAL  40   0.604   2.572   2.572
  286   2HG1  VAL  40          1HG2      VAL  40   0.147   1.152   1.152
  287   3HG1  VAL  40          2HG2      VAL  40   0.082   1.081   1.081
  288   1HG2  VAL  40          3HG1      VAL  40  -2.567   3.567   3.567
  289   2HG2  VAL  40          1HG1      VAL  40  -1.610   2.294   2.294
  290   3HG2  VAL  40          2HG1      VAL  40  -0.807   3.703   3.703
  291    H    VAL  41           H        VAL  41  -3.036   1.388   1.388
  292    HA   VAL  41           HA       VAL  41  -0.891   0.370   0.370
  293    HB   VAL  41           HB       VAL  41  -3.906   0.411   0.411
  294   1HG1  VAL  41          1HG1      VAL  41  -1.764  -1.275  -1.275
  295   2HG1  VAL  41          3HG1      VAL  41  -3.515  -1.528  -1.528
  296   3HG1  VAL  41          2HG1      VAL  41  -2.792  -0.047  -0.047
  297   1HG2  VAL  41          1HG2      VAL  41  -3.190  -0.794  -0.794
  298   2HG2  VAL  41          3HG2      VAL  41  -3.835  -1.898  -1.898
  299   3HG2  VAL  41          2HG2      VAL  41  -2.083  -1.773  -1.773
  300    H    GLY  42           H        GLY  42   0.313   1.487   1.487
  301   1HA   GLY  42          1HA       GLY  42   0.630   2.556   2.556
  302   2HA   GLY  42          2HA       GLY  42  -0.938   3.357   3.357
  303    H    ARG  43           HN       ARG  43   0.111   3.832   3.832
  304    HA   ARG  43           HA       ARG  43   1.148   6.517   6.517
  305   1HB   ARG  43          2HB       ARG  43  -0.768   6.272   6.272
  306   2HB   ARG  43          1HB       ARG  43   0.232   5.290   5.290
  307   1HG   ARG  43          2HG       ARG  43   0.065   7.468   7.468
  308   2HG   ARG  43          1HG       ARG  43   1.725   7.245   7.245
  309   1HD   ARG  43          2HD       ARG  43   1.199   8.597   8.597
  310   2HD   ARG  43          1HD       ARG  43  -0.461   8.791   8.791
  311    HE   ARG  43           HE       ARG  43   1.487   9.609   9.609
  312   1HH1  ARG  43          2HH2      ARG  43   0.058  10.665  10.665
  313   2HH1  ARG  43          1HH2      ARG  43   0.333  12.361  12.361
  314   1HH2  ARG  43          1HH1      ARG  43   1.842  11.791  11.791
  315   2HH2  ARG  43          2HH1      ARG  43   1.383  13.019  13.019
  316    H    THR  44           H        THR  44   3.137   7.292   7.292
  317    HA   THR  44           HA       THR  44   5.352   5.632   5.632
  318    HB   THR  44           HB       THR  44   4.987   8.511   8.511
  319    HG1  THR  44           HG1      THR  44   5.605   8.924   8.924
  320   1HG2  THR  44          3HG2      THR  44   7.433   6.928   6.928
  321   2HG2  THR  44          1HG2      THR  44   7.407   8.671   8.671
  322   3HG2  THR  44          2HG2      THR  44   7.155   7.513   7.513
  323    H    ALA  45           H        ALA  45   6.272   4.668   4.668
  324    HA   ALA  45           HA       ALA  45   4.679   4.549   4.549
  325   1HB   ALA  45          2HB       ALA  45   6.225   2.768   2.768
  326   2HB   ALA  45          3HB       ALA  45   7.616   3.847   3.847
  327   3HB   ALA  45          1HB       ALA  45   6.565   3.342   3.342
  328    H    GLY  46           H        GLY  46   5.299   5.173   5.173
  329   1HA   GLY  46          1HA       GLY  46   5.743   6.707   6.707
  330   2HA   GLY  46          2HA       GLY  46   7.274   6.933   6.933
  331    H    THR  47           H        THR  47   4.359   7.812   7.812
  332    HA   THR  47           HA       THR  47   4.672  10.674  10.674
  333    HB   THR  47           HB       THR  47   4.852  11.174  11.174
  334    HG1  THR  47           HG1      THR  47   5.658   8.439   8.439
  335   1HG2  THR  47          3HG2      THR  47   6.809  11.308  11.308
  336   2HG2  THR  47          2HG2      THR  47   7.238   9.647   9.647
  337   3HG2  THR  47          1HG2      THR  47   7.231  10.923  10.923
  338    H    TYR  48           H        TYR  48   2.444   8.590   8.590
  339    HA   TYR  48           HA       TYR  48   0.345   9.537   9.537
  340   1HB   TYR  48          2HB       TYR  48   0.320   7.381   7.381
  341   2HB   TYR  48          1HB       TYR  48   0.070   8.327   8.327
  342    HD1  TYR  48           HD2      TYR  48  -1.424   7.184   7.184
  343    HD2  TYR  48           HD1      TYR  48  -2.107   9.406   9.406
  344    HE1  TYR  48           HE2      TYR  48  -3.817   7.270   7.270
  345    HE2  TYR  48           HE1      TYR  48  -4.525   9.495   9.495
  346    HH   TYR  48           HH       TYR  48  -5.884   7.500   7.500
  347    HA   PRO  49           HA       PRO  49   0.050  13.572  13.572
  348   1HB   PRO  49          2HB       PRO  49  -2.940  13.200  13.200
  349   2HB   PRO  49          1HB       PRO  49  -1.951  14.645  14.645
  350   1HG   PRO  49          2HG       PRO  49  -2.706  12.977  12.977
  351   2HG   PRO  49          1HG       PRO  49  -1.017  13.565  13.565
  352   1HD   PRO  49          2HD       PRO  49  -2.092  10.884  10.884
  353   2HD   PRO  49          1HD       PRO  49  -0.615  11.281  11.281
  354    H    GLU  50           HN       GLU  50  -0.588  14.728  14.728
  355    HA   GLU  50           HA       GLU  50  -0.660  14.924  14.924
  356   1HB   GLU  50          1HB       GLU  50  -3.386  13.780  13.780
  357   2HB   GLU  50          2HB       GLU  50  -2.992  14.525  14.525
  358   1HG   GLU  50          2HG       GLU  50  -4.063  16.190  16.190
  359   2HG   GLU  50          1HG       GLU  50  -2.368  16.645  16.645
  360    H    PHE  51           H        PHE  51   1.036  12.961  12.961
  361    HA   PHE  51           HA       PHE  51   0.420  11.582  11.582
  362   1HB   PHE  51          2HB       PHE  51  -0.617  10.046  10.046
  363   2HB   PHE  51          1HB       PHE  51   0.957   9.880   9.880
  364    HD1  PHE  51           HD1      PHE  51  -0.983   9.252   9.252
  365    HD2  PHE  51           HD2      PHE  51   2.762   8.642   8.642
  366    HE1  PHE  51           HE1      PHE  51  -0.212   7.803   7.803
  367    HE2  PHE  51           HE2      PHE  51   3.522   7.161   7.161
  368    HZ   PHE  51           HZ       PHE  51   2.038   6.750   6.750
  369    H    LYS  52           HN       LYS  52   2.205  11.789  11.789
  370    HA   LYS  52           HA       LYS  52   4.778  12.438  12.438
  371   1HB   LYS  52          1HB       LYS  52   3.956  13.714  13.714
  372   2HB   LYS  52          2HB       LYS  52   3.963  12.248  12.248
  373   1HG   LYS  52          2HG       LYS  52   6.415  12.044  12.044
  374   2HG   LYS  52          1HG       LYS  52   6.407  13.460  13.460
  375   1HD   LYS  52          2HD       LYS  52   5.630  14.890  14.890
  376   2HD   LYS  52          1HD       LYS  52   5.481  13.472  13.472
  377   1HE   LYS  52          2HE       LYS  52   7.543  14.687  14.687
  378   2HE   LYS  52          1HE       LYS  52   7.916  13.077  13.077
  379   1HZ   LYS  52          2HZ       LYS  52   7.976  15.576  15.576
  380   2HZ   LYS  52          1HZ       LYS  52   9.291  14.781  14.781
  381   3HZ   LYS  52          3HZ       LYS  52   8.364  14.077  14.077
  382    H    TYR  53           H        TYR  53   5.597  10.590  10.590
  383    HA   TYR  53           HA       TYR  53   5.689   8.021   8.021
  384   1HB   TYR  53          2HB       TYR  53   7.085   8.890   8.890
  385   2HB   TYR  53          1HB       TYR  53   6.879   7.264   7.264
  386    HD1  TYR  53           HD2      TYR  53   5.045  10.069  10.069
  387    HD2  TYR  53           HD1      TYR  53   4.985   5.923   5.923
  388    HE1  TYR  53           HE2      TYR  53   3.150   9.646   9.646
  389    HE2  TYR  53           HE1      TYR  53   3.288   5.456   5.456
  390    HH   TYR  53           HH       TYR  53   2.251   6.306   6.306
  391    H    LYS  54           HN       LYS  54   8.031   7.004   7.004
  392    HA   LYS  54           HA       LYS  54  10.049   8.532   8.532
  393   1HB   LYS  54          2HB       LYS  54  10.222   5.638   5.638
  394   2HB   LYS  54          1HB       LYS  54  11.154   6.478   6.478
  395   1HG   LYS  54          2HG       LYS  54   9.212   6.651   6.651
  396   2HG   LYS  54          1HG       LYS  54   8.163   5.957   5.957
  397   1HD   LYS  54          2HD       LYS  54   8.641   4.203   4.203
  398   2HD   LYS  54          1HD       LYS  54   9.510   3.869   3.869
  399   1HE   LYS  54          1HE       LYS  54  11.618   4.718   4.718
  400   2HE   LYS  54          2HE       LYS  54  10.718   4.994   4.994
  401   1HZ   LYS  54          2HZ       LYS  54  10.229   2.620   2.620
  402   2HZ   LYS  54          1HZ       LYS  54  11.131   2.440   2.440
  403   3HZ   LYS  54          3HZ       LYS  54  11.853   2.914   2.914
  404    H    ASP  55           HN       ASP  55  12.317   7.669   7.669
  405    HA   ASP  55           HA       ASP  55  12.698   8.907   8.907
  406   1HB   ASP  55          2HB       ASP  55  14.292   9.151   9.151
  407   2HB   ASP  55          1HB       ASP  55  14.600   7.401   7.401
  408    H    SER  56           H        SER  56  12.383   5.501   5.501
  409    HA   SER  56           HA       SER  56  14.092   4.299   4.299
  410   1HB   SER  56          2HB       SER  56  12.699   2.297   2.297
  411   2HB   SER  56          1HB       SER  56  13.594   3.242   3.242
  412    HG   SER  56           HG       SER  56  11.519   3.044   3.044
  413    H    ILE  57           H        ILE  57  10.638   4.126   4.126
  414    HA   ILE  57           HA       ILE  57   9.857   3.277   3.277
  415    HB   ILE  57           HB       ILE  57   8.637   3.383   3.383
  416   1HG1  ILE  57          1HG1      ILE  57   6.318   3.860   3.860
  417   2HG1  ILE  57          2HG1      ILE  57   7.161   4.300   4.300
  418   1HG2  ILE  57          2HG2      ILE  57   8.975   5.728   5.728
  419   2HG2  ILE  57          3HG2      ILE  57   7.855   6.196   6.196
  420   3HG2  ILE  57          1HG2      ILE  57   7.288   5.214   5.214
  421   1HD1  ILE  57          3HD1      ILE  57   7.307   1.592   1.592
  422   2HD1  ILE  57          2HD1      ILE  57   6.307   1.994   1.994
  423   3HD1  ILE  57          1HD1      ILE  57   8.070   1.997   1.997
  424    H    VAL  58           H        VAL  58  10.298   6.667   6.667
  425    HA   VAL  58           HA       VAL  58   9.407   7.942   7.942
  426    HB   VAL  58           HB       VAL  58  11.365   8.715   8.715
  427   1HG1  VAL  58          1HG2      VAL  58  10.514  10.395  10.395
  428   2HG1  VAL  58          3HG2      VAL  58  11.265  11.040  11.040
  429   3HG1  VAL  58          2HG2      VAL  58  12.174   9.932   9.932
  430   1HG2  VAL  58          2HG1      VAL  58   8.816   8.603   8.603
  431   2HG2  VAL  58          1HG1      VAL  58   9.585  10.166  10.166
  432   3HG2  VAL  58          3HG1      VAL  58   8.687   9.933   9.933
  433    H    ALA  59           H        ALA  59  12.731   6.847   6.847
  434    HA   ALA  59           HA       ALA  59  13.942   7.610   7.610
  435   1HB   ALA  59          3HB       ALA  59  14.715   5.422   5.422
  436   2HB   ALA  59          2HB       ALA  59  15.760   6.068   6.068
  437   3HB   ALA  59          1HB       ALA  59  15.230   7.118   7.118
  438    H    LEU  60           H        LEU  60  12.427   4.528   4.528
  439    HA   LEU  60           HA       LEU  60  12.997   3.008   3.008
  440   1HB   LEU  60          1HB       LEU  60  11.823   2.363   2.363
  441   2HB   LEU  60          2HB       LEU  60  10.352   2.992   2.992
  442    HG   LEU  60           HG       LEU  60  11.683   0.385   0.385
  443   1HD1  LEU  60          2HD1      LEU  60   9.464   0.717   0.717
  444   2HD1  LEU  60          1HD1      LEU  60   8.889   1.407   1.407
  445   3HD1  LEU  60          3HD1      LEU  60   9.399  -0.292  -0.292
  446   1HD2  LEU  60          3HD2      LEU  60  10.631   1.675   1.675
  447   2HD2  LEU  60          2HD2      LEU  60  12.306   1.148   1.148
  448   3HD2  LEU  60          1HD2      LEU  60  10.998  -0.038  -0.038
  449    H    GLY  61           H        GLY  61  10.167   5.169   5.169
  450   1HA   GLY  61          1HA       GLY  61   8.937   4.956   4.956
  451   2HA   GLY  61          2HA       GLY  61   8.774   6.293   6.293
  452    H    ALA  62           H        ALA  62  11.176   7.417   7.417
  453    HA   ALA  62           HA       ALA  62  11.384   9.083   9.083
  454   1HB   ALA  62          3HB       ALA  62  12.194   9.632   9.632
  455   2HB   ALA  62          2HB       ALA  62  13.529   8.473   8.473
  456   3HB   ALA  62          1HB       ALA  62  13.432   9.911   9.911
  457    H    SER  63           H        SER  63  12.939   5.942   5.942
  458    HA   SER  63           HA       SER  63  14.886   6.214   6.214
  459   1HB   SER  63          1HB       SER  63  13.658   3.662   3.662
  460   2HB   SER  63          2HB       SER  63  15.172   3.829   3.829
  461    HG   SER  63           HG       SER  63  14.610   5.041   5.041
  462    H    GLY  64           H        GLY  64  11.556   6.305   6.305
  463   1HA   GLY  64          1HA       GLY  64  10.416   6.552   6.552
  464   2HA   GLY  64          2HA       GLY  64  11.640   5.614   5.614
  465    H    PHE  65           H        PHE  65   9.982   4.794   4.794
  466    HA   PHE  65           HA       PHE  65   9.033   2.266   2.266
  467   1HB   PHE  65          2HB       PHE  65  10.613   1.931   1.931
  468   2HB   PHE  65          1HB       PHE  65   9.691   2.982   2.982
  469    HD1  PHE  65           HD2      PHE  65   9.416  -0.284  -0.284
  470    HD2  PHE  65           HD1      PHE  65   7.985   2.186   2.186
  471    HE1  PHE  65           HE2      PHE  65   8.124  -2.205  -2.205
  472    HE2  PHE  65           HE1      PHE  65   6.757   0.250   0.250
  473    HZ   PHE  65           HZ       PHE  65   6.880  -1.940  -1.940
  474    H    ALA  66           H        ALA  66   7.029   2.377   2.377
  475    HA   ALA  66           HA       ALA  66   4.916   3.766   3.766
  476   1HB   ALA  66          3HB       ALA  66   4.922   2.658   2.658
  477   2HB   ALA  66          2HB       ALA  66   3.556   3.454   3.454
  478   3HB   ALA  66          1HB       ALA  66   5.031   4.376   4.376
  479    H    TRP  67           H        TRP  67   3.499   2.509   2.509
  480    HA   TRP  67           HA       TRP  67   4.118  -0.262  -0.262
  481   1HB   TRP  67          2HB       TRP  67   1.839   1.566   1.566
  482   2HB   TRP  67          1HB       TRP  67   1.777  -0.158  -0.158
  483    HD1  TRP  67           HD1      TRP  67   2.863   2.946   2.946
  484    HE1  TRP  67           HE1      TRP  67   4.172   2.424   2.424
  485    HE3  TRP  67           HE3      TRP  67   3.822  -2.021  -2.021
  486    HZ2  TRP  67           HZ2      TRP  67   5.464   0.190   0.190
  487    HZ3  TRP  67           HZ3      TRP  67   5.274  -3.263  -3.263
  488    HH2  TRP  67           HH2      TRP  67   6.199  -2.121  -2.121
  489    H    THR  68           H        THR  68   2.855  -2.034  -2.034
  490    HA   THR  68           HA       THR  68   0.757  -1.899  -1.899
  491    HB   THR  68           HB       THR  68   1.591  -3.935  -3.935
  492    HG1  THR  68           HG1      THR  68   4.021  -3.885  -3.885
  493   1HG2  THR  68          1HG2      THR  68   2.492  -1.821  -1.821
  494   2HG2  THR  68          2HG2      THR  68   3.903  -1.961  -1.961
  495   3HG2  THR  68          3HG2      THR  68   3.621  -3.183  -3.183
  496    H    GLU  69           HN       GLU  69  -0.672  -3.838  -3.838
  497    HA   GLU  69           HA       GLU  69  -1.346  -4.447  -4.447
  498   1HB   GLU  69          2HB       GLU  69  -2.874  -6.072  -6.072
  499   2HB   GLU  69          1HB       GLU  69  -2.820  -4.576  -4.576
  500   1HG   GLU  69          1HG       GLU  69  -1.339  -5.694  -5.694
  501   2HG   GLU  69          2HG       GLU  69  -1.519  -7.207  -7.207
  502    H    GLU  70           HN       GLU  70   0.712  -6.075  -6.075
  503    HA   GLU  70           HA       GLU  70   1.228  -8.488  -8.488
  504   1HB   GLU  70          2HB       GLU  70   3.020  -7.031  -7.031
  505   2HB   GLU  70          1HB       GLU  70   3.171  -8.715  -8.715
  506   1HG   GLU  70          1HG       GLU  70   0.878  -9.171  -9.171
  507   2HG   GLU  70          2HG       GLU  70   0.808  -7.515  -7.515
  508    H    ASP  71           HN       ASP  71   3.105  -5.406  -5.406
  509    HA   ASP  71           HA       ASP  71   5.110  -6.200  -6.200
  510   1HB   ASP  71          1HB       ASP  71   4.116  -3.485  -3.485
  511   2HB   ASP  71          2HB       ASP  71   5.468  -3.719  -3.719
  512    H    ILE  72           H        ILE  72   2.007  -4.407  -4.407
  513    HA   ILE  72           HA       ILE  72   2.346  -3.919  -3.919
  514    HB   ILE  72           HB       ILE  72  -0.153  -4.393  -4.393
  515   1HG1  ILE  72          2HG1      ILE  72   0.959  -1.790  -1.790
  516   2HG1  ILE  72          1HG1      ILE  72   1.310  -2.351  -2.351
  517   1HG2  ILE  72          3HG2      ILE  72   0.081  -3.456  -3.456
  518   2HG2  ILE  72          1HG2      ILE  72  -1.394  -3.329  -3.329
  519   3HG2  ILE  72          2HG2      ILE  72  -0.751  -4.912  -4.912
  520   1HD1  ILE  72          3HD1      ILE  72  -1.276  -2.537  -2.537
  521   2HD1  ILE  72          1HD1      ILE  72  -1.351  -1.451  -1.451
  522   3HD1  ILE  72          2HD1      ILE  72  -0.510  -0.949  -0.949
  523    H    ALA  73           H        ALA  73   0.727  -6.658  -6.658
  524    HA   ALA  73           HA       ALA  73   0.004  -8.181  -8.181
  525   1HB   ALA  73          3HB       ALA  73  -0.692  -8.686  -8.686
  526   2HB   ALA  73          2HB       ALA  73   0.961  -9.183  -9.183
  527   3HB   ALA  73          1HB       ALA  73   0.028 -10.108 -10.108
  528    H    THR  74           H        THR  74   3.115  -8.180  -8.180
  529    HA   THR  74           HA       THR  74   4.377 -10.183 -10.183
  530    HB   THR  74           HB       THR  74   5.726  -7.881  -7.881
  531    HG1  THR  74           HG1      THR  74   4.323  -8.946  -8.946
  532   1HG2  THR  74          1HG2      THR  74   7.215  -9.284  -9.284
  533   2HG2  THR  74          3HG2      THR  74   6.629 -10.733 -10.733
  534   3HG2  THR  74          2HG2      THR  74   7.555  -9.509  -9.509
  535    H    TYR  75           H        TYR  75   4.572  -6.596  -6.596
  536    HA   TYR  75           HA       TYR  75   6.249  -6.319  -6.319
  537   1HB   TYR  75          1HB       TYR  75   5.641  -4.483  -4.483
  538   2HB   TYR  75          2HB       TYR  75   3.936  -4.651  -4.651
  539    HD1  TYR  75           HD1      TYR  75   6.802  -4.617  -4.617
  540    HD2  TYR  75           HD2      TYR  75   3.407  -2.531  -2.531
  541    HE1  TYR  75           HE1      TYR  75   7.120  -2.779  -2.779
  542    HE2  TYR  75           HE2      TYR  75   3.822  -0.666  -0.666
  543    HH   TYR  75           HH       TYR  75   5.004   0.102   0.102
  544    H    VAL  76           H        VAL  76   2.624  -6.593  -6.593
  545    HA   VAL  76           HA       VAL  76   2.665  -6.320  -6.320
  546    HB   VAL  76           HB       VAL  76   0.544  -7.531  -7.531
  547   1HG1  VAL  76          1HG1      VAL  76   0.614  -5.069  -5.069
  548   2HG1  VAL  76          2HG1      VAL  76   0.776  -5.187  -5.187
  549   3HG1  VAL  76          3HG1      VAL  76  -0.722  -5.700  -5.700
  550   1HG2  VAL  76          2HG2      VAL  76   0.784  -8.992  -8.992
  551   2HG2  VAL  76          1HG2      VAL  76  -0.679  -7.991  -7.991
  552   3HG2  VAL  76          3HG2      VAL  76   0.699  -7.572  -7.572
  553    H    LYS  77           HN       LYS  77   3.444  -9.095  -9.095
  554    HA   LYS  77           HA       LYS  77   3.523 -10.942 -10.942
  555   1HB   LYS  77          2HB       LYS  77   4.494 -11.325 -11.325
  556   2HB   LYS  77          1HB       LYS  77   4.408 -12.559 -12.559
  557   1HG   LYS  77          1HG       LYS  77   1.934 -12.156 -12.156
  558   2HG   LYS  77          2HG       LYS  77   2.040 -11.128 -11.128
  559   1HD   LYS  77          1HD       LYS  77   2.851 -14.071 -14.071
  560   2HD   LYS  77          2HD       LYS  77   1.339 -13.479 -13.479
  561   1HE   LYS  77          1HE       LYS  77   4.130 -12.862 -12.862
  562   2HE   LYS  77          2HE       LYS  77   3.037 -14.096 -14.096
  563   1HZ   LYS  77          2HZ       LYS  77   2.446 -11.228 -11.228
  564   2HZ   LYS  77          3HZ       LYS  77   2.900 -12.078 -12.078
  565   3HZ   LYS  77          1HZ       LYS  77   1.457 -12.400 -12.400
  566    H    ASP  78           HN       ASP  78   5.560  -8.516  -8.516
  567    HA   ASP  78           HA       ASP  78   8.016  -9.593  -9.593
  568   1HB   ASP  78          1HB       ASP  78   7.741  -8.630  -8.630
  569   2HB   ASP  78          2HB       ASP  78   9.283  -8.873  -8.873
  570    HA   PRO  79           HA       PRO  79   7.084  -4.977  -4.977
  571   1HB   PRO  79          2HB       PRO  79   7.086  -4.960  -4.960
  572   2HB   PRO  79          1HB       PRO  79   5.638  -5.180  -5.180
  573   1HG   PRO  79          1HG       PRO  79   7.395  -7.341  -7.341
  574   2HG   PRO  79          2HG       PRO  79   5.619  -7.195  -7.195
  575   1HD   PRO  79          1HD       PRO  79   6.712  -8.825  -8.825
  576   2HD   PRO  79          2HD       PRO  79   5.375  -7.737  -7.737
  577    H    GLY  80           H        GLY  80   8.785  -3.610  -3.610
  578   1HA   GLY  80          1HA       GLY  80  10.965  -2.870  -2.870
  579   2HA   GLY  80          2HA       GLY  80  11.194  -4.256  -4.256
  580    H    ALA  81           H        ALA  81  11.157  -6.420  -6.420
  581    HA   ALA  81           HA       ALA  81  13.490  -6.779  -6.779
  582   1HB   ALA  81          3HB       ALA  81  10.909  -8.383  -8.383
  583   2HB   ALA  81          1HB       ALA  81  12.487  -8.939  -8.939
  584   3HB   ALA  81          2HB       ALA  81  12.256  -8.607  -8.607
  585    H    PHE  82           H        PHE  82  10.193  -6.260  -6.260
  586    HA   PHE  82           HA       PHE  82  10.819  -6.428  -6.428
  587   1HB   PHE  82          2HB       PHE  82   8.563  -6.287  -6.287
  588   2HB   PHE  82          1HB       PHE  82   8.831  -4.597  -4.597
  589    HD1  PHE  82           HD2      PHE  82   9.019  -2.869  -2.869
  590    HD2  PHE  82           HD1      PHE  82   8.027  -6.986  -6.986
  591    HE1  PHE  82           HE2      PHE  82   8.561  -2.289  -2.289
  592    HE2  PHE  82           HE1      PHE  82   7.454  -6.359  -6.359
  593    HZ   PHE  82           HZ       PHE  82   7.858  -4.048  -4.048
  594    H    LEU  83           H        LEU  83  10.913  -3.416  -3.416
  595    HA   LEU  83           HA       LEU  83  11.723  -1.645  -1.645
  596   1HB   LEU  83          2HB       LEU  83  12.164  -1.656  -1.656
  597   2HB   LEU  83          1HB       LEU  83  12.517  -0.369  -0.369
  598    HG   LEU  83           HG       LEU  83  10.051  -0.395  -0.395
  599   1HD1  LEU  83          2HD2      LEU  83   9.871  -1.838  -1.838
  600   2HD1  LEU  83          3HD2      LEU  83   8.539  -0.963  -0.963
  601   3HD1  LEU  83          1HD2      LEU  83   9.227  -2.385  -2.385
  602   1HD2  LEU  83          1HD1      LEU  83  11.066   0.440   0.440
  603   2HD2  LEU  83          2HD1      LEU  83  11.227   1.396   1.396
  604   3HD2  LEU  83          3HD1      LEU  83   9.629   1.134   1.134
  605    H    LYS  84           HN       LYS  84  13.465  -3.461  -3.461
  606    HA   LYS  84           HA       LYS  84  16.032  -2.517  -2.517
  607   1HB   LYS  84          2HB       LYS  84  15.151  -5.226  -5.226
  608   2HB   LYS  84          1HB       LYS  84  16.802  -4.592  -4.592
  609   1HG   LYS  84          1HG       LYS  84  16.110  -2.753  -2.753
  610   2HG   LYS  84          2HG       LYS  84  14.400  -3.100  -3.100
  611   1HD   LYS  84          2HD       LYS  84  14.743  -5.341  -5.341
  612   2HD   LYS  84          1HD       LYS  84  16.402  -4.841  -4.841
  613   1HE   LYS  84          2HE       LYS  84  13.824  -3.499  -3.499
  614   2HE   LYS  84          1HE       LYS  84  14.928  -4.478  -4.478
  615   1HZ   LYS  84          3HZ       LYS  84  16.626  -2.806  -2.806
  616   2HZ   LYS  84          2HZ       LYS  84  15.531  -1.898  -1.898
  617   3HZ   LYS  84          1HZ       LYS  84  15.316  -2.177  -2.177
  618    H    GLU  85           HN       GLU  85  14.360  -5.310  -5.310
  619    HA   GLU  85           HA       GLU  85  16.476  -6.123  -6.123
  620   1HB   GLU  85          2HB       GLU  85  14.567  -7.546  -7.546
  621   2HB   GLU  85          1HB       GLU  85  13.446  -6.443  -6.443
  622   1HG   GLU  85          2HG       GLU  85  14.583  -6.880  -6.880
  623   2HG   GLU  85          1HG       GLU  85  15.708  -7.966  -7.966
  624    H    LYS  86           HN       LYS  86  13.458  -4.332  -4.332
  625    HA   LYS  86           HA       LYS  86  14.317  -3.819  -3.819
  626   1HB   LYS  86          2HB       LYS  86  12.405  -2.181  -2.181
  627   2HB   LYS  86          1HB       LYS  86  12.544  -2.106  -2.106
  628   1HG   LYS  86          1HG       LYS  86  11.618  -4.510  -4.510
  629   2HG   LYS  86          2HG       LYS  86  10.641  -3.439  -3.439
  630   1HD   LYS  86          1HD       LYS  86  11.981  -4.178  -4.178
  631   2HD   LYS  86          2HD       LYS  86  12.771  -5.388  -5.388
  632   1HE   LYS  86          1HE       LYS  86   9.780  -5.204  -5.204
  633   2HE   LYS  86          2HE       LYS  86  10.911  -6.385  -6.385
  634   1HZ   LYS  86          3HZ       LYS  86  11.313  -7.185  -7.185
  635   2HZ   LYS  86          2HZ       LYS  86  10.233  -6.099  -6.099
  636   3HZ   LYS  86          1HZ       LYS  86   9.718  -7.290  -7.290
  637    H    LEU  87           H        LEU  87  14.849  -1.759  -1.759
  638    HA   LEU  87           HA       LEU  87  16.186   0.263   0.263
  639   1HB   LEU  87          2HB       LEU  87  14.644   0.810   0.810
  640   2HB   LEU  87          1HB       LEU  87  15.788   0.056   0.056
  641    HG   LEU  87           HG       LEU  87  17.455   1.796   1.796
  642   1HD1  LEU  87          1HD1      LEU  87  15.373   2.909   2.909
  643   2HD1  LEU  87          3HD1      LEU  87  16.792   3.802   3.802
  644   3HD1  LEU  87          2HD1      LEU  87  17.012   2.356   2.356
  645   1HD2  LEU  87          3HD2      LEU  87  15.746   2.134   2.134
  646   2HD2  LEU  87          2HD2      LEU  87  16.294   3.652   3.652
  647   3HD2  LEU  87          1HD2      LEU  87  14.714   2.971   2.971
  648    H    ASP  88           HN       ASP  88  17.153  -2.711  -2.711
  649    HA   ASP  88           HA       ASP  88  19.022  -3.653  -3.653
  650   1HB   ASP  88          1HB       ASP  88  19.595  -3.238  -3.238
  651   2HB   ASP  88          2HB       ASP  88  20.299  -1.675  -1.675
  652    H    ASP  89           HN       ASP  89  18.069  -2.001  -2.001
  653    HA   ASP  89           HA       ASP  89  20.469  -0.790  -0.790
  654   1HB   ASP  89          1HB       ASP  89  19.321   1.020   1.020
  655   2HB   ASP  89          2HB       ASP  89  17.755   0.497   0.497
  656    H    LYS  90           HN       LYS  90  20.847  -1.988  -1.988
  657    HA   LYS  90           HA       LYS  90  19.235  -3.735  -3.735
  658   1HB   LYS  90          1HB       LYS  90  21.870  -2.209  -2.209
  659   2HB   LYS  90          2HB       LYS  90  21.272  -3.214  -3.214
  660   1HG   LYS  90          1HG       LYS  90  22.829  -4.502  -4.502
  661   2HG   LYS  90          2HG       LYS  90  21.212  -5.193  -5.193
  662   1HD   LYS  90          1HD       LYS  90  22.170  -5.338  -5.338
  663   2HD   LYS  90          2HD       LYS  90  20.874  -4.165  -4.165
  664   1HE   LYS  90          1HE       LYS  90  22.728  -2.340  -2.340
  665   2HE   LYS  90          2HE       LYS  90  23.889  -3.665  -3.665
  666   1HZ   LYS  90          1HZ       LYS  90  22.895  -4.199  -4.199
  667   2HZ   LYS  90          2HZ       LYS  90  21.921  -2.875  -2.875
  668   3HZ   LYS  90          3HZ       LYS  90  23.547  -2.690  -2.690
  669    H    LYS  91           HN       LYS  91  19.602  -0.203  -0.203
  670    HA   LYS  91           HA       LYS  91  18.301  -0.239  -0.239
  671   1HB   LYS  91          1HB       LYS  91  19.521   2.074   2.074
  672   2HB   LYS  91          2HB       LYS  91  18.978   2.111   2.111
  673   1HG   LYS  91          2HG       LYS  91  20.705   0.407   0.407
  674   2HG   LYS  91          1HG       LYS  91  21.287   0.438   0.438
  675   1HD   LYS  91          2HD       LYS  91  21.757   2.865   2.865
  676   2HD   LYS  91          1HD       LYS  91  21.216   2.833   2.833
  677   1HE   LYS  91          2HE       LYS  91  23.012   1.201   1.201
  678   2HE   LYS  91          1HE       LYS  91  23.544   1.214   1.214
  679   1HZ   LYS  91          3HZ       LYS  91  24.031   3.536   3.536
  680   2HZ   LYS  91          2HZ       LYS  91  23.538   3.528   3.528
  681   3HZ   LYS  91          1HZ       LYS  91  24.860   2.655   2.655
  682    H    ALA  92           H        ALA  92  17.085  -0.483  -0.483
  683    HA   ALA  92           HA       ALA  92  15.163   1.696   1.696
  684   1HB   ALA  92          3HB       ALA  92  15.963   0.641   0.641
  685   2HB   ALA  92          1HB       ALA  92  15.029  -0.811  -0.811
  686   3HB   ALA  92          2HB       ALA  92  14.207   0.744   0.744
  687    H    LYS  93           HN       LYS  93  14.508   1.281   1.281
  688    HA   LYS  93           HA       LYS  93  12.794  -1.082  -1.082
  689   1HB   LYS  93          1HB       LYS  93  14.465  -0.438  -0.438
  690   2HB   LYS  93          2HB       LYS  93  13.694   1.144   1.144
  691   1HG   LYS  93          2HG       LYS  93  13.002  -0.221  -0.221
  692   2HG   LYS  93          1HG       LYS  93  11.602   0.031   0.031
  693   1HD   LYS  93          1HD       LYS  93  12.031  -2.304  -2.304
  694   2HD   LYS  93          2HD       LYS  93  13.362  -2.461  -2.461
  695   1HE   LYS  93          1HE       LYS  93  11.470  -3.573  -3.573
  696   2HE   LYS  93          2HE       LYS  93  11.661  -2.064  -2.064
  697   1HZ   LYS  93          3HZ       LYS  93   9.912  -1.134  -1.134
  698   2HZ   LYS  93          2HZ       LYS  93   9.740  -2.593  -2.593
  699   3HZ   LYS  93          1HZ       LYS  93   9.396  -2.437  -2.437
  700    H    THR  94           H        THR  94  10.612  -0.999  -0.999
  701    HA   THR  94           HA       THR  94   9.264   1.526   1.526
  702    HB   THR  94           HB       THR  94   8.623  -0.490  -0.490
  703    HG1  THR  94           HG1      THR  94   6.487  -0.183  -0.183
  704   1HG2  THR  94          2HG2      THR  94   9.047  -2.231  -2.231
  705   2HG2  THR  94          1HG2      THR  94   7.668  -1.612  -1.612
  706   3HG2  THR  94          3HG2      THR  94   7.414  -2.342  -2.342
  707    H    GLY  95           H        GLY  95   7.354   2.191   2.191
  708   1HA   GLY  95          1HA       GLY  95   7.494   2.062   2.062
  709   2HA   GLY  95          2HA       GLY  95   6.293   2.909   2.909
  710    H    MET  96           H        MET  96   5.933   0.334   0.334
  711    HA   MET  96           HA       MET  96   3.709  -0.639  -0.639
  712   1HB   MET  96          1HB       MET  96   3.884  -0.526  -0.526
  713   2HB   MET  96          2HB       MET  96   4.969  -1.902  -1.902
  714   1HG   MET  96          1HG       MET  96   3.333  -3.375  -3.375
  715   2HG   MET  96          2HG       MET  96   2.354  -2.109  -2.109
  716   1HE   MET  96          3HE       MET  96   3.661  -2.612  -2.612
  717   2HE   MET  96          2HE       MET  96   3.096  -4.209  -4.209
  718   3HE   MET  96          1HE       MET  96   2.186  -3.320  -3.320
  719    H    ALA  97           H        ALA  97   4.812  -1.240  -1.240
  720    HA   ALA  97           HA       ALA  97   6.266  -3.770  -3.770
  721   1HB   ALA  97          3HB       ALA  97   6.585  -2.013  -2.013
  722   2HB   ALA  97          1HB       ALA  97   4.887  -2.168  -2.168
  723   3HB   ALA  97          2HB       ALA  97   6.014  -3.521  -3.521
  724    H    PHE  98           H        PHE  98   4.330  -4.507  -4.507
  725    HA   PHE  98           HA       PHE  98   2.669  -6.389  -6.389
  726   1HB   PHE  98          1HB       PHE  98   1.070  -4.675  -4.675
  727   2HB   PHE  98          2HB       PHE  98   1.612  -3.848  -3.848
  728    HD1  PHE  98           HD2      PHE  98   0.941  -4.502  -4.502
  729    HD2  PHE  98           HD1      PHE  98  -0.532  -6.627  -6.627
  730    HE1  PHE  98           HE2      PHE  98  -0.648  -5.695  -5.695
  731    HE2  PHE  98           HE1      PHE  98  -2.184  -7.784  -7.784
  732    HZ   PHE  98           HZ       PHE  98  -2.291  -7.297  -7.297
  733    H    LYS  99           HN       LYS  99   1.872  -7.999  -7.999
  734    HA   LYS  99           HA       LYS  99   2.417  -7.655  -7.655
  735   1HB   LYS  99          2HB       LYS  99   3.210 -10.270 -10.270
  736   2HB   LYS  99          1HB       LYS  99   4.274  -8.935  -8.935
  737   1HG   LYS  99          1HG       LYS  99   4.737  -8.670  -8.670
  738   2HG   LYS  99          2HG       LYS  99   3.740 -10.122 -10.122
  739   1HD   LYS  99          2HD       LYS  99   5.241 -11.332 -11.332
  740   2HD   LYS  99          1HD       LYS  99   6.267  -9.903  -9.903
  741   1HE   LYS  99          1HE       LYS  99   5.671 -11.568 -11.568
  742   2HE   LYS  99          2HE       LYS  99   7.161 -11.627 -11.627
  743   1HZ   LYS  99          2HZ       LYS  99   7.534  -9.329  -9.329
  744   2HZ   LYS  99          1HZ       LYS  99   6.165  -9.285  -9.285
  745   3HZ   LYS  99          3HZ       LYS  99   7.422 -10.250 -10.250
  746    H    LEU 100           H        LEU 100   1.303  -9.331  -9.331
  747    HA   LEU 100           HA       LEU 100  -1.052 -10.484 -10.484
  748   1HB   LEU 100          1HB       LEU 100  -1.597  -8.653  -8.653
  749   2HB   LEU 100          2HB       LEU 100  -0.727  -9.443  -9.443
  750    HG   LEU 100           HG       LEU 100  -2.270 -11.215 -11.215
  751   1HD1  LEU 100          3HD2      LEU 100  -3.544 -10.232 -10.232
  752   2HD1  LEU 100          1HD2      LEU 100  -4.263 -11.441 -11.441
  753   3HD1  LEU 100          2HD2      LEU 100  -2.752 -11.807 -11.807
  754   1HD2  LEU 100          3HD1      LEU 100  -3.022  -8.996  -8.996
  755   2HD2  LEU 100          2HD1      LEU 100  -4.370 -10.081 -10.081
  756   3HD2  LEU 100          1HD1      LEU 100  -3.948  -8.752  -8.752
  757    H    ALA 101           H        ALA 101  -0.403 -12.537 -12.537
  758    HA   ALA 101           HA       ALA 101   1.477 -13.962 -13.962
  759   1HB   ALA 101          1HB       ALA 101   1.492 -14.200 -14.200
  760   2HB   ALA 101          2HB       ALA 101  -0.168 -14.837 -14.837
  761   3HB   ALA 101          3HB       ALA 101   1.156 -15.754 -15.754
  762    H    LYS 102           HN       LYS 102  -0.117 -13.354 -13.354
  763    HA   LYS 102           HA       LYS 102  -0.928 -14.359 -14.359
  764   1HB   LYS 102          2HB       LYS 102  -2.248 -16.535 -16.535
  765   2HB   LYS 102          1HB       LYS 102  -2.299 -16.382 -16.382
  766   1HG   LYS 102          1HG       LYS 102   0.171 -16.963 -16.963
  767   2HG   LYS 102          2HG       LYS 102  -0.694 -18.080 -18.080
  768   1HD   LYS 102          2HD       LYS 102   0.939 -15.658 -15.658
  769   2HD   LYS 102          1HD       LYS 102   1.350 -17.358 -17.358
  770   1HE   LYS 102          1HE       LYS 102  -0.641 -17.658 -17.658
  771   2HE   LYS 102          2HE       LYS 102  -0.990 -15.925 -15.925
  772   1HZ   LYS 102          3HZ       LYS 102   1.158 -15.480 -15.480
  773   2HZ   LYS 102          2HZ       LYS 102   1.436 -17.095 -17.095
  774   3HZ   LYS 102          1HZ       LYS 102   0.205 -16.356 -16.356
  775    H    GLY 103           H        GLY 103  -2.777 -13.735 -13.735
  776   1HA   GLY 103          1HA       GLY 103  -5.183 -13.157 -13.157
  777   2HA   GLY 103          2HA       GLY 103  -4.836 -12.349 -12.349
  778    H    GLY 104           H        GLY 104  -2.110 -11.547 -11.547
  779   1HA   GLY 104          1HA       GLY 104  -2.511  -8.947  -8.947
  780   2HA   GLY 104          2HA       GLY 104  -1.103  -9.921  -9.921
  781    H    GLU 105           HN       GLU 105  -2.429 -11.758 -11.758
  782    HA   GLU 105           HA       GLU 105  -2.541 -10.302 -10.302
  783   1HB   GLU 105          1HB       GLU 105  -3.542 -12.461 -12.461
  784   2HB   GLU 105          2HB       GLU 105  -1.915 -12.546 -12.546
  785   1HG   GLU 105          2HG       GLU 105  -4.300 -13.290 -13.290
  786   2HG   GLU 105          1HG       GLU 105  -3.681 -14.393 -14.393
  787    H    ASP 106           HN       ASP 106  -5.043 -11.545 -11.545
  788    HA   ASP 106           HA       ASP 106  -7.338 -10.939 -10.939
  789   1HB   ASP 106          1HB       ASP 106  -7.037 -12.549 -12.549
  790   2HB   ASP 106          2HB       ASP 106  -7.250 -11.122 -11.122
  791    H    VAL 107           H        VAL 107  -5.747  -9.285  -9.285
  792    HA   VAL 107           HA       VAL 107  -7.445  -6.982  -6.982
  793    HB   VAL 107           HB       VAL 107  -4.579  -7.302  -7.302
  794   1HG1  VAL 107          2HG1      VAL 107  -6.667  -5.122  -5.122
  795   2HG1  VAL 107          1HG1      VAL 107  -5.261  -5.338  -5.338
  796   3HG1  VAL 107          3HG1      VAL 107  -5.024  -4.927  -4.927
  797   1HG2  VAL 107          2HG2      VAL 107  -6.223  -8.816  -8.816
  798   2HG2  VAL 107          3HG2      VAL 107  -5.668  -7.556  -7.556
  799   3HG2  VAL 107          1HG2      VAL 107  -7.266  -7.421  -7.421
  800    H    ALA 108           H        ALA 108  -4.292  -7.625  -7.625
  801    HA   ALA 108           HA       ALA 108  -3.957  -5.065  -5.065
  802   1HB   ALA 108          1HB       ALA 108  -2.175  -6.743  -6.743
  803   2HB   ALA 108          2HB       ALA 108  -3.047  -7.768  -7.768
  804   3HB   ALA 108          3HB       ALA 108  -2.446  -6.168  -6.168
  805    H    ALA 109           H        ALA 109  -5.648  -7.991  -7.991
  806    HA   ALA 109           HA       ALA 109  -6.449  -6.837  -6.837
  807   1HB   ALA 109          3HB       ALA 109  -6.638  -9.225  -9.225
  808   2HB   ALA 109          1HB       ALA 109  -7.898  -8.911  -8.911
  809   3HB   ALA 109          2HB       ALA 109  -8.206  -8.555  -8.555
  810    H    TYR 110           H        TYR 110  -8.059  -6.808  -6.808
  811    HA   TYR 110           HA       TYR 110 -10.322  -5.307  -5.307
  812   1HB   TYR 110          2HB       TYR 110 -10.363  -6.333  -6.333
  813   2HB   TYR 110          1HB       TYR 110  -8.877  -5.567  -5.567
  814    HD1  TYR 110           HD1      TYR 110 -12.075  -4.198  -4.198
  815    HD2  TYR 110           HD2      TYR 110  -9.354  -4.257  -4.257
  816    HE1  TYR 110           HE1      TYR 110 -13.382  -2.412  -2.412
  817    HE2  TYR 110           HE2      TYR 110 -10.716  -2.535  -2.535
  818    HH   TYR 110           HH       TYR 110 -12.606  -1.223  -1.223
  819    H    LEU 111           H        LEU 111  -7.144  -4.083  -4.083
  820    HA   LEU 111           HA       LEU 111  -7.787  -1.340  -1.340
  821   1HB   LEU 111          1HB       LEU 111  -5.100  -2.733  -2.733
  822   2HB   LEU 111          2HB       LEU 111  -5.311  -0.980  -0.980
  823    HG   LEU 111           HG       LEU 111  -6.230  -2.891  -2.891
  824   1HD1  LEU 111          3HD2      LEU 111  -3.779  -2.794  -2.794
  825   2HD1  LEU 111          1HD2      LEU 111  -3.831  -1.018  -1.018
  826   3HD1  LEU 111          2HD2      LEU 111  -4.331  -1.986  -1.986
  827   1HD2  LEU 111          3HD1      LEU 111  -6.188   0.154   0.154
  828   2HD2  LEU 111          2HD1      LEU 111  -7.611  -0.887  -0.887
  829   3HD2  LEU 111          1HD1      LEU 111  -6.398  -0.759  -0.759
  830    H    ALA 112           H        ALA 112  -6.333  -3.592  -3.592
  831    HA   ALA 112           HA       ALA 112  -6.056  -1.774  -1.774
  832   1HB   ALA 112          1HB       ALA 112  -5.115  -4.063  -4.063
  833   2HB   ALA 112          3HB       ALA 112  -6.744  -4.733  -4.733
  834   3HB   ALA 112          2HB       ALA 112  -6.020  -3.728  -3.728
  835    H    SER 113           H        SER 113  -8.921  -3.549  -3.549
  836    HA   SER 113           HA       SER 113 -10.619  -2.793  -2.793
  837   1HB   SER 113          1HB       SER 113 -11.463  -3.643  -3.643
  838   2HB   SER 113          2HB       SER 113 -12.420  -3.685  -3.685
  839    HG   SER 113           HG       SER 113 -10.014  -5.158  -5.158
  840    H    VAL 114           H        VAL 114  -9.873  -1.395  -1.395
  841    HA   VAL 114           HA       VAL 114 -11.963   0.526   0.526
  842    HB   VAL 114           HB       VAL 114  -9.399   0.003   0.003
  843   1HG1  VAL 114          3HG2      VAL 114 -11.315   2.276   2.276
  844   2HG1  VAL 114          2HG2      VAL 114 -10.094   1.695   1.695
  845   3HG1  VAL 114          1HG2      VAL 114  -9.565   2.385   2.385
  846   1HG2  VAL 114          2HG1      VAL 114 -11.457  -1.436  -1.436
  847   2HG2  VAL 114          3HG1      VAL 114 -10.909  -0.572  -0.572
  848   3HG2  VAL 114          1HG1      VAL 114 -12.315   0.016   0.016
  849    H    VAL 115           H        VAL 115  -8.455   0.827   0.827
  850    HA   VAL 115           HA       VAL 115  -8.371   3.534   3.534
  851    HB   VAL 115           HB       VAL 115  -6.397   2.252   2.252
  852   1HG1  VAL 115          1HG2      VAL 115  -7.184   1.195   1.195
  853   2HG1  VAL 115          2HG2      VAL 115  -5.609   1.003   1.003
  854   3HG1  VAL 115          3HG2      VAL 115  -7.049   0.290   0.290
  855   1HG2  VAL 115          3HG1      VAL 115  -6.463   4.523   4.523
  856   2HG2  VAL 115          2HG1      VAL 115  -5.162   3.448   3.448
  857   3HG2  VAL 115          1HG1      VAL 115  -6.607   3.666   3.666
  858    H    LYS 116           HN       LYS 116  -9.376   4.870   4.870
  859    HA   LYS 116           HA       LYS 116  -9.713   5.122   5.122
  860   1HB   LYS 116          2HB       LYS 116 -12.141   5.275   5.275
  861   2HB   LYS 116          1HB       LYS 116 -11.654   3.661   3.661
  862   1HG   LYS 116          2HG       LYS 116 -12.052   4.542   4.542
  863   2HG   LYS 116          1HG       LYS 116 -12.805   5.924   5.924
  864   1HD   LYS 116          2HD       LYS 116 -14.666   4.636   4.636
  865   2HD   LYS 116          1HD       LYS 116 -14.227   4.045   4.045
  866   1HE   LYS 116          2HE       LYS 116 -13.580   2.755   2.755
  867   2HE   LYS 116          1HE       LYS 116 -14.776   2.178   2.178
  868   1HZ   LYS 116          3HZ       LYS 116 -12.941   1.812   1.812
  869   2HZ   LYS 116          1HZ       LYS 116 -11.872   2.281   2.281
  870   3HZ   LYS 116          2HZ       LYS 116 -12.769   0.925   0.925
  871    HHA  HEC 117           HHA      HEM 117   2.905   2.674   2.674
  872    HHB  HEC 117           HHB      HEM 117  -0.989  -1.639  -1.639
  873    HHC  HEC 117           HHC      HEM 117  -2.472  -3.657  -3.657
  874    HHD  HEC 117           HHD      HEM 117   1.502   0.758   0.758
  875   1HMA  HEC 117          1HMA      HEM 117  -0.010  -0.275  -0.275
  876   2HMA  HEC 117          2HMA      HEM 117   1.703   0.098   0.098
  877   3HMA  HEC 117          3HMA      HEM 117   1.242  -1.511  -1.511
  878   1HAA  HEC 117          1HAA      HEM 117   3.346   1.302   1.302
  879   2HAA  HEC 117          2HAA      HEM 117   3.597   2.313   2.313
  880   1HBA  HEC 117          1HBA      HEM 117   1.509   3.592   3.592
  881   2HBA  HEC 117          2HBA      HEM 117   1.382   2.605   2.605
  882   1HMB  HEC 117          1HMB      HEM 117  -2.663  -2.914  -2.914
  883   2HMB  HEC 117          2HMB      HEM 117  -2.721  -4.566  -4.566
  884   3HMB  HEC 117          3HMB      HEM 117  -4.053  -3.430  -3.430
  885    HAB  HEC 117           HAB      HEM 117  -3.603  -4.824  -4.824
  886   1HBB  HEC 117          1HBB      HEM 117  -2.255  -6.336  -6.336
  887   2HBB  HEC 117          2HBB      HEM 117  -3.961  -6.780  -6.780
  888   3HBB  HEC 117          3HBB      HEM 117  -3.445  -6.052  -6.052
  889   1HMC  HEC 117          1HMC      HEM 117  -2.293  -2.950  -2.950
  890   2HMC  HEC 117          2HMC      HEM 117  -2.172  -4.083  -4.083
  891   3HMC  HEC 117          3HMC      HEM 117  -3.342  -2.749  -2.749
  892    HAC  HEC 117           HAC      HEM 117  -0.614  -1.797  -1.797
  893   1HBC  HEC 117          1HBC      HEM 117   1.656  -0.678  -0.678
  894   2HBC  HEC 117          2HBC      HEM 117   0.744   0.866   0.866
  895   3HBC  HEC 117          3HBC      HEM 117   0.701  -0.339  -0.339
  896   1HMD  HEC 117          1HMD      HEM 117   3.300   2.076   2.076
  897   2HMD  HEC 117          2HMD      HEM 117   2.212   3.447   3.447
  898   3HMD  HEC 117          3HMD      HEM 117   3.902   3.501   3.501
  899   1HAD  HEC 117          1HAD      HEM 117   3.471   4.350   4.350
  900   2HAD  HEC 117          2HAD      HEM 117   3.999   4.430   4.430
  901   1HBD  HEC 117          1HBD      HEM 117   5.464   2.318   2.318
  902   2HBD  HEC 117          2HBD      HEM 117   5.286   2.979   2.979

  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -6.798 -13.745 -13.745
    2   2H    GLY   1          2H        GLY   1  -6.731 -12.181 -12.181
    3   1HA   GLY   1          1HA       GLY   1  -6.474 -12.920 -12.920
    4   2HA   GLY   1          2HA       GLY   1  -6.381 -11.280 -11.280
    5    H    ASP   2           HN       ASP   2  -8.404 -13.253 -13.253
    6    HA   ASP   2           HA       ASP   2 -10.918 -12.780 -12.780
    7   1HB   ASP   2          2HB       ASP   2 -10.398 -13.884 -13.884
    8   2HB   ASP   2          1HB       ASP   2 -11.951 -13.857 -13.857
    9    H    ALA   3           H        ALA   3 -10.622 -10.493 -10.493
   10    HA   ALA   3           HA       ALA   3 -10.372  -8.525  -8.525
   11   1HB   ALA   3          2HB       ALA   3 -10.993  -8.179  -8.179
   12   2HB   ALA   3          3HB       ALA   3 -12.666  -8.677  -8.677
   13   3HB   ALA   3          1HB       ALA   3 -12.013  -7.189  -7.189
   14    H    ALA   4           H        ALA   4 -13.411 -10.442 -10.442
   15    HA   ALA   4           HA       ALA   4 -14.851  -8.917  -8.917
   16   1HB   ALA   4          3HB       ALA   4 -14.948 -11.914 -11.914
   17   2HB   ALA   4          1HB       ALA   4 -16.160 -10.985 -10.985
   18   3HB   ALA   4          2HB       ALA   4 -15.898 -10.652 -10.652
   19    H    LYS   5           HN       LYS   5 -12.759 -11.832 -11.832
   20    HA   LYS   5           HA       LYS   5 -12.869 -11.856 -11.856
   21   1HB   LYS   5          2HB       LYS   5 -10.565 -12.821 -12.821
   22   2HB   LYS   5          1HB       LYS   5 -11.034 -13.352 -13.352
   23   1HG   LYS   5          2HG       LYS   5 -13.319 -13.987 -13.987
   24   2HG   LYS   5          1HG       LYS   5 -12.484 -13.786 -13.786
   25   1HD   LYS   5          2HD       LYS   5 -12.357 -16.089 -16.089
   26   2HD   LYS   5          1HD       LYS   5 -10.737 -15.445 -15.445
   27   1HE   LYS   5          1HE       LYS   5 -11.134 -15.513 -15.513
   28   2HE   LYS   5          2HE       LYS   5 -12.798 -16.064 -16.064
   29   1HZ   LYS   5          1HZ       LYS   5 -10.354 -17.496 -17.496
   30   2HZ   LYS   5          2HZ       LYS   5 -11.322 -17.856 -17.856
   31   3HZ   LYS   5          3HZ       LYS   5 -11.895 -18.022 -18.022
   32    H    GLY   6           H        GLY   6 -10.807 -10.238 -10.238
   33   1HA   GLY   6          1HA       GLY   6  -8.874  -9.039  -9.039
   34   2HA   GLY   6          2HA       GLY   6  -9.529  -8.327  -8.327
   35    H    GLU   7           HN       GLU   7 -12.072  -7.731  -7.731
   36    HA   GLU   7           HA       GLU   7 -12.042  -5.367  -5.367
   37   1HB   GLU   7          2HB       GLU   7 -13.629  -5.926  -5.926
   38   2HB   GLU   7          1HB       GLU   7 -14.456  -7.064  -7.064
   39   1HG   GLU   7          2HG       GLU   7 -15.021  -5.211  -5.211
   40   2HG   GLU   7          1HG       GLU   7 -14.187  -4.067  -4.067
   41    H    LYS   8           HN       LYS   8 -13.412  -8.604  -8.604
   42    HA   LYS   8           HA       LYS   8 -14.372  -7.922  -7.922
   43   1HB   LYS   8          2HB       LYS   8 -13.351 -10.580 -10.580
   44   2HB   LYS   8          1HB       LYS   8 -14.187 -10.376 -10.376
   45   1HG   LYS   8          1HG       LYS   8 -16.163  -9.463  -9.463
   46   2HG   LYS   8          2HG       LYS   8 -15.370  -9.608  -9.608
   47   1HD   LYS   8          1HD       LYS   8 -15.133 -12.081 -12.081
   48   2HD   LYS   8          2HD       LYS   8 -16.064 -11.915 -11.915
   49   1HE   LYS   8          1HE       LYS   8 -17.038 -11.215 -11.215
   50   2HE   LYS   8          2HE       LYS   8 -17.470 -12.669 -12.669
   51   1HZ   LYS   8          3HZ       LYS   8 -18.479 -11.255 -11.255
   52   2HZ   LYS   8          2HZ       LYS   8 -18.108  -9.910  -9.910
   53   3HZ   LYS   8          1HZ       LYS   8 -19.159 -11.023 -11.023
   54    H    GLU   9           HN       GLU   9 -11.208  -9.343  -9.343
   55    HA   GLU   9           HA       GLU   9 -10.030  -9.363  -9.363
   56   1HB   GLU   9          2HB       GLU   9  -9.130 -10.480 -10.480
   57   2HB   GLU   9          1HB       GLU   9  -8.715  -8.895  -8.895
   58   1HG   GLU   9          2HG       GLU   9  -6.732  -9.922  -9.922
   59   2HG   GLU   9          1HG       GLU   9  -7.143  -8.526  -8.526
   60    H    PHE  10           H        PHE  10 -10.277  -6.771  -6.771
   61    HA   PHE  10           HA       PHE  10  -8.646  -4.942  -4.942
   62   1HB   PHE  10          2HB       PHE  10  -9.906  -4.835  -4.835
   63   2HB   PHE  10          1HB       PHE  10 -11.129  -3.959  -3.959
   64    HD1  PHE  10           HD1      PHE  10 -10.361  -1.828  -1.828
   65    HD2  PHE  10           HD2      PHE  10  -7.898  -3.811  -3.811
   66    HE1  PHE  10           HE1      PHE  10  -8.893   0.188   0.188
   67    HE2  PHE  10           HE2      PHE  10  -6.519  -1.767  -1.767
   68    HZ   PHE  10           HZ       PHE  10  -7.022   0.236   0.236
   69    H    ASN  11           H        ASN  11 -11.897  -5.879  -5.879
   70    HA   ASN  11           HA       ASN  11 -12.561  -3.677  -3.677
   71   1HB   ASN  11          1HB       ASN  11 -13.958  -5.733  -5.733
   72   2HB   ASN  11          2HB       ASN  11 -13.230  -6.562  -6.562
   73   1HD2  ASN  11          2HD2      ASN  11 -14.978  -4.031  -4.031
   74   2HD2  ASN  11          1HD2      ASN  11 -13.273  -4.327  -4.327
   75    H    LYS  12           HN       LYS  12 -10.282  -6.360  -6.360
   76    HA   LYS  12           HA       LYS  12  -9.815  -5.712  -5.712
   77   1HB   LYS  12          2HB       LYS  12  -8.453  -7.758  -7.758
   78   2HB   LYS  12          1HB       LYS  12  -8.386  -7.650  -7.650
   79   1HG   LYS  12          2HG       LYS  12 -10.859  -8.382  -8.382
   80   2HG   LYS  12          1HG       LYS  12  -9.761  -9.486  -9.486
   81   1HD   LYS  12          1HD       LYS  12 -11.396  -9.436  -9.436
   82   2HD   LYS  12          2HD       LYS  12 -10.369  -8.143  -8.143
   83   1HE   LYS  12          1HE       LYS  12 -11.901  -6.460  -6.460
   84   2HE   LYS  12          2HE       LYS  12 -12.850  -7.771  -7.771
   85   1HZ   LYS  12          3HZ       LYS  12 -13.385  -8.501  -8.501
   86   2HZ   LYS  12          1HZ       LYS  12 -12.491  -7.286  -7.286
   87   3HZ   LYS  12          2HZ       LYS  12 -13.834  -6.931  -6.931
   88    H    CYS  13           H        CYS  13  -8.196  -5.807  -5.807
   89    HA   CYS  13           HA       CYS  13  -5.586  -4.907  -4.907
   90   1HB   CYS  13          1HB       CYS  13  -6.818  -5.808  -5.808
   91   2HB   CYS  13          2HB       CYS  13  -7.042  -4.060  -4.060
   92    H    LYS  14           HN       LYS  14  -8.532  -2.918  -2.918
   93    HA   LYS  14           HA       LYS  14  -7.222  -0.430  -0.430
   94   1HB   LYS  14          2HB       LYS  14  -9.417   0.516   0.516
   95   2HB   LYS  14          1HB       LYS  14  -9.400  -0.872  -0.872
   96   1HG   LYS  14          2HG       LYS  14 -11.260  -1.518  -1.518
   97   2HG   LYS  14          1HG       LYS  14 -10.156  -2.106  -2.106
   98   1HD   LYS  14          1HD       LYS  14 -10.401   0.067   0.067
   99   2HD   LYS  14          2HD       LYS  14 -11.489   0.642   0.642
  100   1HE   LYS  14          1HE       LYS  14 -13.065  -1.216  -1.216
  101   2HE   LYS  14          2HE       LYS  14 -11.980  -1.747  -1.747
  102   1HZ   LYS  14          1HZ       LYS  14 -13.285   0.883   0.883
  103   2HZ   LYS  14          2HZ       LYS  14 -13.748  -0.365  -0.365
  104   3HZ   LYS  14          3HZ       LYS  14 -12.294   0.372   0.372
  105    H    THR  15           H        THR  15  -7.120  -2.487  -2.487
  106    HA   THR  15           HA       THR  15  -7.798  -0.864  -0.864
  107    HB   THR  15           HB       THR  15  -5.589  -2.940  -2.940
  108    HG1  THR  15           HG1      THR  15  -7.693  -3.730  -3.730
  109   1HG2  THR  15          3HG2      THR  15  -6.746  -1.688  -1.688
  110   2HG2  THR  15          2HG2      THR  15  -5.737  -3.147  -3.147
  111   3HG2  THR  15          1HG2      THR  15  -5.055  -1.593  -1.593
  112    H    CYS  16           H        CYS  16  -5.047  -0.712  -0.712
  113    HA   CYS  16           HA       CYS  16  -3.890   1.586   1.586
  114   1HB   CYS  16          1HB       CYS  16  -2.676  -0.224  -0.224
  115   2HB   CYS  16          2HB       CYS  16  -1.873   1.183   1.183
  116    H    HIS  17           HN       HIS  17  -5.173   0.633   0.633
  117    HA   HIS  17           HA       HIS  17  -4.453   3.325   3.325
  118   1HB   HIS  17          2HB       HIS  17  -5.100   0.701   0.701
  119   2HB   HIS  17          1HB       HIS  17  -4.770   2.211   2.211
  120    HD1  HIS  17           HD1      HIS  17  -2.591   2.923   2.923
  121    HD2  HIS  17           HD2      HIS  17  -2.480  -0.315  -0.315
  122    HE1  HIS  17           HE1      HIS  17  -0.292   1.920   1.920
  123    H    SER  18           H        SER  18  -6.050   3.630   3.630
  124    HA   SER  18           HA       SER  18  -8.862   3.022   3.022
  125   1HB   SER  18          1HB       SER  18  -7.641   5.821   5.821
  126   2HB   SER  18          2HB       SER  18  -9.362   5.541   5.541
  127    HG   SER  18           HG       SER  18  -7.854   4.724   4.724
  128    H    ILE  19           H        ILE  19 -10.214   4.104   4.104
  129    HA   ILE  19           HA       ILE  19  -8.816   4.465   4.465
  130    HB   ILE  19           HB       ILE  19 -10.667   2.198   2.198
  131   1HG1  ILE  19          1HG1      ILE  19  -8.766   2.693   2.693
  132   2HG1  ILE  19          2HG1      ILE  19  -8.237   2.089   2.089
  133   1HG2  ILE  19          2HG2      ILE  19 -11.018   3.864   3.864
  134   2HG2  ILE  19          3HG2      ILE  19 -11.659   2.225   2.225
  135   3HG2  ILE  19          1HG2      ILE  19 -12.239   3.525   3.525
  136   1HD1  ILE  19          3HD1      ILE  19  -9.869   0.173   0.173
  137   2HD1  ILE  19          2HD1      ILE  19 -10.137   0.691   0.691
  138   3HD1  ILE  19          1HD1      ILE  19  -8.527   0.186   0.186
  139    H    ILE  20           H        ILE  20  -9.778   6.070   6.070
  140    HA   ILE  20           HA       ILE  20 -11.973   7.566   7.566
  141    HB   ILE  20           HB       ILE  20  -9.459   8.397   8.397
  142   1HG1  ILE  20          2HG1      ILE  20 -10.398  10.844  10.844
  143   2HG1  ILE  20          1HG1      ILE  20 -11.946   9.983   9.983
  144   1HG2  ILE  20          3HG2      ILE  20  -8.976   8.182   8.182
  145   2HG2  ILE  20          2HG2      ILE  20 -10.089   9.531   9.531
  146   3HG2  ILE  20          1HG2      ILE  20  -8.644   9.772   9.772
  147   1HD1  ILE  20          2HD1      ILE  20 -11.260   8.970   8.970
  148   2HD1  ILE  20          1HD1      ILE  20  -9.849  10.037  10.037
  149   3HD1  ILE  20          3HD1      ILE  20 -11.477  10.740  10.740
  150    H    ALA  21           H        ALA  21 -13.532   8.481   8.481
  151    HA   ALA  21           HA       ALA  21 -13.528   7.432   7.432
  152   1HB   ALA  21          3HB       ALA  21 -15.669   7.748   7.748
  153   2HB   ALA  21          2HB       ALA  21 -15.332   9.485   9.485
  154   3HB   ALA  21          1HB       ALA  21 -15.589   8.740   8.740
  155    HA   PRO  22           HA       PRO  22 -11.207  10.788  10.788
  156   1HB   PRO  22          2HB       PRO  22 -13.603  11.167  11.167
  157   2HB   PRO  22          1HB       PRO  22 -11.868  11.191  11.191
  158   1HG   PRO  22          2HG       PRO  22 -13.307   8.936   8.936
  159   2HG   PRO  22          1HG       PRO  22 -11.696   8.812   8.812
  160   1HD   PRO  22          2HD       PRO  22 -14.409   8.739   8.739
  161   2HD   PRO  22          1HD       PRO  22 -12.960   7.730   7.730
  162    H    ASP  23           HN       ASP  23 -14.647  11.484  11.484
  163    HA   ASP  23           HA       ASP  23 -14.393  14.344  14.344
  164   1HB   ASP  23          1HB       ASP  23 -16.704  14.181  14.181
  165   2HB   ASP  23          2HB       ASP  23 -16.508  13.312  13.312
  166    H    GLY  24           H        GLY  24 -13.431  11.953  11.953
  167   1HA   GLY  24          1HA       GLY  24 -12.207  12.639  12.639
  168   2HA   GLY  24          2HA       GLY  24 -13.319  13.974  13.974
  169    H    THR  25           H        THR  25 -15.547  11.672  11.672
  170    HA   THR  25           HA       THR  25 -16.202  11.269  11.269
  171    HB   THR  25           HB       THR  25 -17.082   9.600   9.600
  172    HG1  THR  25           HG1      THR  25 -17.587  11.753  11.753
  173   1HG2  THR  25          1HG2      THR  25 -18.365  10.050  10.050
  174   2HG2  THR  25          2HG2      THR  25 -19.095   9.181   9.181
  175   3HG2  THR  25          3HG2      THR  25 -17.659   8.519   8.519
  176    H    GLU  26           HN       GLU  26 -15.374   9.971   9.971
  177    HA   GLU  26           HA       GLU  26 -13.262   8.092   8.092
  178   1HB   GLU  26          2HB       GLU  26 -14.850   8.567   8.567
  179   2HB   GLU  26          1HB       GLU  26 -13.351   7.642   7.642
  180   1HG   GLU  26          2HG       GLU  26 -12.172   9.696   9.696
  181   2HG   GLU  26          1HG       GLU  26 -13.647  10.639  10.639
  182    H    ILE  27           H        ILE  27 -14.503   6.789   6.789
  183    HA   ILE  27           HA       ILE  27 -16.640   5.102   5.102
  184    HB   ILE  27           HB       ILE  27 -14.240   4.405   4.405
  185   1HG1  ILE  27          1HG1      ILE  27 -15.167   6.442   6.442
  186   2HG1  ILE  27          2HG1      ILE  27 -15.616   5.145   5.145
  187   1HG2  ILE  27          2HG2      ILE  27 -17.027   3.183   3.183
  188   2HG2  ILE  27          3HG2      ILE  27 -15.852   2.894   2.894
  189   3HG2  ILE  27          1HG2      ILE  27 -15.486   2.383   2.383
  190   1HD1  ILE  27          3HD1      ILE  27 -17.903   5.082   5.082
  191   2HD1  ILE  27          2HD1      ILE  27 -17.431   6.490   6.490
  192   3HD1  ILE  27          1HD1      ILE  27 -17.520   6.622   6.622
  193    H    VAL  28           H        VAL  28 -13.120   4.333   4.333
  194    HA   VAL  28           HA       VAL  28 -14.034   2.330   2.330
  195    HB   VAL  28           HB       VAL  28 -11.378   2.319   2.319
  196   1HG1  VAL  28          3HG1      VAL  28 -12.708   0.414   0.414
  197   2HG1  VAL  28          2HG1      VAL  28 -11.171   0.138   0.138
  198   3HG1  VAL  28          1HG1      VAL  28 -11.309   1.458   1.458
  199   1HG2  VAL  28          3HG2      VAL  28 -13.848   0.564   0.564
  200   2HG2  VAL  28          2HG2      VAL  28 -13.170   1.645   1.645
  201   3HG2  VAL  28          1HG2      VAL  28 -12.251   0.220   0.220
  202    H    LYS  29           HN       LYS  29 -14.392   3.991   3.991
  203    HA   LYS  29           HA       LYS  29 -12.356   5.913   5.913
  204   1HB   LYS  29          1HB       LYS  29 -14.806   6.311   6.311
  205   2HB   LYS  29          2HB       LYS  29 -14.911   5.076   5.076
  206   1HG   LYS  29          2HG       LYS  29 -13.529   6.415   6.415
  207   2HG   LYS  29          1HG       LYS  29 -13.086   7.514   7.514
  208   1HD   LYS  29          2HD       LYS  29 -14.718   8.582   8.582
  209   2HD   LYS  29          1HD       LYS  29 -15.417   8.307   8.307
  210   1HE   LYS  29          2HE       LYS  29 -16.652   6.337   6.337
  211   2HE   LYS  29          1HE       LYS  29 -15.872   6.507   6.507
  212   1HZ   LYS  29          1HZ       LYS  29 -17.659   8.468   8.468
  213   2HZ   LYS  29          3HZ       LYS  29 -18.058   7.440   7.440
  214   3HZ   LYS  29          2HZ       LYS  29 -16.945   8.628   8.628
  215    H    GLY  30           H        GLY  30 -10.716   4.112   4.112
  216   1HA   GLY  30          1HA       GLY  30 -10.709   2.505   2.505
  217   2HA   GLY  30          2HA       GLY  30  -9.594   2.401   2.401
  218    H    ALA  31           H        ALA  31  -7.864   2.611   2.611
  219    HA   ALA  31           HA       ALA  31  -7.625   5.239   5.239
  220   1HB   ALA  31          3HB       ALA  31  -6.889   3.160   3.160
  221   2HB   ALA  31          2HB       ALA  31  -5.657   2.960   2.960
  222   3HB   ALA  31          1HB       ALA  31  -5.589   4.355   4.355
  223    H    LYS  32           HN       LYS  32  -5.333   6.243   6.243
  224    HA   LYS  32           HA       LYS  32  -4.550   6.379   6.379
  225   1HB   LYS  32          2HB       LYS  32  -4.657   8.677   8.677
  226   2HB   LYS  32          1HB       LYS  32  -4.233   8.776   8.776
  227   1HG   LYS  32          1HG       LYS  32  -6.984   8.034   8.034
  228   2HG   LYS  32          2HG       LYS  32  -6.504   9.613   9.613
  229   1HD   LYS  32          2HD       LYS  32  -6.054   8.629   8.629
  230   2HD   LYS  32          1HD       LYS  32  -6.596   7.047   7.047
  231   1HE   LYS  32          1HE       LYS  32  -8.323   9.567   9.567
  232   2HE   LYS  32          2HE       LYS  32  -8.356   8.296   8.296
  233   1HZ   LYS  32          1HZ       LYS  32  -8.990   7.884   7.884
  234   2HZ   LYS  32          2HZ       LYS  32 -10.083   8.044   8.044
  235   3HZ   LYS  32          3HZ       LYS  32  -9.060   6.747   6.747
  236    H    THR  33           H        THR  33  -3.501   4.651   4.651
  237    HA   THR  33           HA       THR  33  -1.074   5.809   5.809
  238    HB   THR  33           HB       THR  33  -1.777   2.873   2.873
  239    HG1  THR  33           HG1      THR  33  -2.646   4.698   4.698
  240   1HG2  THR  33          2HG2      THR  33  -0.183   4.364   4.364
  241   2HG2  THR  33          1HG2      THR  33  -0.500   2.617   2.617
  242   3HG2  THR  33          3HG2      THR  33   0.503   3.369   3.369
  243    H    GLY  34           H        GLY  34  -2.101   3.805   3.805
  244   1HA   GLY  34          1HA       GLY  34   0.562   4.203   4.203
  245   2HA   GLY  34          2HA       GLY  34  -0.594   2.916   2.916
  246    HA   PRO  35           HA       PRO  35  -1.387   6.931   6.931
  247   1HB   PRO  35          1HB       PRO  35  -0.853   4.879   4.879
  248   2HB   PRO  35          2HB       PRO  35  -0.553   6.639   6.639
  249   1HG   PRO  35          1HG       PRO  35   1.456   4.871   4.871
  250   2HG   PRO  35          2HG       PRO  35   1.351   6.413   6.413
  251   1HD   PRO  35          2HD       PRO  35   0.690   3.656   3.656
  252   2HD   PRO  35          1HD       PRO  35   1.345   5.036   5.036
  253    H    ASN  36           H        ASN  36  -2.995   6.900   6.900
  254    HA   ASN  36           HA       ASN  36  -5.275   5.084   5.084
  255   1HB   ASN  36          1HB       ASN  36  -5.493   7.456   7.456
  256   2HB   ASN  36          2HB       ASN  36  -5.181   7.917   7.917
  257   1HD2  ASN  36          1HD2      ASN  36  -8.346   6.775   6.775
  258   2HD2  ASN  36          2HD2      ASN  36  -6.667   7.018   7.018
  259    H    LEU  37           H        LEU  37  -4.555   3.370   3.370
  260    HA   LEU  37           HA       LEU  37  -3.421   3.763   3.763
  261   1HB   LEU  37          1HB       LEU  37  -5.206   1.442   1.442
  262   2HB   LEU  37          2HB       LEU  37  -3.840   1.397   1.397
  263    HG   LEU  37           HG       LEU  37  -2.824   0.555   0.555
  264   1HD1  LEU  37          1HD2      LEU  37  -1.614   2.721   2.721
  265   2HD1  LEU  37          2HD2      LEU  37  -2.397   3.229   3.229
  266   3HD1  LEU  37          3HD2      LEU  37  -1.342   1.812   1.812
  267   1HD2  LEU  37          2HD1      LEU  37  -4.748   0.205   0.205
  268   2HD2  LEU  37          1HD1      LEU  37  -3.349   0.535   0.535
  269   3HD2  LEU  37          3HD1      LEU  37  -4.590   1.795   1.795
  270    H    TYR  38           H        TYR  38  -6.459   5.010   5.010
  271    HA   TYR  38           HA       TYR  38  -7.684   3.682   3.682
  272   1HB   TYR  38          1HB       TYR  38  -8.952   5.169   5.169
  273   2HB   TYR  38          2HB       TYR  38  -7.968   6.547   6.547
  274    HD1  TYR  38           HD1      TYR  38  -8.236   7.496   7.496
  275    HD2  TYR  38           HD2      TYR  38 -10.645   4.196   4.196
  276    HE1  TYR  38           HE1      TYR  38  -9.220   7.281   7.281
  277    HE2  TYR  38           HE2      TYR  38 -11.810   4.157   4.157
  278    HH   TYR  38           HH       TYR  38 -11.311   4.499   4.499
  279    H    GLY  39           H        GLY  39  -6.290   3.368   3.368
  280   1HA   GLY  39          1HA       GLY  39  -5.476   4.125   4.125
  281   2HA   GLY  39          2HA       GLY  39  -5.314   5.770   5.770
  282    H    VAL  40           H        VAL  40  -4.115   3.132   3.132
  283    HA   VAL  40           HA       VAL  40  -1.443   4.062   4.062
  284    HB   VAL  40           HB       VAL  40  -2.538   2.628   2.628
  285   1HG1  VAL  40          3HG2      VAL  40  -3.244   0.730   0.730
  286   2HG1  VAL  40          2HG2      VAL  40  -1.527   0.321   0.321
  287   3HG1  VAL  40          1HG2      VAL  40  -2.237   0.214   0.214
  288   1HG2  VAL  40          1HG1      VAL  40  -0.205   3.293   3.293
  289   2HG2  VAL  40          2HG1      VAL  40  -0.418   1.633   1.633
  290   3HG2  VAL  40          3HG1      VAL  40   0.265   1.927   1.927
  291    H    VAL  41           H        VAL  41  -3.164   1.504   1.504
  292    HA   VAL  41           HA       VAL  41  -0.876   0.414   0.414
  293    HB   VAL  41           HB       VAL  41  -3.837   0.318   0.318
  294   1HG1  VAL  41          1HG1      VAL  41  -1.503  -1.314  -1.314
  295   2HG1  VAL  41          3HG1      VAL  41  -3.222  -1.648  -1.648
  296   3HG1  VAL  41          2HG1      VAL  41  -2.496  -0.164  -0.164
  297   1HG2  VAL  41          3HG2      VAL  41  -2.009  -1.700  -1.700
  298   2HG2  VAL  41          1HG2      VAL  41  -3.289  -0.757  -0.757
  299   3HG2  VAL  41          2HG2      VAL  41  -3.710  -1.966  -1.966
  300    H    GLY  42           H        GLY  42   0.365   1.821   1.821
  301   1HA   GLY  42          1HA       GLY  42   0.838   2.746   2.746
  302   2HA   GLY  42          2HA       GLY  42  -0.649   3.695   3.695
  303    H    ARG  43           HN       ARG  43   0.260   3.855   3.855
  304    HA   ARG  43           HA       ARG  43   1.312   6.512   6.512
  305   1HB   ARG  43          1HB       ARG  43  -0.263   5.617   5.617
  306   2HB   ARG  43          2HB       ARG  43   1.175   4.894   4.894
  307   1HG   ARG  43          1HG       ARG  43   0.822   6.952   6.952
  308   2HG   ARG  43          2HG       ARG  43   2.183   7.261   7.261
  309   1HD   ARG  43          1HD       ARG  43   0.572   8.300   8.300
  310   2HD   ARG  43          2HD       ARG  43  -0.753   7.978   7.978
  311    HE   ARG  43           HE       ARG  43   1.211   9.459   9.459
  312   1HH1  ARG  43          1HH1      ARG  43  -0.987   9.882   9.882
  313   2HH1  ARG  43          2HH1      ARG  43  -0.990  11.622  11.622
  314   1HH2  ARG  43          1HH2      ARG  43   1.217  11.715  11.715
  315   2HH2  ARG  43          2HH2      ARG  43   0.302  12.693  12.693
  316    H    THR  44           H        THR  44   3.392   7.209   7.209
  317    HA   THR  44           HA       THR  44   5.565   5.487   5.487
  318    HB   THR  44           HB       THR  44   5.623   8.459   8.459
  319    HG1  THR  44           HG1      THR  44   5.366   8.618   8.618
  320   1HG2  THR  44          1HG2      THR  44   7.444   6.606   6.606
  321   2HG2  THR  44          3HG2      THR  44   7.577   8.379   8.379
  322   3HG2  THR  44          2HG2      THR  44   7.839   7.447   7.447
  323    H    ALA  45           H        ALA  45   4.930   4.326   4.326
  324    HA   ALA  45           HA       ALA  45   5.650   3.601   3.601
  325   1HB   ALA  45          2HB       ALA  45   7.920   4.288   4.288
  326   2HB   ALA  45          3HB       ALA  45   7.865   5.652   5.652
  327   3HB   ALA  45          1HB       ALA  45   7.840   3.990   3.990
  328    H    GLY  46           H        GLY  46   6.984   5.322   5.322
  329   1HA   GLY  46          1HA       GLY  46   4.628   6.237   6.237
  330   2HA   GLY  46          2HA       GLY  46   6.299   6.477   6.477
  331    H    THR  47           H        THR  47   3.826   7.693   7.693
  332    HA   THR  47           HA       THR  47   4.512  10.457  10.457
  333    HB   THR  47           HB       THR  47   5.934   9.956   9.956
  334    HG1  THR  47           HG1      THR  47   3.847  11.827  11.827
  335   1HG2  THR  47          2HG2      THR  47   4.377   8.376   8.376
  336   2HG2  THR  47          3HG2      THR  47   3.345   9.757   9.757
  337   3HG2  THR  47          1HG2      THR  47   5.006   9.683   9.683
  338    H    TYR  48           H        TYR  48   2.098   8.614   8.614
  339    HA   TYR  48           HA       TYR  48  -0.004   9.815   9.815
  340   1HB   TYR  48          2HB       TYR  48  -0.027   7.538   7.538
  341   2HB   TYR  48          1HB       TYR  48  -0.332   8.439   8.439
  342    HD1  TYR  48           HD2      TYR  48  -1.621   7.629   7.629
  343    HD2  TYR  48           HD1      TYR  48  -2.567   9.381   9.381
  344    HE1  TYR  48           HE2      TYR  48  -3.989   7.697   7.697
  345    HE2  TYR  48           HE1      TYR  48  -4.959   9.450   9.450
  346    HH   TYR  48           HH       TYR  48  -6.121   7.843   7.843
  347    HA   PRO  49           HA       PRO  49  -0.040  13.646  13.646
  348   1HB   PRO  49          2HB       PRO  49  -3.056  13.433  13.433
  349   2HB   PRO  49          1HB       PRO  49  -2.031  14.853  14.853
  350   1HG   PRO  49          1HG       PRO  49  -3.090  13.396  13.396
  351   2HG   PRO  49          2HG       PRO  49  -1.366  13.874  13.874
  352   1HD   PRO  49          2HD       PRO  49  -2.528  11.219  11.219
  353   2HD   PRO  49          1HD       PRO  49  -1.168  11.549  11.549
  354    H    GLU  50           HN       GLU  50  -0.407  14.637  14.637
  355    HA   GLU  50           HA       GLU  50  -0.267  14.654  14.654
  356   1HB   GLU  50          1HB       GLU  50  -3.066  13.574  13.574
  357   2HB   GLU  50          2HB       GLU  50  -2.487  14.167  14.167
  358   1HG   GLU  50          2HG       GLU  50  -3.692  15.949  15.949
  359   2HG   GLU  50          1HG       GLU  50  -1.983  16.389  16.389
  360    H    PHE  51           H        PHE  51   1.447  12.831  12.831
  361    HA   PHE  51           HA       PHE  51   0.936  11.116  11.116
  362   1HB   PHE  51          2HB       PHE  51   0.001   9.781   9.781
  363   2HB   PHE  51          1HB       PHE  51   1.626   9.727   9.727
  364    HD1  PHE  51           HD1      PHE  51  -0.546   8.738   8.738
  365    HD2  PHE  51           HD2      PHE  51   3.426   8.464   8.464
  366    HE1  PHE  51           HE1      PHE  51   0.084   7.152   7.152
  367    HE2  PHE  51           HE2      PHE  51   4.040   6.821   6.821
  368    HZ   PHE  51           HZ       PHE  51   2.354   6.133   6.133
  369    H    LYS  52           HN       LYS  52   2.670  11.225  11.225
  370    HA   LYS  52           HA       LYS  52   5.185  12.274  12.274
  371   1HB   LYS  52          1HB       LYS  52   4.201  12.826  12.826
  372   2HB   LYS  52          2HB       LYS  52   4.463  11.152  11.152
  373   1HG   LYS  52          1HG       LYS  52   6.912  11.443  11.443
  374   2HG   LYS  52          2HG       LYS  52   6.658  13.045  13.045
  375   1HD   LYS  52          1HD       LYS  52   7.371  13.288  13.288
  376   2HD   LYS  52          2HD       LYS  52   5.700  13.854  13.854
  377   1HE   LYS  52          2HE       LYS  52   4.872  11.744  11.744
  378   2HE   LYS  52          1HE       LYS  52   6.519  11.085  11.085
  379   1HZ   LYS  52          1HZ       LYS  52   5.581  13.432  13.432
  380   2HZ   LYS  52          2HZ       LYS  52   5.853  11.932  11.932
  381   3HZ   LYS  52          3HZ       LYS  52   7.111  12.819  12.819
  382    H    TYR  53           H        TYR  53   5.528  10.572  10.572
  383    HA   TYR  53           HA       TYR  53   6.215   7.880   7.880
  384   1HB   TYR  53          1HB       TYR  53   7.102   9.635   9.635
  385   2HB   TYR  53          2HB       TYR  53   7.418   7.913   7.913
  386    HD1  TYR  53           HD1      TYR  53   5.482   6.260   6.260
  387    HD2  TYR  53           HD2      TYR  53   5.010  10.393  10.393
  388    HE1  TYR  53           HE1      TYR  53   3.461   5.676   5.676
  389    HE2  TYR  53           HE2      TYR  53   2.905   9.830   9.830
  390    HH   TYR  53           HH       TYR  53   1.931   6.450   6.450
  391    H    LYS  54           HN       LYS  54   8.553   7.097   7.097
  392    HA   LYS  54           HA       LYS  54  10.593   8.673   8.673
  393   1HB   LYS  54          2HB       LYS  54  10.918   5.752   5.752
  394   2HB   LYS  54          1HB       LYS  54  11.521   6.734   6.734
  395   1HG   LYS  54          2HG       LYS  54   8.631   5.876   5.876
  396   2HG   LYS  54          1HG       LYS  54   9.778   5.089   5.089
  397   1HD   LYS  54          2HD       LYS  54   9.816   6.919   6.919
  398   2HD   LYS  54          1HD       LYS  54   9.139   8.049   8.049
  399   1HE   LYS  54          1HE       LYS  54   7.467   7.362   7.362
  400   2HE   LYS  54          2HE       LYS  54   6.972   6.993   6.993
  401   1HZ   LYS  54          1HZ       LYS  54   8.148   5.053   5.053
  402   2HZ   LYS  54          3HZ       LYS  54   6.547   5.184   5.184
  403   3HZ   LYS  54          2HZ       LYS  54   7.626   4.741   4.741
  404    H    ASP  55           HN       ASP  55  12.810   7.934   7.934
  405    HA   ASP  55           HA       ASP  55  13.308   8.933   8.933
  406   1HB   ASP  55          2HB       ASP  55  14.931   9.055   9.055
  407   2HB   ASP  55          1HB       ASP  55  15.055   7.287   7.287
  408    H    SER  56           H        SER  56  12.867   5.503   5.503
  409    HA   SER  56           HA       SER  56  14.293   4.334   4.334
  410   1HB   SER  56          2HB       SER  56  13.012   2.323   2.323
  411   2HB   SER  56          1HB       SER  56  14.101   3.179   3.179
  412    HG   SER  56           HG       SER  56  11.858   2.746   2.746
  413    H    ILE  57           H        ILE  57  10.937   4.261   4.261
  414    HA   ILE  57           HA       ILE  57   9.882   3.386   3.386
  415    HB   ILE  57           HB       ILE  57   9.007   3.318   3.318
  416   1HG1  ILE  57          1HG1      ILE  57   6.921   4.042   4.042
  417   2HG1  ILE  57          2HG1      ILE  57   7.825   2.521   2.521
  418   1HG2  ILE  57          3HG2      ILE  57   9.057   5.714   5.714
  419   2HG2  ILE  57          2HG2      ILE  57   7.757   5.988   5.988
  420   3HG2  ILE  57          1HG2      ILE  57   7.461   5.021   5.021
  421   1HD1  ILE  57          1HD1      ILE  57   6.973   2.049   2.049
  422   2HD1  ILE  57          2HD1      ILE  57   5.895   3.459   3.459
  423   3HD1  ILE  57          3HD1      ILE  57   5.748   2.076   2.076
  424    H    VAL  58           H        VAL  58  10.756   6.658   6.658
  425    HA   VAL  58           HA       VAL  58   9.415   7.875   7.875
  426    HB   VAL  58           HB       VAL  58  11.510   8.821   8.821
  427   1HG1  VAL  58          3HG2      VAL  58  10.295  10.346  10.346
  428   2HG1  VAL  58          1HG2      VAL  58  11.175  11.091  11.091
  429   3HG1  VAL  58          2HG2      VAL  58  12.019   9.990   9.990
  430   1HG2  VAL  58          1HG1      VAL  58   9.062   8.585   8.585
  431   2HG2  VAL  58          3HG1      VAL  58   9.713  10.230  10.230
  432   3HG2  VAL  58          2HG1      VAL  58   8.662   9.782   9.782
  433    H    ALA  59           H        ALA  59  12.786   6.854   6.854
  434    HA   ALA  59           HA       ALA  59  14.046   7.518   7.518
  435   1HB   ALA  59          2HB       ALA  59  15.277   6.828   6.828
  436   2HB   ALA  59          1HB       ALA  59  14.654   5.170   5.170
  437   3HB   ALA  59          3HB       ALA  59  15.729   5.831   5.831
  438    H    LEU  60           H        LEU  60  12.131   4.575   4.575
  439    HA   LEU  60           HA       LEU  60  12.479   3.073   3.073
  440   1HB   LEU  60          2HB       LEU  60  10.388   3.564   3.564
  441   2HB   LEU  60          1HB       LEU  60   9.788   2.923   2.923
  442    HG   LEU  60           HG       LEU  60  10.387   1.358   1.358
  443   1HD1  LEU  60          2HD1      LEU  60  11.088   0.730   0.730
  444   2HD1  LEU  60          3HD1      LEU  60  10.941  -0.481  -0.481
  445   3HD1  LEU  60          1HD1      LEU  60   9.545   0.501   0.501
  446   1HD2  LEU  60          2HD2      LEU  60  12.754   2.176   2.176
  447   2HD2  LEU  60          1HD2      LEU  60  12.602   0.423   0.423
  448   3HD2  LEU  60          3HD2      LEU  60  13.139   1.419   1.419
  449    H    GLY  61           H        GLY  61  10.236   5.855   5.855
  450   1HA   GLY  61          1HA       GLY  61   9.090   5.861   5.861
  451   2HA   GLY  61          2HA       GLY  61   9.102   7.196   7.196
  452    H    ALA  62           H        ALA  62  11.747   7.719   7.719
  453    HA   ALA  62           HA       ALA  62  12.423   9.309   9.309
  454   1HB   ALA  62          3HB       ALA  62  13.301   9.622   9.622
  455   2HB   ALA  62          2HB       ALA  62  14.373   8.223   8.223
  456   3HB   ALA  62          1HB       ALA  62  14.566   9.675   9.675
  457    H    SER  63           H        SER  63  13.537   5.996   5.996
  458    HA   SER  63           HA       SER  63  15.334   5.868   5.868
  459   1HB   SER  63          2HB       SER  63  15.540   3.518   3.518
  460   2HB   SER  63          1HB       SER  63  15.620   4.482   4.482
  461    HG   SER  63           HG       SER  63  13.207   3.965   3.965
  462    H    GLY  64           H        GLY  64  11.952   5.973   5.973
  463   1HA   GLY  64          1HA       GLY  64  10.742   6.053   6.053
  464   2HA   GLY  64          2HA       GLY  64  11.850   4.938   4.938
  465    H    PHE  65           H        PHE  65  10.887   3.899   3.899
  466    HA   PHE  65           HA       PHE  65   9.420   1.675   1.675
  467   1HB   PHE  65          2HB       PHE  65  10.788   1.231   1.231
  468   2HB   PHE  65          1HB       PHE  65   9.972   2.490   2.490
  469    HD1  PHE  65           HD1      PHE  65   9.330  -0.855  -0.855
  470    HD2  PHE  65           HD2      PHE  65   7.912   2.208   2.208
  471    HE1  PHE  65           HE1      PHE  65   7.660  -2.409  -2.409
  472    HE2  PHE  65           HE2      PHE  65   6.396   0.601   0.601
  473    HZ   PHE  65           HZ       PHE  65   6.352  -1.757  -1.757
  474    H    ALA  66           H        ALA  66   7.256   1.338   1.338
  475    HA   ALA  66           HA       ALA  66   5.477   3.325   3.325
  476   1HB   ALA  66          3HB       ALA  66   5.192   2.347   2.347
  477   2HB   ALA  66          2HB       ALA  66   4.008   3.333   3.333
  478   3HB   ALA  66          1HB       ALA  66   5.604   4.006   4.006
  479    H    TRP  67           H        TRP  67   3.738   2.378   2.378
  480    HA   TRP  67           HA       TRP  67   3.962  -0.437  -0.437
  481   1HB   TRP  67          2HB       TRP  67   1.916   1.707   1.707
  482   2HB   TRP  67          1HB       TRP  67   1.627   0.024   0.024
  483    HD1  TRP  67           HD1      TRP  67   2.739   3.037   3.037
  484    HE1  TRP  67           HE1      TRP  67   4.221   2.597   2.597
  485    HE3  TRP  67           HE3      TRP  67   3.710  -1.956  -1.956
  486    HZ2  TRP  67           HZ2      TRP  67   5.729   0.522   0.522
  487    HZ3  TRP  67           HZ3      TRP  67   5.256  -3.112  -3.112
  488    HH2  TRP  67           HH2      TRP  67   6.340  -1.885  -1.885
  489    H    THR  68           H        THR  68   3.078  -2.104  -2.104
  490    HA   THR  68           HA       THR  68   0.933  -1.776  -1.776
  491    HB   THR  68           HB       THR  68   1.800  -3.910  -3.910
  492    HG1  THR  68           HG1      THR  68   4.204  -3.750  -3.750
  493   1HG2  THR  68          3HG2      THR  68   2.624  -1.840  -1.840
  494   2HG2  THR  68          1HG2      THR  68   3.997  -1.829  -1.829
  495   3HG2  THR  68          2HG2      THR  68   3.833  -3.146  -3.146
  496    H    GLU  69           HN       GLU  69  -0.496  -3.733  -3.733
  497    HA   GLU  69           HA       GLU  69  -1.486  -4.542  -4.542
  498   1HB   GLU  69          2HB       GLU  69  -1.740  -6.784  -6.784
  499   2HB   GLU  69          1HB       GLU  69  -2.926  -5.643  -5.643
  500   1HG   GLU  69          2HG       GLU  69  -2.943  -5.750  -5.750
  501   2HG   GLU  69          1HG       GLU  69  -2.491  -4.135  -4.135
  502    H    GLU  70           HN       GLU  70   0.817  -6.199  -6.199
  503    HA   GLU  70           HA       GLU  70   1.257  -8.460  -8.460
  504   1HB   GLU  70          1HB       GLU  70   3.201  -8.955  -8.955
  505   2HB   GLU  70          2HB       GLU  70   1.758  -8.548  -8.548
  506   1HG   GLU  70          1HG       GLU  70   2.654  -6.286  -6.286
  507   2HG   GLU  70          2HG       GLU  70   4.141  -6.706  -6.706
  508    H    ASP  71           HN       ASP  71   3.184  -5.426  -5.426
  509    HA   ASP  71           HA       ASP  71   5.093  -6.204  -6.204
  510   1HB   ASP  71          2HB       ASP  71   4.212  -3.482  -3.482
  511   2HB   ASP  71          1HB       ASP  71   5.486  -3.749  -3.749
  512    H    ILE  72           H        ILE  72   1.935  -4.451  -4.451
  513    HA   ILE  72           HA       ILE  72   2.155  -3.844  -3.844
  514    HB   ILE  72           HB       ILE  72  -0.215  -4.438  -4.438
  515   1HG1  ILE  72          2HG1      ILE  72   1.281  -2.334  -2.334
  516   2HG1  ILE  72          1HG1      ILE  72  -0.469  -2.170  -2.170
  517   1HG2  ILE  72          1HG2      ILE  72  -0.265  -3.574  -3.574
  518   2HG2  ILE  72          3HG2      ILE  72  -1.629  -3.368  -3.368
  519   3HG2  ILE  72          2HG2      ILE  72  -1.045  -4.984  -4.984
  520   1HD1  ILE  72          2HD1      ILE  72  -0.314  -1.411  -1.411
  521   2HD1  ILE  72          3HD1      ILE  72   1.454  -1.660  -1.660
  522   3HD1  ILE  72          1HD1      ILE  72   0.670  -0.413  -0.413
  523    H    ALA  73           H        ALA  73   0.683  -6.684  -6.684
  524    HA   ALA  73           HA       ALA  73  -0.005  -8.148  -8.148
  525   1HB   ALA  73          3HB       ALA  73  -0.641  -8.760  -8.760
  526   2HB   ALA  73          1HB       ALA  73   1.031  -9.240  -9.240
  527   3HB   ALA  73          2HB       ALA  73   0.087 -10.131 -10.131
  528    H    THR  74           H        THR  74   3.119  -8.150  -8.150
  529    HA   THR  74           HA       THR  74   4.417 -10.035 -10.035
  530    HB   THR  74           HB       THR  74   5.742  -7.736  -7.736
  531    HG1  THR  74           HG1      THR  74   4.375  -8.864  -8.864
  532   1HG2  THR  74          1HG2      THR  74   7.235  -9.098  -9.098
  533   2HG2  THR  74          3HG2      THR  74   6.687 -10.563 -10.563
  534   3HG2  THR  74          2HG2      THR  74   7.603  -9.329  -9.329
  535    H    TYR  75           H        TYR  75   4.549  -6.421  -6.421
  536    HA   TYR  75           HA       TYR  75   6.197  -6.243  -6.243
  537   1HB   TYR  75          2HB       TYR  75   5.962  -4.381  -4.381
  538   2HB   TYR  75          1HB       TYR  75   4.230  -4.342  -4.342
  539    HD1  TYR  75           HD1      TYR  75   7.271  -3.681  -3.681
  540    HD2  TYR  75           HD2      TYR  75   2.987  -3.334  -3.334
  541    HE1  TYR  75           HE1      TYR  75   7.333  -2.218  -2.218
  542    HE2  TYR  75           HE2      TYR  75   3.064  -1.875  -1.875
  543    HH   TYR  75           HH       TYR  75   4.372  -0.971  -0.971
  544    H    VAL  76           H        VAL  76   2.627  -6.466  -6.466
  545    HA   VAL  76           HA       VAL  76   2.150  -6.225  -6.225
  546    HB   VAL  76           HB       VAL  76   0.660  -7.555  -7.555
  547   1HG1  VAL  76          1HG2      VAL  76  -0.252  -7.298  -7.298
  548   2HG1  VAL  76          2HG2      VAL  76  -1.324  -7.629  -7.629
  549   3HG1  VAL  76          3HG2      VAL  76  -0.072  -8.799  -8.799
  550   1HG2  VAL  76          3HG1      VAL  76   0.846  -5.027  -5.027
  551   2HG2  VAL  76          1HG1      VAL  76  -0.816  -5.622  -5.622
  552   3HG2  VAL  76          2HG1      VAL  76   0.054  -5.077  -5.077
  553    H    LYS  77           HN       LYS  77   3.468  -8.955  -8.955
  554    HA   LYS  77           HA       LYS  77   3.103 -10.814 -10.814
  555   1HB   LYS  77          2HB       LYS  77   4.327 -11.153 -11.153
  556   2HB   LYS  77          1HB       LYS  77   4.170 -12.429 -12.429
  557   1HG   LYS  77          1HG       LYS  77   1.768 -12.294 -12.294
  558   2HG   LYS  77          2HG       LYS  77   1.783 -10.864 -10.864
  559   1HD   LYS  77          1HD       LYS  77   2.967 -12.268 -12.268
  560   2HD   LYS  77          2HD       LYS  77   2.658 -13.687 -13.687
  561   1HE   LYS  77          1HE       LYS  77   0.591 -11.802 -11.802
  562   2HE   LYS  77          2HE       LYS  77   0.916 -13.475 -13.475
  563   1HZ   LYS  77          1HZ       LYS  77   0.160 -14.170 -14.170
  564   2HZ   LYS  77          3HZ       LYS  77  -0.165 -12.611 -12.611
  565   3HZ   LYS  77          2HZ       LYS  77  -1.010 -13.323 -13.323
  566    H    ASP  78           HN       ASP  78   5.569  -8.841  -8.841
  567    HA   ASP  78           HA       ASP  78   7.632  -9.694  -9.694
  568   1HB   ASP  78          1HB       ASP  78   7.884  -9.421  -9.421
  569   2HB   ASP  78          2HB       ASP  78   9.250  -9.484  -9.484
  570    HA   PRO  79           HA       PRO  79   7.440  -5.065  -5.065
  571   1HB   PRO  79          2HB       PRO  79   7.263  -4.413  -4.413
  572   2HB   PRO  79          1HB       PRO  79   5.824  -4.808  -4.808
  573   1HG   PRO  79          2HG       PRO  79   7.452  -6.696  -6.696
  574   2HG   PRO  79          1HG       PRO  79   5.707  -6.351  -6.351
  575   1HD   PRO  79          2HD       PRO  79   6.678  -8.495  -8.495
  576   2HD   PRO  79          1HD       PRO  79   5.367  -7.507  -7.507
  577    H    GLY  80           H        GLY  80   9.120  -3.757  -3.757
  578   1HA   GLY  80          1HA       GLY  80  11.341  -3.145  -3.145
  579   2HA   GLY  80          2HA       GLY  80  11.438  -4.531  -4.531
  580    H    ALA  81           H        ALA  81  11.344  -6.716  -6.716
  581    HA   ALA  81           HA       ALA  81  13.695  -7.115  -7.115
  582   1HB   ALA  81          3HB       ALA  81  11.108  -8.708  -8.708
  583   2HB   ALA  81          2HB       ALA  81  12.654  -9.285  -9.285
  584   3HB   ALA  81          1HB       ALA  81  12.504  -8.929  -8.929
  585    H    PHE  82           H        PHE  82  10.335  -6.599  -6.599
  586    HA   PHE  82           HA       PHE  82  10.754  -6.681  -6.681
  587   1HB   PHE  82          2HB       PHE  82   8.559  -6.318  -6.318
  588   2HB   PHE  82          1HB       PHE  82   9.091  -4.720  -4.720
  589    HD1  PHE  82           HD1      PHE  82   8.178  -6.901  -6.901
  590    HD2  PHE  82           HD2      PHE  82   9.083  -2.864  -2.864
  591    HE1  PHE  82           HE1      PHE  82   7.526  -6.071  -6.071
  592    HE2  PHE  82           HE2      PHE  82   8.501  -2.056  -2.056
  593    HZ   PHE  82           HZ       PHE  82   7.774  -3.683  -3.683
  594    H    LEU  83           H        LEU  83  11.423  -3.807  -3.807
  595    HA   LEU  83           HA       LEU  83  12.118  -2.096  -2.096
  596   1HB   LEU  83          2HB       LEU  83  12.503  -1.930  -1.930
  597   2HB   LEU  83          1HB       LEU  83  12.972  -0.725  -0.725
  598    HG   LEU  83           HG       LEU  83  10.379  -1.037  -1.037
  599   1HD1  LEU  83          2HD2      LEU  83  10.432  -1.376  -1.376
  600   2HD1  LEU  83          3HD2      LEU  83   9.006  -1.015  -1.015
  601   3HD1  LEU  83          1HD2      LEU  83   9.832  -2.578  -2.578
  602   1HD2  LEU  83          2HD1      LEU  83  11.553   1.116   1.116
  603   2HD2  LEU  83          3HD1      LEU  83   9.937   1.053   1.053
  604   3HD2  LEU  83          1HD1      LEU  83  11.368   0.771   0.771
  605    H    LYS  84           HN       LYS  84  13.879  -3.957  -3.957
  606    HA   LYS  84           HA       LYS  84  16.506  -3.275  -3.275
  607   1HB   LYS  84          2HB       LYS  84  15.333  -5.842  -5.842
  608   2HB   LYS  84          1HB       LYS  84  17.075  -5.622  -5.622
  609   1HG   LYS  84          1HG       LYS  84  17.163  -3.715  -3.715
  610   2HG   LYS  84          2HG       LYS  84  15.387  -3.629  -3.629
  611   1HD   LYS  84          2HD       LYS  84  15.223  -5.490  -5.490
  612   2HD   LYS  84          1HD       LYS  84  16.850  -6.079  -6.079
  613   1HE   LYS  84          2HE       LYS  84  16.768  -5.010  -5.010
  614   2HE   LYS  84          1HE       LYS  84  17.913  -4.239  -4.239
  615   1HZ   LYS  84          3HZ       LYS  84  16.191  -2.595  -2.595
  616   2HZ   LYS  84          1HZ       LYS  84  15.249  -3.242  -3.242
  617   3HZ   LYS  84          2HZ       LYS  84  16.721  -2.573  -2.573
  618    H    GLU  85           HN       GLU  85  14.528  -5.955  -5.955
  619    HA   GLU  85           HA       GLU  85  16.248  -7.159  -7.159
  620   1HB   GLU  85          2HB       GLU  85  13.942  -7.858  -7.858
  621   2HB   GLU  85          1HB       GLU  85  13.335  -6.354  -6.354
  622   1HG   GLU  85          2HG       GLU  85  14.303  -6.939  -6.939
  623   2HG   GLU  85          1HG       GLU  85  14.933  -8.431  -8.431
  624    H    LYS  86           HN       LYS  86  14.336  -4.263  -4.263
  625    HA   LYS  86           HA       LYS  86  15.637  -3.931  -3.931
  626   1HB   LYS  86          2HB       LYS  86  13.545  -2.193  -2.193
  627   2HB   LYS  86          1HB       LYS  86  14.025  -2.177  -2.177
  628   1HG   LYS  86          2HG       LYS  86  13.332  -4.631  -4.631
  629   2HG   LYS  86          1HG       LYS  86  12.637  -4.440  -4.440
  630   1HD   LYS  86          1HD       LYS  86  11.229  -2.547  -2.547
  631   2HD   LYS  86          2HD       LYS  86  11.810  -2.927  -2.927
  632   1HE   LYS  86          1HE       LYS  86  10.273  -4.792  -4.792
  633   2HE   LYS  86          2HE       LYS  86   9.624  -3.986  -3.986
  634   1HZ   LYS  86          1HZ       LYS  86  11.253  -5.250  -5.250
  635   2HZ   LYS  86          2HZ       LYS  86  11.673  -6.076  -6.076
  636   3HZ   LYS  86          3HZ       LYS  86  10.146  -6.191  -6.191
  637    H    LEU  87           H        LEU  87  15.452  -1.988  -1.988
  638    HA   LEU  87           HA       LEU  87  17.131   0.071   0.071
  639   1HB   LEU  87          2HB       LEU  87  15.236   0.457   0.457
  640   2HB   LEU  87          1HB       LEU  87  16.161  -0.353  -0.353
  641    HG   LEU  87           HG       LEU  87  17.857   1.437   1.437
  642   1HD1  LEU  87          1HD2      LEU  87  16.083   2.658   2.658
  643   2HD1  LEU  87          3HD2      LEU  87  17.370   3.529   3.529
  644   3HD1  LEU  87          2HD2      LEU  87  17.784   2.160   2.160
  645   1HD2  LEU  87          2HD1      LEU  87  15.843   1.669   1.669
  646   2HD2  LEU  87          1HD1      LEU  87  16.491   3.230   3.230
  647   3HD2  LEU  87          3HD1      LEU  87  15.036   2.570   2.570
  648    H    ASP  88           HN       ASP  88  17.791  -2.836  -2.836
  649    HA   ASP  88           HA       ASP  88  19.546  -3.703  -3.703
  650   1HB   ASP  88          2HB       ASP  88  20.039  -4.009  -4.009
  651   2HB   ASP  88          1HB       ASP  88  20.750  -2.396  -2.396
  652    H    ASP  89           HN       ASP  89  19.022  -2.005  -2.005
  653    HA   ASP  89           HA       ASP  89  21.570  -0.836  -0.836
  654   1HB   ASP  89          2HB       ASP  89  20.379   0.951   0.951
  655   2HB   ASP  89          1HB       ASP  89  19.028   0.848   0.848
  656    H    LYS  90           HN       LYS  90  21.720  -0.895  -0.895
  657    HA   LYS  90           HA       LYS  90  20.109  -2.659  -2.659
  658   1HB   LYS  90          2HB       LYS  90  22.465  -2.049  -2.049
  659   2HB   LYS  90          1HB       LYS  90  21.957  -0.406  -0.406
  660   1HG   LYS  90          2HG       LYS  90  20.612  -1.303  -1.303
  661   2HG   LYS  90          1HG       LYS  90  21.053  -2.961  -2.961
  662   1HD   LYS  90          1HD       LYS  90  23.456  -2.416  -2.416
  663   2HD   LYS  90          2HD       LYS  90  23.018  -0.776  -0.776
  664   1HE   LYS  90          2HE       LYS  90  22.136  -3.352  -3.352
  665   2HE   LYS  90          1HE       LYS  90  23.460  -2.300  -2.300
  666   1HZ   LYS  90          3HZ       LYS  90  21.878  -0.533  -0.533
  667   2HZ   LYS  90          1HZ       LYS  90  20.638  -1.520  -1.520
  668   3HZ   LYS  90          2HZ       LYS  90  21.481  -1.838  -1.838
  669    H    LYS  91           HN       LYS  91  19.976   0.903   0.903
  670    HA   LYS  91           HA       LYS  91  17.837   1.116   1.116
  671   1HB   LYS  91          2HB       LYS  91  17.840   3.502   3.502
  672   2HB   LYS  91          1HB       LYS  91  19.452   2.923   2.923
  673   1HG   LYS  91          1HG       LYS  91  20.296   3.288   3.288
  674   2HG   LYS  91          2HG       LYS  91  18.730   3.072   3.072
  675   1HD   LYS  91          1HD       LYS  91  17.964   5.249   5.249
  676   2HD   LYS  91          2HD       LYS  91  19.502   5.473   5.473
  677   1HE   LYS  91          2HE       LYS  91  20.731   5.406   5.406
  678   2HE   LYS  91          1HE       LYS  91  19.215   5.110   5.110
  679   1HZ   LYS  91          1HZ       LYS  91  19.794   7.521   7.521
  680   2HZ   LYS  91          2HZ       LYS  91  19.862   7.398   7.398
  681   3HZ   LYS  91          3HZ       LYS  91  18.421   7.212   7.212
  682    H    ALA  92           H        ALA  92  17.543  -0.329  -0.329
  683    HA   ALA  92           HA       ALA  92  15.232   1.112   1.112
  684   1HB   ALA  92          3HB       ALA  92  16.794  -0.182  -0.182
  685   2HB   ALA  92          1HB       ALA  92  16.302  -1.658  -1.658
  686   3HB   ALA  92          2HB       ALA  92  15.124  -0.759  -0.759
  687    H    LYS  93           HN       LYS  93  14.451   1.094   1.094
  688    HA   LYS  93           HA       LYS  93  13.018  -1.418  -1.418
  689   1HB   LYS  93          2HB       LYS  93  13.533   1.108   1.108
  690   2HB   LYS  93          1HB       LYS  93  12.894  -0.435  -0.435
  691   1HG   LYS  93          1HG       LYS  93  15.056  -1.528  -1.528
  692   2HG   LYS  93          2HG       LYS  93  15.699   0.081   0.081
  693   1HD   LYS  93          1HD       LYS  93  15.078   0.771   0.771
  694   2HD   LYS  93          2HD       LYS  93  14.771  -0.941  -0.941
  695   1HE   LYS  93          2HE       LYS  93  17.410   0.369   0.369
  696   2HE   LYS  93          1HE       LYS  93  17.012  -0.397  -0.397
  697   1HZ   LYS  93          1HZ       LYS  93  16.772  -2.481  -2.481
  698   2HZ   LYS  93          3HZ       LYS  93  17.345  -1.708  -1.708
  699   3HZ   LYS  93          2HZ       LYS  93  18.300  -1.863  -1.863
  700    H    THR  94           H        THR  94  10.935  -0.548  -0.548
  701    HA   THR  94           HA       THR  94   9.455   1.591   1.591
  702    HB   THR  94           HB       THR  94   8.811  -0.123  -0.123
  703    HG1  THR  94           HG1      THR  94   6.603  -0.290  -0.290
  704   1HG2  THR  94          1HG2      THR  94   9.542  -2.153  -2.153
  705   2HG2  THR  94          3HG2      THR  94   8.188  -1.941  -1.941
  706   3HG2  THR  94          2HG2      THR  94   7.872  -2.293  -2.293
  707    H    GLY  95           H        GLY  95   7.694   2.152   2.152
  708   1HA   GLY  95          1HA       GLY  95   8.039   1.485   1.485
  709   2HA   GLY  95          2HA       GLY  95   6.770   2.490   2.490
  710    H    MET  96           H        MET  96   6.409  -0.012  -0.012
  711    HA   MET  96           HA       MET  96   4.171  -0.977  -0.977
  712   1HB   MET  96          1HB       MET  96   4.563  -0.682  -0.682
  713   2HB   MET  96          2HB       MET  96   5.389  -2.247  -2.247
  714   1HG   MET  96          2HG       MET  96   3.270  -3.252  -3.252
  715   2HG   MET  96          1HG       MET  96   2.671  -1.749  -1.749
  716   1HE   MET  96          1HE       MET  96   3.369  -4.386  -4.386
  717   2HE   MET  96          3HE       MET  96   1.684  -4.564  -4.564
  718   3HE   MET  96          2HE       MET  96   2.029  -4.018  -4.018
  719    H    ALA  97           H        ALA  97   5.256  -1.693  -1.693
  720    HA   ALA  97           HA       ALA  97   6.538  -4.312  -4.312
  721   1HB   ALA  97          2HB       ALA  97   6.950  -2.643  -2.643
  722   2HB   ALA  97          1HB       ALA  97   5.242  -2.710  -2.710
  723   3HB   ALA  97          3HB       ALA  97   6.280  -4.139  -4.139
  724    H    PHE  98           H        PHE  98   4.567  -4.845  -4.845
  725    HA   PHE  98           HA       PHE  98   2.853  -6.745  -6.745
  726   1HB   PHE  98          1HB       PHE  98   1.398  -4.909  -4.909
  727   2HB   PHE  98          2HB       PHE  98   1.727  -4.129  -4.129
  728    HD1  PHE  98           HD1      PHE  98  -0.066  -6.989  -6.989
  729    HD2  PHE  98           HD2      PHE  98   0.572  -4.739  -4.739
  730    HE1  PHE  98           HE1      PHE  98  -1.866  -8.272  -8.272
  731    HE2  PHE  98           HE2      PHE  98  -1.217  -6.036  -6.036
  732    HZ   PHE  98           HZ       PHE  98  -2.457  -7.790  -7.790
  733    H    LYS  99           HN       LYS  99   2.031  -8.206  -8.206
  734    HA   LYS  99           HA       LYS  99   2.193  -7.677  -7.677
  735   1HB   LYS  99          1HB       LYS  99   3.694  -9.602  -9.602
  736   2HB   LYS  99          2HB       LYS  99   4.471  -8.299  -8.299
  737   1HG   LYS  99          2HG       LYS  99   4.289  -9.586  -9.586
  738   2HG   LYS  99          1HG       LYS  99   3.532 -10.912 -10.912
  739   1HD   LYS  99          2HD       LYS  99   5.612 -11.080 -11.080
  740   2HD   LYS  99          1HD       LYS  99   6.330  -9.772  -9.772
  741   1HE   LYS  99          2HE       LYS  99   7.183 -11.883 -11.883
  742   2HE   LYS  99          1HE       LYS  99   6.140 -11.185 -11.185
  743   1HZ   LYS  99          2HZ       LYS  99   5.363 -13.272 -13.272
  744   2HZ   LYS  99          3HZ       LYS  99   5.748 -13.521 -13.521
  745   3HZ   LYS  99          1HZ       LYS  99   4.402 -12.658 -12.658
  746    H    LEU 100           H        LEU 100   1.451  -9.657  -9.657
  747    HA   LEU 100           HA       LEU 100  -0.135 -11.518 -11.518
  748   1HB   LEU 100          1HB       LEU 100  -1.408  -9.421  -9.421
  749   2HB   LEU 100          2HB       LEU 100  -1.283 -10.004 -10.004
  750    HG   LEU 100           HG       LEU 100  -2.462 -12.112 -12.112
  751   1HD1  LEU 100          3HD2      LEU 100  -2.694 -10.741 -10.741
  752   2HD1  LEU 100          2HD2      LEU 100  -3.760 -12.061 -12.061
  753   3HD1  LEU 100          1HD2      LEU 100  -2.034 -12.356 -12.356
  754   1HD2  LEU 100          3HD1      LEU 100  -3.676 -10.152 -10.152
  755   2HD2  LEU 100          1HD1      LEU 100  -4.682 -11.104 -11.104
  756   3HD2  LEU 100          2HD1      LEU 100  -3.979  -9.565  -9.565
  757    H    ALA 101           H        ALA 101   0.561 -13.485 -13.485
  758    HA   ALA 101           HA       ALA 101   1.799 -13.933 -13.933
  759   1HB   ALA 101          2HB       ALA 101   2.715 -14.907 -14.907
  760   2HB   ALA 101          1HB       ALA 101   1.222 -15.849 -15.849
  761   3HB   ALA 101          3HB       ALA 101   2.274 -16.156 -16.156
  762    H    LYS 102           HN       LYS 102  -0.831 -13.113 -13.113
  763    HA   LYS 102           HA       LYS 102  -1.970 -14.908 -14.908
  764   1HB   LYS 102          2HB       LYS 102  -4.037 -15.579 -15.579
  765   2HB   LYS 102          1HB       LYS 102  -2.637 -16.332 -16.332
  766   1HG   LYS 102          1HG       LYS 102  -2.669 -14.616 -14.616
  767   2HG   LYS 102          2HG       LYS 102  -4.077 -13.847 -13.847
  768   1HD   LYS 102          1HD       LYS 102  -5.357 -15.986 -15.986
  769   2HD   LYS 102          2HD       LYS 102  -3.949 -16.699 -16.699
  770   1HE   LYS 102          2HE       LYS 102  -5.534 -15.966 -15.966
  771   2HE   LYS 102          1HE       LYS 102  -4.095 -14.939 -14.939
  772   1HZ   LYS 102          3HZ       LYS 102  -6.620 -14.242 -14.242
  773   2HZ   LYS 102          1HZ       LYS 102  -6.130 -13.690 -13.690
  774   3HZ   LYS 102          2HZ       LYS 102  -5.298 -13.269 -13.269
  775    H    GLY 103           H        GLY 103  -4.426 -13.966 -13.966
  776   1HA   GLY 103          1HA       GLY 103  -5.831 -12.170 -12.170
  777   2HA   GLY 103          2HA       GLY 103  -4.916 -11.323 -11.323
  778    H    GLY 104           H        GLY 104  -2.452 -10.970 -10.970
  779   1HA   GLY 104          1HA       GLY 104  -2.203  -8.732  -8.732
  780   2HA   GLY 104          2HA       GLY 104  -1.122 -10.064 -10.064
  781    H    GLU 105           HN       GLU 105  -2.647 -11.704 -11.704
  782    HA   GLU 105           HA       GLU 105  -2.556 -10.253 -10.253
  783   1HB   GLU 105          2HB       GLU 105  -3.473 -12.439 -12.439
  784   2HB   GLU 105          1HB       GLU 105  -1.885 -12.489 -12.489
  785   1HG   GLU 105          1HG       GLU 105  -4.404 -13.250 -13.250
  786   2HG   GLU 105          2HG       GLU 105  -3.557 -14.358 -14.358
  787    H    ASP 106           HN       ASP 106  -5.158 -11.373 -11.373
  788    HA   ASP 106           HA       ASP 106  -7.348 -10.809 -10.809
  789   1HB   ASP 106          2HB       ASP 106  -7.412 -11.036 -11.036
  790   2HB   ASP 106          1HB       ASP 106  -8.733 -11.280 -11.280
  791    H    VAL 107           H        VAL 107  -5.804  -9.240  -9.240
  792    HA   VAL 107           HA       VAL 107  -7.358  -6.857  -6.857
  793    HB   VAL 107           HB       VAL 107  -4.546  -7.556  -7.556
  794   1HG1  VAL 107          3HG1      VAL 107  -6.161  -5.031  -5.031
  795   2HG1  VAL 107          1HG1      VAL 107  -4.757  -5.554  -5.554
  796   3HG1  VAL 107          2HG1      VAL 107  -4.555  -5.143  -5.143
  797   1HG2  VAL 107          2HG2      VAL 107  -6.444  -8.765  -8.765
  798   2HG2  VAL 107          3HG2      VAL 107  -5.621  -7.658  -7.658
  799   3HG2  VAL 107          1HG2      VAL 107  -7.181  -7.201  -7.201
  800    H    ALA 108           H        ALA 108  -4.277  -7.655  -7.655
  801    HA   ALA 108           HA       ALA 108  -3.912  -5.123  -5.123
  802   1HB   ALA 108          1HB       ALA 108  -3.138  -7.903  -7.903
  803   2HB   ALA 108          2HB       ALA 108  -2.575  -6.377  -6.377
  804   3HB   ALA 108          3HB       ALA 108  -2.157  -6.792  -6.792
  805    H    ALA 109           H        ALA 109  -5.694  -8.022  -8.022
  806    HA   ALA 109           HA       ALA 109  -6.568  -6.825  -6.825
  807   1HB   ALA 109          2HB       ALA 109  -7.936  -8.949  -8.949
  808   2HB   ALA 109          3HB       ALA 109  -8.340  -8.545  -8.545
  809   3HB   ALA 109          1HB       ALA 109  -6.745  -9.215  -9.215
  810    H    TYR 110           H        TYR 110  -8.058  -6.832  -6.832
  811    HA   TYR 110           HA       TYR 110 -10.400  -5.389  -5.389
  812   1HB   TYR 110          1HB       TYR 110 -10.250  -6.468  -6.468
  813   2HB   TYR 110          2HB       TYR 110  -8.773  -5.632  -5.632
  814    HD1  TYR 110           HD2      TYR 110 -12.322  -4.778  -4.778
  815    HD2  TYR 110           HD1      TYR 110  -8.902  -3.864  -3.864
  816    HE1  TYR 110           HE2      TYR 110 -13.612  -2.994  -2.994
  817    HE2  TYR 110           HE1      TYR 110 -10.211  -2.126  -2.126
  818    HH   TYR 110           HH       TYR 110 -12.225  -1.048  -1.048
  819    H    LEU 111           H        LEU 111  -7.217  -4.134  -4.134
  820    HA   LEU 111           HA       LEU 111  -7.840  -1.402  -1.402
  821   1HB   LEU 111          1HB       LEU 111  -5.231  -2.917  -2.917
  822   2HB   LEU 111          2HB       LEU 111  -5.298  -1.154  -1.154
  823    HG   LEU 111           HG       LEU 111  -6.526  -2.692  -2.692
  824   1HD1  LEU 111          2HD2      LEU 111  -3.653  -1.721  -1.721
  825   2HD1  LEU 111          3HD2      LEU 111  -4.406  -2.322  -2.322
  826   3HD1  LEU 111          1HD2      LEU 111  -4.188  -3.410  -3.410
  827   1HD2  LEU 111          3HD1      LEU 111  -5.427   0.142   0.142
  828   2HD2  LEU 111          1HD1      LEU 111  -7.143  -0.292  -0.292
  829   3HD2  LEU 111          2HD1      LEU 111  -6.086  -0.545  -0.545
  830    H    ALA 112           H        ALA 112  -6.379  -3.536  -3.536
  831    HA   ALA 112           HA       ALA 112  -6.186  -1.662  -1.662
  832   1HB   ALA 112          2HB       ALA 112  -5.250  -3.938  -3.938
  833   2HB   ALA 112          1HB       ALA 112  -6.887  -4.611  -4.611
  834   3HB   ALA 112          3HB       ALA 112  -6.229  -3.560  -3.560
  835    H    SER 113           H        SER 113  -9.029  -3.564  -3.564
  836    HA   SER 113           HA       SER 113 -10.767  -2.550  -2.550
  837   1HB   SER 113          2HB       SER 113 -11.542  -3.908  -3.908
  838   2HB   SER 113          1HB       SER 113 -12.488  -3.792  -3.792
  839    HG   SER 113           HG       SER 113 -10.011  -5.173  -5.173
  840    H    VAL 114           H        VAL 114  -9.633  -1.161  -1.161
  841    HA   VAL 114           HA       VAL 114 -12.068   0.448   0.448
  842    HB   VAL 114           HB       VAL 114  -9.434  -0.008  -0.008
  843   1HG1  VAL 114          3HG1      VAL 114 -11.475   2.097   2.097
  844   2HG1  VAL 114          1HG1      VAL 114 -10.114   1.575   1.575
  845   3HG1  VAL 114          2HG1      VAL 114  -9.786   2.384   2.384
  846   1HG2  VAL 114          1HG2      VAL 114 -11.421  -1.575  -1.575
  847   2HG2  VAL 114          2HG2      VAL 114 -10.842  -0.770  -0.770
  848   3HG2  VAL 114          3HG2      VAL 114 -12.310  -0.194  -0.194
  849    H    VAL 115           H        VAL 115  -8.749   0.739   0.739
  850    HA   VAL 115           HA       VAL 115  -9.086   3.612   3.612
  851    HB   VAL 115           HB       VAL 115  -6.978   2.656   2.656
  852   1HG1  VAL 115          3HG2      VAL 115  -6.918   0.540   0.540
  853   2HG1  VAL 115          1HG2      VAL 115  -6.844   1.334   1.334
  854   3HG1  VAL 115          2HG2      VAL 115  -5.514   1.518   1.518
  855   1HG2  VAL 115          2HG1      VAL 115  -7.084   4.823   4.823
  856   2HG2  VAL 115          1HG1      VAL 115  -5.584   3.954   3.954
  857   3HG2  VAL 115          3HG1      VAL 115  -6.881   4.011   4.011
  858    H    LYS 116           HN       LYS 116 -11.227   2.864   2.864
  859    HA   LYS 116           HA       LYS 116 -12.645   2.972   2.972
  860   1HB   LYS 116          1HB       LYS 116 -10.314   3.910   3.910
  861   2HB   LYS 116          2HB       LYS 116 -12.030   3.960   3.960
  862   1HG   LYS 116          1HG       LYS 116 -11.684   6.114   6.114
  863   2HG   LYS 116          2HG       LYS 116 -12.305   5.400   5.400
  864   1HD   LYS 116          2HD       LYS 116  -9.971   5.290   5.290
  865   2HD   LYS 116          1HD       LYS 116  -9.345   5.833   5.833
  866   1HE   LYS 116          2HE       LYS 116  -9.367   7.670   7.670
  867   2HE   LYS 116          1HE       LYS 116 -10.547   8.008   8.008
  868   1HZ   LYS 116          3HZ       LYS 116 -11.169   6.871   6.871
  869   2HZ   LYS 116          2HZ       LYS 116 -11.385   8.450   8.450
  870   3HZ   LYS 116          1HZ       LYS 116 -12.265   7.265   7.265
  871    HHA  HEC 117           HHA      HEM 117   3.146   2.447   2.447
  872    HHB  HEC 117           HHB      HEM 117  -0.761  -1.731  -1.731
  873    HHC  HEC 117           HHC      HEM 117  -2.782  -3.601  -3.601
  874    HHD  HEC 117           HHD      HEM 117   1.930  -0.203  -0.203
  875   1HMA  HEC 117          1HMA      HEM 117   1.331  -1.612  -1.612
  876   2HMA  HEC 117          2HMA      HEM 117   0.444  -0.100  -0.100
  877   3HMA  HEC 117          3HMA      HEM 117   2.220  -0.154  -0.154
  878   1HAA  HEC 117          1HAA      HEM 117   3.491   2.555   2.555
  879   2HAA  HEC 117          2HAA      HEM 117   3.608   1.424   1.424
  880   1HBA  HEC 117          1HBA      HEM 117   1.530   2.258   2.258
  881   2HBA  HEC 117          2HBA      HEM 117   1.197   3.221   3.221
  882   1HMB  HEC 117          1HMB      HEM 117  -3.936  -3.648  -3.648
  883   2HMB  HEC 117          2HMB      HEM 117  -3.489  -2.001  -2.001
  884   3HMB  HEC 117          3HMB      HEM 117  -2.410  -3.378  -3.378
  885    HAB  HEC 117           HAB      HEM 117  -4.442  -2.609  -2.609
  886   1HBB  HEC 117          1HBB      HEM 117  -6.302  -2.055  -2.055
  887   2HBB  HEC 117          2HBB      HEM 117  -5.629  -2.821  -2.821
  888   3HBB  HEC 117          3HBB      HEM 117  -4.970  -1.277  -1.277
  889   1HMC  HEC 117          1HMC      HEM 117  -2.321  -3.313  -3.313
  890   2HMC  HEC 117          2HMC      HEM 117  -3.356  -2.971  -2.971
  891   3HMC  HEC 117          3HMC      HEM 117  -2.289  -4.389  -4.389
  892    HAC  HEC 117           HAC      HEM 117   0.280  -0.336  -0.336
  893   1HBC  HEC 117          1HBC      HEM 117   0.019  -1.806  -1.806
  894   2HBC  HEC 117          2HBC      HEM 117  -0.567  -3.120  -3.120
  895   3HBC  HEC 117          3HBC      HEM 117   1.096  -2.525  -2.525
  896   1HMD  HEC 117          1HMD      HEM 117   2.500   2.963   2.963
  897   2HMD  HEC 117          2HMD      HEM 117   3.439   1.471   1.471
  898   3HMD  HEC 117          3HMD      HEM 117   4.188   2.865   2.865
  899   1HAD  HEC 117          1HAD      HEM 117   4.101   4.104   4.104
  900   2HAD  HEC 117          2HAD      HEM 117   3.652   4.054   4.054
  901   1HBD  HEC 117          1HBD      HEM 117   5.442   2.504   2.504
  902   2HBD  HEC 117          2HBD      HEM 117   5.677   2.140   2.140

  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -6.956 -10.637 -10.637
    2   2H    GLY   1          2H        GLY   1  -7.166 -12.258 -12.258
    3   1HA   GLY   1          1HA       GLY   1  -6.804 -12.924 -12.924
    4   2HA   GLY   1          2HA       GLY   1  -6.539 -11.227 -11.227
    5    H    ASP   2           HN       ASP   2  -8.482 -12.944 -12.944
    6    HA   ASP   2           HA       ASP   2 -11.132 -12.400 -12.400
    7   1HB   ASP   2          2HB       ASP   2 -10.253 -13.556 -13.556
    8   2HB   ASP   2          1HB       ASP   2 -11.931 -13.358 -13.358
    9    H    ALA   3           H        ALA   3 -10.757 -10.068 -10.068
   10    HA   ALA   3           HA       ALA   3 -10.439  -8.197  -8.197
   11   1HB   ALA   3          2HB       ALA   3 -12.652  -8.202  -8.202
   12   2HB   ALA   3          3HB       ALA   3 -12.062  -6.764  -6.764
   13   3HB   ALA   3          1HB       ALA   3 -10.975  -7.660  -7.660
   14    H    ALA   4           H        ALA   4 -13.452 -10.078 -10.078
   15    HA   ALA   4           HA       ALA   4 -15.023  -8.769  -8.769
   16   1HB   ALA   4          2HB       ALA   4 -15.928 -10.401 -10.401
   17   2HB   ALA   4          1HB       ALA   4 -15.009 -11.707 -11.707
   18   3HB   ALA   4          3HB       ALA   4 -16.306 -10.876 -10.876
   19    H    LYS   5           HN       LYS   5 -12.616 -11.408 -11.408
   20    HA   LYS   5           HA       LYS   5 -13.126 -11.860 -11.860
   21   1HB   LYS   5          1HB       LYS   5 -10.704 -12.547 -12.547
   22   2HB   LYS   5          2HB       LYS   5 -11.033 -13.163 -13.163
   23   1HG   LYS   5          2HG       LYS   5 -12.920 -13.676 -13.676
   24   2HG   LYS   5          1HG       LYS   5 -11.490 -14.666 -14.666
   25   1HD   LYS   5          1HD       LYS   5 -12.366 -15.268 -15.268
   26   2HD   LYS   5          2HD       LYS   5 -13.759 -14.194 -14.194
   27   1HE   LYS   5          1HE       LYS   5 -14.344 -16.559 -16.559
   28   2HE   LYS   5          2HE       LYS   5 -14.559 -15.535 -15.535
   29   1HZ   LYS   5          1HZ       LYS   5 -12.225 -17.245 -17.245
   30   2HZ   LYS   5          2HZ       LYS   5 -13.477 -17.610 -17.610
   31   3HZ   LYS   5          3HZ       LYS   5 -12.486 -16.345 -16.345
   32    H    GLY   6           H        GLY   6 -10.851 -10.116 -10.116
   33   1HA   GLY   6          1HA       GLY   6  -9.057  -8.994  -8.994
   34   2HA   GLY   6          2HA       GLY   6  -9.641  -8.204  -8.204
   35    H    GLU   7           HN       GLU   7 -12.247  -7.602  -7.602
   36    HA   GLU   7           HA       GLU   7 -12.200  -5.313  -5.313
   37   1HB   GLU   7          1HB       GLU   7 -13.933  -5.714  -5.714
   38   2HB   GLU   7          2HB       GLU   7 -14.550  -7.093  -7.093
   39   1HG   GLU   7          1HG       GLU   7 -16.012  -5.183  -5.183
   40   2HG   GLU   7          2HG       GLU   7 -15.292  -5.607  -5.607
   41    H    LYS   8           HN       LYS   8 -13.507  -8.564  -8.564
   42    HA   LYS   8           HA       LYS   8 -14.205  -7.793  -7.793
   43   1HB   LYS   8          1HB       LYS   8 -13.433 -10.554 -10.554
   44   2HB   LYS   8          2HB       LYS   8 -14.360 -10.192 -10.192
   45   1HG   LYS   8          2HG       LYS   8 -15.255  -9.653  -9.653
   46   2HG   LYS   8          1HG       LYS   8 -15.764 -10.975 -10.975
   47   1HD   LYS   8          1HD       LYS   8 -16.749  -9.310  -9.310
   48   2HD   LYS   8          2HD       LYS   8 -16.252  -8.002  -8.002
   49   1HE   LYS   8          2HE       LYS   8 -18.590  -8.464  -8.464
   50   2HE   LYS   8          1HE       LYS   8 -17.668  -8.927  -8.927
   51   1HZ   LYS   8          3HZ       LYS   8 -18.611 -10.765 -10.765
   52   2HZ   LYS   8          2HZ       LYS   8 -19.308 -10.556 -10.556
   53   3HZ   LYS   8          1HZ       LYS   8 -17.796 -11.198 -11.198
   54    H    GLU   9           HN       GLU   9 -11.310  -9.353  -9.353
   55    HA   GLU   9           HA       GLU   9  -9.853  -9.712  -9.712
   56   1HB   GLU   9          2HB       GLU   9  -9.410 -10.652 -10.652
   57   2HB   GLU   9          1HB       GLU   9  -8.719  -9.079  -9.079
   58   1HG   GLU   9          2HG       GLU   9  -7.084  -9.343  -9.343
   59   2HG   GLU   9          1HG       GLU   9  -7.766 -10.955 -10.955
   60    H    PHE  10           H        PHE  10 -10.212  -6.867  -6.867
   61    HA   PHE  10           HA       PHE  10  -8.256  -5.207  -5.207
   62   1HB   PHE  10          1HB       PHE  10 -10.014  -4.813  -4.813
   63   2HB   PHE  10          2HB       PHE  10 -11.006  -4.109  -4.109
   64    HD1  PHE  10           HD1      PHE  10  -7.850  -3.810  -3.810
   65    HD2  PHE  10           HD2      PHE  10 -10.323  -2.003  -2.003
   66    HE1  PHE  10           HE1      PHE  10  -6.313  -1.877  -1.877
   67    HE2  PHE  10           HE2      PHE  10  -8.794  -0.049  -0.049
   68    HZ   PHE  10           HZ       PHE  10  -6.778   0.009   0.009
   69    H    ASN  11           H        ASN  11 -11.071  -6.369  -6.369
   70    HA   ASN  11           HA       ASN  11 -11.530  -4.433  -4.433
   71   1HB   ASN  11          2HB       ASN  11 -12.791  -6.526  -6.526
   72   2HB   ASN  11          1HB       ASN  11 -11.322  -7.463  -7.463
   73   1HD2  ASN  11          2HD2      ASN  11 -13.086  -5.393  -5.393
   74   2HD2  ASN  11          1HD2      ASN  11 -13.414  -4.889  -4.889
   75    H    LYS  12           HN       LYS  12  -8.736  -6.625  -6.625
   76    HA   LYS  12           HA       LYS  12  -7.535  -5.951  -5.951
   77   1HB   LYS  12          1HB       LYS  12  -6.374  -7.134  -7.134
   78   2HB   LYS  12          2HB       LYS  12  -5.505  -6.983  -6.983
   79   1HG   LYS  12          1HG       LYS  12  -7.216  -8.363  -8.363
   80   2HG   LYS  12          2HG       LYS  12  -8.092  -8.571  -8.571
   81   1HD   LYS  12          1HD       LYS  12  -5.213  -9.483  -9.483
   82   2HD   LYS  12          2HD       LYS  12  -6.648 -10.510 -10.510
   83   1HE   LYS  12          1HE       LYS  12  -7.219 -10.003 -10.003
   84   2HE   LYS  12          2HE       LYS  12  -5.686  -9.127  -9.127
   85   1HZ   LYS  12          3HZ       LYS  12  -4.545 -11.147 -11.147
   86   2HZ   LYS  12          2HZ       LYS  12  -5.972 -11.965 -11.965
   87   3HZ   LYS  12          1HZ       LYS  12  -5.489 -11.354 -11.354
   88    H    CYS  13           H        CYS  13  -6.836  -4.982  -4.982
   89    HA   CYS  13           HA       CYS  13  -4.777  -3.135  -3.135
   90   1HB   CYS  13          1HB       CYS  13  -6.938  -2.910  -2.910
   91   2HB   CYS  13          2HB       CYS  13  -5.342  -2.144  -2.144
   92    H    LYS  14           HN       LYS  14  -8.274  -2.687  -2.687
   93    HA   LYS  14           HA       LYS  14  -8.705  -0.026  -0.026
   94   1HB   LYS  14          1HB       LYS  14 -10.374  -1.889  -1.889
   95   2HB   LYS  14          2HB       LYS  14 -10.087  -2.060  -2.060
   96   1HG   LYS  14          2HG       LYS  14 -10.870   0.252   0.252
   97   2HG   LYS  14          1HG       LYS  14 -11.119   0.435   0.435
   98   1HD   LYS  14          2HD       LYS  14 -12.776  -1.422  -1.422
   99   2HD   LYS  14          1HD       LYS  14 -12.520  -1.583  -1.583
  100   1HE   LYS  14          2HE       LYS  14 -13.284   0.775   0.775
  101   2HE   LYS  14          1HE       LYS  14 -13.556   0.917   0.917
  102   1HZ   LYS  14          1HZ       LYS  14 -15.178  -0.827  -0.827
  103   2HZ   LYS  14          3HZ       LYS  14 -14.921  -0.958  -0.958
  104   3HZ   LYS  14          2HZ       LYS  14 -15.556   0.428   0.428
  105    H    THR  15           H        THR  15  -7.424  -2.012  -2.012
  106    HA   THR  15           HA       THR  15  -7.763  -0.288  -0.288
  107    HB   THR  15           HB       THR  15  -5.367  -2.109  -2.109
  108    HG1  THR  15           HG1      THR  15  -7.036  -3.410  -3.410
  109   1HG2  THR  15          3HG2      THR  15  -6.891  -1.344  -1.344
  110   2HG2  THR  15          2HG2      THR  15  -5.565  -2.520  -2.520
  111   3HG2  THR  15          1HG2      THR  15  -5.250  -0.809  -0.809
  112    H    CYS  16           H        CYS  16  -5.435  -0.141  -0.141
  113    HA   CYS  16           HA       CYS  16  -4.087   2.215   2.215
  114   1HB   CYS  16          2HB       CYS  16  -3.094  -0.103  -0.103
  115   2HB   CYS  16          1HB       CYS  16  -2.169   1.392   1.392
  116    H    HIS  17           HN       HIS  17  -5.673   0.913   0.913
  117    HA   HIS  17           HA       HIS  17  -4.946   3.370   3.370
  118   1HB   HIS  17          1HB       HIS  17  -5.462   0.477   0.477
  119   2HB   HIS  17          2HB       HIS  17  -5.349   1.808   1.808
  120    HD1  HIS  17           HD1      HIS  17  -3.072   3.152   3.152
  121    HD2  HIS  17           HD2      HIS  17  -2.902  -0.495  -0.495
  122    HE1  HIS  17           HE1      HIS  17  -0.653   2.423   2.423
  123    H    SER  18           H        SER  18  -6.479   4.030   4.030
  124    HA   SER  18           HA       SER  18  -9.289   3.148   3.148
  125   1HB   SER  18          2HB       SER  18  -9.778   5.668   5.668
  126   2HB   SER  18          1HB       SER  18  -9.000   5.005   5.005
  127    HG   SER  18           HG       SER  18  -7.223   5.957   5.957
  128    H    ILE  19           H        ILE  19 -10.543   4.165   4.165
  129    HA   ILE  19           HA       ILE  19  -9.043   4.713   4.713
  130    HB   ILE  19           HB       ILE  19 -11.124   2.509   2.509
  131   1HG1  ILE  19          1HG1      ILE  19  -9.238   1.528   1.528
  132   2HG1  ILE  19          2HG1      ILE  19  -8.216   2.655   2.655
  133   1HG2  ILE  19          3HG2      ILE  19 -11.790   3.937   3.937
  134   2HG2  ILE  19          2HG2      ILE  19 -10.167   3.687   3.687
  135   3HG2  ILE  19          1HG2      ILE  19 -11.278   2.325   2.325
  136   1HD1  ILE  19          1HD1      ILE  19  -8.945   1.490   1.490
  137   2HD1  ILE  19          2HD1      ILE  19  -9.901   0.379   0.379
  138   3HD1  ILE  19          3HD1      ILE  19  -8.142   0.433   0.433
  139    H    ILE  20           H        ILE  20  -9.721   6.759   6.759
  140    HA   ILE  20           HA       ILE  20 -12.530   7.481   7.481
  141    HB   ILE  20           HB       ILE  20 -10.764   8.106   8.106
  142   1HG1  ILE  20          1HG1      ILE  20 -12.013  10.688  10.688
  143   2HG1  ILE  20          2HG1      ILE  20 -13.117   9.339   9.339
  144   1HG2  ILE  20          2HG2      ILE  20  -9.038   8.927   8.927
  145   2HG2  ILE  20          1HG2      ILE  20 -10.043  10.353  10.353
  146   3HG2  ILE  20          3HG2      ILE  20  -9.360  10.014  10.014
  147   1HD1  ILE  20          1HD1      ILE  20 -12.198   8.877   8.877
  148   2HD1  ILE  20          2HD1      ILE  20 -11.144  10.295  10.295
  149   3HD1  ILE  20          3HD1      ILE  20 -12.914  10.498  10.498
  150    H    ALA  21           H        ALA  21 -13.499   8.805   8.805
  151    HA   ALA  21           HA       ALA  21 -12.066   9.216   9.216
  152   1HB   ALA  21          1HB       ALA  21 -14.529   8.810   8.810
  153   2HB   ALA  21          2HB       ALA  21 -14.712  10.400  10.400
  154   3HB   ALA  21          3HB       ALA  21 -14.095  10.282  10.282
  155    HA   PRO  22           HA       PRO  22 -10.068  13.077  13.077
  156   1HB   PRO  22          2HB       PRO  22 -11.469  14.154  14.154
  157   2HB   PRO  22          1HB       PRO  22  -9.767  14.385  14.385
  158   1HG   PRO  22          1HG       PRO  22 -10.366  12.512  12.512
  159   2HG   PRO  22          2HG       PRO  22  -9.247  12.095  12.095
  160   1HD   PRO  22          1HD       PRO  22 -12.181  11.403  11.403
  161   2HD   PRO  22          2HD       PRO  22 -10.802  10.404  10.404
  162    H    ASP  23           HN       ASP  23 -13.477  13.373  13.373
  163    HA   ASP  23           HA       ASP  23 -13.995  15.908  15.908
  164   1HB   ASP  23          2HB       ASP  23 -16.391  15.213  15.213
  165   2HB   ASP  23          1HB       ASP  23 -15.371  15.093  15.093
  166    H    GLY  24           H        GLY  24 -13.436  12.895  12.895
  167   1HA   GLY  24          1HA       GLY  24 -13.380  12.809  12.809
  168   2HA   GLY  24          2HA       GLY  24 -14.798  13.841  13.841
  169    H    THR  25           H        THR  25 -15.756  11.749  11.749
  170    HA   THR  25           HA       THR  25 -17.438  10.257  10.257
  171    HB   THR  25           HB       THR  25 -16.611   9.490   9.490
  172    HG1  THR  25           HG1      THR  25 -17.549  11.548  11.548
  173   1HG2  THR  25          2HG2      THR  25 -19.025   8.725   8.725
  174   2HG2  THR  25          3HG2      THR  25 -18.803   8.353   8.353
  175   3HG2  THR  25          1HG2      THR  25 -17.725   7.627   7.627
  176    H    GLU  26           HN       GLU  26 -16.625   9.085   9.085
  177    HA   GLU  26           HA       GLU  26 -14.152   7.571   7.571
  178   1HB   GLU  26          1HB       GLU  26 -14.959   7.016   7.016
  179   2HB   GLU  26          2HB       GLU  26 -14.377   8.619   8.619
  180   1HG   GLU  26          2HG       GLU  26 -16.320   8.673   8.673
  181   2HG   GLU  26          1HG       GLU  26 -16.488   9.636   9.636
  182    H    ILE  27           H        ILE  27 -14.878   6.243   6.243
  183    HA   ILE  27           HA       ILE  27 -16.805   4.235   4.235
  184    HB   ILE  27           HB       ILE  27 -14.011   3.907   3.907
  185   1HG1  ILE  27          1HG1      ILE  27 -15.799   4.476   4.476
  186   2HG1  ILE  27          2HG1      ILE  27 -16.314   5.590   5.590
  187   1HG2  ILE  27          1HG2      ILE  27 -16.636   2.513   2.513
  188   2HG2  ILE  27          3HG2      ILE  27 -15.107   2.319   2.319
  189   3HG2  ILE  27          2HG2      ILE  27 -15.226   1.777   1.777
  190   1HD1  ILE  27          1HD1      ILE  27 -13.858   6.305   6.305
  191   2HD1  ILE  27          3HD1      ILE  27 -13.535   5.251   5.251
  192   3HD1  ILE  27          2HD1      ILE  27 -14.620   6.646   6.646
  193    H    VAL  28           H        VAL  28 -13.469   4.203   4.203
  194    HA   VAL  28           HA       VAL  28 -14.363   1.954   1.954
  195    HB   VAL  28           HB       VAL  28 -11.573   2.343   2.343
  196   1HG1  VAL  28          2HG1      VAL  28 -12.713   0.396   0.396
  197   2HG1  VAL  28          1HG1      VAL  28 -11.119   0.267   0.267
  198   3HG1  VAL  28          3HG1      VAL  28 -11.472   1.639   1.639
  199   1HG2  VAL  28          2HG2      VAL  28 -13.635   0.115   0.115
  200   2HG2  VAL  28          3HG2      VAL  28 -13.081   1.230   1.230
  201   3HG2  VAL  28          1HG2      VAL  28 -11.960   0.054   0.054
  202    H    LYS  29           HN       LYS  29 -14.919   2.996   2.996
  203    HA   LYS  29           HA       LYS  29 -13.722   5.431   5.431
  204   1HB   LYS  29          1HB       LYS  29 -15.624   3.437   3.437
  205   2HB   LYS  29          2HB       LYS  29 -15.282   5.087   5.087
  206   1HG   LYS  29          1HG       LYS  29 -16.285   6.004   6.004
  207   2HG   LYS  29          2HG       LYS  29 -16.541   4.392   4.392
  208   1HD   LYS  29          1HD       LYS  29 -18.627   5.149   5.149
  209   2HD   LYS  29          2HD       LYS  29 -18.051   3.825   3.825
  210   1HE   LYS  29          2HE       LYS  29 -19.058   5.670   5.670
  211   2HE   LYS  29          1HE       LYS  29 -17.368   5.415   5.415
  212   1HZ   LYS  29          1HZ       LYS  29 -18.293   7.453   7.453
  213   2HZ   LYS  29          3HZ       LYS  29 -17.994   7.742   7.742
  214   3HZ   LYS  29          2HZ       LYS  29 -16.770   7.282   7.282
  215    H    GLY  30           H        GLY  30 -11.541   4.060   4.060
  216   1HA   GLY  30          1HA       GLY  30 -10.882   2.563   2.563
  217   2HA   GLY  30          2HA       GLY  30 -10.008   2.504   2.504
  218    H    ALA  31           H        ALA  31  -8.294   2.886   2.886
  219    HA   ALA  31           HA       ALA  31  -8.093   5.653   5.653
  220   1HB   ALA  31          1HB       ALA  31  -7.423   3.677   3.677
  221   2HB   ALA  31          3HB       ALA  31  -6.131   3.358   3.358
  222   3HB   ALA  31          2HB       ALA  31  -6.102   4.839   4.839
  223    H    LYS  32           HN       LYS  32  -5.587   6.375   6.375
  224    HA   LYS  32           HA       LYS  32  -4.629   6.371   6.371
  225   1HB   LYS  32          1HB       LYS  32  -4.266   8.866   8.866
  226   2HB   LYS  32          2HB       LYS  32  -5.918   8.310   8.310
  227   1HG   LYS  32          1HG       LYS  32  -5.868  10.122  10.122
  228   2HG   LYS  32          2HG       LYS  32  -6.449   8.664   8.664
  229   1HD   LYS  32          2HD       LYS  32  -4.251   8.370   8.370
  230   2HD   LYS  32          1HD       LYS  32  -3.582   9.723   9.723
  231   1HE   LYS  32          2HE       LYS  32  -5.187  11.268  11.268
  232   2HE   LYS  32          1HE       LYS  32  -5.875   9.912   9.912
  233   1HZ   LYS  32          1HZ       LYS  32  -3.100  10.858  10.858
  234   2HZ   LYS  32          2HZ       LYS  32  -4.285  11.135  11.135
  235   3HZ   LYS  32          3HZ       LYS  32  -3.739   9.602   9.602
  236    H    THR  33           H        THR  33  -3.767   4.907   4.907
  237    HA   THR  33           HA       THR  33  -1.457   6.139   6.139
  238    HB   THR  33           HB       THR  33  -1.936   3.173   3.173
  239    HG1  THR  33           HG1      THR  33  -3.297   3.308   3.308
  240   1HG2  THR  33          3HG2      THR  33   0.160   3.877   3.877
  241   2HG2  THR  33          2HG2      THR  33  -0.795   4.779   4.779
  242   3HG2  THR  33          1HG2      THR  33  -0.922   3.009   3.009
  243    H    GLY  34           H        GLY  34  -2.257   4.347   4.347
  244   1HA   GLY  34          1HA       GLY  34   0.461   4.762   4.762
  245   2HA   GLY  34          2HA       GLY  34  -0.547   3.358   3.358
  246    HA   PRO  35           HA       PRO  35  -1.615   7.453   7.453
  247   1HB   PRO  35          1HB       PRO  35  -0.869   5.799   5.799
  248   2HB   PRO  35          2HB       PRO  35  -0.571   7.535   7.535
  249   1HG   PRO  35          1HG       PRO  35   1.355   5.606   5.606
  250   2HG   PRO  35          2HG       PRO  35   1.341   7.047   7.047
  251   1HD   PRO  35          1HD       PRO  35   0.590   4.240   4.240
  252   2HD   PRO  35          2HD       PRO  35   1.293   5.504   5.504
  253    H    ASN  36           H        ASN  36  -3.566   7.737   7.737
  254    HA   ASN  36           HA       ASN  36  -5.506   5.629   5.629
  255   1HB   ASN  36          2HB       ASN  36  -6.066   8.064   8.064
  256   2HB   ASN  36          1HB       ASN  36  -5.508   8.186   8.186
  257   1HD2  ASN  36          2HD2      ASN  36  -9.198   6.677   6.677
  258   2HD2  ASN  36          1HD2      ASN  36  -8.079   7.056   7.056
  259    H    LEU  37           H        LEU  37  -5.810   4.055   4.055
  260    HA   LEU  37           HA       LEU  37  -3.851   3.842   3.842
  261   1HB   LEU  37          1HB       LEU  37  -5.757   1.761   1.761
  262   2HB   LEU  37          2HB       LEU  37  -4.429   1.484   1.484
  263    HG   LEU  37           HG       LEU  37  -4.150   2.387   2.387
  264   1HD1  LEU  37          3HD1      LEU  37  -4.795   0.021   0.021
  265   2HD1  LEU  37          2HD1      LEU  37  -3.423  -0.221  -0.221
  266   3HD1  LEU  37          1HD1      LEU  37  -3.139   0.159   0.159
  267   1HD2  LEU  37          2HD2      LEU  37  -2.023   1.812   1.812
  268   2HD2  LEU  37          3HD2      LEU  37  -2.293   3.365   3.365
  269   3HD2  LEU  37          1HD2      LEU  37  -1.690   1.972   1.972
  270    H    TYR  38           H        TYR  38  -6.582   5.490   5.490
  271    HA   TYR  38           HA       TYR  38  -8.081   4.225   4.225
  272   1HB   TYR  38          1HB       TYR  38  -8.868   6.046   6.046
  273   2HB   TYR  38          2HB       TYR  38  -7.711   7.167   7.167
  274    HD1  TYR  38           HD1      TYR  38  -8.076   8.045   8.045
  275    HD2  TYR  38           HD2      TYR  38 -10.977   5.689   5.689
  276    HE1  TYR  38           HE1      TYR  38  -9.767   8.639   8.639
  277    HE2  TYR  38           HE2      TYR  38 -12.694   6.390   6.390
  278    HH   TYR  38           HH       TYR  38 -13.208   7.731   7.731
  279    H    GLY  39           H        GLY  39  -6.485   3.318   3.318
  280   1HA   GLY  39          1HA       GLY  39  -5.659   3.382   3.382
  281   2HA   GLY  39          2HA       GLY  39  -5.654   5.152   5.152
  282    H    VAL  40           H        VAL  40  -4.247   2.787   2.787
  283    HA   VAL  40           HA       VAL  40  -1.667   4.088   4.088
  284    HB   VAL  40           HB       VAL  40  -2.691   2.546   2.546
  285   1HG1  VAL  40          3HG2      VAL  40  -3.053   0.562   0.562
  286   2HG1  VAL  40          1HG2      VAL  40  -1.288   0.409   0.409
  287   3HG1  VAL  40          2HG2      VAL  40  -2.061   0.191   0.191
  288   1HG2  VAL  40          1HG1      VAL  40   0.224   2.220   2.220
  289   2HG2  VAL  40          2HG1      VAL  40  -0.448   3.520   3.520
  290   3HG2  VAL  40          3HG1      VAL  40  -0.442   1.848   1.848
  291    H    VAL  41           H        VAL  41  -3.227   1.585   1.585
  292    HA   VAL  41           HA       VAL  41  -0.977   0.271   0.271
  293    HB   VAL  41           HB       VAL  41  -3.771   0.692   0.692
  294   1HG1  VAL  41          1HG2      VAL  41  -1.571  -1.278  -1.278
  295   2HG1  VAL  41          2HG2      VAL  41  -3.255  -1.343  -1.343
  296   3HG1  VAL  41          3HG2      VAL  41  -2.231   0.022   0.022
  297   1HG2  VAL  41          3HG1      VAL  41  -2.468  -1.589  -1.589
  298   2HG2  VAL  41          1HG1      VAL  41  -3.686  -0.476  -0.476
  299   3HG2  VAL  41          2HG1      VAL  41  -4.123  -1.587  -1.587
  300    H    GLY  42           H        GLY  42   0.546   1.035   1.035
  301   1HA   GLY  42          1HA       GLY  42   1.541   2.095   2.095
  302   2HA   GLY  42          2HA       GLY  42   0.071   3.034   3.034
  303    H    ARG  43           HN       ARG  43   0.433   3.441   3.441
  304    HA   ARG  43           HA       ARG  43   1.469   6.105   6.105
  305   1HB   ARG  43          2HB       ARG  43  -0.216   5.171   5.171
  306   2HB   ARG  43          1HB       ARG  43   1.189   4.593   4.593
  307   1HG   ARG  43          2HG       ARG  43   0.662   6.647   6.647
  308   2HG   ARG  43          1HG       ARG  43   2.070   6.992   6.992
  309   1HD   ARG  43          1HD       ARG  43   0.372   8.763   8.763
  310   2HD   ARG  43          2HD       ARG  43   0.603   8.017   8.017
  311    HE   ARG  43           HE       ARG  43  -1.486   6.568   6.568
  312   1HH1  ARG  43          1HH2      ARG  43  -0.985  10.009  10.009
  313   2HH1  ARG  43          2HH2      ARG  43  -2.658  10.299  10.299
  314   1HH2  ARG  43          2HH1      ARG  43  -3.545   6.878   6.878
  315   2HH2  ARG  43          1HH1      ARG  43  -4.185   8.466   8.466
  316    H    THR  44           H        THR  44   3.568   6.881   6.881
  317    HA   THR  44           HA       THR  44   5.751   5.081   5.081
  318    HB   THR  44           HB       THR  44   5.766   8.002   8.002
  319    HG1  THR  44           HG1      THR  44   5.697   6.768   6.768
  320   1HG2  THR  44          1HG2      THR  44   7.865   6.270   6.270
  321   2HG2  THR  44          2HG2      THR  44   7.992   8.001   8.001
  322   3HG2  THR  44          3HG2      THR  44   7.916   6.833   6.833
  323    H    ALA  45           H        ALA  45   6.971   4.234   4.234
  324    HA   ALA  45           HA       ALA  45   5.546   3.956   3.956
  325   1HB   ALA  45          3HB       ALA  45   8.475   3.488   3.488
  326   2HB   ALA  45          1HB       ALA  45   7.758   3.202   3.202
  327   3HB   ALA  45          2HB       ALA  45   7.156   2.300   2.300
  328    H    GLY  46           H        GLY  46   5.394   5.123   5.123
  329   1HA   GLY  46          1HA       GLY  46   5.732   6.762   6.762
  330   2HA   GLY  46          2HA       GLY  46   7.344   7.027   7.027
  331    H    THR  47           H        THR  47   4.327   7.414   7.414
  332    HA   THR  47           HA       THR  47   4.641  10.391  10.391
  333    HB   THR  47           HB       THR  47   4.424  10.681  10.681
  334    HG1  THR  47           HG1      THR  47   4.308   7.852   7.852
  335   1HG2  THR  47          3HG2      THR  47   6.724  10.294  10.294
  336   2HG2  THR  47          1HG2      THR  47   6.596   8.592   8.592
  337   3HG2  THR  47          2HG2      THR  47   6.544   9.876   9.876
  338    H    TYR  48           H        TYR  48   2.376   8.061   8.061
  339    HA   TYR  48           HA       TYR  48   0.158   9.179   9.179
  340   1HB   TYR  48          2HB       TYR  48   0.218   6.917   6.917
  341   2HB   TYR  48          1HB       TYR  48  -0.084   7.805   7.805
  342    HD1  TYR  48           HD2      TYR  48  -2.177   9.267   9.267
  343    HD2  TYR  48           HD1      TYR  48  -1.577   6.429   6.429
  344    HE1  TYR  48           HE2      TYR  48  -4.480   9.667   9.667
  345    HE2  TYR  48           HE1      TYR  48  -3.876   6.768   6.768
  346    HH   TYR  48           HH       TYR  48  -5.842   7.926   7.926
  347    HA   PRO  49           HA       PRO  49   0.445  13.088  13.088
  348   1HB   PRO  49          1HB       PRO  49  -2.179  14.054  14.054
  349   2HB   PRO  49          2HB       PRO  49  -0.938  14.066  14.066
  350   1HG   PRO  49          2HG       PRO  49  -3.098  12.005  12.005
  351   2HG   PRO  49          1HG       PRO  49  -2.661  12.789  12.789
  352   1HD   PRO  49          1HD       PRO  49  -1.744  10.347  10.347
  353   2HD   PRO  49          2HD       PRO  49  -0.607  11.539  11.539
  354    H    GLU  50           HN       GLU  50  -0.210  14.401  14.401
  355    HA   GLU  50           HA       GLU  50  -0.279  14.633  14.633
  356   1HB   GLU  50          2HB       GLU  50  -3.029  13.509  13.509
  357   2HB   GLU  50          1HB       GLU  50  -2.591  14.153  14.153
  358   1HG   GLU  50          1HG       GLU  50  -3.684  15.905  15.905
  359   2HG   GLU  50          2HG       GLU  50  -1.982  16.339  16.339
  360    H    PHE  51           H        PHE  51   1.486  12.898  12.898
  361    HA   PHE  51           HA       PHE  51   0.919  11.419  11.419
  362   1HB   PHE  51          2HB       PHE  51   0.040   9.850   9.850
  363   2HB   PHE  51          1HB       PHE  51   1.676   9.766   9.766
  364    HD1  PHE  51           HD1      PHE  51  -0.536   8.991   8.991
  365    HD2  PHE  51           HD2      PHE  51   3.489   8.678   8.678
  366    HE1  PHE  51           HE1      PHE  51   0.056   7.489   7.489
  367    HE2  PHE  51           HE2      PHE  51   4.060   7.123   7.123
  368    HZ   PHE  51           HZ       PHE  51   2.321   6.470   6.470
  369    H    LYS  52           HN       LYS  52   2.685  11.599  11.599
  370    HA   LYS  52           HA       LYS  52   5.213  12.497  12.497
  371   1HB   LYS  52          1HB       LYS  52   4.444  13.507  13.507
  372   2HB   LYS  52          2HB       LYS  52   4.316  11.935  11.935
  373   1HG   LYS  52          2HG       LYS  52   6.276  13.187  13.187
  374   2HG   LYS  52          1HG       LYS  52   6.734  11.651  11.651
  375   1HD   LYS  52          2HD       LYS  52   7.330  12.819  12.819
  376   2HD   LYS  52          1HD       LYS  52   6.859  14.373  14.373
  377   1HE   LYS  52          2HE       LYS  52   9.073  12.500  12.500
  378   2HE   LYS  52          1HE       LYS  52   9.315  13.964  13.964
  379   1HZ   LYS  52          1HZ       LYS  52   8.365  15.233  15.233
  380   2HZ   LYS  52          3HZ       LYS  52   8.191  13.872  13.872
  381   3HZ   LYS  52          2HZ       LYS  52   9.694  14.394  14.394
  382    H    TYR  53           H        TYR  53   6.004  10.786  10.786
  383    HA   TYR  53           HA       TYR  53   6.350   8.095   8.095
  384   1HB   TYR  53          2HB       TYR  53   7.653   9.381   9.381
  385   2HB   TYR  53          1HB       TYR  53   7.552   7.666   7.666
  386    HD1  TYR  53           HD1      TYR  53   5.500   6.369   6.369
  387    HD2  TYR  53           HD2      TYR  53   5.698  10.507  10.507
  388    HE1  TYR  53           HE1      TYR  53   3.448   6.086   6.086
  389    HE2  TYR  53           HE2      TYR  53   3.530  10.261  10.261
  390    HH   TYR  53           HH       TYR  53   1.735   8.896   8.896
  391    H    LYS  54           HN       LYS  54   8.771   7.349   7.349
  392    HA   LYS  54           HA       LYS  54  10.735   8.897   8.897
  393   1HB   LYS  54          2HB       LYS  54  11.088   5.978   5.978
  394   2HB   LYS  54          1HB       LYS  54  11.532   6.949   6.949
  395   1HG   LYS  54          1HG       LYS  54   8.684   6.070   6.070
  396   2HG   LYS  54          2HG       LYS  54   9.734   5.263   5.263
  397   1HD   LYS  54          2HD       LYS  54   9.650   7.012   7.012
  398   2HD   LYS  54          1HD       LYS  54   9.156   8.220   8.220
  399   1HE   LYS  54          2HE       LYS  54   7.287   7.589   7.589
  400   2HE   LYS  54          1HE       LYS  54   6.936   7.263   7.263
  401   1HZ   LYS  54          3HZ       LYS  54   7.841   5.252   5.252
  402   2HZ   LYS  54          2HZ       LYS  54   6.287   5.465   5.465
  403   3HZ   LYS  54          1HZ       LYS  54   7.443   4.979   4.979
  404    H    ASP  55           HN       ASP  55  12.973   8.177   8.177
  405    HA   ASP  55           HA       ASP  55  13.455   9.071   9.071
  406   1HB   ASP  55          2HB       ASP  55  15.024   9.385   9.385
  407   2HB   ASP  55          1HB       ASP  55  15.264   7.630   7.630
  408    H    SER  56           H        SER  56  13.058   5.719   5.719
  409    HA   SER  56           HA       SER  56  14.711   4.372   4.372
  410   1HB   SER  56          2HB       SER  56  13.114   2.510   2.510
  411   2HB   SER  56          1HB       SER  56  14.225   3.354   3.354
  412    HG   SER  56           HG       SER  56  11.915   3.218   3.218
  413    H    ILE  57           H        ILE  57  11.266   4.419   4.419
  414    HA   ILE  57           HA       ILE  57  10.541   3.207   3.207
  415    HB   ILE  57           HB       ILE  57   9.356   3.351   3.351
  416   1HG1  ILE  57          1HG1      ILE  57   7.579   3.942   3.942
  417   2HG1  ILE  57          2HG1      ILE  57   8.435   2.410   2.410
  418   1HG2  ILE  57          3HG2      ILE  57   9.331   5.783   5.783
  419   2HG2  ILE  57          2HG2      ILE  57   8.169   5.941   5.941
  420   3HG2  ILE  57          1HG2      ILE  57   7.724   5.076   5.076
  421   1HD1  ILE  57          3HD1      ILE  57   7.232   2.048   2.048
  422   2HD1  ILE  57          1HD1      ILE  57   6.259   3.503   3.503
  423   3HD1  ILE  57          2HD1      ILE  57   6.178   2.109   2.109
  424    H    VAL  58           H        VAL  58  10.792   6.661   6.661
  425    HA   VAL  58           HA       VAL  58   9.859   7.695   7.695
  426    HB   VAL  58           HB       VAL  58  11.788   8.757   8.757
  427   1HG1  VAL  58          3HG2      VAL  58  10.649  10.194  10.194
  428   2HG1  VAL  58          1HG2      VAL  58  11.422  10.998  10.998
  429   3HG1  VAL  58          2HG2      VAL  58  12.367   9.910   9.910
  430   1HG2  VAL  58          3HG1      VAL  58   9.321   8.447   8.447
  431   2HG2  VAL  58          2HG1      VAL  58   9.875  10.129  10.129
  432   3HG2  VAL  58          1HG1      VAL  58   8.927   9.565   9.565
  433    H    ALA  59           H        ALA  59  13.223   6.802   6.802
  434    HA   ALA  59           HA       ALA  59  14.464   7.485   7.485
  435   1HB   ALA  59          3HB       ALA  59  15.729   7.053   7.053
  436   2HB   ALA  59          2HB       ALA  59  15.259   5.339   5.339
  437   3HB   ALA  59          1HB       ALA  59  16.295   6.005   6.005
  438    H    LEU  60           H        LEU  60  13.045   4.367   4.367
  439    HA   LEU  60           HA       LEU  60  13.709   2.864   2.864
  440   1HB   LEU  60          1HB       LEU  60  12.776   2.058   2.058
  441   2HB   LEU  60          2HB       LEU  60  11.199   2.673   2.673
  442    HG   LEU  60           HG       LEU  60  11.955   0.098   0.098
  443   1HD1  LEU  60          2HD1      LEU  60  10.037   1.602   1.602
  444   2HD1  LEU  60          3HD1      LEU  60  10.078  -0.168  -0.168
  445   3HD1  LEU  60          1HD1      LEU  60   9.700   0.887   0.887
  446   1HD2  LEU  60          1HD2      LEU  60  13.670   0.543   0.543
  447   2HD2  LEU  60          2HD2      LEU  60  12.335  -0.468  -0.468
  448   3HD2  LEU  60          3HD2      LEU  60  12.403   1.219   1.219
  449    H    GLY  61           H        GLY  61  10.823   4.845   4.845
  450   1HA   GLY  61          1HA       GLY  61   9.480   4.673   4.673
  451   2HA   GLY  61          2HA       GLY  61   9.480   6.080   6.080
  452    H    ALA  62           H        ALA  62  11.814   7.159   7.159
  453    HA   ALA  62           HA       ALA  62  11.990   8.631   8.631
  454   1HB   ALA  62          1HB       ALA  62  12.806   9.381   9.381
  455   2HB   ALA  62          3HB       ALA  62  14.146   8.215   8.215
  456   3HB   ALA  62          2HB       ALA  62  14.040   9.556   9.556
  457    H    SER  63           H        SER  63  13.582   5.573   5.573
  458    HA   SER  63           HA       SER  63  15.543   5.671   5.671
  459   1HB   SER  63          1HB       SER  63  14.312   3.211   3.211
  460   2HB   SER  63          2HB       SER  63  15.837   3.313   3.313
  461    HG   SER  63           HG       SER  63  15.242   4.752   4.752
  462    H    GLY  64           H        GLY  64  12.176   5.589   5.589
  463   1HA   GLY  64          1HA       GLY  64  11.112   5.732   5.732
  464   2HA   GLY  64          2HA       GLY  64  12.305   4.650   4.650
  465    H    PHE  65           H        PHE  65  10.617   4.223   4.223
  466    HA   PHE  65           HA       PHE  65   9.540   1.628   1.628
  467   1HB   PHE  65          1HB       PHE  65  11.045   1.492   1.492
  468   2HB   PHE  65          2HB       PHE  65  10.039   2.607   2.607
  469    HD1  PHE  65           HD1      PHE  65   7.731   1.994   1.994
  470    HD2  PHE  65           HD2      PHE  65  10.331  -0.870  -0.870
  471    HE1  PHE  65           HE1      PHE  65   6.412   0.165   0.165
  472    HE2  PHE  65           HE2      PHE  65   8.916  -2.709  -2.709
  473    HZ   PHE  65           HZ       PHE  65   7.046  -2.176  -2.176
  474    H    ALA  66           H        ALA  66   7.464   1.460   1.460
  475    HA   ALA  66           HA       ALA  66   5.435   3.203   3.203
  476   1HB   ALA  66          3HB       ALA  66   5.471   2.042   2.042
  477   2HB   ALA  66          1HB       ALA  66   4.106   2.890   2.890
  478   3HB   ALA  66          2HB       ALA  66   5.618   3.763   3.763
  479    H    TRP  67           H        TRP  67   3.855   2.014   2.014
  480    HA   TRP  67           HA       TRP  67   4.329  -0.699  -0.699
  481   1HB   TRP  67          1HB       TRP  67   2.114   1.332   1.332
  482   2HB   TRP  67          2HB       TRP  67   1.931  -0.307  -0.307
  483    HD1  TRP  67           HD1      TRP  67   2.836   2.744   2.744
  484    HE1  TRP  67           HE1      TRP  67   4.114   2.360   2.360
  485    HE3  TRP  67           HE3      TRP  67   4.029  -2.207  -2.207
  486    HZ2  TRP  67           HZ2      TRP  67   5.482   0.240   0.240
  487    HZ3  TRP  67           HZ3      TRP  67   5.423  -3.342  -3.342
  488    HH2  TRP  67           HH2      TRP  67   6.214  -2.121  -2.121
  489    H    THR  68           H        THR  68   3.187  -2.463  -2.463
  490    HA   THR  68           HA       THR  68   1.290  -2.374  -2.374
  491    HB   THR  68           HB       THR  68   2.325  -4.385  -4.385
  492    HG1  THR  68           HG1      THR  68   4.606  -4.196  -4.196
  493   1HG2  THR  68          2HG2      THR  68   3.202  -2.231  -2.231
  494   2HG2  THR  68          1HG2      THR  68   4.501  -2.295  -2.295
  495   3HG2  THR  68          3HG2      THR  68   4.410  -3.535  -3.535
  496    H    GLU  69           HN       GLU  69   0.026  -4.553  -4.553
  497    HA   GLU  69           HA       GLU  69  -1.007  -5.175  -5.175
  498   1HB   GLU  69          2HB       GLU  69  -0.746  -6.767  -6.767
  499   2HB   GLU  69          1HB       GLU  69  -1.895  -7.121  -7.121
  500   1HG   GLU  69          2HG       GLU  69  -1.882  -4.378  -4.378
  501   2HG   GLU  69          1HG       GLU  69  -2.713  -5.765  -5.765
  502    H    GLU  70           HN       GLU  70   1.654  -6.699  -6.699
  503    HA   GLU  70           HA       GLU  70   1.896  -8.964  -8.964
  504   1HB   GLU  70          1HB       GLU  70   3.955  -9.464  -9.464
  505   2HB   GLU  70          2HB       GLU  70   2.578  -9.187  -9.187
  506   1HG   GLU  70          2HG       GLU  70   3.431  -6.931  -6.931
  507   2HG   GLU  70          1HG       GLU  70   4.839  -7.203  -7.203
  508    H    ASP  71           HN       ASP  71   3.681  -5.863  -5.863
  509    HA   ASP  71           HA       ASP  71   5.524  -6.390  -6.390
  510   1HB   ASP  71          1HB       ASP  71   4.489  -3.783  -3.783
  511   2HB   ASP  71          2HB       ASP  71   5.754  -3.918  -3.918
  512    H    ILE  72           H        ILE  72   2.328  -4.711  -4.711
  513    HA   ILE  72           HA       ILE  72   2.341  -4.020  -4.020
  514    HB   ILE  72           HB       ILE  72   0.068  -4.690  -4.690
  515   1HG1  ILE  72          2HG1      ILE  72   0.833  -1.961  -1.961
  516   2HG1  ILE  72          1HG1      ILE  72   1.605  -2.597  -2.597
  517   1HG2  ILE  72          2HG2      ILE  72  -0.072  -3.529  -3.529
  518   2HG2  ILE  72          1HG2      ILE  72  -1.425  -3.550  -3.550
  519   3HG2  ILE  72          3HG2      ILE  72  -0.775  -5.066  -5.066
  520   1HD1  ILE  72          1HD1      ILE  72  -0.654  -2.909  -2.909
  521   2HD1  ILE  72          2HD1      ILE  72  -1.373  -2.069  -2.069
  522   3HD1  ILE  72          3HD1      ILE  72  -0.222  -1.228  -1.228
  523    H    ALA  73           H        ALA  73   0.998  -6.933  -6.933
  524    HA   ALA  73           HA       ALA  73   0.105  -8.304  -8.304
  525   1HB   ALA  73          3HB       ALA  73  -0.367  -8.994  -8.994
  526   2HB   ALA  73          2HB       ALA  73   1.328  -9.471  -9.471
  527   3HB   ALA  73          1HB       ALA  73   0.315 -10.338 -10.338
  528    H    THR  74           H        THR  74   3.391  -8.362  -8.362
  529    HA   THR  74           HA       THR  74   4.505 -10.230 -10.230
  530    HB   THR  74           HB       THR  74   5.986  -8.120  -8.120
  531    HG1  THR  74           HG1      THR  74   4.686  -9.311  -9.311
  532   1HG2  THR  74          2HG2      THR  74   7.340  -9.416  -9.416
  533   2HG2  THR  74          1HG2      THR  74   6.788 -10.916 -10.916
  534   3HG2  THR  74          3HG2      THR  74   7.803  -9.783  -9.783
  535    H    TYR  75           H        TYR  75   4.420  -6.648  -6.648
  536    HA   TYR  75           HA       TYR  75   6.069  -6.158  -6.158
  537   1HB   TYR  75          1HB       TYR  75   5.467  -4.423  -4.423
  538   2HB   TYR  75          2HB       TYR  75   3.750  -4.613  -4.613
  539    HD1  TYR  75           HD1      TYR  75   6.965  -3.710  -3.710
  540    HD2  TYR  75           HD2      TYR  75   2.690  -3.237  -3.237
  541    HE1  TYR  75           HE1      TYR  75   7.109  -1.948  -1.948
  542    HE2  TYR  75           HE2      TYR  75   2.836  -1.516  -1.516
  543    HH   TYR  75           HH       TYR  75   4.159  -0.596  -0.596
  544    H    VAL  76           H        VAL  76   2.455  -6.487  -6.487
  545    HA   VAL  76           HA       VAL  76   2.279  -6.167  -6.167
  546    HB   VAL  76           HB       VAL  76   0.126  -7.343  -7.343
  547   1HG1  VAL  76          3HG1      VAL  76   0.615  -5.187  -5.187
  548   2HG1  VAL  76          1HG1      VAL  76  -0.963  -5.646  -5.646
  549   3HG1  VAL  76          2HG1      VAL  76   0.253  -4.930  -4.930
  550   1HG2  VAL  76          3HG2      VAL  76   0.523  -8.973  -8.973
  551   2HG2  VAL  76          1HG2      VAL  76  -0.876  -7.934  -7.934
  552   3HG2  VAL  76          2HG2      VAL  76   0.639  -7.631  -7.631
  553    H    LYS  77           HN       LYS  77   2.819  -9.203  -9.203
  554    HA   LYS  77           HA       LYS  77   2.881 -10.872 -10.872
  555   1HB   LYS  77          1HB       LYS  77   4.319 -11.161 -11.161
  556   2HB   LYS  77          2HB       LYS  77   4.156 -12.426 -12.426
  557   1HG   LYS  77          2HG       LYS  77   1.646 -12.089 -12.089
  558   2HG   LYS  77          1HG       LYS  77   1.889 -11.137 -11.137
  559   1HD   LYS  77          2HD       LYS  77   2.803 -14.030 -14.030
  560   2HD   LYS  77          1HD       LYS  77   1.380 -13.530 -13.530
  561   1HE   LYS  77          1HE       LYS  77   4.245 -12.788 -12.788
  562   2HE   LYS  77          2HE       LYS  77   3.293 -14.084 -14.084
  563   1HZ   LYS  77          2HZ       LYS  77   2.554 -11.248 -11.248
  564   2HZ   LYS  77          3HZ       LYS  77   3.220 -12.086 -12.086
  565   3HZ   LYS  77          1HZ       LYS  77   1.716 -12.480 -12.480
  566    H    ASP  78           HN       ASP  78   5.302  -8.503  -8.503
  567    HA   ASP  78           HA       ASP  78   6.970  -9.324  -9.324
  568   1HB   ASP  78          1HB       ASP  78   7.539 -10.946 -10.946
  569   2HB   ASP  78          2HB       ASP  78   8.436  -9.561  -9.561
  570    HA   PRO  79           HA       PRO  79   7.183  -4.826  -4.826
  571   1HB   PRO  79          1HB       PRO  79   7.140  -3.946  -3.946
  572   2HB   PRO  79          2HB       PRO  79   5.713  -4.099  -4.099
  573   1HG   PRO  79          1HG       PRO  79   6.843  -6.099  -6.099
  574   2HG   PRO  79          2HG       PRO  79   5.150  -5.555  -5.555
  575   1HD   PRO  79          1HD       PRO  79   5.859  -7.876  -7.876
  576   2HD   PRO  79          2HD       PRO  79   4.908  -6.726  -6.726
  577    H    GLY  80           H        GLY  80   9.064  -3.667  -3.667
  578   1HA   GLY  80          1HA       GLY  80  11.181  -2.936  -2.936
  579   2HA   GLY  80          2HA       GLY  80  11.227  -4.185  -4.185
  580    H    ALA  81           H        ALA  81  11.043  -6.526  -6.526
  581    HA   ALA  81           HA       ALA  81  13.401  -7.050  -7.050
  582   1HB   ALA  81          2HB       ALA  81  12.076  -8.760  -8.760
  583   2HB   ALA  81          3HB       ALA  81  10.857  -8.692  -8.692
  584   3HB   ALA  81          1HB       ALA  81  12.488  -9.288  -9.288
  585    H    PHE  82           H        PHE  82  10.031  -6.722  -6.722
  586    HA   PHE  82           HA       PHE  82  10.376  -7.024  -7.024
  587   1HB   PHE  82          2HB       PHE  82   8.203  -6.601  -6.601
  588   2HB   PHE  82          1HB       PHE  82   8.722  -4.984  -4.984
  589    HD1  PHE  82           HD1      PHE  82   8.024  -7.238  -7.238
  590    HD2  PHE  82           HD2      PHE  82   8.588  -3.174  -3.174
  591    HE1  PHE  82           HE1      PHE  82   7.810  -6.473  -6.473
  592    HE2  PHE  82           HE2      PHE  82   8.564  -2.428  -2.428
  593    HZ   PHE  82           HZ       PHE  82   8.277  -4.107  -4.107
  594    H    LEU  83           H        LEU  83  11.089  -4.011  -4.011
  595    HA   LEU  83           HA       LEU  83  11.588  -2.367  -2.367
  596   1HB   LEU  83          2HB       LEU  83  12.265  -2.129  -2.129
  597   2HB   LEU  83          1HB       LEU  83  12.475  -0.880  -0.880
  598    HG   LEU  83           HG       LEU  83   9.794  -2.076  -2.076
  599   1HD1  LEU  83          2HD1      LEU  83  11.150   0.584   0.584
  600   2HD1  LEU  83          1HD1      LEU  83   9.466   0.171   0.171
  601   3HD1  LEU  83          3HD1      LEU  83  10.788  -0.731  -0.731
  602   1HD2  LEU  83          1HD2      LEU  83  10.638   0.206   0.206
  603   2HD2  LEU  83          3HD2      LEU  83   9.805  -1.282  -1.282
  604   3HD2  LEU  83          2HD2      LEU  83   8.955  -0.114  -0.114
  605    H    LYS  84           HN       LYS  84  13.443  -3.793  -3.793
  606    HA   LYS  84           HA       LYS  84  16.068  -3.205  -3.205
  607   1HB   LYS  84          2HB       LYS  84  15.067  -5.769  -5.769
  608   2HB   LYS  84          1HB       LYS  84  16.767  -5.275  -5.275
  609   1HG   LYS  84          2HG       LYS  84  16.359  -3.302  -3.302
  610   2HG   LYS  84          1HG       LYS  84  14.624  -3.542  -3.542
  611   1HD   LYS  84          1HD       LYS  84  15.373  -4.211  -4.211
  612   2HD   LYS  84          2HD       LYS  84  14.783  -5.613  -5.613
  613   1HE   LYS  84          2HE       LYS  84  16.877  -6.105  -6.105
  614   2HE   LYS  84          1HE       LYS  84  17.124  -6.306  -6.306
  615   1HZ   LYS  84          2HZ       LYS  84  17.857  -3.910  -3.910
  616   2HZ   LYS  84          1HZ       LYS  84  18.898  -5.092  -5.092
  617   3HZ   LYS  84          3HZ       LYS  84  18.138  -4.140  -4.140
  618    H    GLU  85           HN       GLU  85  14.133  -6.032  -6.032
  619    HA   GLU  85           HA       GLU  85  15.929  -7.278  -7.278
  620   1HB   GLU  85          1HB       GLU  85  13.654  -8.072  -8.072
  621   2HB   GLU  85          2HB       GLU  85  12.942  -6.881  -6.881
  622   1HG   GLU  85          1HG       GLU  85  14.073  -8.008  -8.008
  623   2HG   GLU  85          2HG       GLU  85  14.744  -9.202  -9.202
  624    H    LYS  86           HN       LYS  86  13.970  -4.336  -4.336
  625    HA   LYS  86           HA       LYS  86  14.862  -4.372  -4.372
  626   1HB   LYS  86          1HB       LYS  86  12.958  -2.605  -2.605
  627   2HB   LYS  86          2HB       LYS  86  13.224  -2.503  -2.503
  628   1HG   LYS  86          1HG       LYS  86  12.256  -5.063  -5.063
  629   2HG   LYS  86          2HG       LYS  86  11.157  -3.790  -3.790
  630   1HD   LYS  86          1HD       LYS  86  11.617  -4.076  -4.076
  631   2HD   LYS  86          2HD       LYS  86  13.139  -4.921  -4.921
  632   1HE   LYS  86          2HE       LYS  86  11.387  -6.475  -6.475
  633   2HE   LYS  86          1HE       LYS  86  12.009  -6.889  -6.889
  634   1HZ   LYS  86          2HZ       LYS  86  10.083  -5.835  -5.835
  635   2HZ   LYS  86          1HZ       LYS  86   9.469  -5.505  -5.505
  636   3HZ   LYS  86          3HZ       LYS  86   9.664  -7.062  -7.062
  637    H    LEU  87           H        LEU  87  15.122  -2.309  -2.309
  638    HA   LEU  87           HA       LEU  87  16.706  -0.357  -0.357
  639   1HB   LEU  87          2HB       LEU  87  14.861  -0.014  -0.014
  640   2HB   LEU  87          1HB       LEU  87  16.105  -0.351  -0.351
  641    HG   LEU  87           HG       LEU  87  15.385   2.075   2.075
  642   1HD1  LEU  87          3HD1      LEU  87  17.130   1.658   1.658
  643   2HD1  LEU  87          2HD1      LEU  87  18.333   1.456   1.456
  644   3HD1  LEU  87          1HD1      LEU  87  17.548   3.020   3.020
  645   1HD2  LEU  87          3HD2      LEU  87  15.798   1.814   1.814
  646   2HD2  LEU  87          1HD2      LEU  87  16.603   3.201   3.201
  647   3HD2  LEU  87          2HD2      LEU  87  17.542   1.756   1.756
  648    H    ASP  88           HN       ASP  88  17.449  -3.160  -3.160
  649    HA   ASP  88           HA       ASP  88  19.272  -4.039  -4.039
  650   1HB   ASP  88          2HB       ASP  88  19.735  -4.255  -4.255
  651   2HB   ASP  88          1HB       ASP  88  20.357  -2.607  -2.607
  652    H    ASP  89           HN       ASP  89  18.691  -2.394  -2.394
  653    HA   ASP  89           HA       ASP  89  21.162  -1.051  -1.051
  654   1HB   ASP  89          1HB       ASP  89  19.854   0.676   0.676
  655   2HB   ASP  89          2HB       ASP  89  18.391   0.140   0.140
  656    H    LYS  90           HN       LYS  90  21.182  -0.801  -0.801
  657    HA   LYS  90           HA       LYS  90  20.108  -3.034  -3.034
  658   1HB   LYS  90          1HB       LYS  90  22.353  -1.493  -1.493
  659   2HB   LYS  90          2HB       LYS  90  21.384  -0.619  -0.619
  660   1HG   LYS  90          1HG       LYS  90  20.943  -2.736  -2.736
  661   2HG   LYS  90          2HG       LYS  90  21.998  -3.605  -3.605
  662   1HD   LYS  90          1HD       LYS  90  23.884  -2.081  -2.081
  663   2HD   LYS  90          2HD       LYS  90  22.852  -1.282  -1.282
  664   1HE   LYS  90          2HE       LYS  90  23.641  -4.240  -4.240
  665   2HE   LYS  90          1HE       LYS  90  24.362  -2.974  -2.974
  666   1HZ   LYS  90          2HZ       LYS  90  22.217  -2.624  -2.624
  667   2HZ   LYS  90          1HZ       LYS  90  21.556  -3.828  -3.828
  668   3HZ   LYS  90          3HZ       LYS  90  22.719  -4.180  -4.180
  669    H    LYS  91           HN       LYS  91  19.894   0.448   0.448
  670    HA   LYS  91           HA       LYS  91  17.861   0.718   0.718
  671   1HB   LYS  91          2HB       LYS  91  19.873   2.278   2.278
  672   2HB   LYS  91          1HB       LYS  91  18.823   2.884   2.884
  673   1HG   LYS  91          1HG       LYS  91  17.131   3.429   3.429
  674   2HG   LYS  91          2HG       LYS  91  18.462   3.017   3.017
  675   1HD   LYS  91          2HD       LYS  91  18.533   5.374   5.374
  676   2HD   LYS  91          1HD       LYS  91  19.861   4.762   4.762
  677   1HE   LYS  91          2HE       LYS  91  18.415   5.013   5.013
  678   2HE   LYS  91          1HE       LYS  91  17.071   5.540   5.540
  679   1HZ   LYS  91          2HZ       LYS  91  18.384   7.432   7.432
  680   2HZ   LYS  91          3HZ       LYS  91  19.636   6.924   6.924
  681   3HZ   LYS  91          1HZ       LYS  91  18.196   7.342   7.342
  682    H    ALA  92           H        ALA  92  17.237  -0.505  -0.505
  683    HA   ALA  92           HA       ALA  92  15.034   1.249   1.249
  684   1HB   ALA  92          1HB       ALA  92  15.991  -1.421  -1.421
  685   2HB   ALA  92          2HB       ALA  92  14.610  -0.524  -0.524
  686   3HB   ALA  92          3HB       ALA  92  16.224   0.186   0.186
  687    H    LYS  93           HN       LYS  93  14.273   1.057   1.057
  688    HA   LYS  93           HA       LYS  93  12.518  -1.338  -1.338
  689   1HB   LYS  93          1HB       LYS  93  13.447   0.837   0.837
  690   2HB   LYS  93          2HB       LYS  93  12.460  -0.577  -0.577
  691   1HG   LYS  93          2HG       LYS  93  14.311  -2.076  -2.076
  692   2HG   LYS  93          1HG       LYS  93  15.313  -0.657  -0.657
  693   1HD   LYS  93          2HD       LYS  93  15.192   0.049   0.049
  694   2HD   LYS  93          1HD       LYS  93  14.143  -1.330  -1.330
  695   1HE   LYS  93          2HE       LYS  93  16.418  -1.840  -1.840
  696   2HE   LYS  93          1HE       LYS  93  15.959  -2.903  -2.903
  697   1HZ   LYS  93          3HZ       LYS  93  17.566  -0.453  -0.453
  698   2HZ   LYS  93          1HZ       LYS  93  18.168  -1.985  -1.985
  699   3HZ   LYS  93          2HZ       LYS  93  17.223  -1.519  -1.519
  700    H    THR  94           H        THR  94  10.349  -0.693  -0.693
  701    HA   THR  94           HA       THR  94   9.207   1.827   1.827
  702    HB   THR  94           HB       THR  94   8.396   0.223   0.223
  703    HG1  THR  94           HG1      THR  94   6.213   0.146   0.146
  704   1HG2  THR  94          3HG2      THR  94   7.764  -1.637  -1.637
  705   2HG2  THR  94          2HG2      THR  94   7.324  -1.908  -1.908
  706   3HG2  THR  94          1HG2      THR  94   9.028  -1.893  -1.893
  707    H    GLY  95           H        GLY  95   7.481   2.512   2.512
  708   1HA   GLY  95          1HA       GLY  95   7.788   1.825   1.825
  709   2HA   GLY  95          2HA       GLY  95   6.554   2.874   2.874
  710    H    MET  96           H        MET  96   6.126   0.385   0.385
  711    HA   MET  96           HA       MET  96   3.815  -0.482  -0.482
  712   1HB   MET  96          2HB       MET  96   4.330  -0.256  -0.256
  713   2HB   MET  96          1HB       MET  96   5.089  -1.852  -1.852
  714   1HG   MET  96          2HG       MET  96   2.901  -2.764  -2.764
  715   2HG   MET  96          1HG       MET  96   2.356  -1.231  -1.231
  716   1HE   MET  96          2HE       MET  96   3.160  -3.992  -3.992
  717   2HE   MET  96          1HE       MET  96   1.434  -4.151  -4.151
  718   3HE   MET  96          3HE       MET  96   1.920  -3.673  -3.673
  719    H    ALA  97           H        ALA  97   4.786  -1.207  -1.207
  720    HA   ALA  97           HA       ALA  97   5.996  -3.839  -3.839
  721   1HB   ALA  97          1HB       ALA  97   6.344  -2.131  -2.131
  722   2HB   ALA  97          3HB       ALA  97   4.619  -2.194  -2.194
  723   3HB   ALA  97          2HB       ALA  97   5.653  -3.616  -3.616
  724    H    PHE  98           H        PHE  98   4.066  -4.379  -4.379
  725    HA   PHE  98           HA       PHE  98   2.301  -6.238  -6.238
  726   1HB   PHE  98          2HB       PHE  98   0.879  -4.327  -4.327
  727   2HB   PHE  98          1HB       PHE  98   1.252  -3.910  -3.910
  728    HD1  PHE  98           HD2      PHE  98  -0.695  -6.174  -6.174
  729    HD2  PHE  98           HD1      PHE  98   0.259  -5.154  -5.154
  730    HE1  PHE  98           HE2      PHE  98  -2.601  -7.543  -7.543
  731    HE2  PHE  98           HE1      PHE  98  -1.590  -6.591  -6.591
  732    HZ   PHE  98           HZ       PHE  98  -3.049  -7.762  -7.762
  733    H    LYS  99           HN       LYS  99   2.502  -8.071  -8.071
  734    HA   LYS  99           HA       LYS  99   3.189  -8.001  -8.001
  735   1HB   LYS  99          2HB       LYS  99   3.660 -10.412 -10.412
  736   2HB   LYS  99          1HB       LYS  99   4.259 -10.021 -10.021
  737   1HG   LYS  99          1HG       LYS  99   5.417  -7.985  -7.985
  738   2HG   LYS  99          2HG       LYS  99   5.192  -8.977  -8.977
  739   1HD   LYS  99          2HD       LYS  99   6.427 -10.842 -10.842
  740   2HD   LYS  99          1HD       LYS  99   6.531  -9.969  -9.969
  741   1HE   LYS  99          1HE       LYS  99   7.862  -8.162  -8.162
  742   2HE   LYS  99          2HE       LYS  99   7.864  -9.156  -9.156
  743   1HZ   LYS  99          2HZ       LYS  99   8.967 -10.869 -10.869
  744   2HZ   LYS  99          1HZ       LYS  99   8.994  -9.876  -9.876
  745   3HZ   LYS  99          3HZ       LYS  99   9.835  -9.468  -9.468
  746    H    LEU 100           H        LEU 100   2.336 -10.324 -10.324
  747    HA   LEU 100           HA       LEU 100  -0.431 -10.810 -10.810
  748   1HB   LEU 100          1HB       LEU 100  -0.121  -9.084  -9.084
  749   2HB   LEU 100          2HB       LEU 100   0.409 -10.481 -10.481
  750    HG   LEU 100           HG       LEU 100  -1.908 -11.542 -11.542
  751   1HD1  LEU 100          2HD1      LEU 100  -2.424  -8.546  -8.546
  752   2HD1  LEU 100          3HD1      LEU 100  -3.658  -9.817  -9.817
  753   3HD1  LEU 100          1HD1      LEU 100  -2.491  -9.676  -9.676
  754   1HD2  LEU 100          1HD2      LEU 100  -1.258 -11.174 -11.174
  755   2HD2  LEU 100          3HD2      LEU 100  -2.961 -10.789 -10.789
  756   3HD2  LEU 100          2HD2      LEU 100  -1.778  -9.469  -9.469
  757    H    ALA 101           H        ALA 101  -1.184 -12.845 -12.845
  758    HA   ALA 101           HA       ALA 101   1.017 -14.834 -14.834
  759   1HB   ALA 101          3HB       ALA 101   0.104 -14.980 -14.980
  760   2HB   ALA 101          2HB       ALA 101  -1.542 -15.130 -15.130
  761   3HB   ALA 101          1HB       ALA 101  -0.332 -16.404 -16.404
  762    H    LYS 102           HN       LYS 102   0.076 -13.474 -13.474
  763    HA   LYS 102           HA       LYS 102  -0.558 -13.818 -13.818
  764   1HB   LYS 102          1HB       LYS 102  -1.815 -16.486 -16.486
  765   2HB   LYS 102          2HB       LYS 102  -1.530 -15.834 -15.834
  766   1HG   LYS 102          1HG       LYS 102   0.861 -15.960 -15.960
  767   2HG   LYS 102          2HG       LYS 102   0.733 -16.360 -16.360
  768   1HD   LYS 102          1HD       LYS 102   1.288 -18.318 -18.318
  769   2HD   LYS 102          2HD       LYS 102  -0.267 -18.526 -18.526
  770   1HE   LYS 102          2HE       LYS 102  -0.113 -17.585 -17.585
  771   2HE   LYS 102          1HE       LYS 102   0.044 -19.298 -19.298
  772   1HZ   LYS 102          2HZ       LYS 102  -2.062 -19.235 -19.235
  773   2HZ   LYS 102          1HZ       LYS 102  -2.265 -17.642 -17.642
  774   3HZ   LYS 102          3HZ       LYS 102  -2.193 -18.750 -18.750
  775    H    GLY 103           H        GLY 103  -2.590 -13.843 -13.843
  776   1HA   GLY 103          1HA       GLY 103  -4.967 -13.440 -13.440
  777   2HA   GLY 103          2HA       GLY 103  -4.898 -12.751 -12.751
  778    H    GLY 104           H        GLY 104  -2.166 -11.565 -11.565
  779   1HA   GLY 104          1HA       GLY 104  -2.728  -8.962  -8.962
  780   2HA   GLY 104          2HA       GLY 104  -1.241  -9.792  -9.792
  781    H    GLU 105           HN       GLU 105  -2.534 -11.634 -11.634
  782    HA   GLU 105           HA       GLU 105  -2.560 -10.054 -10.054
  783   1HB   GLU 105          1HB       GLU 105  -3.534 -12.177 -12.177
  784   2HB   GLU 105          2HB       GLU 105  -1.917 -12.278 -12.278
  785   1HG   GLU 105          2HG       GLU 105  -4.292 -13.109 -13.109
  786   2HG   GLU 105          1HG       GLU 105  -3.716 -14.152 -14.152
  787    H    ASP 106           HN       ASP 106  -5.148 -11.414 -11.414
  788    HA   ASP 106           HA       ASP 106  -7.341 -10.596 -10.596
  789   1HB   ASP 106          1HB       ASP 106  -7.315 -11.285 -11.285
  790   2HB   ASP 106          2HB       ASP 106  -8.735 -11.100 -11.100
  791    H    VAL 107           H        VAL 107  -5.724  -9.295  -9.295
  792    HA   VAL 107           HA       VAL 107  -7.352  -6.967  -6.967
  793    HB   VAL 107           HB       VAL 107  -4.460  -7.427  -7.427
  794   1HG1  VAL 107          2HG2      VAL 107  -6.419  -5.194  -5.194
  795   2HG1  VAL 107          3HG2      VAL 107  -4.978  -5.552  -5.552
  796   3HG1  VAL 107          1HG2      VAL 107  -4.801  -5.031  -5.031
  797   1HG2  VAL 107          3HG1      VAL 107  -6.158  -8.942  -8.942
  798   2HG2  VAL 107          1HG1      VAL 107  -5.453  -7.821  -7.821
  799   3HG2  VAL 107          2HG1      VAL 107  -7.079  -7.520  -7.520
  800    H    ALA 108           H        ALA 108  -4.239  -7.428  -7.428
  801    HA   ALA 108           HA       ALA 108  -4.047  -4.836  -4.836
  802   1HB   ALA 108          1HB       ALA 108  -2.252  -6.510  -6.510
  803   2HB   ALA 108          3HB       ALA 108  -3.229  -7.495  -7.495
  804   3HB   ALA 108          2HB       ALA 108  -2.677  -5.887  -5.887
  805    H    ALA 109           H        ALA 109  -5.685  -7.740  -7.740
  806    HA   ALA 109           HA       ALA 109  -6.768  -6.501  -6.501
  807   1HB   ALA 109          3HB       ALA 109  -6.815  -8.916  -8.916
  808   2HB   ALA 109          1HB       ALA 109  -8.035  -8.708  -8.708
  809   3HB   ALA 109          2HB       ALA 109  -8.424  -8.289  -8.289
  810    H    TYR 110           H        TYR 110  -8.173  -6.680  -6.680
  811    HA   TYR 110           HA       TYR 110 -10.555  -5.267  -5.267
  812   1HB   TYR 110          2HB       TYR 110 -10.373  -6.392  -6.392
  813   2HB   TYR 110          1HB       TYR 110  -8.909  -5.542  -5.542
  814    HD1  TYR 110           HD1      TYR 110 -12.462  -4.784  -4.784
  815    HD2  TYR 110           HD2      TYR 110  -9.069  -3.711  -3.711
  816    HE1  TYR 110           HE1      TYR 110 -13.741  -2.898  -2.898
  817    HE2  TYR 110           HE2      TYR 110 -10.383  -1.870  -1.870
  818    HH   TYR 110           HH       TYR 110 -13.821  -1.517  -1.517
  819    H    LEU 111           H        LEU 111  -7.380  -3.982  -3.982
  820    HA   LEU 111           HA       LEU 111  -8.143  -1.250  -1.250
  821   1HB   LEU 111          1HB       LEU 111  -5.454  -2.573  -2.573
  822   2HB   LEU 111          2HB       LEU 111  -5.657  -0.829  -0.829
  823    HG   LEU 111           HG       LEU 111  -6.544  -2.820  -2.820
  824   1HD1  LEU 111          1HD2      LEU 111  -4.097  -2.909  -2.909
  825   2HD1  LEU 111          3HD2      LEU 111  -4.011  -1.142  -1.142
  826   3HD1  LEU 111          2HD2      LEU 111  -4.525  -2.164  -2.164
  827   1HD2  LEU 111          2HD1      LEU 111  -6.280   0.218   0.218
  828   2HD2  LEU 111          1HD1      LEU 111  -7.743  -0.733  -0.733
  829   3HD2  LEU 111          3HD1      LEU 111  -6.415  -0.714  -0.714
  830    H    ALA 112           H        ALA 112  -6.813  -3.221  -3.221
  831    HA   ALA 112           HA       ALA 112  -6.783  -1.066  -1.066
  832   1HB   ALA 112          1HB       ALA 112  -7.078  -4.068  -4.068
  833   2HB   ALA 112          3HB       ALA 112  -6.686  -2.858  -2.858
  834   3HB   ALA 112          2HB       ALA 112  -5.558  -3.153  -3.153
  835    H    SER 113           H        SER 113  -9.314  -3.384  -3.384
  836    HA   SER 113           HA       SER 113 -11.134  -2.728  -2.728
  837   1HB   SER 113          2HB       SER 113 -11.706  -3.994  -3.994
  838   2HB   SER 113          1HB       SER 113 -12.776  -3.983  -3.983
  839    HG   SER 113           HG       SER 113 -10.171  -5.125  -5.125
  840    H    VAL 114           H        VAL 114 -11.062  -1.613  -1.613
  841    HA   VAL 114           HA       VAL 114 -13.504  -0.325  -0.325
  842    HB   VAL 114           HB       VAL 114 -12.343  -1.083  -1.083
  843   1HG1  VAL 114          1HG1      VAL 114 -10.018  -0.259  -0.259
  844   2HG1  VAL 114          3HG1      VAL 114 -10.552   1.251   1.251
  845   3HG1  VAL 114          2HG1      VAL 114 -10.672  -0.278  -0.278
  846   1HG2  VAL 114          2HG2      VAL 114 -14.171   0.540   0.540
  847   2HG2  VAL 114          1HG2      VAL 114 -13.039   0.679   0.679
  848   3HG2  VAL 114          3HG2      VAL 114 -12.972   1.863   1.863
  849    H    VAL 115           H        VAL 115 -10.600   1.331   1.331
  850    HA   VAL 115           HA       VAL 115 -10.536   3.786   3.786
  851    HB   VAL 115           HB       VAL 115  -8.641   2.665   2.665
  852   1HG1  VAL 115          1HG2      VAL 115  -9.569   1.282   1.282
  853   2HG1  VAL 115          2HG2      VAL 115  -9.724   2.717   2.717
  854   3HG1  VAL 115          3HG2      VAL 115  -8.124   2.163   2.163
  855   1HG2  VAL 115          3HG1      VAL 115  -8.612   5.112   5.112
  856   2HG2  VAL 115          2HG1      VAL 115  -7.580   4.385   4.385
  857   3HG2  VAL 115          1HG1      VAL 115  -9.135   5.073   5.073
  858    H    LYS 116           HN       LYS 116 -12.866   4.211   4.211
  859    HA   LYS 116           HA       LYS 116 -13.399   6.199   6.199
  860   1HB   LYS 116          1HB       LYS 116 -14.121   4.302   4.302
  861   2HB   LYS 116          2HB       LYS 116 -14.998   3.610   3.610
  862   1HG   LYS 116          1HG       LYS 116 -16.532   4.576   4.576
  863   2HG   LYS 116          2HG       LYS 116 -16.611   5.472   5.472
  864   1HD   LYS 116          1HD       LYS 116 -14.886   6.468   6.468
  865   2HD   LYS 116          2HD       LYS 116 -16.641   6.686   6.686
  866   1HE   LYS 116          2HE       LYS 116 -16.471   7.841   7.841
  867   2HE   LYS 116          1HE       LYS 116 -14.719   7.864   7.864
  868   1HZ   LYS 116          2HZ       LYS 116 -15.011   9.073   9.073
  869   2HZ   LYS 116          3HZ       LYS 116 -16.650   9.082   9.082
  870   3HZ   LYS 116          1HZ       LYS 116 -15.686   9.862   9.862
  871    HHA  HEC 117           HHA      HEM 117   2.794   2.755   2.755
  872    HHB  HEC 117           HHB      HEM 117  -0.900  -1.753  -1.753
  873    HHC  HEC 117           HHC      HEM 117  -2.420  -3.824  -3.824
  874    HHD  HEC 117           HHD      HEM 117   1.542   0.413   0.413
  875   1HMA  HEC 117          1HMA      HEM 117   1.448  -1.367  -1.367
  876   2HMA  HEC 117          2HMA      HEM 117  -0.015  -0.379  -0.379
  877   3HMA  HEC 117          3HMA      HEM 117   1.585   0.313   0.313
  878   1HAA  HEC 117          1HAA      HEM 117   3.682   2.204   2.204
  879   2HAA  HEC 117          2HAA      HEM 117   3.355   1.305   1.305
  880   1HBA  HEC 117          1HBA      HEM 117   1.728   3.712   3.712
  881   2HBA  HEC 117          2HBA      HEM 117   1.577   2.860   2.860
  882   1HMB  HEC 117          1HMB      HEM 117  -4.128  -3.471  -3.471
  883   2HMB  HEC 117          2HMB      HEM 117  -2.867  -2.664  -2.664
  884   3HMB  HEC 117          3HMB      HEM 117  -2.708  -4.388  -4.388
  885    HAB  HEC 117           HAB      HEM 117  -3.507  -4.998  -4.998
  886   1HBB  HEC 117          1HBB      HEM 117  -3.814  -6.918  -6.918
  887   2HBB  HEC 117          2HBB      HEM 117  -2.116  -6.392  -6.392
  888   3HBB  HEC 117          3HBB      HEM 117  -3.232  -6.057  -6.057
  889   1HMC  HEC 117          1HMC      HEM 117  -1.974  -3.419  -3.419
  890   2HMC  HEC 117          2HMC      HEM 117  -2.576  -4.060  -4.060
  891   3HMC  HEC 117          3HMC      HEM 117  -3.332  -2.621  -2.621
  892    HAC  HEC 117           HAC      HEM 117  -0.941  -1.664  -1.664
  893   1HBC  HEC 117          1HBC      HEM 117   0.492   0.967   0.967
  894   2HBC  HEC 117          2HBC      HEM 117   1.340  -0.609  -0.609
  895   3HBC  HEC 117          3HBC      HEM 117   0.259   0.006   0.006
  896   1HMD  HEC 117          1HMD      HEM 117   3.330   2.026   2.026
  897   2HMD  HEC 117          2HMD      HEM 117   1.970   3.169   3.169
  898   3HMD  HEC 117          3HMD      HEM 117   3.533   3.653   3.653
  899   1HAD  HEC 117          1HAD      HEM 117   3.717   4.562   4.562
  900   2HAD  HEC 117          2HAD      HEM 117   3.464   4.328   4.328
  901   1HBD  HEC 117          1HBD      HEM 117   5.294   2.531   2.531
  902   2HBD  HEC 117          2HBD      HEM 117   5.267   2.723   2.723

  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -7.405 -10.491 -10.491
    2   2H    GLY   1          2H        GLY   1  -7.815 -12.011 -12.011
    3   1HA   GLY   1          1HA       GLY   1  -7.056 -13.057 -13.057
    4   2HA   GLY   1          2HA       GLY   1  -6.589 -11.469 -11.469
    5    H    ASP   2           HN       ASP   2  -8.288 -13.192 -13.192
    6    HA   ASP   2           HA       ASP   2 -11.047 -12.710 -12.710
    7   1HB   ASP   2          2HB       ASP   2  -9.526 -13.524 -13.524
    8   2HB   ASP   2          1HB       ASP   2 -11.264 -13.703 -13.703
    9    H    ALA   3           H        ALA   3 -10.741 -10.289 -10.289
   10    HA   ALA   3           HA       ALA   3 -10.251  -8.370  -8.370
   11   1HB   ALA   3          2HB       ALA   3 -10.998  -7.924  -7.924
   12   2HB   ALA   3          1HB       ALA   3 -12.652  -8.427  -8.427
   13   3HB   ALA   3          3HB       ALA   3 -11.948  -6.972  -6.972
   14    H    ALA   4           H        ALA   4 -13.282 -10.284 -10.284
   15    HA   ALA   4           HA       ALA   4 -14.597  -8.878  -8.878
   16   1HB   ALA   4          2HB       ALA   4 -15.736 -10.492 -10.492
   17   2HB   ALA   4          3HB       ALA   4 -14.780 -11.823 -11.823
   18   3HB   ALA   4          1HB       ALA   4 -15.935 -10.935 -10.935
   19    H    LYS   5           HN       LYS   5 -12.241 -11.581 -11.581
   20    HA   LYS   5           HA       LYS   5 -12.478 -12.000 -12.000
   21   1HB   LYS   5          1HB       LYS   5 -10.316 -12.838 -12.838
   22   2HB   LYS   5          2HB       LYS   5 -10.449 -13.384 -13.384
   23   1HG   LYS   5          2HG       LYS   5 -12.602 -13.887 -13.887
   24   2HG   LYS   5          1HG       LYS   5 -11.252 -14.978 -14.978
   25   1HD   LYS   5          2HD       LYS   5 -12.012 -15.226 -15.226
   26   2HD   LYS   5          1HD       LYS   5 -13.352 -14.108 -14.108
   27   1HE   LYS   5          2HE       LYS   5 -14.143 -16.418 -16.418
   28   2HE   LYS   5          1HE       LYS   5 -14.297 -15.645 -15.645
   29   1HZ   LYS   5          1HZ       LYS   5 -12.117 -17.443 -17.443
   30   2HZ   LYS   5          2HZ       LYS   5 -13.405 -17.860 -17.860
   31   3HZ   LYS   5          3HZ       LYS   5 -12.309 -16.765 -16.765
   32    H    GLY   6           H        GLY   6 -10.428 -10.192 -10.192
   33   1HA   GLY   6          1HA       GLY   6  -8.532  -9.121  -9.121
   34   2HA   GLY   6          2HA       GLY   6  -9.136  -8.323  -8.323
   35    H    GLU   7           HN       GLU   7 -11.733  -7.816  -7.816
   36    HA   GLU   7           HA       GLU   7 -11.762  -5.511  -5.511
   37   1HB   GLU   7          2HB       GLU   7 -13.383  -6.102  -6.102
   38   2HB   GLU   7          1HB       GLU   7 -14.145  -7.273  -7.273
   39   1HG   GLU   7          2HG       GLU   7 -14.746  -5.474  -5.474
   40   2HG   GLU   7          1HG       GLU   7 -13.909  -4.285  -4.285
   41    H    LYS   8           HN       LYS   8 -12.972  -8.824  -8.824
   42    HA   LYS   8           HA       LYS   8 -13.786  -8.208  -8.208
   43   1HB   LYS   8          1HB       LYS   8 -12.854 -10.830 -10.830
   44   2HB   LYS   8          2HB       LYS   8 -13.574 -10.675 -10.675
   45   1HG   LYS   8          2HG       LYS   8 -15.635  -9.747  -9.747
   46   2HG   LYS   8          1HG       LYS   8 -14.951  -9.797  -9.797
   47   1HD   LYS   8          2HD       LYS   8 -14.712 -12.267 -12.267
   48   2HD   LYS   8          1HD       LYS   8 -15.436 -12.217 -12.217
   49   1HE   LYS   8          2HE       LYS   8 -17.515 -11.236 -11.236
   50   2HE   LYS   8          1HE       LYS   8 -16.786 -11.291 -11.291
   51   1HZ   LYS   8          2HZ       LYS   8 -17.331 -13.613 -13.613
   52   2HZ   LYS   8          1HZ       LYS   8 -18.209 -13.151 -13.151
   53   3HZ   LYS   8          3HZ       LYS   8 -16.655 -13.666 -13.666
   54    H    GLU   9           HN       GLU   9 -10.670  -9.490  -9.490
   55    HA   GLU   9           HA       GLU   9  -9.337  -9.723  -9.723
   56   1HB   GLU   9          2HB       GLU   9  -8.663 -10.570 -10.570
   57   2HB   GLU   9          1HB       GLU   9  -8.090  -8.933  -8.933
   58   1HG   GLU   9          2HG       GLU   9  -6.206 -10.246 -10.246
   59   2HG   GLU   9          1HG       GLU   9  -6.562  -9.196  -9.196
   60    H    PHE  10           H        PHE  10  -9.816  -6.931  -6.931
   61    HA   PHE  10           HA       PHE  10  -8.128  -5.101  -5.101
   62   1HB   PHE  10          1HB       PHE  10  -9.711  -4.943  -4.943
   63   2HB   PHE  10          2HB       PHE  10 -10.815  -4.175  -4.175
   64    HD1  PHE  10           HD2      PHE  10  -7.410  -4.013  -4.013
   65    HD2  PHE  10           HD1      PHE  10 -10.359  -1.911  -1.911
   66    HE1  PHE  10           HE2      PHE  10  -6.013  -1.977  -1.977
   67    HE2  PHE  10           HE1      PHE  10  -8.944   0.127   0.127
   68    HZ   PHE  10           HZ       PHE  10  -6.771   0.100   0.100
   69    H    ASN  11           H        ASN  11 -10.922  -6.525  -6.525
   70    HA   ASN  11           HA       ASN  11 -11.779  -4.608  -4.608
   71   1HB   ASN  11          2HB       ASN  11 -12.853  -6.783  -6.783
   72   2HB   ASN  11          1HB       ASN  11 -11.403  -7.600  -7.600
   73   1HD2  ASN  11          1HD2      ASN  11 -12.375  -7.140  -7.140
   74   2HD2  ASN  11          2HD2      ASN  11 -11.362  -7.991  -7.991
   75    H    LYS  12           HN       LYS  12  -8.697  -6.447  -6.447
   76    HA   LYS  12           HA       LYS  12  -7.932  -5.600  -5.600
   77   1HB   LYS  12          2HB       LYS  12  -6.275  -6.712  -6.712
   78   2HB   LYS  12          1HB       LYS  12  -5.761  -6.510  -6.510
   79   1HG   LYS  12          2HG       LYS  12  -7.744  -8.050  -8.050
   80   2HG   LYS  12          1HG       LYS  12  -7.855  -8.427  -8.427
   81   1HD   LYS  12          1HD       LYS  12  -5.453  -8.870  -8.870
   82   2HD   LYS  12          2HD       LYS  12  -6.515 -10.116 -10.116
   83   1HE   LYS  12          1HE       LYS  12  -5.783  -9.480  -9.480
   84   2HE   LYS  12          2HE       LYS  12  -4.707  -8.260  -8.260
   85   1HZ   LYS  12          3HZ       LYS  12  -3.554 -10.021 -10.021
   86   2HZ   LYS  12          1HZ       LYS  12  -4.537 -11.150 -11.150
   87   3HZ   LYS  12          2HZ       LYS  12  -3.527 -10.245 -10.245
   88    H    CYS  13           H        CYS  13  -6.873  -4.862  -4.862
   89    HA   CYS  13           HA       CYS  13  -4.981  -2.914  -2.914
   90   1HB   CYS  13          1HB       CYS  13  -7.009  -2.752  -2.752
   91   2HB   CYS  13          2HB       CYS  13  -5.346  -2.153  -2.153
   92    H    LYS  14           HN       LYS  14  -8.482  -2.395  -2.395
   93    HA   LYS  14           HA       LYS  14  -8.576   0.353   0.353
   94   1HB   LYS  14          2HB       LYS  14 -10.924   0.120   0.120
   95   2HB   LYS  14          1HB       LYS  14 -10.469  -1.254  -1.254
   96   1HG   LYS  14          2HG       LYS  14 -11.575  -2.398  -2.398
   97   2HG   LYS  14          1HG       LYS  14 -10.016  -2.316  -2.316
   98   1HD   LYS  14          1HD       LYS  14 -10.885  -0.231  -0.231
   99   2HD   LYS  14          2HD       LYS  14 -12.408  -0.436  -0.436
  100   1HE   LYS  14          2HE       LYS  14 -12.598  -1.329  -1.329
  101   2HE   LYS  14          1HE       LYS  14 -12.723  -2.658  -2.658
  102   1HZ   LYS  14          1HZ       LYS  14 -10.251  -1.948  -1.948
  103   2HZ   LYS  14          2HZ       LYS  14 -11.303  -3.139  -3.139
  104   3HZ   LYS  14          3HZ       LYS  14 -10.495  -3.243  -3.243
  105    H    THR  15           H        THR  15  -7.804  -1.582  -1.582
  106    HA   THR  15           HA       THR  15  -8.672   0.278   0.278
  107    HB   THR  15           HB       THR  15  -6.215  -1.526  -1.526
  108    HG1  THR  15           HG1      THR  15  -7.788  -2.872  -2.872
  109   1HG2  THR  15          2HG2      THR  15  -8.215  -0.596  -0.596
  110   2HG2  THR  15          1HG2      THR  15  -6.844  -1.691  -1.691
  111   3HG2  THR  15          3HG2      THR  15  -6.549   0.000   0.000
  112    H    CYS  16           H        CYS  16  -5.789   0.030   0.030
  113    HA   CYS  16           HA       CYS  16  -4.500   2.382   2.382
  114   1HB   CYS  16          2HB       CYS  16  -3.551   0.148   0.148
  115   2HB   CYS  16          1HB       CYS  16  -2.586   1.594   1.594
  116    H    HIS  17           HN       HIS  17  -5.544   1.095   1.095
  117    HA   HIS  17           HA       HIS  17  -4.593   3.512   3.512
  118   1HB   HIS  17          1HB       HIS  17  -5.616   0.768   0.768
  119   2HB   HIS  17          2HB       HIS  17  -5.467   2.074   2.074
  120    HD1  HIS  17           HD1      HIS  17  -3.076   3.188   3.188
  121    HD2  HIS  17           HD2      HIS  17  -3.095  -0.381  -0.381
  122    HE1  HIS  17           HE1      HIS  17  -0.720   2.252   2.252
  123    H    SER  18           H        SER  18  -6.165   4.133   4.133
  124    HA   SER  18           HA       SER  18  -8.953   4.278   4.278
  125   1HB   SER  18          1HB       SER  18  -7.129   6.710   6.710
  126   2HB   SER  18          2HB       SER  18  -8.890   6.814   6.814
  127    HG   SER  18           HG       SER  18  -7.717   5.361   5.361
  128    H    ILE  19           H        ILE  19 -10.242   5.279   5.279
  129    HA   ILE  19           HA       ILE  19  -9.072   5.165   5.165
  130    HB   ILE  19           HB       ILE  19 -11.318   3.334   3.334
  131   1HG1  ILE  19          2HG1      ILE  19  -8.520   2.714   2.714
  132   2HG1  ILE  19          1HG1      ILE  19  -9.121   2.403   2.403
  133   1HG2  ILE  19          1HG2      ILE  19 -11.628   4.370   4.370
  134   2HG2  ILE  19          3HG2      ILE  19 -10.117   3.551   3.551
  135   3HG2  ILE  19          2HG2      ILE  19 -11.555   2.618   2.618
  136   1HD1  ILE  19          2HD1      ILE  19 -10.798   0.818   0.818
  137   2HD1  ILE  19          3HD1      ILE  19 -10.067   1.015   1.015
  138   3HD1  ILE  19          1HD1      ILE  19  -9.115   0.338   0.338
  139    H    ILE  20           H        ILE  20  -9.927   6.987   6.987
  140    HA   ILE  20           HA       ILE  20 -12.628   7.908   7.908
  141    HB   ILE  20           HB       ILE  20 -10.683   9.060   9.060
  142   1HG1  ILE  20          1HG1      ILE  20 -12.074  11.251  11.251
  143   2HG1  ILE  20          2HG1      ILE  20 -13.133  10.040  10.040
  144   1HG2  ILE  20          3HG2      ILE  20  -9.194   9.223   9.223
  145   2HG2  ILE  20          1HG2      ILE  20 -10.288  10.460  10.460
  146   3HG2  ILE  20          2HG2      ILE  20  -9.413  10.750  10.750
  147   1HD1  ILE  20          1HD1      ILE  20 -10.875  11.428  11.428
  148   2HD1  ILE  20          2HD1      ILE  20 -12.601  11.838  11.838
  149   3HD1  ILE  20          3HD1      ILE  20 -12.021  10.251  10.251
  150    H    ALA  21           H        ALA  21 -13.950   8.482   8.482
  151    HA   ALA  21           HA       ALA  21 -13.099   7.810   7.810
  152   1HB   ALA  21          2HB       ALA  21 -15.442   7.618   7.618
  153   2HB   ALA  21          1HB       ALA  21 -15.532   9.390   9.390
  154   3HB   ALA  21          3HB       ALA  21 -15.341   8.587   8.587
  155    HA   PRO  22           HA       PRO  22 -11.233  11.564  11.564
  156   1HB   PRO  22          1HB       PRO  22 -13.306  11.724  11.724
  157   2HB   PRO  22          2HB       PRO  22 -11.531  11.894  11.894
  158   1HG   PRO  22          2HG       PRO  22 -12.696   9.552   9.552
  159   2HG   PRO  22          1HG       PRO  22 -11.232   9.526   9.526
  160   1HD   PRO  22          2HD       PRO  22 -14.124   9.306   9.306
  161   2HD   PRO  22          1HD       PRO  22 -12.737   8.282   8.282
  162    H    ASP  23           HN       ASP  23 -14.779  11.649  11.649
  163    HA   ASP  23           HA       ASP  23 -15.085  14.496  14.496
  164   1HB   ASP  23          2HB       ASP  23 -17.466  13.839  13.839
  165   2HB   ASP  23          1HB       ASP  23 -16.807  13.107  13.107
  166    H    GLY  24           H        GLY  24 -13.929  12.320  12.320
  167   1HA   GLY  24          1HA       GLY  24 -13.356  13.079  13.079
  168   2HA   GLY  24          2HA       GLY  24 -14.707  14.202  14.202
  169    H    THR  25           H        THR  25 -16.334  11.567  11.567
  170    HA   THR  25           HA       THR  25 -17.459  10.981  10.981
  171    HB   THR  25           HB       THR  25 -17.517   9.275   9.275
  172    HG1  THR  25           HG1      THR  25 -18.392  11.287  11.287
  173   1HG2  THR  25          3HG2      THR  25 -19.315   9.283   9.283
  174   2HG2  THR  25          1HG2      THR  25 -19.628   8.398   8.398
  175   3HG2  THR  25          2HG2      THR  25 -18.239   7.956   7.956
  176    H    GLU  26           HN       GLU  26 -16.505  10.031  10.031
  177    HA   GLU  26           HA       GLU  26 -14.066   8.565   8.565
  178   1HB   GLU  26          2HB       GLU  26 -16.000   8.544   8.544
  179   2HB   GLU  26          1HB       GLU  26 -14.247   8.313   8.313
  180   1HG   GLU  26          2HG       GLU  26 -14.161  10.757  10.757
  181   2HG   GLU  26          1HG       GLU  26 -15.828  10.884  10.884
  182    H    ILE  27           H        ILE  27 -13.794   6.464   6.464
  183    HA   ILE  27           HA       ILE  27 -16.124   4.601   4.601
  184    HB   ILE  27           HB       ILE  27 -13.334   4.190   4.190
  185   1HG1  ILE  27          1HG1      ILE  27 -14.245   6.009   6.009
  186   2HG1  ILE  27          2HG1      ILE  27 -14.275   4.544   4.544
  187   1HG2  ILE  27          1HG2      ILE  27 -15.916   2.635   2.635
  188   2HG2  ILE  27          2HG2      ILE  27 -14.407   2.353   2.353
  189   3HG2  ILE  27          3HG2      ILE  27 -14.463   2.099   2.099
  190   1HD1  ILE  27          1HD1      ILE  27 -16.720   4.283   4.283
  191   2HD1  ILE  27          3HD1      ILE  27 -16.669   5.802   5.802
  192   3HD1  ILE  27          2HD1      ILE  27 -16.334   5.806   5.806
  193    H    VAL  28           H        VAL  28 -12.843   5.187   5.187
  194    HA   VAL  28           HA       VAL  28 -13.478   3.584   3.584
  195    HB   VAL  28           HB       VAL  28 -10.930   3.173   3.173
  196   1HG1  VAL  28          2HG1      VAL  28 -11.778   2.046   2.046
  197   2HG1  VAL  28          1HG1      VAL  28 -10.322   1.584   1.584
  198   3HG1  VAL  28          3HG1      VAL  28 -10.462   3.201   3.201
  199   1HG2  VAL  28          3HG2      VAL  28 -13.169   1.243   1.243
  200   2HG2  VAL  28          2HG2      VAL  28 -12.771   1.840   1.840
  201   3HG2  VAL  28          1HG2      VAL  28 -11.628   0.801   0.801
  202    H    LYS  29           HN       LYS  29 -12.892   4.757   4.757
  203    HA   LYS  29           HA       LYS  29 -10.815   6.878   6.878
  204   1HB   LYS  29          2HB       LYS  29 -13.211   7.683   7.683
  205   2HB   LYS  29          1HB       LYS  29 -13.407   7.144   7.144
  206   1HG   LYS  29          2HG       LYS  29 -11.451   9.229   9.229
  207   2HG   LYS  29          1HG       LYS  29 -12.930   9.537   9.537
  208   1HD   LYS  29          2HD       LYS  29 -11.902   8.220   8.220
  209   2HD   LYS  29          1HD       LYS  29 -10.367   8.255   8.255
  210   1HE   LYS  29          2HE       LYS  29 -11.971  10.681  10.681
  211   2HE   LYS  29          1HE       LYS  29 -10.476  10.067  10.067
  212   1HZ   LYS  29          1HZ       LYS  29  -9.363  10.520  10.520
  213   2HZ   LYS  29          3HZ       LYS  29 -10.752  11.119  11.119
  214   3HZ   LYS  29          2HZ       LYS  29 -10.045  11.888  11.888
  215    H    GLY  30           H        GLY  30  -9.530   5.086   5.086
  216   1HA   GLY  30          1HA       GLY  30 -10.017   3.606   3.606
  217   2HA   GLY  30          2HA       GLY  30  -8.498   3.705   3.705
  218    H    ALA  31           H        ALA  31  -7.685   3.739   3.739
  219    HA   ALA  31           HA       ALA  31  -7.813   6.404   6.404
  220   1HB   ALA  31          3HB       ALA  31  -7.812   4.327   4.327
  221   2HB   ALA  31          2HB       ALA  31  -6.210   3.909   3.909
  222   3HB   ALA  31          1HB       ALA  31  -6.414   5.357   5.357
  223    H    LYS  32           HN       LYS  32  -6.984   6.687   6.687
  224    HA   LYS  32           HA       LYS  32  -5.186   6.671   6.671
  225   1HB   LYS  32          1HB       LYS  32  -6.437   8.814   8.814
  226   2HB   LYS  32          2HB       LYS  32  -5.008   9.256   9.256
  227   1HG   LYS  32          1HG       LYS  32  -4.932  10.344  10.344
  228   2HG   LYS  32          2HG       LYS  32  -3.652   9.126   9.126
  229   1HD   LYS  32          1HD       LYS  32  -4.990   7.628   7.628
  230   2HD   LYS  32          2HD       LYS  32  -6.419   8.663   8.663
  231   1HE   LYS  32          1HE       LYS  32  -5.374   9.013   9.013
  232   2HE   LYS  32          2HE       LYS  32  -5.244  10.489  10.489
  233   1HZ   LYS  32          1HZ       LYS  32  -3.134   8.481   8.481
  234   2HZ   LYS  32          3HZ       LYS  32  -3.184   9.984   9.984
  235   3HZ   LYS  32          2HZ       LYS  32  -3.010   9.844   9.844
  236    H    THR  33           H        THR  33  -3.952   4.940   4.940
  237    HA   THR  33           HA       THR  33  -1.474   5.964   5.964
  238    HB   THR  33           HB       THR  33  -2.082   3.062   3.062
  239    HG1  THR  33           HG1      THR  33  -3.530   4.813   4.813
  240   1HG2  THR  33          1HG2      THR  33   0.071   3.704   3.704
  241   2HG2  THR  33          2HG2      THR  33  -0.816   4.541   4.541
  242   3HG2  THR  33          3HG2      THR  33  -0.963   2.781   2.781
  243    H    GLY  34           H        GLY  34  -2.714   4.567   4.567
  244   1HA   GLY  34          1HA       GLY  34  -0.005   4.684   4.684
  245   2HA   GLY  34          2HA       GLY  34  -1.225   3.467   3.467
  246    HA   PRO  35           HA       PRO  35  -1.751   7.499   7.499
  247   1HB   PRO  35          2HB       PRO  35  -1.029   6.529   6.529
  248   2HB   PRO  35          1HB       PRO  35   0.129   7.217   7.217
  249   1HG   PRO  35          1HG       PRO  35  -0.573   4.298   4.298
  250   2HG   PRO  35          2HG       PRO  35   1.058   5.032   5.032
  251   1HD   PRO  35          2HD       PRO  35   0.170   3.945   3.945
  252   2HD   PRO  35          1HD       PRO  35   0.922   5.550   5.550
  253    H    ASN  36           H        ASN  36  -3.230   7.730   7.730
  254    HA   ASN  36           HA       ASN  36  -5.550   5.987   5.987
  255   1HB   ASN  36          2HB       ASN  36  -5.839   8.450   8.450
  256   2HB   ASN  36          1HB       ASN  36  -5.176   8.452   8.452
  257   1HD2  ASN  36          2HD2      ASN  36  -9.084   7.810   7.810
  258   2HD2  ASN  36          1HD2      ASN  36  -8.063   8.611   8.611
  259    H    LEU  37           H        LEU  37  -5.880   4.329   4.329
  260    HA   LEU  37           HA       LEU  37  -3.837   3.958   3.958
  261   1HB   LEU  37          2HB       LEU  37  -5.801   1.961   1.961
  262   2HB   LEU  37          1HB       LEU  37  -4.501   1.630   1.630
  263    HG   LEU  37           HG       LEU  37  -4.178   2.518   2.518
  264   1HD1  LEU  37          1HD1      LEU  37  -4.740   0.130   0.130
  265   2HD1  LEU  37          3HD1      LEU  37  -3.357  -0.028  -0.028
  266   3HD1  LEU  37          2HD1      LEU  37  -3.094   0.313   0.313
  267   1HD2  LEU  37          3HD2      LEU  37  -2.087   2.146   2.146
  268   2HD2  LEU  37          1HD2      LEU  37  -2.369   3.600   3.600
  269   3HD2  LEU  37          2HD2      LEU  37  -1.695   2.144   2.144
  270    H    TYR  38           H        TYR  38  -6.759   5.472   5.472
  271    HA   TYR  38           HA       TYR  38  -7.961   4.120   4.120
  272   1HB   TYR  38          1HB       TYR  38  -9.170   5.650   5.650
  273   2HB   TYR  38          2HB       TYR  38  -8.295   7.020   7.020
  274    HD1  TYR  38           HD1      TYR  38  -8.743   7.727   7.727
  275    HD2  TYR  38           HD2      TYR  38 -11.061   4.667   4.667
  276    HE1  TYR  38           HE1      TYR  38 -10.065   7.428   7.428
  277    HE2  TYR  38           HE2      TYR  38 -12.532   4.538   4.538
  278    HH   TYR  38           HH       TYR  38 -11.748   6.124   6.124
  279    H    GLY  39           H        GLY  39  -6.178   3.729   3.729
  280   1HA   GLY  39          1HA       GLY  39  -5.606   4.495   4.495
  281   2HA   GLY  39          2HA       GLY  39  -5.253   6.080   6.080
  282    H    VAL  40           H        VAL  40  -4.325   3.271   3.271
  283    HA   VAL  40           HA       VAL  40  -1.621   3.992   3.992
  284    HB   VAL  40           HB       VAL  40  -2.893   2.441   2.441
  285   1HG1  VAL  40          1HG2      VAL  40  -3.670   0.815   0.815
  286   2HG1  VAL  40          2HG2      VAL  40  -1.980   0.302   0.302
  287   3HG1  VAL  40          3HG2      VAL  40  -2.790   0.043   0.043
  288   1HG2  VAL  40          1HG1      VAL  40  -0.480   2.863   2.863
  289   2HG2  VAL  40          2HG1      VAL  40  -0.889   1.189   1.189
  290   3HG2  VAL  40          3HG1      VAL  40  -0.125   1.548   1.548
  291    H    VAL  41           H        VAL  41  -3.339   1.671   1.671
  292    HA   VAL  41           HA       VAL  41  -1.036   0.541   0.541
  293    HB   VAL  41           HB       VAL  41  -3.841   0.756   0.756
  294   1HG1  VAL  41          2HG2      VAL  41  -1.478  -1.011  -1.011
  295   2HG1  VAL  41          1HG2      VAL  41  -3.143  -1.201  -1.201
  296   3HG1  VAL  41          3HG2      VAL  41  -2.224   0.247   0.247
  297   1HG2  VAL  41          2HG1      VAL  41  -2.354  -1.383  -1.383
  298   2HG2  VAL  41          3HG1      VAL  41  -3.720  -0.423  -0.423
  299   3HG2  VAL  41          1HG1      VAL  41  -3.967  -1.587  -1.587
  300    H    GLY  42           H        GLY  42   0.422   1.483   1.483
  301   1HA   GLY  42          1HA       GLY  42   1.337   2.530   2.530
  302   2HA   GLY  42          2HA       GLY  42  -0.130   3.494   3.494
  303    H    ARG  43           HN       ARG  43   0.265   3.794   3.794
  304    HA   ARG  43           HA       ARG  43   1.404   6.417   6.417
  305   1HB   ARG  43          2HB       ARG  43  -0.368   5.842   5.842
  306   2HB   ARG  43          1HB       ARG  43   0.852   4.998   4.998
  307   1HG   ARG  43          1HG       ARG  43   0.617   7.153   7.153
  308   2HG   ARG  43          2HG       ARG  43   2.158   7.188   7.188
  309   1HD   ARG  43          2HD       ARG  43   0.999   8.361   8.361
  310   2HD   ARG  43          1HD       ARG  43  -0.511   8.308   8.308
  311    HE   ARG  43           HE       ARG  43   1.594   9.528   9.528
  312   1HH1  ARG  43          1HH1      ARG  43  -0.402  10.159  10.159
  313   2HH1  ARG  43          2HH1      ARG  43  -0.294  11.893  11.893
  314   1HH2  ARG  43          1HH2      ARG  43   1.648  11.767  11.767
  315   2HH2  ARG  43          2HH2      ARG  43   0.940  12.836  12.836
  316    H    THR  44           H        THR  44   3.428   7.189   7.189
  317    HA   THR  44           HA       THR  44   5.627   5.459   5.459
  318    HB   THR  44           HB       THR  44   5.573   8.384   8.384
  319    HG1  THR  44           HG1      THR  44   5.379   7.164   7.164
  320   1HG2  THR  44          2HG2      THR  44   7.648   6.713   6.713
  321   2HG2  THR  44          1HG2      THR  44   7.707   8.475   8.475
  322   3HG2  THR  44          3HG2      THR  44   7.823   7.402   7.402
  323    H    ALA  45           H        ALA  45   4.908   4.100   4.100
  324    HA   ALA  45           HA       ALA  45   5.407   3.312   3.312
  325   1HB   ALA  45          2HB       ALA  45   7.764   3.932   3.932
  326   2HB   ALA  45          1HB       ALA  45   7.667   5.310   5.310
  327   3HB   ALA  45          3HB       ALA  45   7.559   3.661   3.661
  328    H    GLY  46           H        GLY  46   6.601   5.045   5.045
  329   1HA   GLY  46          1HA       GLY  46   4.224   6.073   6.073
  330   2HA   GLY  46          2HA       GLY  46   5.872   6.264   6.264
  331    H    THR  47           H        THR  47   3.719   7.460   7.460
  332    HA   THR  47           HA       THR  47   4.468  10.281  10.281
  333    HB   THR  47           HB       THR  47   4.354  10.707  10.707
  334    HG1  THR  47           HG1      THR  47   4.802   7.937   7.937
  335   1HG2  THR  47          3HG2      THR  47   6.526  10.566  10.566
  336   2HG2  THR  47          1HG2      THR  47   6.574   8.814   8.814
  337   3HG2  THR  47          2HG2      THR  47   6.615   9.922   9.922
  338    H    TYR  48           H        TYR  48   1.904   8.200   8.200
  339    HA   TYR  48           HA       TYR  48  -0.069   9.644   9.644
  340   1HB   TYR  48          1HB       TYR  48  -0.239   7.256   7.256
  341   2HB   TYR  48          2HB       TYR  48  -0.604   7.963   7.963
  342    HD1  TYR  48           HD2      TYR  48  -2.680   9.344   9.344
  343    HD2  TYR  48           HD1      TYR  48  -1.904   7.188   7.188
  344    HE1  TYR  48           HE2      TYR  48  -4.919   9.946   9.946
  345    HE2  TYR  48           HE1      TYR  48  -4.156   7.718   7.718
  346    HH   TYR  48           HH       TYR  48  -6.279   8.514   8.514
  347    HA   PRO  49           HA       PRO  49   0.082  13.247  13.247
  348   1HB   PRO  49          1HB       PRO  49  -2.449  14.364  14.364
  349   2HB   PRO  49          2HB       PRO  49  -1.138  14.417  14.417
  350   1HG   PRO  49          2HG       PRO  49  -3.401  12.408  12.408
  351   2HG   PRO  49          1HG       PRO  49  -2.882  13.351  13.351
  352   1HD   PRO  49          2HD       PRO  49  -2.034  10.834  10.834
  353   2HD   PRO  49          1HD       PRO  49  -0.853  12.075  12.075
  354    H    GLU  50           HN       GLU  50  -0.807  14.355  14.355
  355    HA   GLU  50           HA       GLU  50  -1.256  14.379  14.379
  356   1HB   GLU  50          2HB       GLU  50  -3.707  12.727  12.727
  357   2HB   GLU  50          1HB       GLU  50  -3.510  13.858  13.858
  358   1HG   GLU  50          1HG       GLU  50  -3.716  14.509  14.509
  359   2HG   GLU  50          2HG       GLU  50  -4.838  14.947  14.947
  360    H    PHE  51           H        PHE  51   0.746  12.773  12.773
  361    HA   PHE  51           HA       PHE  51   0.274  11.188  11.188
  362   1HB   PHE  51          2HB       PHE  51  -0.518   9.597   9.597
  363   2HB   PHE  51          1HB       PHE  51   1.120   9.612   9.612
  364    HD1  PHE  51           HD2      PHE  51  -0.927   8.919   8.919
  365    HD2  PHE  51           HD1      PHE  51   2.920   8.431   8.431
  366    HE1  PHE  51           HE2      PHE  51  -0.228   7.434   7.434
  367    HE2  PHE  51           HE1      PHE  51   3.607   6.909   6.909
  368    HZ   PHE  51           HZ       PHE  51   1.984   6.314   6.314
  369    H    LYS  52           HN       LYS  52   2.019  11.434  11.434
  370    HA   LYS  52           HA       LYS  52   4.522  12.466  12.466
  371   1HB   LYS  52          1HB       LYS  52   3.556  13.306  13.306
  372   2HB   LYS  52          2HB       LYS  52   3.766  11.710  11.710
  373   1HG   LYS  52          2HG       LYS  52   6.229  11.883  11.883
  374   2HG   LYS  52          1HG       LYS  52   6.006  13.466  13.466
  375   1HD   LYS  52          2HD       LYS  52   5.022  14.352  14.352
  376   2HD   LYS  52          1HD       LYS  52   5.226  12.761  12.761
  377   1HE   LYS  52          2HE       LYS  52   7.687  12.912  12.912
  378   2HE   LYS  52          1HE       LYS  52   7.486  14.503  14.503
  379   1HZ   LYS  52          3HZ       LYS  52   6.578  15.302  15.302
  380   2HZ   LYS  52          2HZ       LYS  52   6.765  13.825  13.825
  381   3HZ   LYS  52          1HZ       LYS  52   8.087  14.684  14.684
  382    H    TYR  53           H        TYR  53   5.228  10.730  10.730
  383    HA   TYR  53           HA       TYR  53   5.660   8.053   8.053
  384   1HB   TYR  53          2HB       TYR  53   7.008   9.431   9.431
  385   2HB   TYR  53          1HB       TYR  53   6.921   7.717   7.717
  386    HD1  TYR  53           HD1      TYR  53   4.952   6.351   6.351
  387    HD2  TYR  53           HD2      TYR  53   5.010  10.579  10.579
  388    HE1  TYR  53           HE1      TYR  53   2.870   6.116   6.116
  389    HE2  TYR  53           HE2      TYR  53   2.880  10.348  10.348
  390    HH   TYR  53           HH       TYR  53   1.133   8.947   8.947
  391    H    LYS  54           HN       LYS  54   8.077   7.312   7.312
  392    HA   LYS  54           HA       LYS  54   9.986   8.721   8.721
  393   1HB   LYS  54          2HB       LYS  54  10.219   5.859   5.859
  394   2HB   LYS  54          1HB       LYS  54  11.066   6.660   6.660
  395   1HG   LYS  54          1HG       LYS  54   9.064   6.721   6.721
  396   2HG   LYS  54          2HG       LYS  54   8.067   6.119   6.119
  397   1HD   LYS  54          2HD       LYS  54   8.471   4.275   4.275
  398   2HD   LYS  54          1HD       LYS  54   9.364   4.014   4.014
  399   1HE   LYS  54          2HE       LYS  54  11.466   4.739   4.739
  400   2HE   LYS  54          1HE       LYS  54  10.558   4.973   4.973
  401   1HZ   LYS  54          3HZ       LYS  54  10.007   2.630   2.630
  402   2HZ   LYS  54          2HZ       LYS  54  10.874   2.466   2.466
  403   3HZ   LYS  54          1HZ       LYS  54  11.641   2.855   2.855
  404    H    ASP  55           HN       ASP  55  12.281   7.925   7.925
  405    HA   ASP  55           HA       ASP  55  12.735   9.192   9.192
  406   1HB   ASP  55          2HB       ASP  55  14.320   9.437   9.437
  407   2HB   ASP  55          1HB       ASP  55  14.571   7.682   7.682
  408    H    SER  56           H        SER  56  12.481   5.773   5.773
  409    HA   SER  56           HA       SER  56  14.095   4.591   4.591
  410   1HB   SER  56          1HB       SER  56  12.658   2.592   2.592
  411   2HB   SER  56          2HB       SER  56  13.711   3.445   3.445
  412    HG   SER  56           HG       SER  56  11.528   3.196   3.196
  413    H    ILE  57           H        ILE  57  10.664   4.544   4.544
  414    HA   ILE  57           HA       ILE  57   9.853   3.477   3.477
  415    HB   ILE  57           HB       ILE  57   8.718   3.617   3.617
  416   1HG1  ILE  57          1HG1      ILE  57   6.357   3.711   3.711
  417   2HG1  ILE  57          2HG1      ILE  57   7.084   4.120   4.120
  418   1HG2  ILE  57          3HG2      ILE  57   8.840   6.025   6.025
  419   2HG2  ILE  57          2HG2      ILE  57   7.674   6.271   6.271
  420   3HG2  ILE  57          1HG2      ILE  57   7.193   5.404   5.404
  421   1HD1  ILE  57          3HD1      ILE  57   7.690   1.596   1.596
  422   2HD1  ILE  57          2HD1      ILE  57   6.532   1.701   1.701
  423   3HD1  ILE  57          1HD1      ILE  57   8.254   1.953   1.953
  424    H    VAL  58           H        VAL  58  10.293   6.895   6.895
  425    HA   VAL  58           HA       VAL  58   9.246   7.989   7.989
  426    HB   VAL  58           HB       VAL  58  11.144   9.041   9.041
  427   1HG1  VAL  58          2HG2      VAL  58  10.027  10.502  10.502
  428   2HG1  VAL  58          1HG2      VAL  58  10.771  11.292  11.292
  429   3HG1  VAL  58          3HG2      VAL  58  11.743  10.231  10.231
  430   1HG2  VAL  58          3HG1      VAL  58   8.673   8.686   8.686
  431   2HG2  VAL  58          2HG1      VAL  58   9.211  10.370  10.370
  432   3HG2  VAL  58          1HG1      VAL  58   8.289   9.836   9.836
  433    H    ALA  59           H        ALA  59  12.594   7.131   7.131
  434    HA   ALA  59           HA       ALA  59  13.922   7.844   7.844
  435   1HB   ALA  59          1HB       ALA  59  15.092   7.312   7.312
  436   2HB   ALA  59          3HB       ALA  59  14.601   5.609   5.609
  437   3HB   ALA  59          2HB       ALA  59  15.695   6.312   6.312
  438    H    LEU  60           H        LEU  60  12.305   4.770   4.770
  439    HA   LEU  60           HA       LEU  60  12.953   3.296   3.296
  440   1HB   LEU  60          1HB       LEU  60  11.710   2.526   2.526
  441   2HB   LEU  60          2HB       LEU  60  10.267   3.282   3.282
  442    HG   LEU  60           HG       LEU  60  10.485   1.817   1.817
  443   1HD1  LEU  60          2HD2      LEU  60  12.876   1.132   1.132
  444   2HD1  LEU  60          1HD2      LEU  60  12.452   0.258   0.258
  445   3HD1  LEU  60          3HD2      LEU  60  11.772  -0.241  -0.241
  446   1HD2  LEU  60          1HD1      LEU  60   8.909   1.325   1.325
  447   2HD2  LEU  60          2HD1      LEU  60   9.535  -0.161  -0.161
  448   3HD2  LEU  60          3HD1      LEU  60  10.195   0.399   0.399
  449    H    GLY  61           H        GLY  61  10.166   5.506   5.506
  450   1HA   GLY  61          1HA       GLY  61   9.038   5.419   5.419
  451   2HA   GLY  61          2HA       GLY  61   8.975   6.802   6.802
  452    H    ALA  62           H        ALA  62  11.442   7.713   7.713
  453    HA   ALA  62           HA       ALA  62  11.908   9.232   9.232
  454   1HB   ALA  62          2HB       ALA  62  12.693   9.789   9.789
  455   2HB   ALA  62          3HB       ALA  62  13.948   8.537   8.537
  456   3HB   ALA  62          1HB       ALA  62  13.970   9.942   9.942
  457    H    SER  63           H        SER  63  13.441   6.100   6.100
  458    HA   SER  63           HA       SER  63  15.356   6.211   6.211
  459   1HB   SER  63          2HB       SER  63  15.789   3.899   3.899
  460   2HB   SER  63          1HB       SER  63  15.595   4.750   4.750
  461    HG   SER  63           HG       SER  63  13.315   3.941   3.941
  462    H    GLY  64           H        GLY  64  11.972   5.884   5.884
  463   1HA   GLY  64          1HA       GLY  64  11.022   6.073   6.073
  464   2HA   GLY  64          2HA       GLY  64  12.181   4.912   4.912
  465    H    PHE  65           H        PHE  65  10.895   4.054   4.054
  466    HA   PHE  65           HA       PHE  65   9.568   1.765   1.765
  467   1HB   PHE  65          1HB       PHE  65  10.824   1.525   1.525
  468   2HB   PHE  65          2HB       PHE  65   9.756   2.729   2.729
  469    HD1  PHE  65           HD2      PHE  65   9.212  -0.428  -0.428
  470    HD2  PHE  65           HD1      PHE  65   8.189   1.855   1.855
  471    HE1  PHE  65           HE2      PHE  65   7.354  -1.977  -1.977
  472    HE2  PHE  65           HE1      PHE  65   6.427   0.237   0.237
  473    HZ   PHE  65           HZ       PHE  65   6.032  -1.714  -1.714
  474    H    ALA  66           H        ALA  66   7.407   1.387   1.387
  475    HA   ALA  66           HA       ALA  66   5.462   3.332   3.332
  476   1HB   ALA  66          2HB       ALA  66   5.518   2.352   2.352
  477   2HB   ALA  66          1HB       ALA  66   4.211   3.290   3.290
  478   3HB   ALA  66          3HB       ALA  66   5.815   4.022   4.022
  479    H    TRP  67           H        TRP  67   3.703   2.302   2.302
  480    HA   TRP  67           HA       TRP  67   3.939  -0.497  -0.497
  481   1HB   TRP  67          2HB       TRP  67   1.745   1.549   1.549
  482   2HB   TRP  67          1HB       TRP  67   1.516  -0.149  -0.149
  483    HD1  TRP  67           HD1      TRP  67   2.409   2.891   2.891
  484    HE1  TRP  67           HE1      TRP  67   3.668   2.447   2.447
  485    HE3  TRP  67           HE3      TRP  67   3.606  -2.046  -2.046
  486    HZ2  TRP  67           HZ2      TRP  67   5.064   0.301   0.301
  487    HZ3  TRP  67           HZ3      TRP  67   5.043  -3.208  -3.208
  488    HH2  TRP  67           HH2      TRP  67   5.894  -2.023  -2.023
  489    H    THR  68           H        THR  68   2.804  -2.194  -2.194
  490    HA   THR  68           HA       THR  68   0.922  -1.955  -1.955
  491    HB   THR  68           HB       THR  68   1.936  -3.892  -3.892
  492    HG1  THR  68           HG1      THR  68   4.251  -3.868  -3.868
  493   1HG2  THR  68          2HG2      THR  68   2.822  -1.690  -1.690
  494   2HG2  THR  68          3HG2      THR  68   4.137  -1.858  -1.858
  495   3HG2  THR  68          1HG2      THR  68   4.014  -3.001  -3.001
  496    H    GLU  69           HN       GLU  69  -0.349  -4.055  -4.055
  497    HA   GLU  69           HA       GLU  69  -1.356  -4.849  -4.849
  498   1HB   GLU  69          2HB       GLU  69  -2.357  -6.742  -6.742
  499   2HB   GLU  69          1HB       GLU  69  -2.596  -5.121  -5.121
  500   1HG   GLU  69          2HG       GLU  69  -0.954  -5.477  -5.477
  501   2HG   GLU  69          1HG       GLU  69  -0.535  -7.057  -7.057
  502    H    GLU  70           HN       GLU  70   1.146  -6.236  -6.236
  503    HA   GLU  70           HA       GLU  70   1.512  -8.639  -8.639
  504   1HB   GLU  70          1HB       GLU  70   3.516  -9.037  -9.037
  505   2HB   GLU  70          2HB       GLU  70   2.070  -8.702  -8.702
  506   1HG   GLU  70          2HG       GLU  70   2.856  -6.411  -6.411
  507   2HG   GLU  70          1HG       GLU  70   4.334  -6.727  -6.727
  508    H    ASP  71           HN       ASP  71   3.323  -5.539  -5.539
  509    HA   ASP  71           HA       ASP  71   5.246  -6.268  -6.268
  510   1HB   ASP  71          1HB       ASP  71   4.248  -3.561  -3.561
  511   2HB   ASP  71          2HB       ASP  71   5.512  -3.817  -3.817
  512    H    ILE  72           H        ILE  72   2.069  -4.506  -4.506
  513    HA   ILE  72           HA       ILE  72   2.205  -4.147  -4.147
  514    HB   ILE  72           HB       ILE  72  -0.183  -4.676  -4.676
  515   1HG1  ILE  72          1HG1      ILE  72   0.864  -2.050  -2.050
  516   2HG1  ILE  72          2HG1      ILE  72   1.345  -2.623  -2.623
  517   1HG2  ILE  72          1HG2      ILE  72  -0.073  -3.566  -3.566
  518   2HG2  ILE  72          3HG2      ILE  72  -1.519  -3.587  -3.587
  519   3HG2  ILE  72          2HG2      ILE  72  -0.814  -5.102  -5.102
  520   1HD1  ILE  72          3HD1      ILE  72  -1.050  -2.802  -2.802
  521   2HD1  ILE  72          2HD1      ILE  72  -1.506  -1.964  -1.964
  522   3HD1  ILE  72          1HD1      ILE  72  -0.475  -1.156  -1.156
  523    H    ALA  73           H        ALA  73   0.729  -6.856  -6.856
  524    HA   ALA  73           HA       ALA  73  -0.110  -8.487  -8.487
  525   1HB   ALA  73          3HB       ALA  73  -0.555  -8.920  -8.920
  526   2HB   ALA  73          2HB       ALA  73   1.153  -9.311  -9.311
  527   3HB   ALA  73          1HB       ALA  73   0.158 -10.347 -10.347
  528    H    THR  74           H        THR  74   3.143  -8.355  -8.355
  529    HA   THR  74           HA       THR  74   4.352 -10.286 -10.286
  530    HB   THR  74           HB       THR  74   5.672  -7.944  -7.944
  531    HG1  THR  74           HG1      THR  74   4.453  -9.143  -9.143
  532   1HG2  THR  74          2HG2      THR  74   6.741 -10.651 -10.651
  533   2HG2  THR  74          3HG2      THR  74   7.585  -9.520  -9.520
  534   3HG2  THR  74          1HG2      THR  74   7.247  -9.053  -9.053
  535    H    TYR  75           H        TYR  75   4.748  -6.716  -6.716
  536    HA   TYR  75           HA       TYR  75   6.127  -6.393  -6.393
  537   1HB   TYR  75          1HB       TYR  75   5.628  -4.559  -4.559
  538   2HB   TYR  75          2HB       TYR  75   3.900  -4.769  -4.769
  539    HD1  TYR  75           HD1      TYR  75   6.964  -4.076  -4.076
  540    HD2  TYR  75           HD2      TYR  75   2.772  -3.354  -3.354
  541    HE1  TYR  75           HE1      TYR  75   7.039  -2.239  -2.239
  542    HE2  TYR  75           HE2      TYR  75   2.832  -1.606  -1.606
  543    HH   TYR  75           HH       TYR  75   4.108  -0.323  -0.323
  544    H    VAL  76           H        VAL  76   2.574  -6.673  -6.673
  545    HA   VAL  76           HA       VAL  76   1.927  -6.175  -6.175
  546    HB   VAL  76           HB       VAL  76   0.597  -7.673  -7.673
  547   1HG1  VAL  76          2HG2      VAL  76  -0.535  -7.231  -7.231
  548   2HG1  VAL  76          1HG2      VAL  76  -1.524  -7.557  -7.557
  549   3HG1  VAL  76          3HG2      VAL  76  -0.351  -8.761  -8.761
  550   1HG2  VAL  76          1HG1      VAL  76   0.859  -5.130  -5.130
  551   2HG2  VAL  76          2HG1      VAL  76  -0.818  -5.695  -5.695
  552   3HG2  VAL  76          3HG1      VAL  76  -0.108  -5.083  -5.083
  553    H    LYS  77           HN       LYS  77   3.402  -9.142  -9.142
  554    HA   LYS  77           HA       LYS  77   3.123 -10.281 -10.281
  555   1HB   LYS  77          2HB       LYS  77   3.201 -12.506 -12.506
  556   2HB   LYS  77          1HB       LYS  77   1.790 -11.581 -11.581
  557   1HG   LYS  77          1HG       LYS  77   2.515 -12.873 -12.873
  558   2HG   LYS  77          2HG       LYS  77   2.799 -11.176 -11.176
  559   1HD   LYS  77          2HD       LYS  77   5.176 -11.428 -11.428
  560   2HD   LYS  77          1HD       LYS  77   4.968 -13.027 -13.027
  561   1HE   LYS  77          2HE       LYS  77   4.249 -13.958 -13.958
  562   2HE   LYS  77          1HE       LYS  77   4.283 -12.346 -12.346
  563   1HZ   LYS  77          3HZ       LYS  77   6.641 -12.269 -12.269
  564   2HZ   LYS  77          1HZ       LYS  77   6.594 -13.807 -13.807
  565   3HZ   LYS  77          2HZ       LYS  77   6.256 -13.523 -13.523
  566    H    ASP  78           HN       ASP  78   5.228  -8.489  -8.489
  567    HA   ASP  78           HA       ASP  78   7.444  -9.613  -9.613
  568   1HB   ASP  78          2HB       ASP  78   8.957  -9.610  -9.610
  569   2HB   ASP  78          1HB       ASP  78   7.880 -11.013 -11.013
  570    HA   PRO  79           HA       PRO  79   7.438  -5.022  -5.022
  571   1HB   PRO  79          2HB       PRO  79   7.036  -4.163  -4.163
  572   2HB   PRO  79          1HB       PRO  79   5.676  -4.533  -4.533
  573   1HG   PRO  79          2HG       PRO  79   6.947  -6.335  -6.335
  574   2HG   PRO  79          1HG       PRO  79   5.233  -5.903  -5.903
  575   1HD   PRO  79          2HD       PRO  79   6.330  -8.220  -8.220
  576   2HD   PRO  79          1HD       PRO  79   5.078  -7.310  -7.310
  577    H    GLY  80           H        GLY  80   9.113  -3.787  -3.787
  578   1HA   GLY  80          1HA       GLY  80  11.258  -3.248  -3.248
  579   2HA   GLY  80          2HA       GLY  80  11.230  -4.718  -4.718
  580    H    ALA  81           H        ALA  81  11.107  -6.793  -6.793
  581    HA   ALA  81           HA       ALA  81  13.482  -7.172  -7.172
  582   1HB   ALA  81          3HB       ALA  81  10.871  -8.718  -8.718
  583   2HB   ALA  81          1HB       ALA  81  12.439  -9.289  -9.289
  584   3HB   ALA  81          2HB       ALA  81  12.208  -9.011  -9.011
  585    H    PHE  82           H        PHE  82  10.166  -6.654  -6.654
  586    HA   PHE  82           HA       PHE  82  10.751  -6.618  -6.618
  587   1HB   PHE  82          2HB       PHE  82   8.467  -6.271  -6.271
  588   2HB   PHE  82          1HB       PHE  82   8.980  -4.665  -4.665
  589    HD1  PHE  82           HD1      PHE  82   8.664  -6.883  -6.883
  590    HD2  PHE  82           HD2      PHE  82   8.378  -2.884  -2.884
  591    HE1  PHE  82           HE1      PHE  82   8.079  -6.019  -6.019
  592    HE2  PHE  82           HE2      PHE  82   7.908  -2.018  -2.018
  593    HZ   PHE  82           HZ       PHE  82   7.806  -3.575  -3.575
  594    H    LEU  83           H        LEU  83  11.154  -3.861  -3.861
  595    HA   LEU  83           HA       LEU  83  11.838  -1.881  -1.881
  596   1HB   LEU  83          2HB       LEU  83  12.617  -1.931  -1.931
  597   2HB   LEU  83          1HB       LEU  83  12.277  -0.586  -0.586
  598    HG   LEU  83           HG       LEU  83  10.193  -2.511  -2.511
  599   1HD1  LEU  83          2HD1      LEU  83  10.897   0.373   0.373
  600   2HD1  LEU  83          3HD1      LEU  83   9.513  -0.555  -0.555
  601   3HD1  LEU  83          1HD1      LEU  83  11.156  -1.059  -1.059
  602   1HD2  LEU  83          2HD2      LEU  83   9.727  -1.518  -1.518
  603   2HD2  LEU  83          1HD2      LEU  83   8.612  -0.958  -0.958
  604   3HD2  LEU  83          3HD2      LEU  83   9.953   0.089   0.089
  605    H    LYS  84           HN       LYS  84  13.580  -3.719  -3.719
  606    HA   LYS  84           HA       LYS  84  16.199  -2.898  -2.898
  607   1HB   LYS  84          2HB       LYS  84  15.148  -5.631  -5.631
  608   2HB   LYS  84          1HB       LYS  84  16.856  -5.175  -5.175
  609   1HG   LYS  84          1HG       LYS  84  16.433  -3.430  -3.430
  610   2HG   LYS  84          2HG       LYS  84  14.680  -3.561  -3.561
  611   1HD   LYS  84          2HD       LYS  84  14.682  -5.829  -5.829
  612   2HD   LYS  84          1HD       LYS  84  16.448  -5.774  -5.774
  613   1HE   LYS  84          2HE       LYS  84  16.265  -3.890  -3.890
  614   2HE   LYS  84          1HE       LYS  84  14.502  -3.876  -3.876
  615   1HZ   LYS  84          2HZ       LYS  84  14.450  -6.084  -6.084
  616   2HZ   LYS  84          3HZ       LYS  84  16.087  -6.093  -6.093
  617   3HZ   LYS  84          1HZ       LYS  84  15.163  -5.040  -5.040
  618    H    GLU  85           HN       GLU  85  14.471  -5.603  -5.603
  619    HA   GLU  85           HA       GLU  85  16.574  -6.371  -6.371
  620   1HB   GLU  85          1HB       GLU  85  14.676  -7.811  -7.811
  621   2HB   GLU  85          2HB       GLU  85  13.539  -6.680  -6.680
  622   1HG   GLU  85          2HG       GLU  85  14.618  -7.061  -7.061
  623   2HG   GLU  85          1HG       GLU  85  15.748  -8.187  -8.187
  624    H    LYS  86           HN       LYS  86  13.552  -4.568  -4.568
  625    HA   LYS  86           HA       LYS  86  14.296  -4.000  -4.000
  626   1HB   LYS  86          1HB       LYS  86  12.420  -2.525  -2.525
  627   2HB   LYS  86          2HB       LYS  86  12.482  -2.263  -2.263
  628   1HG   LYS  86          1HG       LYS  86  11.808  -4.926  -4.926
  629   2HG   LYS  86          2HG       LYS  86  10.632  -3.768  -3.768
  630   1HD   LYS  86          2HD       LYS  86  12.655  -5.279  -5.279
  631   2HD   LYS  86          1HD       LYS  86  10.965  -5.704  -5.704
  632   1HE   LYS  86          2HE       LYS  86  11.957  -3.131  -3.131
  633   2HE   LYS  86          1HE       LYS  86  11.318  -4.555  -4.555
  634   1HZ   LYS  86          3HZ       LYS  86   9.232  -4.225  -4.225
  635   2HZ   LYS  86          1HZ       LYS  86   9.819  -2.880  -2.880
  636   3HZ   LYS  86          2HZ       LYS  86   9.653  -2.902  -2.902
  637    H    LEU  87           H        LEU  87  14.967  -2.052  -2.052
  638    HA   LEU  87           HA       LEU  87  16.236   0.038   0.038
  639   1HB   LEU  87          2HB       LEU  87  14.669   0.496   0.496
  640   2HB   LEU  87          1HB       LEU  87  15.867  -0.190  -0.190
  641    HG   LEU  87           HG       LEU  87  17.409   1.642   1.642
  642   1HD1  LEU  87          3HD2      LEU  87  15.281   2.588   2.588
  643   2HD1  LEU  87          2HD2      LEU  87  16.621   3.594   3.594
  644   3HD1  LEU  87          1HD2      LEU  87  16.966   2.152   2.152
  645   1HD2  LEU  87          1HD1      LEU  87  15.685   1.921   1.921
  646   2HD2  LEU  87          2HD1      LEU  87  16.110   3.463   3.463
  647   3HD2  LEU  87          3HD1      LEU  87  14.591   2.652   2.652
  648    H    ASP  88           HN       ASP  88  17.292  -2.946  -2.946
  649    HA   ASP  88           HA       ASP  88  19.167  -3.868  -3.868
  650   1HB   ASP  88          2HB       ASP  88  19.662  -3.526  -3.526
  651   2HB   ASP  88          1HB       ASP  88  20.143  -1.858  -1.858
  652    H    ASP  89           HN       ASP  89  18.418  -2.646  -2.646
  653    HA   ASP  89           HA       ASP  89  20.687  -1.105  -1.105
  654   1HB   ASP  89          2HB       ASP  89  19.255   0.609   0.609
  655   2HB   ASP  89          1HB       ASP  89  17.837  -0.077  -0.077
  656    H    LYS  90           HN       LYS  90  20.521  -0.860  -0.860
  657    HA   LYS  90           HA       LYS  90  19.441  -3.271  -3.271
  658   1HB   LYS  90          1HB       LYS  90  21.916  -2.054  -2.054
  659   2HB   LYS  90          2HB       LYS  90  21.216  -1.257  -1.257
  660   1HG   LYS  90          2HG       LYS  90  21.416  -4.284  -4.284
  661   2HG   LYS  90          1HG       LYS  90  22.465  -3.282  -3.282
  662   1HD   LYS  90          1HD       LYS  90  20.469  -2.595  -2.595
  663   2HD   LYS  90          2HD       LYS  90  19.460  -3.701  -3.701
  664   1HE   LYS  90          2HE       LYS  90  20.880  -5.614  -5.614
  665   2HE   LYS  90          1HE       LYS  90  21.879  -4.515  -4.515
  666   1HZ   LYS  90          3HZ       LYS  90  19.014  -5.019  -5.019
  667   2HZ   LYS  90          1HZ       LYS  90  20.242  -5.617  -5.617
  668   3HZ   LYS  90          2HZ       LYS  90  19.945  -3.998  -3.998
  669    H    LYS  91           HN       LYS  91  19.769   0.235   0.235
  670    HA   LYS  91           HA       LYS  91  17.908   0.464   0.464
  671   1HB   LYS  91          1HB       LYS  91  18.400   2.821   2.821
  672   2HB   LYS  91          2HB       LYS  91  19.867   1.838   1.838
  673   1HG   LYS  91          1HG       LYS  91  20.276   2.360   2.360
  674   2HG   LYS  91          2HG       LYS  91  18.697   3.133   3.133
  675   1HD   LYS  91          2HD       LYS  91  20.435   4.816   4.816
  676   2HD   LYS  91          1HD       LYS  91  19.322   4.911   4.911
  677   1HE   LYS  91          1HE       LYS  91  21.675   5.234   5.234
  678   2HE   LYS  91          2HE       LYS  91  20.966   3.819   3.819
  679   1HZ   LYS  91          1HZ       LYS  91  22.702   3.770   3.770
  680   2HZ   LYS  91          2HZ       LYS  91  23.162   3.394   3.394
  681   3HZ   LYS  91          3HZ       LYS  91  22.064   2.450   2.450
  682    H    ALA  92           H        ALA  92  16.593  -0.718  -0.718
  683    HA   ALA  92           HA       ALA  92  14.671   1.373   1.373
  684   1HB   ALA  92          2HB       ALA  92  15.954   0.233   0.233
  685   2HB   ALA  92          1HB       ALA  92  15.318  -1.324  -1.324
  686   3HB   ALA  92          3HB       ALA  92  14.225  -0.076  -0.076
  687    H    LYS  93           HN       LYS  93  13.375   1.332   1.332
  688    HA   LYS  93           HA       LYS  93  11.945  -1.229  -1.229
  689   1HB   LYS  93          1HB       LYS  93  12.804   0.758   0.758
  690   2HB   LYS  93          2HB       LYS  93  12.169  -0.885  -0.885
  691   1HG   LYS  93          1HG       LYS  93  14.287  -1.705  -1.705
  692   2HG   LYS  93          2HG       LYS  93  14.893  -0.038  -0.038
  693   1HD   LYS  93          2HD       LYS  93  14.472  -0.195  -0.195
  694   2HD   LYS  93          1HD       LYS  93  14.277  -1.938  -1.938
  695   1HE   LYS  93          2HE       LYS  93  16.740  -0.225  -0.225
  696   2HE   LYS  93          1HE       LYS  93  16.579  -1.451  -1.451
  697   1HZ   LYS  93          2HZ       LYS  93  16.308  -3.085  -3.085
  698   2HZ   LYS  93          3HZ       LYS  93  16.603  -1.923  -1.923
  699   3HZ   LYS  93          1HZ       LYS  93  17.768  -2.322  -2.322
  700    H    THR  94           H        THR  94   9.691  -0.950  -0.950
  701    HA   THR  94           HA       THR  94   8.604   1.744   1.744
  702    HB   THR  94           HB       THR  94   7.686   0.215   0.215
  703    HG1  THR  94           HG1      THR  94   5.605  -0.001  -0.001
  704   1HG2  THR  94          1HG2      THR  94   7.402  -1.800  -1.800
  705   2HG2  THR  94          3HG2      THR  94   6.718  -1.996  -1.996
  706   3HG2  THR  94          2HG2      THR  94   8.470  -1.953  -1.953
  707    H    GLY  95           H        GLY  95   6.927   2.496   2.496
  708   1HA   GLY  95          1HA       GLY  95   7.219   1.916   1.916
  709   2HA   GLY  95          2HA       GLY  95   5.925   2.857   2.857
  710    H    MET  96           H        MET  96   5.483   0.311   0.311
  711    HA   MET  96           HA       MET  96   3.305  -0.658  -0.658
  712   1HB   MET  96          2HB       MET  96   3.579  -0.567  -0.567
  713   2HB   MET  96          1HB       MET  96   4.577  -2.006  -2.006
  714   1HG   MET  96          1HG       MET  96   2.857  -3.377  -3.377
  715   2HG   MET  96          2HG       MET  96   1.907  -2.034  -2.034
  716   1HE   MET  96          1HE       MET  96   3.310  -2.690  -2.690
  717   2HE   MET  96          3HE       MET  96   2.718  -4.271  -4.271
  718   3HE   MET  96          2HE       MET  96   1.841  -3.402  -3.402
  719    H    ALA  97           H        ALA  97   4.291  -1.280  -1.280
  720    HA   ALA  97           HA       ALA  97   5.691  -3.826  -3.826
  721   1HB   ALA  97          2HB       ALA  97   5.917  -2.065  -2.065
  722   2HB   ALA  97          1HB       ALA  97   4.188  -2.197  -2.197
  723   3HB   ALA  97          3HB       ALA  97   5.281  -3.562  -3.562
  724    H    PHE  98           H        PHE  98   3.876  -4.572  -4.572
  725    HA   PHE  98           HA       PHE  98   2.067  -6.413  -6.413
  726   1HB   PHE  98          2HB       PHE  98   0.565  -4.582  -4.582
  727   2HB   PHE  98          1HB       PHE  98   1.174  -3.897  -3.897
  728    HD1  PHE  98           HD2      PHE  98   0.567  -4.708  -4.708
  729    HD2  PHE  98           HD1      PHE  98  -1.102  -6.499  -6.499
  730    HE1  PHE  98           HE2      PHE  98  -0.895  -6.078  -6.078
  731    HE2  PHE  98           HE1      PHE  98  -2.665  -7.801  -7.801
  732    HZ   PHE  98           HZ       PHE  98  -2.545  -7.634  -7.634
  733    H    LYS  99           HN       LYS  99   1.308  -7.964  -7.964
  734    HA   LYS  99           HA       LYS  99   2.268  -7.796  -7.796
  735   1HB   LYS  99          2HB       LYS  99   2.967 -10.277 -10.277
  736   2HB   LYS  99          1HB       LYS  99   3.465  -9.846  -9.846
  737   1HG   LYS  99          2HG       LYS  99   4.796  -7.951  -7.951
  738   2HG   LYS  99          1HG       LYS  99   4.461  -8.615  -8.615
  739   1HD   LYS  99          1HD       LYS  99   5.850 -10.122 -10.122
  740   2HD   LYS  99          2HD       LYS  99   6.673  -9.317  -9.317
  741   1HE   LYS  99          2HE       LYS  99   5.461 -10.827 -10.827
  742   2HE   LYS  99          1HE       LYS  99   4.738 -11.674 -11.674
  743   1HZ   LYS  99          3HZ       LYS  99   6.925 -12.238 -12.238
  744   2HZ   LYS  99          2HZ       LYS  99   7.608 -11.463 -11.463
  745   3HZ   LYS  99          1HZ       LYS  99   6.662 -12.790 -12.790
  746    H    LEU 100           H        LEU 100   1.322  -9.781  -9.781
  747    HA   LEU 100           HA       LEU 100  -1.298 -10.583 -10.583
  748   1HB   LEU 100          2HB       LEU 100  -1.363  -9.230  -9.230
  749   2HB   LEU 100          1HB       LEU 100  -0.260 -10.403 -10.403
  750    HG   LEU 100           HG       LEU 100  -1.991 -12.143 -12.143
  751   1HD1  LEU 100          3HD1      LEU 100  -3.804 -10.003 -10.003
  752   2HD1  LEU 100          1HD1      LEU 100  -4.298 -11.612 -11.612
  753   3HD1  LEU 100          2HD1      LEU 100  -3.265 -11.476 -11.476
  754   1HD2  LEU 100          3HD2      LEU 100  -2.933  -9.569  -9.569
  755   2HD2  LEU 100          1HD2      LEU 100  -1.830 -10.781 -10.781
  756   3HD2  LEU 100          2HD2      LEU 100  -3.530 -11.201 -11.201
  757    H    ALA 101           H        ALA 101  -1.735 -12.826 -12.826
  758    HA   ALA 101           HA       ALA 101   0.712 -14.551 -14.551
  759   1HB   ALA 101          2HB       ALA 101  -0.318 -14.416 -14.416
  760   2HB   ALA 101          3HB       ALA 101  -1.882 -14.921 -14.921
  761   3HB   ALA 101          1HB       ALA 101  -0.486 -16.042 -16.042
  762    H    LYS 102           HN       LYS 102  -0.510 -13.551 -13.551
  763    HA   LYS 102           HA       LYS 102  -1.344 -15.967 -15.967
  764   1HB   LYS 102          1HB       LYS 102  -3.076 -13.453 -13.453
  765   2HB   LYS 102          2HB       LYS 102  -3.268 -14.885 -14.885
  766   1HG   LYS 102          2HG       LYS 102  -3.692 -16.239 -16.239
  767   2HG   LYS 102          1HG       LYS 102  -3.679 -14.733 -14.733
  768   1HD   LYS 102          2HD       LYS 102  -5.497 -13.819 -13.819
  769   2HD   LYS 102          1HD       LYS 102  -5.577 -15.363 -15.363
  770   1HE   LYS 102          1HE       LYS 102  -6.092 -14.940 -14.940
  771   2HE   LYS 102          2HE       LYS 102  -7.331 -15.153 -15.153
  772   1HZ   LYS 102          1HZ       LYS 102  -6.425 -17.329 -17.329
  773   2HZ   LYS 102          3HZ       LYS 102  -5.297 -17.135 -17.135
  774   3HZ   LYS 102          2HZ       LYS 102  -6.897 -17.184 -17.184
  775    H    GLY 103           H        GLY 103  -1.362 -15.357 -15.357
  776   1HA   GLY 103          1HA       GLY 103   1.044 -13.949 -13.949
  777   2HA   GLY 103          2HA       GLY 103  -0.169 -14.532 -14.532
  778    H    GLY 104           H        GLY 104  -2.000 -12.639 -12.639
  779   1HA   GLY 104          1HA       GLY 104  -2.924 -10.568 -10.568
  780   2HA   GLY 104          2HA       GLY 104  -1.309  -9.995  -9.995
  781    H    GLU 105           HN       GLU 105  -2.576 -12.382 -12.382
  782    HA   GLU 105           HA       GLU 105  -2.697 -10.623 -10.623
  783   1HB   GLU 105          1HB       GLU 105  -3.565 -12.525 -12.525
  784   2HB   GLU 105          2HB       GLU 105  -2.233 -13.028 -13.028
  785   1HG   GLU 105          2HG       GLU 105  -5.207 -13.500 -13.500
  786   2HG   GLU 105          1HG       GLU 105  -4.036 -14.690 -14.690
  787    H    ASP 106           HN       ASP 106  -5.174 -12.059 -12.059
  788    HA   ASP 106           HA       ASP 106  -7.504 -11.005 -11.005
  789   1HB   ASP 106          1HB       ASP 106  -8.534 -11.488 -11.488
  790   2HB   ASP 106          2HB       ASP 106  -7.445 -12.798 -12.798
  791    H    VAL 107           H        VAL 107  -5.565  -9.690  -9.690
  792    HA   VAL 107           HA       VAL 107  -6.961  -7.244  -7.244
  793    HB   VAL 107           HB       VAL 107  -4.106  -8.115  -8.115
  794   1HG1  VAL 107          3HG1      VAL 107  -5.474  -5.523  -5.523
  795   2HG1  VAL 107          1HG1      VAL 107  -3.963  -6.186  -6.186
  796   3HG1  VAL 107          2HG1      VAL 107  -4.017  -5.681  -5.681
  797   1HG2  VAL 107          2HG2      VAL 107  -5.939  -9.237  -9.237
  798   2HG2  VAL 107          1HG2      VAL 107  -4.950  -8.204  -8.204
  799   3HG2  VAL 107          3HG2      VAL 107  -6.544  -7.645  -7.645
  800    H    ALA 108           H        ALA 108  -4.086  -7.997  -7.997
  801    HA   ALA 108           HA       ALA 108  -3.733  -5.382  -5.382
  802   1HB   ALA 108          2HB       ALA 108  -3.152  -8.085  -8.085
  803   2HB   ALA 108          1HB       ALA 108  -2.555  -6.515  -6.515
  804   3HB   ALA 108          3HB       ALA 108  -2.061  -7.128  -7.128
  805    H    ALA 109           H        ALA 109  -5.744  -8.102  -8.102
  806    HA   ALA 109           HA       ALA 109  -6.761  -6.719  -6.719
  807   1HB   ALA 109          1HB       ALA 109  -6.942  -9.134  -9.134
  808   2HB   ALA 109          2HB       ALA 109  -8.076  -8.913  -8.913
  809   3HB   ALA 109          3HB       ALA 109  -8.535  -8.409  -8.409
  810    H    TYR 110           H        TYR 110  -7.968  -6.912  -6.912
  811    HA   TYR 110           HA       TYR 110 -10.314  -5.365  -5.365
  812   1HB   TYR 110          1HB       TYR 110 -10.030  -6.546  -6.546
  813   2HB   TYR 110          2HB       TYR 110  -8.507  -5.755  -5.755
  814    HD1  TYR 110           HD2      TYR 110 -12.087  -4.802  -4.802
  815    HD2  TYR 110           HD1      TYR 110  -8.507  -4.011  -4.011
  816    HE1  TYR 110           HE2      TYR 110 -13.244  -2.962  -2.962
  817    HE2  TYR 110           HE1      TYR 110  -9.662  -2.170  -2.170
  818    HH   TYR 110           HH       TYR 110 -11.642  -1.065  -1.065
  819    H    LEU 111           H        LEU 111  -6.968  -4.250  -4.250
  820    HA   LEU 111           HA       LEU 111  -7.625  -1.527  -1.527
  821   1HB   LEU 111          2HB       LEU 111  -5.084  -3.133  -3.133
  822   2HB   LEU 111          1HB       LEU 111  -5.079  -1.382  -1.382
  823    HG   LEU 111           HG       LEU 111  -6.336  -3.059  -3.059
  824   1HD1  LEU 111          1HD1      LEU 111  -3.957  -3.674  -3.674
  825   2HD1  LEU 111          2HD1      LEU 111  -3.504  -1.962  -1.962
  826   3HD1  LEU 111          3HD1      LEU 111  -4.303  -2.823  -2.823
  827   1HD2  LEU 111          3HD2      LEU 111  -5.374  -0.167  -0.167
  828   2HD2  LEU 111          2HD2      LEU 111  -7.049  -0.711  -0.711
  829   3HD2  LEU 111          1HD2      LEU 111  -5.866  -0.979  -0.979
  830    H    ALA 112           H        ALA 112  -6.362  -3.544  -3.544
  831    HA   ALA 112           HA       ALA 112  -6.257  -1.517  -1.517
  832   1HB   ALA 112          3HB       ALA 112  -5.424  -3.819  -3.819
  833   2HB   ALA 112          1HB       ALA 112  -7.095  -4.419  -4.419
  834   3HB   ALA 112          2HB       ALA 112  -6.510  -3.302  -3.302
  835    H    SER 113           H        SER 113  -9.079  -3.496  -3.496
  836    HA   SER 113           HA       SER 113 -10.956  -2.322  -2.322
  837   1HB   SER 113          1HB       SER 113 -11.573  -3.408  -3.408
  838   2HB   SER 113          2HB       SER 113 -12.661  -3.257  -3.257
  839    HG   SER 113           HG       SER 113 -10.341  -4.918  -4.918
  840    H    VAL 114           H        VAL 114  -9.787  -1.301  -1.301
  841    HA   VAL 114           HA       VAL 114 -11.682   0.846   0.846
  842    HB   VAL 114           HB       VAL 114  -8.997   0.291   0.291
  843   1HG1  VAL 114          1HG1      VAL 114 -11.059   2.387   2.387
  844   2HG1  VAL 114          2HG1      VAL 114  -9.627   1.934   1.934
  845   3HG1  VAL 114          3HG1      VAL 114  -9.421   2.707   2.707
  846   1HG2  VAL 114          3HG2      VAL 114 -10.898  -1.310  -1.310
  847   2HG2  VAL 114          1HG2      VAL 114 -10.353  -0.379  -0.379
  848   3HG2  VAL 114          2HG2      VAL 114 -11.848   0.072   0.072
  849    H    VAL 115           H        VAL 115  -8.514   0.595   0.595
  850    HA   VAL 115           HA       VAL 115  -8.143   3.427   3.427
  851    HB   VAL 115           HB       VAL 115  -6.842   1.071   1.071
  852   1HG1  VAL 115          1HG1      VAL 115  -6.103   4.027   4.027
  853   2HG1  VAL 115          3HG1      VAL 115  -5.051   2.726   2.726
  854   3HG1  VAL 115          2HG1      VAL 115  -6.566   3.074   3.074
  855   1HG2  VAL 115          3HG2      VAL 115  -6.500   2.241   2.241
  856   2HG2  VAL 115          2HG2      VAL 115  -5.821   0.763   0.763
  857   3HG2  VAL 115          1HG2      VAL 115  -5.014   2.307   2.307
  858    H    LYS 116           HN       LYS 116  -9.944   4.288   4.288
  859    HA   LYS 116           HA       LYS 116 -10.190   4.275   4.275
  860   1HB   LYS 116          1HB       LYS 116 -12.610   3.853   3.853
  861   2HB   LYS 116          2HB       LYS 116 -11.742   2.452   2.452
  862   1HG   LYS 116          1HG       LYS 116 -12.195   3.397   3.397
  863   2HG   LYS 116          2HG       LYS 116 -13.260   4.585   4.585
  864   1HD   LYS 116          1HD       LYS 116 -14.728   2.846   2.846
  865   2HD   LYS 116          2HD       LYS 116 -13.595   1.566   1.566
  866   1HE   LYS 116          1HE       LYS 116 -14.930   3.487   3.487
  867   2HE   LYS 116          2HE       LYS 116 -15.519   1.853   1.853
  868   1HZ   LYS 116          1HZ       LYS 116 -13.359   1.024   1.024
  869   2HZ   LYS 116          3HZ       LYS 116 -12.927   2.538   2.538
  870   3HZ   LYS 116          2HZ       LYS 116 -14.192   1.780   1.780
  871    HHA  HEC 117           HHA      HEM 117   2.664   2.462   2.462
  872    HHB  HEC 117           HHB      HEM 117  -1.145  -2.097  -2.097
  873    HHC  HEC 117           HHC      HEM 117  -2.757  -3.746  -3.746
  874    HHD  HEC 117           HHD      HEM 117   1.045   0.851   0.851
  875   1HMA  HEC 117          1HMA      HEM 117  -0.385  -0.676  -0.676
  876   2HMA  HEC 117          2HMA      HEM 117   1.212  -0.014  -0.014
  877   3HMA  HEC 117          3HMA      HEM 117   1.074  -1.684  -1.684
  878   1HAA  HEC 117          1HAA      HEM 117   3.230   2.123   2.123
  879   2HAA  HEC 117          2HAA      HEM 117   2.890   1.172   1.172
  880   1HBA  HEC 117          1HBA      HEM 117   0.998   3.312   3.312
  881   2HBA  HEC 117          2HBA      HEM 117   0.894   2.460   2.460
  882   1HMB  HEC 117          1HMB      HEM 117  -2.542  -4.461  -4.461
  883   2HMB  HEC 117          2HMB      HEM 117  -4.174  -4.215  -4.215
  884   3HMB  HEC 117          3HMB      HEM 117  -3.341  -2.875  -2.875
  885    HAB  HEC 117           HAB      HEM 117  -3.701  -5.118  -5.118
  886   1HBB  HEC 117          1HBB      HEM 117  -2.452  -6.582  -6.582
  887   2HBB  HEC 117          2HBB      HEM 117  -3.684  -6.214  -6.214
  888   3HBB  HEC 117          3HBB      HEM 117  -4.141  -7.045  -7.045
  889   1HMC  HEC 117          1HMC      HEM 117  -2.953  -2.556  -2.556
  890   2HMC  HEC 117          2HMC      HEM 117  -2.478  -3.911  -3.911
  891   3HMC  HEC 117          3HMC      HEM 117  -3.773  -2.801  -2.801
  892    HAC  HEC 117           HAC      HEM 117  -0.428   0.464   0.464
  893   1HBC  HEC 117          1HBC      HEM 117  -1.237  -2.235  -2.235
  894   2HBC  HEC 117          2HBC      HEM 117   0.428  -1.687  -1.687
  895   3HBC  HEC 117          3HBC      HEM 117  -0.617  -0.833  -0.833
  896   1HMD  HEC 117          1HMD      HEM 117   1.929   3.449   3.449
  897   2HMD  HEC 117          2HMD      HEM 117   2.988   2.053   2.053
  898   3HMD  HEC 117          3HMD      HEM 117   3.600   3.460   3.460
  899   1HAD  HEC 117          1HAD      HEM 117   3.106   4.241   4.241
  900   2HAD  HEC 117          2HAD      HEM 117   3.490   4.467   4.467
  901   1HBD  HEC 117          1HBD      HEM 117   4.975   2.746   2.746
  902   2HBD  HEC 117          2HBD      HEM 117   5.092   2.478   2.478

  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -6.329 -13.019 -13.019
    2   2H    GLY   1          2H        GLY   1  -5.437 -13.406 -13.406
    3   1HA   GLY   1          1HA       GLY   1  -6.375 -11.121 -11.121
    4   2HA   GLY   1          2HA       GLY   1  -6.907 -12.218 -12.218
    5    H    ASP   2           HN       ASP   2  -8.260 -13.111 -13.111
    6    HA   ASP   2           HA       ASP   2 -10.931 -12.467 -12.467
    7   1HB   ASP   2          2HB       ASP   2  -9.827 -13.376 -13.376
    8   2HB   ASP   2          1HB       ASP   2 -11.524 -13.412 -13.412
    9    H    ALA   3           H        ALA   3 -10.370 -10.067 -10.067
   10    HA   ALA   3           HA       ALA   3 -10.040  -8.171  -8.171
   11   1HB   ALA   3          2HB       ALA   3 -12.125  -8.115  -8.115
   12   2HB   ALA   3          3HB       ALA   3 -11.509  -6.689  -6.689
   13   3HB   ALA   3          1HB       ALA   3 -10.410  -7.668  -7.668
   14    H    ALA   4           H        ALA   4 -13.098  -9.923  -9.923
   15    HA   ALA   4           HA       ALA   4 -14.725  -8.414  -8.414
   16   1HB   ALA   4          3HB       ALA   4 -15.630 -10.010 -10.010
   17   2HB   ALA   4          1HB       ALA   4 -14.892 -11.365 -11.365
   18   3HB   ALA   4          2HB       ALA   4 -16.183 -10.405 -10.405
   19    H    LYS   5           HN       LYS   5 -12.483 -11.141 -11.141
   20    HA   LYS   5           HA       LYS   5 -13.308 -11.442 -11.442
   21   1HB   LYS   5          1HB       LYS   5 -10.944 -12.573 -12.573
   22   2HB   LYS   5          2HB       LYS   5 -11.338 -12.916 -12.916
   23   1HG   LYS   5          1HG       LYS   5 -13.501 -13.901 -13.901
   24   2HG   LYS   5          2HG       LYS   5 -13.201 -13.486 -13.486
   25   1HD   LYS   5          1HD       LYS   5 -12.734 -15.826 -15.826
   26   2HD   LYS   5          2HD       LYS   5 -11.219 -14.989 -14.989
   27   1HE   LYS   5          2HE       LYS   5 -10.597 -15.041 -15.041
   28   2HE   LYS   5          1HE       LYS   5 -12.163 -15.771 -15.771
   29   1HZ   LYS   5          2HZ       LYS   5 -10.099 -16.961 -16.961
   30   2HZ   LYS   5          1HZ       LYS   5 -10.421 -17.383 -17.383
   31   3HZ   LYS   5          3HZ       LYS   5 -11.543 -17.655 -17.655
   32    H    GLY   6           H        GLY   6 -10.676 -10.074 -10.074
   33   1HA   GLY   6          1HA       GLY   6  -8.962  -9.043  -9.043
   34   2HA   GLY   6          2HA       GLY   6  -9.282  -8.280  -8.280
   35    H    GLU   7           HN       GLU   7 -11.908  -7.481  -7.481
   36    HA   GLU   7           HA       GLU   7 -11.899  -5.107  -5.107
   37   1HB   GLU   7          1HB       GLU   7 -13.488  -5.759  -5.759
   38   2HB   GLU   7          2HB       GLU   7 -14.311  -6.849  -6.849
   39   1HG   GLU   7          2HG       GLU   7 -15.004  -4.973  -4.973
   40   2HG   GLU   7          1HG       GLU   7 -14.060  -3.841  -3.841
   41    H    LYS   8           HN       LYS   8 -13.052  -8.298  -8.298
   42    HA   LYS   8           HA       LYS   8 -14.158  -7.206  -7.206
   43   1HB   LYS   8          1HB       LYS   8 -13.533 -10.088 -10.088
   44   2HB   LYS   8          2HB       LYS   8 -14.533  -9.538  -9.538
   45   1HG   LYS   8          1HG       LYS   8 -16.116  -8.483  -8.483
   46   2HG   LYS   8          2HG       LYS   8 -15.117  -9.066  -9.066
   47   1HD   LYS   8          1HD       LYS   8 -15.462 -11.436 -11.436
   48   2HD   LYS   8          2HD       LYS   8 -16.609 -10.762 -10.762
   49   1HE   LYS   8          2HE       LYS   8 -17.892 -11.561 -11.561
   50   2HE   LYS   8          1HE       LYS   8 -17.915  -9.792  -9.792
   51   1HZ   LYS   8          2HZ       LYS   8 -16.129  -9.954  -9.954
   52   2HZ   LYS   8          1HZ       LYS   8 -16.197 -11.594 -11.594
   53   3HZ   LYS   8          3HZ       LYS   8 -17.492 -10.746 -10.746
   54    H    GLU   9           HN       GLU   9 -11.302  -9.056  -9.056
   55    HA   GLU   9           HA       GLU   9 -10.094  -9.362  -9.362
   56   1HB   GLU   9          1HB       GLU   9  -9.543 -10.546 -10.546
   57   2HB   GLU   9          2HB       GLU   9  -8.585  -9.115  -9.115
   58   1HG   GLU   9          1HG       GLU   9  -7.210  -9.440  -9.440
   59   2HG   GLU   9          2HG       GLU   9  -8.262 -10.794 -10.794
   60    H    PHE  10           H        PHE  10 -10.051  -6.704  -6.704
   61    HA   PHE  10           HA       PHE  10  -8.073  -5.099  -5.099
   62   1HB   PHE  10          2HB       PHE  10  -9.532  -4.744  -4.744
   63   2HB   PHE  10          1HB       PHE  10 -10.710  -3.998  -3.998
   64    HD1  PHE  10           HD2      PHE  10  -7.267  -3.773  -3.773
   65    HD2  PHE  10           HD1      PHE  10 -10.266  -1.778  -1.778
   66    HE1  PHE  10           HE2      PHE  10  -5.959  -1.681  -1.681
   67    HE2  PHE  10           HE1      PHE  10  -8.930   0.321   0.321
   68    HZ   PHE  10           HZ       PHE  10  -6.823   0.393   0.393
   69    H    ASN  11           H        ASN  11 -11.002  -5.974  -5.974
   70    HA   ASN  11           HA       ASN  11 -11.298  -3.753  -3.753
   71   1HB   ASN  11          2HB       ASN  11 -12.817  -5.668  -5.668
   72   2HB   ASN  11          1HB       ASN  11 -11.536  -6.722  -6.722
   73   1HD2  ASN  11          1HD2      ASN  11 -12.022  -5.691  -5.691
   74   2HD2  ASN  11          2HD2      ASN  11 -11.218  -6.791  -6.791
   75    H    LYS  12           HN       LYS  12  -8.752  -6.263  -6.263
   76    HA   LYS  12           HA       LYS  12  -7.586  -5.508  -5.508
   77   1HB   LYS  12          2HB       LYS  12  -6.529  -7.107  -7.107
   78   2HB   LYS  12          1HB       LYS  12  -5.705  -6.933  -6.933
   79   1HG   LYS  12          2HG       LYS  12  -7.657  -7.892  -7.892
   80   2HG   LYS  12          1HG       LYS  12  -8.497  -8.132  -8.132
   81   1HD   LYS  12          1HD       LYS  12  -5.833  -9.435  -9.435
   82   2HD   LYS  12          2HD       LYS  12  -7.429 -10.194 -10.194
   83   1HE   LYS  12          2HE       LYS  12  -7.766  -9.741  -9.741
   84   2HE   LYS  12          1HE       LYS  12  -6.053  -9.288  -9.288
   85   1HZ   LYS  12          2HZ       LYS  12  -5.508 -11.471 -11.471
   86   2HZ   LYS  12          1HZ       LYS  12  -7.101 -11.890 -11.890
   87   3HZ   LYS  12          3HZ       LYS  12  -6.379 -11.559 -11.559
   88    H    CYS  13           H        CYS  13  -7.414  -4.263  -4.263
   89    HA   CYS  13           HA       CYS  13  -4.847  -2.884  -2.884
   90   1HB   CYS  13          1HB       CYS  13  -6.908  -2.489  -2.489
   91   2HB   CYS  13          2HB       CYS  13  -5.219  -1.967  -1.967
   92    H    LYS  14           HN       LYS  14  -8.326  -2.148  -2.148
   93    HA   LYS  14           HA       LYS  14  -8.504   0.542   0.542
   94   1HB   LYS  14          1HB       LYS  14 -10.357  -0.975  -0.975
   95   2HB   LYS  14          2HB       LYS  14 -10.167  -1.712  -1.712
   96   1HG   LYS  14          1HG       LYS  14 -10.803   0.425   0.425
   97   2HG   LYS  14          2HG       LYS  14 -11.080   1.124   1.124
   98   1HD   LYS  14          1HD       LYS  14 -12.706  -0.832  -0.832
   99   2HD   LYS  14          2HD       LYS  14 -12.536  -1.229  -1.229
  100   1HE   LYS  14          1HE       LYS  14 -13.531   1.440   1.440
  101   2HE   LYS  14          2HE       LYS  14 -14.549   0.160   0.160
  102   1HZ   LYS  14          2HZ       LYS  14 -13.454   0.476   0.476
  103   2HZ   LYS  14          1HZ       LYS  14 -12.499   1.663   1.663
  104   3HZ   LYS  14          3HZ       LYS  14 -14.116   1.894   1.894
  105    H    THR  15           H        THR  15  -7.639  -1.897  -1.897
  106    HA   THR  15           HA       THR  15  -7.986  -0.481  -0.481
  107    HB   THR  15           HB       THR  15  -5.626  -2.308  -2.308
  108    HG1  THR  15           HG1      THR  15  -8.388  -2.923  -2.923
  109   1HG2  THR  15          1HG2      THR  15  -7.517  -2.067  -2.067
  110   2HG2  THR  15          2HG2      THR  15  -6.154  -3.195  -3.195
  111   3HG2  THR  15          3HG2      THR  15  -5.851  -1.449  -1.449
  112    H    CYS  16           H        CYS  16  -5.466  -0.133  -0.133
  113    HA   CYS  16           HA       CYS  16  -4.094   2.009   2.009
  114   1HB   CYS  16          2HB       CYS  16  -3.121  -0.107  -0.107
  115   2HB   CYS  16          1HB       CYS  16  -2.194   1.366   1.366
  116    H    HIS  17           HN       HIS  17  -5.418   1.032   1.032
  117    HA   HIS  17           HA       HIS  17  -4.642   3.631   3.631
  118   1HB   HIS  17          2HB       HIS  17  -5.424   0.944   0.944
  119   2HB   HIS  17          1HB       HIS  17  -5.039   2.373   2.373
  120    HD1  HIS  17           HD1      HIS  17  -2.693   3.344   3.344
  121    HD2  HIS  17           HD2      HIS  17  -2.955  -0.484  -0.484
  122    HE1  HIS  17           HE1      HIS  17  -0.407   2.297   2.297
  123    H    SER  18           H        SER  18  -6.326   3.843   3.843
  124    HA   SER  18           HA       SER  18  -9.107   3.374   3.374
  125   1HB   SER  18          1HB       SER  18  -7.839   6.157   6.157
  126   2HB   SER  18          2HB       SER  18  -9.565   5.894   5.894
  127    HG   SER  18           HG       SER  18  -8.050   5.010   5.010
  128    H    ILE  19           H        ILE  19 -10.468   4.423   4.423
  129    HA   ILE  19           HA       ILE  19  -9.105   4.898   4.898
  130    HB   ILE  19           HB       ILE  19 -10.887   2.545   2.545
  131   1HG1  ILE  19          1HG1      ILE  19  -8.906   2.975   2.975
  132   2HG1  ILE  19          2HG1      ILE  19  -8.359   2.599   2.599
  133   1HG2  ILE  19          3HG2      ILE  19 -11.098   4.180   4.180
  134   2HG2  ILE  19          2HG2      ILE  19 -11.680   2.520   2.520
  135   3HG2  ILE  19          1HG2      ILE  19 -12.400   3.808   3.808
  136   1HD1  ILE  19          1HD1      ILE  19  -9.733   0.535   0.535
  137   2HD1  ILE  19          3HD1      ILE  19 -10.211   0.850   0.850
  138   3HD1  ILE  19          2HD1      ILE  19  -8.511   0.548   0.548
  139    H    ILE  20           H        ILE  20 -10.117   6.437   6.437
  140    HA   ILE  20           HA       ILE  20 -12.351   7.887   7.887
  141    HB   ILE  20           HB       ILE  20  -9.776   8.750   8.750
  142   1HG1  ILE  20          2HG1      ILE  20 -10.804  11.156  11.156
  143   2HG1  ILE  20          1HG1      ILE  20 -12.349  10.294  10.294
  144   1HG2  ILE  20          3HG2      ILE  20  -9.585   8.561   8.561
  145   2HG2  ILE  20          2HG2      ILE  20 -10.795   9.852   9.852
  146   3HG2  ILE  20          1HG2      ILE  20  -9.255  10.174  10.174
  147   1HD1  ILE  20          1HD1      ILE  20 -11.441   9.101   9.101
  148   2HD1  ILE  20          2HD1      ILE  20 -10.211  10.361  10.361
  149   3HD1  ILE  20          3HD1      ILE  20 -11.927  10.812  10.812
  150    H    ALA  21           H        ALA  21 -13.868   8.831   8.831
  151    HA   ALA  21           HA       ALA  21 -14.029   7.521   7.521
  152   1HB   ALA  21          3HB       ALA  21 -15.841   9.466   9.466
  153   2HB   ALA  21          2HB       ALA  21 -16.210   8.812   8.812
  154   3HB   ALA  21          1HB       ALA  21 -16.084   7.721   7.721
  155    HA   PRO  22           HA       PRO  22 -12.460  10.938  10.938
  156   1HB   PRO  22          2HB       PRO  22 -15.265  10.971  10.971
  157   2HB   PRO  22          1HB       PRO  22 -13.706  11.162  11.162
  158   1HG   PRO  22          1HG       PRO  22 -14.935   8.745   8.745
  159   2HG   PRO  22          2HG       PRO  22 -13.183   8.855   8.855
  160   1HD   PRO  22          1HD       PRO  22 -15.414   8.473   8.473
  161   2HD   PRO  22          2HD       PRO  22 -13.794   7.725   7.725
  162    H    ASP  23           HN       ASP  23 -15.762  11.286  11.286
  163    HA   ASP  23           HA       ASP  23 -15.883  14.093  14.093
  164   1HB   ASP  23          2HB       ASP  23 -17.380  12.080  12.080
  165   2HB   ASP  23          1HB       ASP  23 -17.913  13.694  13.694
  166    H    GLY  24           H        GLY  24 -13.541  12.549  12.549
  167   1HA   GLY  24          1HA       GLY  24 -12.285  12.871  12.871
  168   2HA   GLY  24          2HA       GLY  24 -13.004  14.489  14.489
  169    H    THR  25           H        THR  25 -14.791  11.461  11.461
  170    HA   THR  25           HA       THR  25 -15.662  12.087  12.087
  171    HB   THR  25           HB       THR  25 -17.117  10.681  10.681
  172    HG1  THR  25           HG1      THR  25 -16.817  13.064  13.064
  173   1HG2  THR  25          2HG2      THR  25 -18.059  11.498  11.498
  174   2HG2  THR  25          1HG2      THR  25 -19.086  10.862  10.862
  175   3HG2  THR  25          3HG2      THR  25 -17.841   9.827   9.827
  176    H    GLU  26           HN       GLU  26 -15.137  10.562  10.562
  177    HA   GLU  26           HA       GLU  26 -13.421   8.359   8.359
  178   1HB   GLU  26          2HB       GLU  26 -14.982   8.934   8.934
  179   2HB   GLU  26          1HB       GLU  26 -13.662   7.771   7.771
  180   1HG   GLU  26          2HG       GLU  26 -12.079   9.583   9.583
  181   2HG   GLU  26          1HG       GLU  26 -13.371  10.791  10.791
  182    H    ILE  27           H        ILE  27 -13.917   6.415   6.415
  183    HA   ILE  27           HA       ILE  27 -16.732   5.405   5.405
  184    HB   ILE  27           HB       ILE  27 -14.506   4.563   4.563
  185   1HG1  ILE  27          2HG1      ILE  27 -15.368   6.674   6.674
  186   2HG1  ILE  27          1HG1      ILE  27 -15.997   5.414   5.414
  187   1HG2  ILE  27          1HG2      ILE  27 -17.348   3.520   3.520
  188   2HG2  ILE  27          3HG2      ILE  27 -16.291   3.157   3.157
  189   3HG2  ILE  27          2HG2      ILE  27 -15.837   2.629   2.629
  190   1HD1  ILE  27          3HD1      ILE  27 -18.174   5.494   5.494
  191   2HD1  ILE  27          1HD1      ILE  27 -17.515   6.896   6.896
  192   3HD1  ILE  27          2HD1      ILE  27 -17.783   6.984   6.984
  193    H    VAL  28           H        VAL  28 -13.278   4.403   4.403
  194    HA   VAL  28           HA       VAL  28 -14.071   2.369   2.369
  195    HB   VAL  28           HB       VAL  28 -11.472   2.567   2.567
  196   1HG1  VAL  28          2HG2      VAL  28 -12.516   0.661   0.661
  197   2HG1  VAL  28          1HG2      VAL  28 -11.123   0.313   0.313
  198   3HG1  VAL  28          3HG2      VAL  28 -11.061   1.691   1.691
  199   1HG2  VAL  28          1HG1      VAL  28 -13.798   0.595   0.595
  200   2HG2  VAL  28          2HG1      VAL  28 -13.340   1.756   1.756
  201   3HG2  VAL  28          3HG1      VAL  28 -12.246   0.423   0.423
  202    H    LYS  29           HN       LYS  29 -14.580   4.135   4.135
  203    HA   LYS  29           HA       LYS  29 -12.678   6.146   6.146
  204   1HB   LYS  29          1HB       LYS  29 -15.130   6.431   6.431
  205   2HB   LYS  29          2HB       LYS  29 -15.258   5.165   5.165
  206   1HG   LYS  29          1HG       LYS  29 -14.021   6.514   6.514
  207   2HG   LYS  29          2HG       LYS  29 -13.609   7.707   7.707
  208   1HD   LYS  29          1HD       LYS  29 -15.998   8.281   8.281
  209   2HD   LYS  29          2HD       LYS  29 -16.437   7.068   7.068
  210   1HE   LYS  29          2HE       LYS  29 -15.108   8.302   8.302
  211   2HE   LYS  29          1HE       LYS  29 -14.637   9.496   9.496
  212   1HZ   LYS  29          1HZ       LYS  29 -17.381   8.961   8.961
  213   2HZ   LYS  29          2HZ       LYS  29 -16.456  10.256  10.256
  214   3HZ   LYS  29          3HZ       LYS  29 -16.936  10.070  10.070
  215    H    GLY  30           H        GLY  30 -10.898   4.593   4.593
  216   1HA   GLY  30          1HA       GLY  30 -10.896   2.938   2.938
  217   2HA   GLY  30          2HA       GLY  30  -9.781   2.860   2.860
  218    H    ALA  31           H        ALA  31  -8.072   3.061   3.061
  219    HA   ALA  31           HA       ALA  31  -7.807   5.670   5.670
  220   1HB   ALA  31          2HB       ALA  31  -7.092   3.579   3.579
  221   2HB   ALA  31          1HB       ALA  31  -5.896   3.334   3.334
  222   3HB   ALA  31          3HB       ALA  31  -5.757   4.730   4.730
  223    H    LYS  32           HN       LYS  32  -5.541   6.688   6.688
  224    HA   LYS  32           HA       LYS  32  -4.727   6.816   6.816
  225   1HB   LYS  32          2HB       LYS  32  -4.826   9.104   9.104
  226   2HB   LYS  32          1HB       LYS  32  -4.397   9.209   9.209
  227   1HG   LYS  32          1HG       LYS  32  -7.148   8.474   8.474
  228   2HG   LYS  32          2HG       LYS  32  -6.669  10.051  10.051
  229   1HD   LYS  32          1HD       LYS  32  -6.254   9.106   9.106
  230   2HD   LYS  32          2HD       LYS  32  -6.717   7.492   7.492
  231   1HE   LYS  32          1HE       LYS  32  -8.564   9.919   9.919
  232   2HE   LYS  32          2HE       LYS  32  -8.551   8.679   8.679
  233   1HZ   LYS  32          3HZ       LYS  32  -9.113   8.162   8.162
  234   2HZ   LYS  32          2HZ       LYS  32 -10.229   8.279   8.279
  235   3HZ   LYS  32          1HZ       LYS  32  -9.129   7.050   7.050
  236    H    THR  33           H        THR  33  -3.671   5.023   5.023
  237    HA   THR  33           HA       THR  33  -1.237   6.118   6.118
  238    HB   THR  33           HB       THR  33  -2.079   3.227   3.227
  239    HG1  THR  33           HG1      THR  33  -3.527   4.561   4.561
  240   1HG2  THR  33          2HG2      THR  33  -0.086   4.468   4.468
  241   2HG2  THR  33          1HG2      THR  33  -0.567   2.760   2.760
  242   3HG2  THR  33          3HG2      THR  33   0.322   3.464   3.464
  243    H    GLY  34           H        GLY  34  -2.357   4.429   4.429
  244   1HA   GLY  34          1HA       GLY  34   0.351   4.721   4.721
  245   2HA   GLY  34          2HA       GLY  34  -0.798   3.427   3.427
  246    HA   PRO  35           HA       PRO  35  -1.506   7.496   7.496
  247   1HB   PRO  35          2HB       PRO  35  -0.806   6.508   6.508
  248   2HB   PRO  35          1HB       PRO  35   0.362   7.270   7.270
  249   1HG   PRO  35          2HG       PRO  35  -0.255   4.311   4.311
  250   2HG   PRO  35          1HG       PRO  35   1.348   5.091   5.091
  251   1HD   PRO  35          2HD       PRO  35   0.632   4.067   4.067
  252   2HD   PRO  35          1HD       PRO  35   1.267   5.720   5.720
  253    H    ASN  36           H        ASN  36  -3.504   7.783   7.783
  254    HA   ASN  36           HA       ASN  36  -5.458   5.735   5.735
  255   1HB   ASN  36          1HB       ASN  36  -5.931   8.144   8.144
  256   2HB   ASN  36          2HB       ASN  36  -5.385   8.381   8.381
  257   1HD2  ASN  36          1HD2      ASN  36  -8.370   6.994   6.994
  258   2HD2  ASN  36          2HD2      ASN  36  -6.790   7.659   7.659
  259    H    LEU  37           H        LEU  37  -5.696   4.091   4.091
  260    HA   LEU  37           HA       LEU  37  -3.831   3.891   3.891
  261   1HB   LEU  37          1HB       LEU  37  -5.641   1.792   1.792
  262   2HB   LEU  37          2HB       LEU  37  -4.385   1.502   1.502
  263    HG   LEU  37           HG       LEU  37  -3.934   2.474   2.474
  264   1HD1  LEU  37          2HD1      LEU  37  -3.346  -0.173  -0.173
  265   2HD1  LEU  37          1HD1      LEU  37  -2.782   0.251   0.251
  266   3HD1  LEU  37          3HD1      LEU  37  -4.513   0.108   0.108
  267   1HD2  LEU  37          3HD2      LEU  37  -2.176   3.423   3.423
  268   2HD2  LEU  37          2HD2      LEU  37  -1.528   2.194   2.194
  269   3HD2  LEU  37          1HD2      LEU  37  -1.837   1.777   1.777
  270    H    TYR  38           H        TYR  38  -6.585   5.439   5.439
  271    HA   TYR  38           HA       TYR  38  -7.806   3.989   3.989
  272   1HB   TYR  38          1HB       TYR  38  -9.171   5.402   5.402
  273   2HB   TYR  38          2HB       TYR  38  -8.150   6.810   6.810
  274    HD1  TYR  38           HD2      TYR  38 -10.516   4.394   4.394
  275    HD2  TYR  38           HD1      TYR  38  -8.530   8.203   8.203
  276    HE1  TYR  38           HE2      TYR  38 -11.830   4.905   4.905
  277    HE2  TYR  38           HE1      TYR  38  -9.792   8.678   8.678
  278    HH   TYR  38           HH       TYR  38 -12.173   6.393   6.393
  279    H    GLY  39           H        GLY  39  -5.788   3.602   3.602
  280   1HA   GLY  39          1HA       GLY  39  -5.274   4.274   4.274
  281   2HA   GLY  39          2HA       GLY  39  -4.980   5.906   5.906
  282    H    VAL  40           H        VAL  40  -3.932   2.699   2.699
  283    HA   VAL  40           HA       VAL  40  -1.158   3.610   3.610
  284    HB   VAL  40           HB       VAL  40  -2.339   0.789   0.789
  285   1HG1  VAL  40          2HG2      VAL  40   0.125   0.796   0.796
  286   2HG1  VAL  40          1HG2      VAL  40   0.337   1.885   1.885
  287   3HG1  VAL  40          3HG2      VAL  40  -0.274   0.235   0.235
  288   1HG2  VAL  40          3HG1      VAL  40  -3.289   2.299   2.299
  289   2HG2  VAL  40          1HG1      VAL  40  -2.260   1.032   1.032
  290   3HG2  VAL  40          2HG1      VAL  40  -1.648   2.708   2.708
  291    H    VAL  41           H        VAL  41  -3.026   1.456   1.456
  292    HA   VAL  41           HA       VAL  41  -0.886   0.376   0.376
  293    HB   VAL  41           HB       VAL  41  -3.724   0.862   0.862
  294   1HG1  VAL  41          3HG1      VAL  41  -2.144   0.052   0.052
  295   2HG1  VAL  41          1HG1      VAL  41  -1.686  -1.305  -1.305
  296   3HG1  VAL  41          2HG1      VAL  41  -3.340  -1.181  -1.181
  297   1HG2  VAL  41          3HG2      VAL  41  -2.560  -1.336  -1.336
  298   2HG2  VAL  41          1HG2      VAL  41  -3.942  -0.282  -0.282
  299   3HG2  VAL  41          2HG2      VAL  41  -4.071  -1.516  -1.516
  300    H    GLY  42           H        GLY  42   0.609   1.358   1.358
  301   1HA   GLY  42          1HA       GLY  42   1.403   2.537   2.537
  302   2HA   GLY  42          2HA       GLY  42  -0.053   3.534   3.534
  303    H    ARG  43           HN       ARG  43   0.533   3.721   3.721
  304    HA   ARG  43           HA       ARG  43   1.672   6.336   6.336
  305   1HB   ARG  43          1HB       ARG  43   0.001   5.454   5.454
  306   2HB   ARG  43          2HB       ARG  43   1.412   4.774   4.774
  307   1HG   ARG  43          1HG       ARG  43   1.023   6.846   6.846
  308   2HG   ARG  43          2HG       ARG  43   2.380   7.170   7.170
  309   1HD   ARG  43          1HD       ARG  43   0.676   8.062   8.062
  310   2HD   ARG  43          2HD       ARG  43  -0.569   7.835   7.835
  311    HE   ARG  43           HE       ARG  43   1.542   9.380   9.380
  312   1HH1  ARG  43          1HH2      ARG  43  -0.886   9.670   9.670
  313   2HH1  ARG  43          2HH2      ARG  43  -0.890  11.413  11.413
  314   1HH2  ARG  43          1HH1      ARG  43   1.504  11.618  11.618
  315   2HH2  ARG  43          2HH1      ARG  43   0.527  12.558  12.558
  316    H    THR  44           H        THR  44   3.734   7.112   7.112
  317    HA   THR  44           HA       THR  44   5.925   5.348   5.348
  318    HB   THR  44           HB       THR  44   5.903   8.269   8.269
  319    HG1  THR  44           HG1      THR  44   5.757   7.048   7.048
  320   1HG2  THR  44          3HG2      THR  44   8.003   6.603   6.603
  321   2HG2  THR  44          1HG2      THR  44   8.068   8.355   8.355
  322   3HG2  THR  44          2HG2      THR  44   8.146   7.251   7.251
  323    H    ALA  45           H        ALA  45   5.229   3.965   3.965
  324    HA   ALA  45           HA       ALA  45   5.627   3.169   3.169
  325   1HB   ALA  45          2HB       ALA  45   8.028   3.520   3.520
  326   2HB   ALA  45          1HB       ALA  45   7.965   5.056   5.056
  327   3HB   ALA  45          3HB       ALA  45   7.698   3.517   3.517
  328    H    GLY  46           H        GLY  46   6.859   5.059   5.059
  329   1HA   GLY  46          1HA       GLY  46   4.389   6.032   6.032
  330   2HA   GLY  46          2HA       GLY  46   6.004   6.233   6.233
  331    H    THR  47           H        THR  47   3.883   7.407   7.407
  332    HA   THR  47           HA       THR  47   4.724  10.223  10.223
  333    HB   THR  47           HB       THR  47   4.482  10.581  10.581
  334    HG1  THR  47           HG1      THR  47   5.041   7.818   7.818
  335   1HG2  THR  47          3HG2      THR  47   6.670  10.600  10.600
  336   2HG2  THR  47          2HG2      THR  47   6.786   8.837   8.837
  337   3HG2  THR  47          1HG2      THR  47   6.766   9.853   9.853
  338    H    TYR  48           H        TYR  48   2.198   8.465   8.465
  339    HA   TYR  48           HA       TYR  48   0.086   9.696   9.696
  340   1HB   TYR  48          2HB       TYR  48   0.029   7.519   7.519
  341   2HB   TYR  48          1HB       TYR  48  -0.143   8.525   8.525
  342    HD1  TYR  48           HD2      TYR  48  -1.704   7.373   7.373
  343    HD2  TYR  48           HD1      TYR  48  -2.261   9.733   9.733
  344    HE1  TYR  48           HE2      TYR  48  -4.127   7.288   7.288
  345    HE2  TYR  48           HE1      TYR  48  -4.704   9.774   9.774
  346    HH   TYR  48           HH       TYR  48  -6.185   7.814   7.814
  347    HA   PRO  49           HA       PRO  49   0.305  13.658  13.658
  348   1HB   PRO  49          2HB       PRO  49  -2.720  13.613  13.613
  349   2HB   PRO  49          1HB       PRO  49  -1.618  14.954  14.954
  350   1HG   PRO  49          2HG       PRO  49  -2.757  13.442  13.442
  351   2HG   PRO  49          1HG       PRO  49  -1.010  13.823  13.823
  352   1HD   PRO  49          1HD       PRO  49  -2.306  11.277  11.277
  353   2HD   PRO  49          2HD       PRO  49  -0.929  11.485  11.485
  354    H    GLU  50           HN       GLU  50  -0.028  14.762  14.762
  355    HA   GLU  50           HA       GLU  50  -0.034  14.920  14.920
  356   1HB   GLU  50          1HB       GLU  50  -2.834  13.813  13.813
  357   2HB   GLU  50          2HB       GLU  50  -2.278  14.746  14.746
  358   1HG   GLU  50          1HG       GLU  50  -1.768  16.677  16.677
  359   2HG   GLU  50          2HG       GLU  50  -2.403  15.760  15.760
  360    H    PHE  51           H        PHE  51   1.598  12.932  12.932
  361    HA   PHE  51           HA       PHE  51   0.918  11.414  11.414
  362   1HB   PHE  51          2HB       PHE  51  -0.077  10.008  10.008
  363   2HB   PHE  51          1HB       PHE  51   1.537   9.838   9.838
  364    HD1  PHE  51           HD2      PHE  51  -0.606   9.153   9.153
  365    HD2  PHE  51           HD1      PHE  51   3.258   8.496   8.496
  366    HE1  PHE  51           HE2      PHE  51  -0.003   7.636   7.636
  367    HE2  PHE  51           HE1      PHE  51   3.856   6.964   6.964
  368    HZ   PHE  51           HZ       PHE  51   2.205   6.503   6.503
  369    H    LYS  52           HN       LYS  52   2.657  11.508  11.508
  370    HA   LYS  52           HA       LYS  52   5.218  12.304  12.304
  371   1HB   LYS  52          1HB       LYS  52   4.511  13.158  13.158
  372   2HB   LYS  52          2HB       LYS  52   4.329  11.531  11.531
  373   1HG   LYS  52          2HG       LYS  52   6.374  12.700  12.700
  374   2HG   LYS  52          1HG       LYS  52   6.703  11.159  11.159
  375   1HD   LYS  52          2HD       LYS  52   7.333  12.404  12.404
  376   2HD   LYS  52          1HD       LYS  52   7.012  13.927  13.927
  377   1HE   LYS  52          1HE       LYS  52   9.396  13.448  13.448
  378   2HE   LYS  52          2HE       LYS  52   8.821  13.308  13.308
  379   1HZ   LYS  52          1HZ       LYS  52   9.189  11.047  11.047
  380   2HZ   LYS  52          3HZ       LYS  52  10.285  11.509  11.509
  381   3HZ   LYS  52          2HZ       LYS  52   8.802  10.949  10.949
  382    H    TYR  53           H        TYR  53   5.543  10.558  10.558
  383    HA   TYR  53           HA       TYR  53   6.058   7.857   7.857
  384   1HB   TYR  53          1HB       TYR  53   7.088   9.427   9.427
  385   2HB   TYR  53          2HB       TYR  53   7.323   7.701   7.701
  386    HD1  TYR  53           HD1      TYR  53   5.347   6.124   6.124
  387    HD2  TYR  53           HD2      TYR  53   5.018  10.248  10.248
  388    HE1  TYR  53           HE1      TYR  53   3.386   5.565   5.565
  389    HE2  TYR  53           HE2      TYR  53   2.965   9.704   9.704
  390    HH   TYR  53           HH       TYR  53   1.938   6.337   6.337
  391    H    LYS  54           HN       LYS  54   8.282   6.856   6.856
  392    HA   LYS  54           HA       LYS  54  10.307   8.442   8.442
  393   1HB   LYS  54          2HB       LYS  54  10.624   5.536   5.536
  394   2HB   LYS  54          1HB       LYS  54  11.223   6.474   6.474
  395   1HG   LYS  54          2HG       LYS  54   8.342   5.596   5.596
  396   2HG   LYS  54          1HG       LYS  54   9.466   4.906   4.906
  397   1HD   LYS  54          1HD       LYS  54   9.503   6.884   6.884
  398   2HD   LYS  54          2HD       LYS  54   8.669   7.859   7.859
  399   1HE   LYS  54          2HE       LYS  54   7.399   5.454   5.454
  400   2HE   LYS  54          1HE       LYS  54   7.208   7.132   7.132
  401   1HZ   LYS  54          1HZ       LYS  54   6.406   6.123   6.123
  402   2HZ   LYS  54          3HZ       LYS  54   5.407   6.448   6.448
  403   3HZ   LYS  54          2HZ       LYS  54   6.235   7.672   7.672
  404    H    ASP  55           HN       ASP  55  12.584   7.683   7.683
  405    HA   ASP  55           HA       ASP  55  13.026   8.825   8.825
  406   1HB   ASP  55          2HB       ASP  55  14.618   9.075   9.075
  407   2HB   ASP  55          1HB       ASP  55  14.879   7.320   7.320
  408    H    SER  56           H        SER  56  12.681   5.437   5.437
  409    HA   SER  56           HA       SER  56  14.310   4.169   4.169
  410   1HB   SER  56          2HB       SER  56  12.765   2.247   2.247
  411   2HB   SER  56          1HB       SER  56  13.764   3.130   3.130
  412    HG   SER  56           HG       SER  56  11.608   3.005   3.005
  413    H    ILE  57           H        ILE  57  10.864   4.159   4.159
  414    HA   ILE  57           HA       ILE  57  10.126   3.110   3.110
  415    HB   ILE  57           HB       ILE  57   8.940   3.276   3.276
  416   1HG1  ILE  57          2HG1      ILE  57   7.289   3.853   3.853
  417   2HG1  ILE  57          1HG1      ILE  57   7.982   2.283   2.283
  418   1HG2  ILE  57          2HG2      ILE  57   9.039   5.705   5.705
  419   2HG2  ILE  57          3HG2      ILE  57   7.884   5.918   5.918
  420   3HG2  ILE  57          1HG2      ILE  57   7.406   5.078   5.078
  421   1HD1  ILE  57          1HD1      ILE  57   6.642   2.277   2.277
  422   2HD1  ILE  57          3HD1      ILE  57   5.825   3.763   3.763
  423   3HD1  ILE  57          2HD1      ILE  57   5.670   2.267   2.267
  424    H    VAL  58           H        VAL  58  10.512   6.537   6.537
  425    HA   VAL  58           HA       VAL  58   9.575   7.656   7.656
  426    HB   VAL  58           HB       VAL  58  11.485   8.654   8.654
  427   1HG1  VAL  58          2HG2      VAL  58  10.383  10.157  10.157
  428   2HG1  VAL  58          3HG2      VAL  58  11.148  10.920  10.920
  429   3HG1  VAL  58          1HG2      VAL  58  12.095   9.852   9.852
  430   1HG2  VAL  58          2HG1      VAL  58   9.021   8.343   8.343
  431   2HG2  VAL  58          1HG1      VAL  58   9.577  10.021  10.021
  432   3HG2  VAL  58          3HG1      VAL  58   8.637   9.488   9.488
  433    H    ALA  59           H        ALA  59  12.913   6.725   6.725
  434    HA   ALA  59           HA       ALA  59  14.213   7.457   7.457
  435   1HB   ALA  59          1HB       ALA  59  14.932   5.305   5.305
  436   2HB   ALA  59          2HB       ALA  59  16.015   5.954   5.954
  437   3HB   ALA  59          3HB       ALA  59  15.420   7.011   7.011
  438    H    LEU  60           H        LEU  60  12.642   4.407   4.407
  439    HA   LEU  60           HA       LEU  60  13.363   2.890   2.890
  440   1HB   LEU  60          1HB       LEU  60  12.201   2.233   2.233
  441   2HB   LEU  60          2HB       LEU  60  10.690   2.679   2.679
  442    HG   LEU  60           HG       LEU  60  11.949   0.186   0.186
  443   1HD1  LEU  60          2HD1      LEU  60   9.538   0.607   0.607
  444   2HD1  LEU  60          1HD1      LEU  60   9.753   1.156   1.156
  445   3HD1  LEU  60          3HD1      LEU  60  10.080  -0.540  -0.540
  446   1HD2  LEU  60          1HD2      LEU  60  13.494   0.715   0.715
  447   2HD2  LEU  60          3HD2      LEU  60  12.297  -0.488  -0.488
  448   3HD2  LEU  60          2HD2      LEU  60  12.116   1.176   1.176
  449    H    GLY  61           H        GLY  61  10.490   5.009   5.009
  450   1HA   GLY  61          1HA       GLY  61   9.306   4.823   4.823
  451   2HA   GLY  61          2HA       GLY  61   9.299   6.253   6.253
  452    H    ALA  62           H        ALA  62  11.650   7.225   7.225
  453    HA   ALA  62           HA       ALA  62  12.102   8.637   8.637
  454   1HB   ALA  62          3HB       ALA  62  12.813   9.328   9.328
  455   2HB   ALA  62          2HB       ALA  62  14.119   8.121   8.121
  456   3HB   ALA  62          1HB       ALA  62  14.112   9.478   9.478
  457    H    SER  63           H        SER  63  13.627   5.531   5.531
  458    HA   SER  63           HA       SER  63  15.696   5.707   5.707
  459   1HB   SER  63          2HB       SER  63  16.129   3.402   3.402
  460   2HB   SER  63          1HB       SER  63  15.791   4.188   4.188
  461    HG   SER  63           HG       SER  63  13.573   3.339   3.339
  462    H    GLY  64           H        GLY  64  12.337   5.314   5.314
  463   1HA   GLY  64          1HA       GLY  64  11.467   5.573   5.573
  464   2HA   GLY  64          2HA       GLY  64  12.659   4.422   4.422
  465    H    PHE  65           H        PHE  65  10.746   4.120   4.120
  466    HA   PHE  65           HA       PHE  65   9.667   1.527   1.527
  467   1HB   PHE  65          1HB       PHE  65  10.851   1.461   1.461
  468   2HB   PHE  65          2HB       PHE  65   9.813   2.722   2.722
  469    HD1  PHE  65           HD1      PHE  65   7.353   2.307   2.307
  470    HD2  PHE  65           HD2      PHE  65  10.085  -0.853  -0.853
  471    HE1  PHE  65           HE1      PHE  65   6.063   0.735   0.735
  472    HE2  PHE  65           HE2      PHE  65   8.701  -2.463  -2.463
  473    HZ   PHE  65           HZ       PHE  65   6.790  -1.647  -1.647
  474    H    ALA  66           H        ALA  66   7.488   1.174   1.174
  475    HA   ALA  66           HA       ALA  66   5.552   3.254   3.254
  476   1HB   ALA  66          3HB       ALA  66   5.616   1.899   1.899
  477   2HB   ALA  66          1HB       ALA  66   4.311   2.933   2.933
  478   3HB   ALA  66          2HB       ALA  66   5.918   3.623   3.623
  479    H    TRP  67           H        TRP  67   3.944   2.256   2.256
  480    HA   TRP  67           HA       TRP  67   4.172  -0.485  -0.485
  481   1HB   TRP  67          2HB       TRP  67   2.058   1.650   1.650
  482   2HB   TRP  67          1HB       TRP  67   1.724  -0.006  -0.006
  483    HD1  TRP  67           HD1      TRP  67   2.653   3.032   3.032
  484    HE1  TRP  67           HE1      TRP  67   3.778   2.620   2.620
  485    HE3  TRP  67           HE3      TRP  67   3.721  -1.946  -1.946
  486    HZ2  TRP  67           HZ2      TRP  67   5.091   0.491   0.491
  487    HZ3  TRP  67           HZ3      TRP  67   5.056  -3.094  -3.094
  488    HH2  TRP  67           HH2      TRP  67   5.888  -1.822  -1.822
  489    H    THR  68           H        THR  68   4.036  -2.003  -2.003
  490    HA   THR  68           HA       THR  68   1.614  -1.960  -1.960
  491    HB   THR  68           HB       THR  68   2.465  -4.024  -4.024
  492    HG1  THR  68           HG1      THR  68   4.747  -3.861  -3.861
  493   1HG2  THR  68          2HG2      THR  68   3.394  -1.929  -1.929
  494   2HG2  THR  68          1HG2      THR  68   4.727  -1.997  -1.997
  495   3HG2  THR  68          3HG2      THR  68   4.571  -3.256  -3.256
  496    H    GLU  69           HN       GLU  69   0.220  -4.000  -4.000
  497    HA   GLU  69           HA       GLU  69  -0.794  -4.541  -4.541
  498   1HB   GLU  69          2HB       GLU  69  -2.094  -6.277  -6.277
  499   2HB   GLU  69          1HB       GLU  69  -1.986  -4.826  -4.826
  500   1HG   GLU  69          1HG       GLU  69  -0.204  -5.942  -5.942
  501   2HG   GLU  69          2HG       GLU  69  -0.467  -7.414  -7.414
  502    H    GLU  70           HN       GLU  70   1.647  -6.140  -6.140
  503    HA   GLU  70           HA       GLU  70   2.112  -8.452  -8.452
  504   1HB   GLU  70          2HB       GLU  70   4.026  -6.917  -6.917
  505   2HB   GLU  70          1HB       GLU  70   4.193  -8.598  -8.598
  506   1HG   GLU  70          2HG       GLU  70   1.833  -7.552  -7.552
  507   2HG   GLU  70          1HG       GLU  70   3.286  -8.247  -8.247
  508    H    ASP  71           HN       ASP  71   3.741  -5.211  -5.211
  509    HA   ASP  71           HA       ASP  71   5.649  -5.755  -5.755
  510   1HB   ASP  71          2HB       ASP  71   4.233  -3.180  -3.180
  511   2HB   ASP  71          1HB       ASP  71   5.529  -3.252  -3.252
  512    H    ILE  72           H        ILE  72   2.385  -4.284  -4.284
  513    HA   ILE  72           HA       ILE  72   2.366  -3.886  -3.886
  514    HB   ILE  72           HB       ILE  72   0.037  -4.493  -4.493
  515   1HG1  ILE  72          2HG1      ILE  72   0.916  -1.786  -1.786
  516   2HG1  ILE  72          1HG1      ILE  72   1.458  -2.395  -2.395
  517   1HG2  ILE  72          1HG2      ILE  72   0.069  -3.359  -3.359
  518   2HG2  ILE  72          2HG2      ILE  72  -1.360  -3.434  -3.434
  519   3HG2  ILE  72          3HG2      ILE  72  -0.612  -4.921  -4.921
  520   1HD1  ILE  72          2HD1      ILE  72  -0.938  -2.695  -2.695
  521   2HD1  ILE  72          1HD1      ILE  72  -1.413  -1.790  -1.790
  522   3HD1  ILE  72          3HD1      ILE  72  -0.411  -1.023  -1.023
  523    H    ALA  73           H        ALA  73   1.081  -6.620  -6.620
  524    HA   ALA  73           HA       ALA  73   0.234  -8.244  -8.244
  525   1HB   ALA  73          1HB       ALA  73  -0.213  -8.722  -8.722
  526   2HB   ALA  73          3HB       ALA  73   1.503  -9.090  -9.090
  527   3HB   ALA  73          2HB       ALA  73   0.529 -10.132 -10.132
  528    H    THR  74           H        THR  74   3.554  -8.070  -8.070
  529    HA   THR  74           HA       THR  74   4.546 -10.158 -10.158
  530    HB   THR  74           HB       THR  74   6.180  -7.933  -7.933
  531    HG1  THR  74           HG1      THR  74   4.889  -8.905  -8.905
  532   1HG2  THR  74          2HG2      THR  74   6.768 -10.830 -10.830
  533   2HG2  THR  74          3HG2      THR  74   7.876  -9.788  -9.788
  534   3HG2  THR  74          1HG2      THR  74   7.436  -9.374  -9.374
  535    H    TYR  75           H        TYR  75   4.849  -6.571  -6.571
  536    HA   TYR  75           HA       TYR  75   6.272  -6.396  -6.396
  537   1HB   TYR  75          2HB       TYR  75   6.017  -4.516  -4.516
  538   2HB   TYR  75          1HB       TYR  75   4.270  -4.581  -4.581
  539    HD1  TYR  75           HD1      TYR  75   7.255  -3.826  -3.826
  540    HD2  TYR  75           HD2      TYR  75   2.981  -3.490  -3.490
  541    HE1  TYR  75           HE1      TYR  75   7.211  -1.994  -1.994
  542    HE2  TYR  75           HE2      TYR  75   2.941  -1.744  -1.744
  543    HH   TYR  75           HH       TYR  75   4.152  -0.387  -0.387
  544    H    VAL  76           H        VAL  76   2.695  -6.645  -6.645
  545    HA   VAL  76           HA       VAL  76   2.011  -6.287  -6.287
  546    HB   VAL  76           HB       VAL  76   0.811  -7.866  -7.866
  547   1HG1  VAL  76          1HG2      VAL  76  -0.379  -7.524  -7.524
  548   2HG1  VAL  76          3HG2      VAL  76  -1.287  -8.028  -8.028
  549   3HG1  VAL  76          2HG2      VAL  76   0.007  -9.060  -9.060
  550   1HG2  VAL  76          2HG1      VAL  76   0.811  -5.321  -5.321
  551   2HG2  VAL  76          1HG1      VAL  76  -0.808  -6.039  -6.039
  552   3HG2  VAL  76          3HG1      VAL  76  -0.117  -5.371  -5.371
  553    H    LYS  77           HN       LYS  77   3.482  -9.102  -9.102
  554    HA   LYS  77           HA       LYS  77   3.350 -10.684 -10.684
  555   1HB   LYS  77          1HB       LYS  77   4.195 -11.618 -11.618
  556   2HB   LYS  77          2HB       LYS  77   3.649 -12.580 -12.580
  557   1HG   LYS  77          2HG       LYS  77   1.391 -11.329 -11.329
  558   2HG   LYS  77          1HG       LYS  77   1.985 -10.798 -10.798
  559   1HD   LYS  77          1HD       LYS  77   1.727 -13.714 -13.714
  560   2HD   LYS  77          2HD       LYS  77   0.550 -12.847 -12.847
  561   1HE   LYS  77          2HE       LYS  77   3.462 -13.344 -13.344
  562   2HE   LYS  77          1HE       LYS  77   2.071 -14.277 -14.277
  563   1HZ   LYS  77          3HZ       LYS  77   2.435 -11.397 -11.397
  564   2HZ   LYS  77          1HZ       LYS  77   2.718 -12.594 -12.594
  565   3HZ   LYS  77          2HZ       LYS  77   1.191 -12.328 -12.328
  566    H    ASP  78           HN       ASP  78   5.303  -8.334  -8.334
  567    HA   ASP  78           HA       ASP  78   7.764  -9.544  -9.544
  568   1HB   ASP  78          1HB       ASP  78   7.488 -10.180 -10.180
  569   2HB   ASP  78          2HB       ASP  78   7.785  -8.455  -8.455
  570    HA   PRO  79           HA       PRO  79   6.878  -4.807  -4.807
  571   1HB   PRO  79          1HB       PRO  79   6.928  -4.661  -4.661
  572   2HB   PRO  79          2HB       PRO  79   5.458  -4.827  -4.827
  573   1HG   PRO  79          1HG       PRO  79   7.130  -6.994  -6.994
  574   2HG   PRO  79          2HG       PRO  79   5.355  -6.808  -6.808
  575   1HD   PRO  79          1HD       PRO  79   6.466  -8.561  -8.561
  576   2HD   PRO  79          2HD       PRO  79   5.127  -7.512  -7.512
  577    H    GLY  80           H        GLY  80   8.621  -3.452  -3.452
  578   1HA   GLY  80          1HA       GLY  80  10.774  -2.721  -2.721
  579   2HA   GLY  80          2HA       GLY  80  10.910  -3.926  -3.926
  580    H    ALA  81           H        ALA  81  10.730  -6.352  -6.352
  581    HA   ALA  81           HA       ALA  81  13.350  -6.736  -6.736
  582   1HB   ALA  81          2HB       ALA  81  10.840  -8.397  -8.397
  583   2HB   ALA  81          1HB       ALA  81  12.380  -9.003  -9.003
  584   3HB   ALA  81          3HB       ALA  81  12.261  -8.525  -8.525
  585    H    PHE  82           H        PHE  82  10.201  -6.374  -6.374
  586    HA   PHE  82           HA       PHE  82  11.222  -6.788  -6.788
  587   1HB   PHE  82          1HB       PHE  82   8.805  -6.519  -6.519
  588   2HB   PHE  82          2HB       PHE  82   9.033  -4.787  -4.787
  589    HD1  PHE  82           HD1      PHE  82   9.757  -7.891  -7.891
  590    HD2  PHE  82           HD2      PHE  82   8.128  -3.888  -3.888
  591    HE1  PHE  82           HE1      PHE  82   9.228  -8.066  -8.066
  592    HE2  PHE  82           HE2      PHE  82   7.445  -4.157  -4.157
  593    HZ   PHE  82           HZ       PHE  82   8.001  -6.238  -6.238
  594    H    LEU  83           H        LEU  83  11.095  -3.773  -3.773
  595    HA   LEU  83           HA       LEU  83  12.003  -1.982  -1.982
  596   1HB   LEU  83          2HB       LEU  83  12.485  -1.752  -1.752
  597   2HB   LEU  83          1HB       LEU  83  12.328  -0.515  -0.515
  598    HG   LEU  83           HG       LEU  83  10.090  -2.206  -2.206
  599   1HD1  LEU  83          2HD1      LEU  83  10.808   0.766   0.766
  600   2HD1  LEU  83          3HD1      LEU  83   9.316   0.058   0.058
  601   3HD1  LEU  83          1HD1      LEU  83  10.883  -0.395  -0.395
  602   1HD2  LEU  83          3HD2      LEU  83  10.107  -0.107  -0.107
  603   2HD2  LEU  83          1HD2      LEU  83   9.700  -1.829  -1.829
  604   3HD2  LEU  83          2HD2      LEU  83   8.638  -0.785  -0.785
  605    H    LYS  84           HN       LYS  84  13.526  -3.576  -3.576
  606    HA   LYS  84           HA       LYS  84  16.221  -2.887  -2.887
  607   1HB   LYS  84          2HB       LYS  84  15.006  -5.496  -5.496
  608   2HB   LYS  84          1HB       LYS  84  16.737  -5.160  -5.160
  609   1HG   LYS  84          1HG       LYS  84  16.475  -3.380  -3.380
  610   2HG   LYS  84          2HG       LYS  84  14.726  -3.277  -3.277
  611   1HD   LYS  84          2HD       LYS  84  14.275  -5.256  -5.256
  612   2HD   LYS  84          1HD       LYS  84  15.950  -5.825  -5.825
  613   1HE   LYS  84          1HE       LYS  84  15.172  -4.965  -4.965
  614   2HE   LYS  84          2HE       LYS  84  16.685  -4.288  -4.288
  615   1HZ   LYS  84          3HZ       LYS  84  14.085  -2.955  -2.955
  616   2HZ   LYS  84          2HZ       LYS  84  15.176  -2.641  -2.641
  617   3HZ   LYS  84          1HZ       LYS  84  15.576  -2.350  -2.350
  618    H    GLU  85           HN       GLU  85  14.548  -5.642  -5.642
  619    HA   GLU  85           HA       GLU  85  16.718  -6.596  -6.596
  620   1HB   GLU  85          2HB       GLU  85  14.706  -7.896  -7.896
  621   2HB   GLU  85          1HB       GLU  85  13.699  -6.747  -6.747
  622   1HG   GLU  85          2HG       GLU  85  14.902  -7.318  -7.318
  623   2HG   GLU  85          1HG       GLU  85  15.883  -8.481  -8.481
  624    H    LYS  86           HN       LYS  86  13.885  -4.677  -4.677
  625    HA   LYS  86           HA       LYS  86  15.118  -4.386  -4.386
  626   1HB   LYS  86          1HB       LYS  86  12.817  -2.853  -2.853
  627   2HB   LYS  86          2HB       LYS  86  13.316  -2.776  -2.776
  628   1HG   LYS  86          2HG       LYS  86  13.037  -5.313  -5.313
  629   2HG   LYS  86          1HG       LYS  86  12.388  -5.262  -5.262
  630   1HD   LYS  86          2HD       LYS  86  10.565  -5.375  -5.375
  631   2HD   LYS  86          1HD       LYS  86  10.550  -3.804  -3.804
  632   1HE   LYS  86          1HE       LYS  86   9.991  -3.638  -3.638
  633   2HE   LYS  86          2HE       LYS  86  11.484  -2.755  -2.755
  634   1HZ   LYS  86          2HZ       LYS  86  11.314  -5.465  -5.465
  635   2HZ   LYS  86          1HZ       LYS  86  11.631  -4.091  -4.091
  636   3HZ   LYS  86          3HZ       LYS  86  12.705  -4.622  -4.622
  637    H    LEU  87           H        LEU  87  15.233  -2.221  -2.221
  638    HA   LEU  87           HA       LEU  87  16.658  -0.172  -0.172
  639   1HB   LEU  87          2HB       LEU  87  14.934   0.291   0.291
  640   2HB   LEU  87          1HB       LEU  87  16.075  -0.362  -0.362
  641    HG   LEU  87           HG       LEU  87  17.631   1.458   1.458
  642   1HD1  LEU  87          2HD2      LEU  87  15.673   2.361   2.361
  643   2HD1  LEU  87          1HD2      LEU  87  16.949   3.390   3.390
  644   3HD1  LEU  87          3HD2      LEU  87  17.387   1.935   1.935
  645   1HD2  LEU  87          2HD1      LEU  87  15.774   1.776   1.776
  646   2HD2  LEU  87          3HD1      LEU  87  16.291   3.295   3.295
  647   3HD2  LEU  87          1HD1      LEU  87  14.794   2.507   2.507
  648    H    ASP  88           HN       ASP  88  17.601  -3.137  -3.137
  649    HA   ASP  88           HA       ASP  88  19.384  -4.041  -4.041
  650   1HB   ASP  88          2HB       ASP  88  20.034  -3.804  -3.804
  651   2HB   ASP  88          1HB       ASP  88  20.549  -2.141  -2.141
  652    H    ASP  89           HN       ASP  89  18.427  -2.546  -2.546
  653    HA   ASP  89           HA       ASP  89  20.738  -1.184  -1.184
  654   1HB   ASP  89          2HB       ASP  89  19.613   0.628   0.628
  655   2HB   ASP  89          1HB       ASP  89  18.060   0.091   0.091
  656    H    LYS  90           HN       LYS  90  20.941  -2.024  -2.024
  657    HA   LYS  90           HA       LYS  90  19.071  -3.590  -3.590
  658   1HB   LYS  90          2HB       LYS  90  21.553  -3.639  -3.639
  659   2HB   LYS  90          1HB       LYS  90  21.489  -2.068  -2.068
  660   1HG   LYS  90          2HG       LYS  90  20.096  -3.074  -3.074
  661   2HG   LYS  90          1HG       LYS  90  20.118  -4.631  -4.631
  662   1HD   LYS  90          1HD       LYS  90  22.612  -4.674  -4.674
  663   2HD   LYS  90          2HD       LYS  90  22.567  -3.156  -3.156
  664   1HE   LYS  90          1HE       LYS  90  21.257  -5.791  -5.791
  665   2HE   LYS  90          2HE       LYS  90  22.780  -5.145  -5.145
  666   1HZ   LYS  90          2HZ       LYS  90  21.572  -3.251  -3.251
  667   2HZ   LYS  90          3HZ       LYS  90  20.149  -3.875  -3.875
  668   3HZ   LYS  90          1HZ       LYS  90  20.985  -4.654  -4.654
  669    H    LYS  91           HN       LYS  91  19.607  -0.055  -0.055
  670    HA   LYS  91           HA       LYS  91  18.055   0.310   0.310
  671   1HB   LYS  91          2HB       LYS  91  19.176   2.330   2.330
  672   2HB   LYS  91          1HB       LYS  91  18.448   2.715   2.715
  673   1HG   LYS  91          1HG       LYS  91  20.232   1.646   1.646
  674   2HG   LYS  91          2HG       LYS  91  20.906   0.941   0.941
  675   1HD   LYS  91          1HD       LYS  91  22.232   2.829   2.829
  676   2HD   LYS  91          2HD       LYS  91  21.580   3.104   3.104
  677   1HE   LYS  91          2HE       LYS  91  20.168   4.199   4.199
  678   2HE   LYS  91          1HE       LYS  91  21.554   5.039   5.039
  679   1HZ   LYS  91          3HZ       LYS  91  20.405   5.175   5.175
  680   2HZ   LYS  91          1HZ       LYS  91  19.086   4.410   4.410
  681   3HZ   LYS  91          2HZ       LYS  91  19.527   5.882   5.882
  682    H    ALA  92           H        ALA  92  17.035  -0.553  -0.553
  683    HA   ALA  92           HA       ALA  92  14.897   1.377   1.377
  684   1HB   ALA  92          3HB       ALA  92  15.968   0.197   0.197
  685   2HB   ALA  92          1HB       ALA  92  15.171  -1.292  -1.292
  686   3HB   ALA  92          2HB       ALA  92  14.201   0.097   0.097
  687    H    LYS  93           HN       LYS  93  14.272   1.018   1.018
  688    HA   LYS  93           HA       LYS  93  12.547  -1.371  -1.371
  689   1HB   LYS  93          1HB       LYS  93  14.100  -0.662  -0.662
  690   2HB   LYS  93          2HB       LYS  93  13.327   0.935   0.935
  691   1HG   LYS  93          2HG       LYS  93  11.171  -0.141  -0.141
  692   2HG   LYS  93          1HG       LYS  93  11.957  -1.731  -1.731
  693   1HD   LYS  93          2HD       LYS  93  13.414  -0.966  -0.966
  694   2HD   LYS  93          1HD       LYS  93  12.675   0.644   0.644
  695   1HE   LYS  93          2HE       LYS  93  11.196  -1.962  -1.962
  696   2HE   LYS  93          1HE       LYS  93  11.708  -0.754  -0.754
  697   1HZ   LYS  93          2HZ       LYS  93  10.278   0.831   0.831
  698   2HZ   LYS  93          1HZ       LYS  93   9.759  -0.301  -0.301
  699   3HZ   LYS  93          3HZ       LYS  93   9.430  -0.479  -0.479
  700    H    THR  94           H        THR  94  10.269  -1.248  -1.248
  701    HA   THR  94           HA       THR  94   9.059   1.306   1.306
  702    HB   THR  94           HB       THR  94   8.321  -0.683  -0.683
  703    HG1  THR  94           HG1      THR  94   6.185  -0.267  -0.267
  704   1HG2  THR  94          2HG2      THR  94   8.690  -2.425  -2.425
  705   2HG2  THR  94          1HG2      THR  94   7.327  -1.755  -1.755
  706   3HG2  THR  94          3HG2      THR  94   7.062  -2.467  -2.467
  707    H    GLY  95           H        GLY  95   7.354   2.248   2.248
  708   1HA   GLY  95          1HA       GLY  95   7.468   2.191   2.191
  709   2HA   GLY  95          2HA       GLY  95   6.232   2.967   2.967
  710    H    MET  96           H        MET  96   5.751   0.340   0.340
  711    HA   MET  96           HA       MET  96   3.628  -0.582  -0.582
  712   1HB   MET  96          1HB       MET  96   3.756  -0.647  -0.647
  713   2HB   MET  96          2HB       MET  96   4.831  -2.016  -2.016
  714   1HG   MET  96          1HG       MET  96   3.240  -3.424  -3.424
  715   2HG   MET  96          2HG       MET  96   2.287  -2.139  -2.139
  716   1HE   MET  96          3HE       MET  96   3.399  -3.063  -3.063
  717   2HE   MET  96          2HE       MET  96   2.657  -4.544  -4.544
  718   3HE   MET  96          1HE       MET  96   1.826  -3.628  -3.628
  719    H    ALA  97           H        ALA  97   4.768  -1.059  -1.059
  720    HA   ALA  97           HA       ALA  97   6.276  -3.536  -3.536
  721   1HB   ALA  97          2HB       ALA  97   6.533  -1.677  -1.677
  722   2HB   ALA  97          1HB       ALA  97   4.842  -1.865  -1.865
  723   3HB   ALA  97          3HB       ALA  97   6.018  -3.161  -3.161
  724    H    PHE  98           H        PHE  98   4.365  -4.416  -4.416
  725    HA   PHE  98           HA       PHE  98   2.782  -6.316  -6.316
  726   1HB   PHE  98          2HB       PHE  98   1.203  -4.551  -4.551
  727   2HB   PHE  98          1HB       PHE  98   1.618  -3.871  -3.871
  728    HD1  PHE  98           HD2      PHE  98  -0.284  -6.636  -6.636
  729    HD2  PHE  98           HD1      PHE  98   0.728  -4.666  -4.666
  730    HE1  PHE  98           HE2      PHE  98  -2.036  -7.931  -7.931
  731    HE2  PHE  98           HE1      PHE  98  -0.972  -5.987  -5.987
  732    HZ   PHE  98           HZ       PHE  98  -2.426  -7.581  -7.581
  733    H    LYS  99           HN       LYS  99   2.115  -8.005  -8.005
  734    HA   LYS  99           HA       LYS  99   2.660  -7.671  -7.671
  735   1HB   LYS  99          2HB       LYS  99   3.659 -10.276 -10.276
  736   2HB   LYS  99          1HB       LYS  99   4.444  -9.000  -9.000
  737   1HG   LYS  99          2HG       LYS  99   5.242  -8.060  -8.060
  738   2HG   LYS  99          1HG       LYS  99   4.536  -9.510  -9.510
  739   1HD   LYS  99          2HD       LYS  99   5.962 -10.921 -10.921
  740   2HD   LYS  99          1HD       LYS  99   6.681  -9.446  -9.446
  741   1HE   LYS  99          1HE       LYS  99   7.511  -8.832  -8.832
  742   2HE   LYS  99          2HE       LYS  99   6.837 -10.343 -10.343
  743   1HZ   LYS  99          1HZ       LYS  99   8.281 -11.536 -11.536
  744   2HZ   LYS  99          2HZ       LYS  99   8.905 -10.128 -10.128
  745   3HZ   LYS  99          3HZ       LYS  99   9.151 -10.543 -10.543
  746    H    LEU 100           H        LEU 100   1.487  -9.259  -9.259
  747    HA   LEU 100           HA       LEU 100  -0.409 -10.941 -10.941
  748   1HB   LEU 100          1HB       LEU 100  -1.441  -8.941  -8.941
  749   2HB   LEU 100          2HB       LEU 100  -0.813  -9.465  -9.465
  750    HG   LEU 100           HG       LEU 100  -2.135 -11.558 -11.558
  751   1HD1  LEU 100          2HD2      LEU 100  -3.294 -10.369 -10.369
  752   2HD1  LEU 100          3HD2      LEU 100  -3.971 -11.745 -11.745
  753   3HD1  LEU 100          1HD2      LEU 100  -2.389 -11.895 -11.895
  754   1HD2  LEU 100          2HD1      LEU 100  -3.007  -9.527  -9.527
  755   2HD2  LEU 100          3HD1      LEU 100  -4.302 -10.517 -10.517
  756   3HD2  LEU 100          1HD1      LEU 100  -3.790  -9.033  -9.033
  757    H    ALA 101           H        ALA 101   0.431 -13.004 -13.004
  758    HA   ALA 101           HA       ALA 101   2.122 -13.629 -13.629
  759   1HB   ALA 101          3HB       ALA 101   2.619 -14.441 -14.441
  760   2HB   ALA 101          1HB       ALA 101   1.109 -15.382 -15.382
  761   3HB   ALA 101          2HB       ALA 101   2.409 -15.777 -15.777
  762    H    LYS 102           HN       LYS 102  -0.252 -12.874 -12.874
  763    HA   LYS 102           HA       LYS 102  -1.066 -14.773 -14.773
  764   1HB   LYS 102          2HB       LYS 102  -3.305 -15.413 -15.413
  765   2HB   LYS 102          1HB       LYS 102  -2.135 -16.067 -16.067
  766   1HG   LYS 102          2HG       LYS 102  -2.555 -14.194 -14.194
  767   2HG   LYS 102          1HG       LYS 102  -3.769 -13.521 -13.521
  768   1HD   LYS 102          1HD       LYS 102  -3.860 -16.209 -16.209
  769   2HD   LYS 102          2HD       LYS 102  -4.839 -14.779 -14.779
  770   1HE   LYS 102          2HE       LYS 102  -5.009 -16.606 -16.606
  771   2HE   LYS 102          1HE       LYS 102  -6.227 -16.326 -16.326
  772   1HZ   LYS 102          1HZ       LYS 102  -6.371 -14.036 -14.036
  773   2HZ   LYS 102          3HZ       LYS 102  -5.307 -14.369 -14.369
  774   3HZ   LYS 102          2HZ       LYS 102  -6.768 -15.126 -15.126
  775    H    GLY 103           H        GLY 103  -3.643 -13.911 -13.911
  776   1HA   GLY 103          1HA       GLY 103  -5.017 -12.125 -12.125
  777   2HA   GLY 103          2HA       GLY 103  -3.996 -11.087 -11.087
  778    H    GLY 104           H        GLY 104  -1.666 -10.964 -10.964
  779   1HA   GLY 104          1HA       GLY 104  -1.075  -9.112  -9.112
  780   2HA   GLY 104          2HA       GLY 104  -0.399 -10.657 -10.657
  781    H    GLU 105           HN       GLU 105  -1.980 -11.916 -11.916
  782    HA   GLU 105           HA       GLU 105  -2.203 -10.418 -10.418
  783   1HB   GLU 105          2HB       GLU 105  -3.380 -12.486 -12.486
  784   2HB   GLU 105          1HB       GLU 105  -1.721 -12.679 -12.679
  785   1HG   GLU 105          2HG       GLU 105  -4.044 -13.376 -13.376
  786   2HG   GLU 105          1HG       GLU 105  -3.480 -14.469 -14.469
  787    H    ASP 106           HN       ASP 106  -4.743 -11.647 -11.647
  788    HA   ASP 106           HA       ASP 106  -6.907 -10.594 -10.594
  789   1HB   ASP 106          1HB       ASP 106  -8.377 -11.305 -11.305
  790   2HB   ASP 106          2HB       ASP 106  -7.289 -12.609 -12.609
  791    H    VAL 107           H        VAL 107  -5.092  -9.582  -9.582
  792    HA   VAL 107           HA       VAL 107  -6.625  -7.237  -7.237
  793    HB   VAL 107           HB       VAL 107  -3.739  -8.051  -8.051
  794   1HG1  VAL 107          3HG2      VAL 107  -5.236  -5.637  -5.637
  795   2HG1  VAL 107          1HG2      VAL 107  -3.688  -6.288  -6.288
  796   3HG1  VAL 107          2HG2      VAL 107  -3.781  -5.600  -5.600
  797   1HG2  VAL 107          3HG1      VAL 107  -5.557  -9.375  -9.375
  798   2HG2  VAL 107          1HG1      VAL 107  -4.591  -8.450  -8.450
  799   3HG2  VAL 107          2HG1      VAL 107  -6.202  -7.876  -7.876
  800    H    ALA 108           H        ALA 108  -3.687  -7.722  -7.722
  801    HA   ALA 108           HA       ALA 108  -3.456  -5.028  -5.028
  802   1HB   ALA 108          2HB       ALA 108  -2.666  -7.604  -7.604
  803   2HB   ALA 108          1HB       ALA 108  -2.136  -5.963  -5.963
  804   3HB   ALA 108          3HB       ALA 108  -1.667  -6.668  -6.668
  805    H    ALA 109           H        ALA 109  -5.209  -7.839  -7.839
  806    HA   ALA 109           HA       ALA 109  -6.287  -6.481  -6.481
  807   1HB   ALA 109          2HB       ALA 109  -6.385  -8.902  -8.902
  808   2HB   ALA 109          1HB       ALA 109  -7.527  -8.743  -8.743
  809   3HB   ALA 109          3HB       ALA 109  -8.006  -8.237  -8.237
  810    H    TYR 110           H        TYR 110  -7.567  -6.747  -6.747
  811    HA   TYR 110           HA       TYR 110  -9.930  -5.242  -5.242
  812   1HB   TYR 110          1HB       TYR 110  -9.719  -6.473  -6.473
  813   2HB   TYR 110          2HB       TYR 110  -8.232  -5.658  -5.658
  814    HD1  TYR 110           HD2      TYR 110 -11.796  -4.781  -4.781
  815    HD2  TYR 110           HD1      TYR 110  -8.342  -3.913  -3.913
  816    HE1  TYR 110           HE2      TYR 110 -13.046  -2.970  -2.970
  817    HE2  TYR 110           HE1      TYR 110  -9.603  -2.122  -2.122
  818    HH   TYR 110           HH       TYR 110 -11.621  -1.067  -1.067
  819    H    LEU 111           H        LEU 111  -6.674  -4.138  -4.138
  820    HA   LEU 111           HA       LEU 111  -7.343  -1.401  -1.401
  821   1HB   LEU 111          1HB       LEU 111  -4.713  -2.847  -2.847
  822   2HB   LEU 111          2HB       LEU 111  -4.793  -1.082  -1.082
  823    HG   LEU 111           HG       LEU 111  -6.002  -2.758  -2.758
  824   1HD1  LEU 111          2HD1      LEU 111  -3.190  -1.604  -1.604
  825   2HD1  LEU 111          3HD1      LEU 111  -3.943  -2.301  -2.301
  826   3HD1  LEU 111          1HD1      LEU 111  -3.634  -3.331  -3.331
  827   1HD2  LEU 111          1HD2      LEU 111  -5.083   0.151   0.151
  828   2HD2  LEU 111          2HD2      LEU 111  -6.764  -0.395  -0.395
  829   3HD2  LEU 111          3HD2      LEU 111  -5.656  -0.633  -0.633
  830    H    ALA 112           H        ALA 112  -6.196  -3.314  -3.314
  831    HA   ALA 112           HA       ALA 112  -6.214  -1.074  -1.074
  832   1HB   ALA 112          1HB       ALA 112  -5.239  -3.278  -3.278
  833   2HB   ALA 112          2HB       ALA 112  -6.861  -3.996  -3.996
  834   3HB   ALA 112          3HB       ALA 112  -6.427  -2.744  -2.744
  835    H    SER 113           H        SER 113  -8.788  -3.454  -3.454
  836    HA   SER 113           HA       SER 113 -10.832  -2.417  -2.417
  837   1HB   SER 113          1HB       SER 113 -11.182  -3.724  -3.724
  838   2HB   SER 113          2HB       SER 113 -12.373  -3.622  -3.622
  839    HG   SER 113           HG       SER 113  -9.886  -5.010  -5.010
  840    H    VAL 114           H        VAL 114  -9.772  -1.302  -1.302
  841    HA   VAL 114           HA       VAL 114 -11.959   0.341   0.341
  842    HB   VAL 114           HB       VAL 114  -9.034   0.140   0.140
  843   1HG1  VAL 114          1HG2      VAL 114 -10.933   2.163   2.163
  844   2HG1  VAL 114          3HG2      VAL 114  -9.355   1.702   1.702
  845   3HG1  VAL 114          2HG2      VAL 114  -9.405   2.481   2.481
  846   1HG2  VAL 114          2HG1      VAL 114 -10.812  -1.513  -1.513
  847   2HG2  VAL 114          3HG1      VAL 114  -9.844  -0.699  -0.699
  848   3HG2  VAL 114          1HG1      VAL 114 -11.504  -0.160  -0.160
  849    H    VAL 115           H        VAL 115  -9.263   0.881   0.881
  850    HA   VAL 115           HA       VAL 115  -9.512   3.770   3.770
  851    HB   VAL 115           HB       VAL 115  -8.261   2.009   2.009
  852   1HG1  VAL 115          2HG1      VAL 115  -7.844   4.947   4.947
  853   2HG1  VAL 115          3HG1      VAL 115  -6.923   4.045   4.045
  854   3HG1  VAL 115          1HG1      VAL 115  -8.641   4.359   4.359
  855   1HG2  VAL 115          2HG2      VAL 115  -7.089   3.245   3.245
  856   2HG2  VAL 115          1HG2      VAL 115  -7.183   1.518   1.518
  857   3HG2  VAL 115          3HG2      VAL 115  -6.115   2.570   2.570
  858    H    LYS 116           HN       LYS 116 -11.822   3.977   3.977
  859    HA   LYS 116           HA       LYS 116 -12.778   4.646   4.646
  860   1HB   LYS 116          1HB       LYS 116 -14.842   3.163   3.163
  861   2HB   LYS 116          2HB       LYS 116 -13.344   2.373   2.373
  862   1HG   LYS 116          2HG       LYS 116 -14.261   0.873   0.873
  863   2HG   LYS 116          1HG       LYS 116 -13.038   1.690   1.690
  864   1HD   LYS 116          2HD       LYS 116 -14.997   3.219   3.219
  865   2HD   LYS 116          1HD       LYS 116 -16.055   2.002   2.002
  866   1HE   LYS 116          2HE       LYS 116 -13.980   1.676   1.676
  867   2HE   LYS 116          1HE       LYS 116 -15.734   1.513   1.513
  868   1HZ   LYS 116          1HZ       LYS 116 -15.582  -0.422  -0.422
  869   2HZ   LYS 116          3HZ       LYS 116 -13.937  -0.274  -0.274
  870   3HZ   LYS 116          2HZ       LYS 116 -14.688  -0.612  -0.612
  871    HHA  HEC 117           HHA      HEM 117   2.796   2.396   2.396
  872    HHB  HEC 117           HHB      HEM 117  -0.932  -2.287  -2.287
  873    HHC  HEC 117           HHC      HEM 117  -2.601  -3.811  -3.811
  874    HHD  HEC 117           HHD      HEM 117   1.405   0.683   0.683
  875   1HMA  HEC 117          1HMA      HEM 117  -0.262  -0.762  -0.762
  876   2HMA  HEC 117          2HMA      HEM 117   1.168  -1.814  -1.814
  877   3HMA  HEC 117          3HMA      HEM 117   1.357  -0.157  -0.157
  878   1HAA  HEC 117          1HAA      HEM 117   3.275   2.112   2.112
  879   2HAA  HEC 117          2HAA      HEM 117   2.946   1.137   1.137
  880   1HBA  HEC 117          1HBA      HEM 117   1.001   3.219   3.219
  881   2HBA  HEC 117          2HBA      HEM 117   0.904   2.340   2.340
  882   1HMB  HEC 117          1HMB      HEM 117  -3.268  -2.925  -2.925
  883   2HMB  HEC 117          2HMB      HEM 117  -3.942  -4.386  -4.386
  884   3HMB  HEC 117          3HMB      HEM 117  -2.309  -4.421  -4.421
  885    HAB  HEC 117           HAB      HEM 117  -3.879  -4.913  -4.913
  886   1HBB  HEC 117          1HBB      HEM 117  -2.554  -6.609  -6.609
  887   2HBB  HEC 117          2HBB      HEM 117  -3.504  -6.271  -6.271
  888   3HBB  HEC 117          3HBB      HEM 117  -4.303  -6.925  -6.925
  889   1HMC  HEC 117          1HMC      HEM 117  -3.425  -2.986  -2.986
  890   2HMC  HEC 117          2HMC      HEM 117  -2.556  -2.769  -2.769
  891   3HMC  HEC 117          3HMC      HEM 117  -2.119  -4.109  -4.109
  892    HAC  HEC 117           HAC      HEM 117   0.058   0.180   0.180
  893   1HBC  HEC 117          1HBC      HEM 117  -0.125  -1.177  -1.177
  894   2HBC  HEC 117          2HBC      HEM 117  -0.772  -2.541  -2.541
  895   3HBC  HEC 117          3HBC      HEM 117   0.892  -1.994  -1.994
  896   1HMD  HEC 117          1HMD      HEM 117   2.097   3.385   3.385
  897   2HMD  HEC 117          2HMD      HEM 117   3.197   2.031   2.031
  898   3HMD  HEC 117          3HMD      HEM 117   3.778   3.436   3.436
  899   1HAD  HEC 117          1HAD      HEM 117   3.325   4.149   4.149
  900   2HAD  HEC 117          2HAD      HEM 117   3.862   4.295   4.295
  901   1HBD  HEC 117          1HBD      HEM 117   5.356   2.234   2.234
  902   2HBD  HEC 117          2HBD      HEM 117   5.079   2.605   2.605

  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -5.812 -10.702 -10.702
    2   2H    GLY   1          2H        GLY   1  -6.071 -11.338 -11.338
    3   1HA   GLY   1          1HA       GLY   1  -6.669 -13.465 -13.465
    4   2HA   GLY   1          2HA       GLY   1  -6.511 -12.724 -12.724
    5    H    ASP   2           HN       ASP   2  -8.661 -12.864 -12.864
    6    HA   ASP   2           HA       ASP   2 -10.867 -12.047 -12.047
    7   1HB   ASP   2          1HB       ASP   2 -11.069 -14.231 -14.231
    8   2HB   ASP   2          2HB       ASP   2 -10.902 -13.438 -13.438
    9    H    ALA   3           H        ALA   3 -10.909  -9.925  -9.925
   10    HA   ALA   3           HA       ALA   3 -10.359  -8.050  -8.050
   11   1HB   ALA   3          2HB       ALA   3 -12.721  -8.106  -8.106
   12   2HB   ALA   3          3HB       ALA   3 -12.110  -6.651  -6.651
   13   3HB   ALA   3          1HB       ALA   3 -11.080  -7.514  -7.514
   14    H    ALA   4           H        ALA   4 -13.241 -10.200 -10.200
   15    HA   ALA   4           HA       ALA   4 -14.653  -8.705  -8.705
   16   1HB   ALA   4          3HB       ALA   4 -15.763 -10.338 -10.338
   17   2HB   ALA   4          2HB       ALA   4 -14.868 -11.659 -11.659
   18   3HB   ALA   4          1HB       ALA   4 -16.027 -10.696 -10.696
   19    H    LYS   5           HN       LYS   5 -12.322 -11.435 -11.435
   20    HA   LYS   5           HA       LYS   5 -12.438 -11.864 -11.864
   21   1HB   LYS   5          1HB       LYS   5 -10.332 -12.621 -12.621
   22   2HB   LYS   5          2HB       LYS   5 -10.318 -13.097 -13.097
   23   1HG   LYS   5          1HG       LYS   5 -12.484 -14.257 -14.257
   24   2HG   LYS   5          2HG       LYS   5 -12.506 -13.800 -13.800
   25   1HD   LYS   5          2HD       LYS   5 -10.250 -14.984 -14.984
   26   2HD   LYS   5          1HD       LYS   5 -10.465 -15.596 -15.596
   27   1HE   LYS   5          2HE       LYS   5 -12.341 -16.080 -16.080
   28   2HE   LYS   5          1HE       LYS   5 -11.176 -17.241 -17.241
   29   1HZ   LYS   5          3HZ       LYS   5 -12.386 -17.192 -17.192
   30   2HZ   LYS   5          1HZ       LYS   5 -13.485 -16.136 -16.136
   31   3HZ   LYS   5          2HZ       LYS   5 -13.357 -17.658 -17.658
   32    H    GLY   6           H        GLY   6 -10.520  -9.954  -9.954
   33   1HA   GLY   6          1HA       GLY   6  -8.615  -8.835  -8.835
   34   2HA   GLY   6          2HA       GLY   6  -9.286  -8.032  -8.032
   35    H    GLU   7           HN       GLU   7 -11.854  -7.529  -7.529
   36    HA   GLU   7           HA       GLU   7 -11.857  -5.335  -5.335
   37   1HB   GLU   7          2HB       GLU   7 -13.456  -5.706  -5.706
   38   2HB   GLU   7          1HB       GLU   7 -14.274  -6.958  -6.958
   39   1HG   GLU   7          1HG       GLU   7 -15.017  -5.390  -5.390
   40   2HG   GLU   7          2HG       GLU   7 -13.877  -4.153  -4.153
   41    H    LYS   8           HN       LYS   8 -13.140  -8.658  -8.658
   42    HA   LYS   8           HA       LYS   8 -14.115  -8.249  -8.249
   43   1HB   LYS   8          1HB       LYS   8 -12.996 -10.711 -10.711
   44   2HB   LYS   8          2HB       LYS   8 -13.735 -10.748 -10.748
   45   1HG   LYS   8          2HG       LYS   8 -15.865 -10.062 -10.062
   46   2HG   LYS   8          1HG       LYS   8 -15.213  -9.531  -9.531
   47   1HD   LYS   8          2HD       LYS   8 -16.438 -11.614 -11.614
   48   2HD   LYS   8          1HD       LYS   8 -14.733 -11.816 -11.816
   49   1HE   LYS   8          2HE       LYS   8 -14.303 -12.888 -12.888
   50   2HE   LYS   8          1HE       LYS   8 -15.993 -12.616 -12.616
   51   1HZ   LYS   8          2HZ       LYS   8 -15.080 -14.273 -14.273
   52   2HZ   LYS   8          3HZ       LYS   8 -15.620 -14.828 -14.828
   53   3HZ   LYS   8          1HZ       LYS   8 -16.650 -14.034 -14.034
   54    H    GLU   9           HN       GLU   9 -10.863  -9.402  -9.402
   55    HA   GLU   9           HA       GLU   9  -9.722  -9.560  -9.560
   56   1HB   GLU   9          2HB       GLU   9  -8.820 -10.442 -10.442
   57   2HB   GLU   9          1HB       GLU   9  -8.292  -8.789  -8.789
   58   1HG   GLU   9          2HG       GLU   9  -6.412  -9.963  -9.963
   59   2HG   GLU   9          1HG       GLU   9  -6.941  -8.912  -8.912
   60    H    PHE  10           H        PHE  10 -10.120  -6.822  -6.822
   61    HA   PHE  10           HA       PHE  10  -8.551  -4.988  -4.988
   62   1HB   PHE  10          2HB       PHE  10  -9.954  -4.848  -4.848
   63   2HB   PHE  10          1HB       PHE  10 -11.076  -3.966  -3.966
   64    HD1  PHE  10           HD2      PHE  10 -10.223  -1.856  -1.856
   65    HD2  PHE  10           HD1      PHE  10  -7.807  -4.007  -4.007
   66    HE1  PHE  10           HE2      PHE  10  -8.520  -0.045  -0.045
   67    HE2  PHE  10           HE1      PHE  10  -6.150  -2.167  -2.167
   68    HZ   PHE  10           HZ       PHE  10  -6.480  -0.212  -0.212
   69    H    ASN  11           H        ASN  11 -11.567  -6.332  -6.332
   70    HA   ASN  11           HA       ASN  11 -12.516  -4.321  -4.321
   71   1HB   ASN  11          1HB       ASN  11 -13.699  -6.449  -6.449
   72   2HB   ASN  11          2HB       ASN  11 -12.385  -7.330  -7.330
   73   1HD2  ASN  11          1HD2      ASN  11 -14.976  -5.125  -5.125
   74   2HD2  ASN  11          2HD2      ASN  11 -14.804  -4.710  -4.710
   75    H    LYS  12           HN       LYS  12  -9.628  -6.398  -6.398
   76    HA   LYS  12           HA       LYS  12  -9.108  -5.495  -5.495
   77   1HB   LYS  12          1HB       LYS  12  -7.372  -7.115  -7.115
   78   2HB   LYS  12          2HB       LYS  12  -7.083  -6.798  -6.798
   79   1HG   LYS  12          1HG       LYS  12  -7.933  -8.917  -8.917
   80   2HG   LYS  12          2HG       LYS  12  -9.370  -7.961  -7.961
   81   1HD   LYS  12          1HD       LYS  12 -10.192  -8.232  -8.232
   82   2HD   LYS  12          2HD       LYS  12  -8.668  -8.994  -8.994
   83   1HE   LYS  12          1HE       LYS  12 -10.636 -10.078 -10.078
   84   2HE   LYS  12          2HE       LYS  12 -10.593 -10.553 -10.553
   85   1HZ   LYS  12          3HZ       LYS  12  -8.350 -11.310 -11.310
   86   2HZ   LYS  12          1HZ       LYS  12  -8.412 -10.961 -10.961
   87   3HZ   LYS  12          2HZ       LYS  12  -9.399 -12.120 -12.120
   88    H    CYS  13           H        CYS  13  -7.683  -5.211  -5.211
   89    HA   CYS  13           HA       CYS  13  -5.503  -3.585  -3.585
   90   1HB   CYS  13          2HB       CYS  13  -6.436  -4.741  -4.741
   91   2HB   CYS  13          1HB       CYS  13  -7.398  -3.257  -3.257
   92    H    LYS  14           HN       LYS  14  -8.889  -2.513  -2.513
   93    HA   LYS  14           HA       LYS  14  -8.608   0.198   0.198
   94   1HB   LYS  14          2HB       LYS  14 -10.862   0.416   0.416
   95   2HB   LYS  14          1HB       LYS  14 -10.695  -1.061  -1.061
   96   1HG   LYS  14          2HG       LYS  14 -11.876  -1.940  -1.940
   97   2HG   LYS  14          1HG       LYS  14 -10.257  -2.146  -2.146
   98   1HD   LYS  14          1HD       LYS  14 -10.581  -0.016  -0.016
   99   2HD   LYS  14          2HD       LYS  14 -12.161   0.186   0.186
  100   1HE   LYS  14          2HE       LYS  14 -12.338  -0.755  -0.755
  101   2HE   LYS  14          1HE       LYS  14 -12.966  -1.887  -1.887
  102   1HZ   LYS  14          1HZ       LYS  14 -10.261  -2.040  -2.040
  103   2HZ   LYS  14          2HZ       LYS  14 -11.564  -2.917  -2.917
  104   3HZ   LYS  14          3HZ       LYS  14 -10.980  -3.123  -3.123
  105    H    THR  15           H        THR  15  -7.861  -1.669  -1.669
  106    HA   THR  15           HA       THR  15  -8.244   0.358   0.358
  107    HB   THR  15           HB       THR  15  -6.293  -1.980  -1.980
  108    HG1  THR  15           HG1      THR  15  -8.213  -2.868  -2.868
  109   1HG2  THR  15          2HG2      THR  15  -7.761  -0.459  -0.459
  110   2HG2  THR  15          1HG2      THR  15  -6.812  -1.940  -1.940
  111   3HG2  THR  15          3HG2      THR  15  -6.007  -0.453  -0.453
  112    H    CYS  16           H        CYS  16  -5.780  -0.099  -0.099
  113    HA   CYS  16           HA       CYS  16  -4.122   2.061   2.061
  114   1HB   CYS  16          2HB       CYS  16  -3.428  -0.396  -0.396
  115   2HB   CYS  16          1HB       CYS  16  -2.380   1.024   1.024
  116    H    HIS  17           HN       HIS  17  -5.620   0.843   0.843
  117    HA   HIS  17           HA       HIS  17  -4.708   3.335   3.335
  118   1HB   HIS  17          1HB       HIS  17  -5.242   0.494   0.494
  119   2HB   HIS  17          2HB       HIS  17  -5.176   1.850   1.850
  120    HD1  HIS  17           HD1      HIS  17  -2.911   3.071   3.071
  121    HD2  HIS  17           HD2      HIS  17  -2.655  -0.260  -0.260
  122    HE1  HIS  17           HE1      HIS  17  -0.486   2.382   2.382
  123    H    SER  18           H        SER  18  -6.185   4.049   4.049
  124    HA   SER  18           HA       SER  18  -9.061   3.439   3.439
  125   1HB   SER  18          2HB       SER  18  -9.488   5.885   5.885
  126   2HB   SER  18          1HB       SER  18  -8.427   5.371   5.371
  127    HG   SER  18           HG       SER  18  -6.684   6.157   6.157
  128    H    ILE  19           H        ILE  19 -10.405   4.325   4.325
  129    HA   ILE  19           HA       ILE  19  -8.989   4.767   4.767
  130    HB   ILE  19           HB       ILE  19 -11.237   2.731   2.731
  131   1HG1  ILE  19          1HG1      ILE  19  -9.421   1.404   1.404
  132   2HG1  ILE  19          2HG1      ILE  19  -8.276   2.517   2.517
  133   1HG2  ILE  19          3HG2      ILE  19 -11.359   4.261   4.261
  134   2HG2  ILE  19          2HG2      ILE  19  -9.808   3.549   3.549
  135   3HG2  ILE  19          1HG2      ILE  19 -11.242   2.524   2.524
  136   1HD1  ILE  19          1HD1      ILE  19 -10.210   0.603   0.603
  137   2HD1  ILE  19          2HD1      ILE  19  -8.483   0.345   0.345
  138   3HD1  ILE  19          3HD1      ILE  19  -9.016   1.621   1.621
  139    H    ILE  20           H        ILE  20  -9.741   6.723   6.723
  140    HA   ILE  20           HA       ILE  20 -12.536   7.491   7.491
  141    HB   ILE  20           HB       ILE  20 -10.777   8.220   8.220
  142   1HG1  ILE  20          1HG1      ILE  20 -12.020  10.738  10.738
  143   2HG1  ILE  20          2HG1      ILE  20 -13.134   9.396   9.396
  144   1HG2  ILE  20          3HG2      ILE  20  -9.048   8.936   8.936
  145   2HG2  ILE  20          1HG2      ILE  20 -10.062  10.339  10.339
  146   3HG2  ILE  20          2HG2      ILE  20  -9.375  10.116  10.116
  147   1HD1  ILE  20          1HD1      ILE  20 -11.092  10.293  10.293
  148   2HD1  ILE  20          2HD1      ILE  20 -12.815  10.727  10.727
  149   3HD1  ILE  20          3HD1      ILE  20 -12.326   9.029   9.029
  150    H    ALA  21           H        ALA  21 -13.529   8.606   8.606
  151    HA   ALA  21           HA       ALA  21 -12.187   8.800   8.800
  152   1HB   ALA  21          3HB       ALA  21 -14.618   8.328   8.328
  153   2HB   ALA  21          1HB       ALA  21 -14.852   9.922   9.922
  154   3HB   ALA  21          2HB       ALA  21 -14.352   9.795   9.795
  155    HA   PRO  22           HA       PRO  22 -10.481  12.890  12.890
  156   1HB   PRO  22          1HB       PRO  22 -12.164  13.739  13.739
  157   2HB   PRO  22          2HB       PRO  22 -10.414  13.976  13.976
  158   1HG   PRO  22          1HG       PRO  22 -11.252  11.994  11.994
  159   2HG   PRO  22          2HG       PRO  22  -9.980  11.643  11.643
  160   1HD   PRO  22          2HD       PRO  22 -12.952  11.097  11.097
  161   2HD   PRO  22          1HD       PRO  22 -11.593   9.991   9.991
  162    H    ASP  23           HN       ASP  23 -13.966  12.853  12.853
  163    HA   ASP  23           HA       ASP  23 -14.650  15.412  15.412
  164   1HB   ASP  23          1HB       ASP  23 -16.171  14.261  14.261
  165   2HB   ASP  23          2HB       ASP  23 -16.131  12.800  12.800
  166    H    GLY  24           H        GLY  24 -13.512  12.675  12.675
  167   1HA   GLY  24          1HA       GLY  24 -13.123  12.707  12.707
  168   2HA   GLY  24          2HA       GLY  24 -14.445  13.841  13.841
  169    H    THR  25           H        THR  25 -15.700  11.618  11.618
  170    HA   THR  25           HA       THR  25 -17.419  10.400  10.400
  171    HB   THR  25           HB       THR  25 -17.013   8.981   8.981
  172    HG1  THR  25           HG1      THR  25 -17.609  11.752  11.752
  173   1HG2  THR  25          1HG2      THR  25 -19.117   8.913   8.913
  174   2HG2  THR  25          3HG2      THR  25 -19.327  10.662  10.662
  175   3HG2  THR  25          2HG2      THR  25 -19.378   9.550   9.550
  176    H    GLU  26           HN       GLU  26 -16.699   8.973   8.973
  177    HA   GLU  26           HA       GLU  26 -14.243   7.545   7.545
  178   1HB   GLU  26          2HB       GLU  26 -16.458   7.033   7.033
  179   2HB   GLU  26          1HB       GLU  26 -14.713   6.797   6.797
  180   1HG   GLU  26          2HG       GLU  26 -14.807   8.773   8.773
  181   2HG   GLU  26          1HG       GLU  26 -14.742   9.482   9.482
  182    H    ILE  27           H        ILE  27 -13.908   5.683   5.683
  183    HA   ILE  27           HA       ILE  27 -16.192   3.859   3.859
  184    HB   ILE  27           HB       ILE  27 -13.241   3.692   3.692
  185   1HG1  ILE  27          1HG1      ILE  27 -13.960   3.827   3.827
  186   2HG1  ILE  27          2HG1      ILE  27 -15.642   4.073   4.073
  187   1HG2  ILE  27          3HG2      ILE  27 -15.535   1.836   1.836
  188   2HG2  ILE  27          1HG2      ILE  27 -13.880   1.731   1.731
  189   3HG2  ILE  27          2HG2      ILE  27 -14.192   1.417   1.417
  190   1HD1  ILE  27          1HD1      ILE  27 -13.381   5.962   5.962
  191   2HD1  ILE  27          3HD1      ILE  27 -14.318   6.111   6.111
  192   3HD1  ILE  27          2HD1      ILE  27 -15.145   6.256   6.256
  193    H    VAL  28           H        VAL  28 -13.153   4.169   4.169
  194    HA   VAL  28           HA       VAL  28 -14.193   2.300   2.300
  195    HB   VAL  28           HB       VAL  28 -11.400   2.103   2.103
  196   1HG1  VAL  28          1HG2      VAL  28 -12.617   0.742   0.742
  197   2HG1  VAL  28          2HG2      VAL  28 -11.061   0.329   0.329
  198   3HG1  VAL  28          3HG2      VAL  28 -11.272   1.904   1.904
  199   1HG2  VAL  28          2HG1      VAL  28 -13.745   0.153   0.153
  200   2HG2  VAL  28          1HG1      VAL  28 -13.014   0.839   0.839
  201   3HG2  VAL  28          3HG1      VAL  28 -12.099  -0.304  -0.304
  202    H    LYS  29           HN       LYS  29 -14.555   3.817   3.817
  203    HA   LYS  29           HA       LYS  29 -12.846   6.142   6.142
  204   1HB   LYS  29          1HB       LYS  29 -15.368   6.083   6.083
  205   2HB   LYS  29          2HB       LYS  29 -15.148   5.068   5.068
  206   1HG   LYS  29          1HG       LYS  29 -13.890   6.908   6.908
  207   2HG   LYS  29          2HG       LYS  29 -13.951   7.858   7.858
  208   1HD   LYS  29          2HD       LYS  29 -15.614   8.709   8.709
  209   2HD   LYS  29          1HD       LYS  29 -16.448   7.922   7.922
  210   1HE   LYS  29          1HE       LYS  29 -16.887   5.932   5.932
  211   2HE   LYS  29          2HE       LYS  29 -15.934   6.625   6.625
  212   1HZ   LYS  29          2HZ       LYS  29 -18.404   7.754   7.754
  213   2HZ   LYS  29          3HZ       LYS  29 -18.271   6.935   6.935
  214   3HZ   LYS  29          1HZ       LYS  29 -17.530   8.395   8.395
  215    H    GLY  30           H        GLY  30 -11.091   4.268   4.268
  216   1HA   GLY  30          1HA       GLY  30 -10.828   3.043   3.043
  217   2HA   GLY  30          2HA       GLY  30  -9.795   2.809   2.809
  218    H    ALA  31           H        ALA  31  -8.260   3.170   3.170
  219    HA   ALA  31           HA       ALA  31  -7.898   5.947   5.947
  220   1HB   ALA  31          1HB       ALA  31  -7.379   3.938   3.938
  221   2HB   ALA  31          2HB       ALA  31  -6.032   3.582   3.582
  222   3HB   ALA  31          3HB       ALA  31  -6.026   5.074   5.074
  223    H    LYS  32           HN       LYS  32  -5.465   6.698   6.698
  224    HA   LYS  32           HA       LYS  32  -4.368   6.354   6.354
  225   1HB   LYS  32          1HB       LYS  32  -4.695   8.981   8.981
  226   2HB   LYS  32          2HB       LYS  32  -3.796   8.746   8.746
  227   1HG   LYS  32          1HG       LYS  32  -5.880   7.876   7.876
  228   2HG   LYS  32          2HG       LYS  32  -6.787   8.294   8.294
  229   1HD   LYS  32          2HD       LYS  32  -6.044  10.673  10.673
  230   2HD   LYS  32          1HD       LYS  32  -5.220  10.251  10.251
  231   1HE   LYS  32          2HE       LYS  32  -8.221   9.970   9.970
  232   2HE   LYS  32          1HE       LYS  32  -7.445  11.266  11.266
  233   1HZ   LYS  32          1HZ       LYS  32  -6.663   9.617   9.617
  234   2HZ   LYS  32          3HZ       LYS  32  -7.435   8.413   8.413
  235   3HZ   LYS  32          2HZ       LYS  32  -8.306   9.610   9.610
  236    H    THR  33           H        THR  33  -3.613   4.785   4.785
  237    HA   THR  33           HA       THR  33  -1.287   5.850   5.850
  238    HB   THR  33           HB       THR  33  -1.975   2.944   2.944
  239    HG1  THR  33           HG1      THR  33  -3.006   4.692   4.692
  240   1HG2  THR  33          2HG2      THR  33  -0.587   4.312   4.312
  241   2HG2  THR  33          3HG2      THR  33  -0.928   2.575   2.575
  242   3HG2  THR  33          1HG2      THR  33   0.209   3.352   3.352
  243    H    GLY  34           H        GLY  34  -2.140   4.258   4.258
  244   1HA   GLY  34          1HA       GLY  34   0.585   4.696   4.696
  245   2HA   GLY  34          2HA       GLY  34  -0.441   3.330   3.330
  246    HA   PRO  35           HA       PRO  35  -1.537   7.457   7.457
  247   1HB   PRO  35          1HB       PRO  35  -0.917   5.728   5.728
  248   2HB   PRO  35          2HB       PRO  35  -0.642   7.481   7.481
  249   1HG   PRO  35          2HG       PRO  35   1.382   5.676   5.676
  250   2HG   PRO  35          1HG       PRO  35   1.301   7.080   7.080
  251   1HD   PRO  35          1HD       PRO  35   0.621   4.232   4.232
  252   2HD   PRO  35          2HD       PRO  35   1.351   5.467   5.467
  253    H    ASN  36           H        ASN  36  -3.265   7.587   7.587
  254    HA   ASN  36           HA       ASN  36  -5.376   5.581   5.581
  255   1HB   ASN  36          1HB       ASN  36  -5.980   7.976   7.976
  256   2HB   ASN  36          2HB       ASN  36  -5.454   8.144   8.144
  257   1HD2  ASN  36          2HD2      ASN  36  -9.089   7.167   7.167
  258   2HD2  ASN  36          1HD2      ASN  36  -8.099   7.261   7.261
  259    H    LEU  37           H        LEU  37  -5.803   4.077   4.077
  260    HA   LEU  37           HA       LEU  37  -3.713   3.844   3.844
  261   1HB   LEU  37          2HB       LEU  37  -5.595   1.730   1.730
  262   2HB   LEU  37          1HB       LEU  37  -4.228   1.499   1.499
  263    HG   LEU  37           HG       LEU  37  -4.062   2.370   2.370
  264   1HD1  LEU  37          1HD1      LEU  37  -4.611  -0.016  -0.016
  265   2HD1  LEU  37          3HD1      LEU  37  -3.180  -0.177  -0.177
  266   3HD1  LEU  37          2HD1      LEU  37  -2.992   0.174   0.174
  267   1HD2  LEU  37          2HD2      LEU  37  -1.859   1.981   1.981
  268   2HD2  LEU  37          3HD2      LEU  37  -2.194   3.453   3.453
  269   3HD2  LEU  37          1HD2      LEU  37  -1.555   2.013   2.013
  270    H    TYR  38           H        TYR  38  -6.576   5.372   5.372
  271    HA   TYR  38           HA       TYR  38  -7.902   4.064   4.064
  272   1HB   TYR  38          2HB       TYR  38  -9.078   5.663   5.663
  273   2HB   TYR  38          1HB       TYR  38  -7.903   6.920   6.920
  274    HD1  TYR  38           HD1      TYR  38 -10.570   4.813   4.813
  275    HD2  TYR  38           HD2      TYR  38  -8.224   8.416   8.416
  276    HE1  TYR  38           HE1      TYR  38 -11.734   5.504   5.504
  277    HE2  TYR  38           HE2      TYR  38  -9.354   9.094   9.094
  278    HH   TYR  38           HH       TYR  38 -11.766   7.135   7.135
  279    H    GLY  39           H        GLY  39  -6.200   3.448   3.448
  280   1HA   GLY  39          1HA       GLY  39  -5.366   3.808   3.808
  281   2HA   GLY  39          2HA       GLY  39  -5.395   5.556   5.556
  282    H    VAL  40           H        VAL  40  -4.092   3.000   3.000
  283    HA   VAL  40           HA       VAL  40  -1.450   4.187   4.187
  284    HB   VAL  40           HB       VAL  40  -2.507   2.745   2.745
  285   1HG1  VAL  40          1HG2      VAL  40  -3.077   0.771   0.771
  286   2HG1  VAL  40          2HG2      VAL  40  -1.338   0.464   0.464
  287   3HG1  VAL  40          3HG2      VAL  40  -2.053   0.355   0.355
  288   1HG2  VAL  40          2HG1      VAL  40  -0.192   3.563   3.563
  289   2HG2  VAL  40          3HG1      VAL  40  -0.298   1.924   1.924
  290   3HG2  VAL  40          1HG1      VAL  40   0.345   2.178   2.178
  291    H    VAL  41           H        VAL  41  -3.129   1.622   1.622
  292    HA   VAL  41           HA       VAL  41  -0.892   0.343   0.343
  293    HB   VAL  41           HB       VAL  41  -3.777   0.545   0.545
  294   1HG1  VAL  41          1HG1      VAL  41  -1.571  -1.455  -1.455
  295   2HG1  VAL  41          2HG1      VAL  41  -3.266  -1.569  -1.569
  296   3HG1  VAL  41          3HG1      VAL  41  -2.258  -0.245  -0.245
  297   1HG2  VAL  41          2HG2      VAL  41  -2.389  -1.536  -1.536
  298   2HG2  VAL  41          1HG2      VAL  41  -3.678  -0.424  -0.424
  299   3HG2  VAL  41          3HG2      VAL  41  -4.024  -1.688  -1.688
  300    H    GLY  42           H        GLY  42   0.544   1.434   1.434
  301   1HA   GLY  42          1HA       GLY  42   1.244   2.376   2.376
  302   2HA   GLY  42          2HA       GLY  42  -0.266   3.282   3.282
  303    H    ARG  43           HN       ARG  43   0.370   3.701   3.701
  304    HA   ARG  43           HA       ARG  43   1.338   6.398   6.398
  305   1HB   ARG  43          2HB       ARG  43  -0.320   5.436   5.436
  306   2HB   ARG  43          1HB       ARG  43   1.104   4.860   4.860
  307   1HG   ARG  43          1HG       ARG  43   0.616   6.883   6.883
  308   2HG   ARG  43          2HG       ARG  43   1.971   7.278   7.278
  309   1HD   ARG  43          2HD       ARG  43   0.253   9.018   9.018
  310   2HD   ARG  43          1HD       ARG  43   0.404   8.312   8.312
  311    HE   ARG  43           HE       ARG  43  -1.599   6.799   6.799
  312   1HH1  ARG  43          1HH2      ARG  43  -1.237  10.322  10.322
  313   2HH1  ARG  43          2HH2      ARG  43  -2.954  10.595  10.595
  314   1HH2  ARG  43          1HH1      ARG  43  -3.688   7.114   7.114
  315   2HH2  ARG  43          2HH1      ARG  43  -4.425   8.705   8.705
  316    H    THR  44           H        THR  44   3.452   7.164   7.164
  317    HA   THR  44           HA       THR  44   5.652   5.362   5.362
  318    HB   THR  44           HB       THR  44   5.542   8.331   8.331
  319    HG1  THR  44           HG1      THR  44   5.892   6.918   6.918
  320   1HG2  THR  44          2HG2      THR  44   7.817   6.465   6.465
  321   2HG2  THR  44          1HG2      THR  44   7.939   8.231   8.231
  322   3HG2  THR  44          3HG2      THR  44   7.631   7.250   7.250
  323    H    ALA  45           H        ALA  45   6.455   4.418   4.418
  324    HA   ALA  45           HA       ALA  45   4.997   4.570   4.570
  325   1HB   ALA  45          1HB       ALA  45   6.527   2.718   2.718
  326   2HB   ALA  45          3HB       ALA  45   7.919   3.801   3.801
  327   3HB   ALA  45          2HB       ALA  45   6.848   3.325   3.325
  328    H    GLY  46           H        GLY  46   5.621   5.427   5.427
  329   1HA   GLY  46          1HA       GLY  46   6.312   7.040   7.040
  330   2HA   GLY  46          2HA       GLY  46   7.705   7.288   7.288
  331    H    THR  47           H        THR  47   4.509   7.809   7.809
  332    HA   THR  47           HA       THR  47   4.446  10.614  10.614
  333    HB   THR  47           HB       THR  47   6.222  10.739  10.739
  334    HG1  THR  47           HG1      THR  47   3.753  11.827  11.827
  335   1HG2  THR  47          3HG2      THR  47   4.228   9.541   9.541
  336   2HG2  THR  47          2HG2      THR  47   5.762  10.331  10.331
  337   3HG2  THR  47          1HG2      THR  47   5.780   8.850   8.850
  338    H    TYR  48           H        TYR  48   2.517   8.363   8.363
  339    HA   TYR  48           HA       TYR  48   0.353   9.263   9.263
  340   1HB   TYR  48          2HB       TYR  48   0.400   6.961   6.961
  341   2HB   TYR  48          1HB       TYR  48   0.123   7.641   7.641
  342    HD1  TYR  48           HD1      TYR  48  -1.958   9.093   9.093
  343    HD2  TYR  48           HD2      TYR  48  -1.481   6.493   6.493
  344    HE1  TYR  48           HE1      TYR  48  -4.305   9.528   9.528
  345    HE2  TYR  48           HE2      TYR  48  -3.861   6.748   6.748
  346    HH   TYR  48           HH       TYR  48  -5.830   7.848   7.848
  347    HA   PRO  49           HA       PRO  49   0.147  13.119  13.119
  348   1HB   PRO  49          2HB       PRO  49  -2.841  12.751  12.751
  349   2HB   PRO  49          1HB       PRO  49  -1.886  14.260  14.260
  350   1HG   PRO  49          1HG       PRO  49  -2.528  12.872  12.872
  351   2HG   PRO  49          2HG       PRO  49  -0.854  13.469  13.469
  352   1HD   PRO  49          1HD       PRO  49  -1.902  10.670  10.670
  353   2HD   PRO  49          2HD       PRO  49  -0.368  11.228  11.228
  354    H    GLU  50           HN       GLU  50  -0.413  14.119  14.119
  355    HA   GLU  50           HA       GLU  50  -0.675  14.242  14.242
  356   1HB   GLU  50          1HB       GLU  50  -3.050  14.234  14.234
  357   2HB   GLU  50          2HB       GLU  50  -3.160  12.544  12.544
  358   1HG   GLU  50          2HG       GLU  50  -2.704  13.294  13.294
  359   2HG   GLU  50          1HG       GLU  50  -2.673  14.968  14.968
  360    H    PHE  51           H        PHE  51   1.350  12.750  12.750
  361    HA   PHE  51           HA       PHE  51   0.930  11.109  11.109
  362   1HB   PHE  51          2HB       PHE  51   0.198   9.526   9.526
  363   2HB   PHE  51          1HB       PHE  51   1.864   9.569   9.569
  364    HD1  PHE  51           HD1      PHE  51  -0.385   8.768   8.768
  365    HD2  PHE  51           HD2      PHE  51   3.627   8.431   8.431
  366    HE1  PHE  51           HE1      PHE  51   0.230   7.312   7.312
  367    HE2  PHE  51           HE2      PHE  51   4.215   6.908   6.908
  368    HZ   PHE  51           HZ       PHE  51   2.478   6.256   6.256
  369    H    LYS  52           HN       LYS  52   2.634  11.342  11.342
  370    HA   LYS  52           HA       LYS  52   5.181  12.378  12.378
  371   1HB   LYS  52          2HB       LYS  52   4.145  13.069  13.069
  372   2HB   LYS  52          1HB       LYS  52   4.369  11.419  11.419
  373   1HG   LYS  52          2HG       LYS  52   6.930  11.839  11.839
  374   2HG   LYS  52          1HG       LYS  52   6.447  13.525  13.525
  375   1HD   LYS  52          2HD       LYS  52   7.423  12.974  12.974
  376   2HD   LYS  52          1HD       LYS  52   5.732  13.446  13.446
  377   1HE   LYS  52          2HE       LYS  52   6.519  11.452  11.452
  378   2HE   LYS  52          1HE       LYS  52   5.054  11.174  11.174
  379   1HZ   LYS  52          3HZ       LYS  52   7.754  10.352  10.352
  380   2HZ   LYS  52          1HZ       LYS  52   6.611   9.366   9.366
  381   3HZ   LYS  52          2HZ       LYS  52   6.353  10.043  10.043
  382    H    TYR  53           H        TYR  53   5.936  10.700  10.700
  383    HA   TYR  53           HA       TYR  53   6.318   7.979   7.979
  384   1HB   TYR  53          1HB       TYR  53   7.602   9.596   9.596
  385   2HB   TYR  53          2HB       TYR  53   7.689   7.841   7.841
  386    HD1  TYR  53           HD1      TYR  53   5.676   6.411   6.411
  387    HD2  TYR  53           HD2      TYR  53   5.644  10.617  10.617
  388    HE1  TYR  53           HE1      TYR  53   3.600   6.102   6.102
  389    HE2  TYR  53           HE2      TYR  53   3.478  10.335  10.335
  390    HH   TYR  53           HH       TYR  53   1.726   8.899   8.899
  391    H    LYS  54           HN       LYS  54   8.724   7.145   7.145
  392    HA   LYS  54           HA       LYS  54  10.632   8.481   8.481
  393   1HB   LYS  54          2HB       LYS  54  10.788   5.624   5.624
  394   2HB   LYS  54          1HB       LYS  54  11.661   6.393   6.393
  395   1HG   LYS  54          1HG       LYS  54   9.688   6.498   6.498
  396   2HG   LYS  54          2HG       LYS  54   8.652   5.944   5.944
  397   1HD   LYS  54          1HD       LYS  54   9.061   4.096   4.096
  398   2HD   LYS  54          2HD       LYS  54   9.824   3.798   3.798
  399   1HE   LYS  54          2HE       LYS  54  12.040   4.402   4.402
  400   2HE   LYS  54          1HE       LYS  54  11.254   4.682   4.682
  401   1HZ   LYS  54          3HZ       LYS  54  10.568   2.359   2.359
  402   2HZ   LYS  54          1HZ       LYS  54  11.371   2.165   2.165
  403   3HZ   LYS  54          2HZ       LYS  54  12.209   2.518   2.518
  404    H    ASP  55           HN       ASP  55  12.918   7.622   7.622
  405    HA   ASP  55           HA       ASP  55  13.414   8.918   8.918
  406   1HB   ASP  55          2HB       ASP  55  14.969   9.060   9.060
  407   2HB   ASP  55          1HB       ASP  55  15.227   7.305   7.305
  408    H    SER  56           H        SER  56  13.026   5.473   5.473
  409    HA   SER  56           HA       SER  56  14.697   4.339   4.339
  410   1HB   SER  56          2HB       SER  56  13.257   2.314   2.314
  411   2HB   SER  56          1HB       SER  56  14.292   3.129   3.129
  412    HG   SER  56           HG       SER  56  12.145   2.899   2.899
  413    H    ILE  57           H        ILE  57  11.253   4.128   4.128
  414    HA   ILE  57           HA       ILE  57  10.509   3.223   3.223
  415    HB   ILE  57           HB       ILE  57   9.292   3.318   3.318
  416   1HG1  ILE  57          2HG1      ILE  57   7.577   4.033   4.033
  417   2HG1  ILE  57          1HG1      ILE  57   8.367   2.465   2.465
  418   1HG2  ILE  57          2HG2      ILE  57   9.361   5.770   5.770
  419   2HG2  ILE  57          1HG2      ILE  57   8.186   5.963   5.963
  420   3HG2  ILE  57          3HG2      ILE  57   7.739   5.097   5.097
  421   1HD1  ILE  57          3HD1      ILE  57   7.128   2.124   2.124
  422   2HD1  ILE  57          1HD1      ILE  57   6.211   3.615   3.615
  423   3HD1  ILE  57          2HD1      ILE  57   6.101   2.230   2.230
  424    H    VAL  58           H        VAL  58  10.841   6.670   6.670
  425    HA   VAL  58           HA       VAL  58   9.831   7.662   7.662
  426    HB   VAL  58           HB       VAL  58  11.657   8.918   8.918
  427   1HG1  VAL  58          2HG1      VAL  58   9.822  10.040  10.040
  428   2HG1  VAL  58          1HG1      VAL  58  10.632  11.015  11.015
  429   3HG1  VAL  58          3HG1      VAL  58  11.604  10.149  10.149
  430   1HG2  VAL  58          2HG2      VAL  58   9.334   8.101   8.101
  431   2HG2  VAL  58          3HG2      VAL  58   9.661   9.834   9.834
  432   3HG2  VAL  58          1HG2      VAL  58   8.631   9.231   9.231
  433    H    ALA  59           H        ALA  59  13.167   6.935   6.935
  434    HA   ALA  59           HA       ALA  59  14.499   7.803   7.803
  435   1HB   ALA  59          3HB       ALA  59  15.271   5.563   5.563
  436   2HB   ALA  59          1HB       ALA  59  16.346   6.322   6.322
  437   3HB   ALA  59          2HB       ALA  59  15.701   7.282   7.282
  438    H    LEU  60           H        LEU  60  13.021   4.616   4.616
  439    HA   LEU  60           HA       LEU  60  13.765   3.367   3.367
  440   1HB   LEU  60          2HB       LEU  60  12.819   2.158   2.158
  441   2HB   LEU  60          1HB       LEU  60  11.297   3.020   3.020
  442    HG   LEU  60           HG       LEU  60  10.868   2.025   2.025
  443   1HD1  LEU  60          1HD2      LEU  60  13.402   0.399   0.399
  444   2HD1  LEU  60          2HD2      LEU  60  12.184   0.146   0.146
  445   3HD1  LEU  60          3HD2      LEU  60  13.145   1.622   1.622
  446   1HD2  LEU  60          3HD1      LEU  60  11.536   0.019   0.019
  447   2HD2  LEU  60          1HD1      LEU  60  10.020   0.931   0.931
  448   3HD2  LEU  60          2HD1      LEU  60  10.456  -0.285  -0.285
  449    H    GLY  61           H        GLY  61  10.844   5.171   5.171
  450   1HA   GLY  61          1HA       GLY  61   9.317   5.251   5.251
  451   2HA   GLY  61          2HA       GLY  61   9.500   6.595   6.595
  452    H    ALA  62           H        ALA  62  11.980   7.477   7.477
  453    HA   ALA  62           HA       ALA  62  11.941   9.160   9.160
  454   1HB   ALA  62          3HB       ALA  62  13.295   9.465   9.465
  455   2HB   ALA  62          1HB       ALA  62  14.438   8.235   8.235
  456   3HB   ALA  62          2HB       ALA  62  14.220   9.744   9.744
  457    H    SER  63           H        SER  63  13.184   5.807   5.807
  458    HA   SER  63           HA       SER  63  14.672   6.253   6.253
  459   1HB   SER  63          2HB       SER  63  14.976   3.884   3.884
  460   2HB   SER  63          1HB       SER  63  15.250   4.455   4.455
  461    HG   SER  63           HG       SER  63  13.124   3.720   3.720
  462    H    GLY  64           H        GLY  64  11.401   6.382   6.382
  463   1HA   GLY  64          1HA       GLY  64   9.713   6.676   6.676
  464   2HA   GLY  64          2HA       GLY  64  10.654   5.829   5.829
  465    H    PHE  65           H        PHE  65  10.150   4.767   4.767
  466    HA   PHE  65           HA       PHE  65   9.285   2.169   2.169
  467   1HB   PHE  65          2HB       PHE  65  10.824   2.156   2.156
  468   2HB   PHE  65          1HB       PHE  65   9.731   3.132   3.132
  469    HD1  PHE  65           HD2      PHE  65   9.431  -0.036  -0.036
  470    HD2  PHE  65           HD1      PHE  65   8.592   1.937   1.937
  471    HE1  PHE  65           HE2      PHE  65   7.847  -1.833  -1.833
  472    HE2  PHE  65           HE1      PHE  65   7.078   0.098   0.098
  473    HZ   PHE  65           HZ       PHE  65   6.660  -1.761  -1.761
  474    H    ALA  66           H        ALA  66   7.439   2.861   2.861
  475    HA   ALA  66           HA       ALA  66   5.026   3.771   3.771
  476   1HB   ALA  66          1HB       ALA  66   5.478   2.469   2.469
  477   2HB   ALA  66          2HB       ALA  66   3.959   3.191   3.191
  478   3HB   ALA  66          3HB       ALA  66   5.392   4.214   4.214
  479    H    TRP  67           H        TRP  67   3.886   2.434   2.434
  480    HA   TRP  67           HA       TRP  67   4.432  -0.279  -0.279
  481   1HB   TRP  67          1HB       TRP  67   2.214   1.717   1.717
  482   2HB   TRP  67          2HB       TRP  67   2.026   0.066   0.066
  483    HD1  TRP  67           HD1      TRP  67   2.891   3.047   3.047
  484    HE1  TRP  67           HE1      TRP  67   4.105   2.581   2.581
  485    HE3  TRP  67           HE3      TRP  67   4.101  -1.874  -1.874
  486    HZ2  TRP  67           HZ2      TRP  67   5.514   0.433   0.433
  487    HZ3  TRP  67           HZ3      TRP  67   5.435  -3.084  -3.084
  488    HH2  TRP  67           HH2      TRP  67   6.211  -1.924  -1.924
  489    H    THR  68           H        THR  68   3.201  -2.057  -2.057
  490    HA   THR  68           HA       THR  68   1.211  -1.826  -1.826
  491    HB   THR  68           HB       THR  68   2.095  -3.821  -3.821
  492    HG1  THR  68           HG1      THR  68   4.437  -3.856  -3.856
  493   1HG2  THR  68          2HG2      THR  68   3.074  -1.671  -1.671
  494   2HG2  THR  68          3HG2      THR  68   4.412  -1.884  -1.884
  495   3HG2  THR  68          1HG2      THR  68   4.197  -3.038  -3.038
  496    H    GLU  69           HN       GLU  69  -0.224  -3.814  -3.814
  497    HA   GLU  69           HA       GLU  69  -1.138  -4.499  -4.499
  498   1HB   GLU  69          1HB       GLU  69  -2.118  -6.455  -6.455
  499   2HB   GLU  69          2HB       GLU  69  -2.701  -4.820  -4.820
  500   1HG   GLU  69          1HG       GLU  69  -0.532  -6.019  -6.019
  501   2HG   GLU  69          2HG       GLU  69  -2.231  -6.413  -6.413
  502    H    GLU  70           HN       GLU  70   1.253  -6.056  -6.056
  503    HA   GLU  70           HA       GLU  70   1.560  -8.470  -8.470
  504   1HB   GLU  70          2HB       GLU  70   3.533  -7.082  -7.082
  505   2HB   GLU  70          1HB       GLU  70   3.610  -8.756  -8.756
  506   1HG   GLU  70          1HG       GLU  70   1.376  -9.179  -9.179
  507   2HG   GLU  70          2HG       GLU  70   1.427  -7.548  -7.548
  508    H    ASP  71           HN       ASP  71   3.471  -5.395  -5.395
  509    HA   ASP  71           HA       ASP  71   5.344  -6.197  -6.197
  510   1HB   ASP  71          2HB       ASP  71   4.416  -3.470  -3.470
  511   2HB   ASP  71          1HB       ASP  71   5.712  -3.735  -3.735
  512    H    ILE  72           H        ILE  72   2.260  -4.378  -4.378
  513    HA   ILE  72           HA       ILE  72   2.328  -3.816  -3.816
  514    HB   ILE  72           HB       ILE  72   0.036  -4.328  -4.328
  515   1HG1  ILE  72          1HG1      ILE  72   1.544  -2.267  -2.267
  516   2HG1  ILE  72          2HG1      ILE  72  -0.203  -2.020  -2.020
  517   1HG2  ILE  72          3HG2      ILE  72  -0.110  -3.416  -3.416
  518   2HG2  ILE  72          1HG2      ILE  72  -1.415  -3.174  -3.174
  519   3HG2  ILE  72          2HG2      ILE  72  -0.913  -4.807  -4.807
  520   1HD1  ILE  72          1HD1      ILE  72   1.776  -1.569  -1.569
  521   2HD1  ILE  72          2HD1      ILE  72   1.047  -0.312  -0.312
  522   3HD1  ILE  72          3HD1      ILE  72   0.018  -1.250  -1.250
  523    H    ALA  73           H        ALA  73   0.825  -6.575  -6.575
  524    HA   ALA  73           HA       ALA  73  -0.052  -8.028  -8.028
  525   1HB   ALA  73          1HB       ALA  73  -0.608  -8.611  -8.611
  526   2HB   ALA  73          3HB       ALA  73   1.069  -9.104  -9.104
  527   3HB   ALA  73          2HB       ALA  73   0.075 -10.012 -10.012
  528    H    THR  74           H        THR  74   3.177  -8.163  -8.163
  529    HA   THR  74           HA       THR  74   4.264 -10.141 -10.141
  530    HB   THR  74           HB       THR  74   5.766  -7.895  -7.895
  531    HG1  THR  74           HG1      THR  74   4.452  -8.974  -8.974
  532   1HG2  THR  74          3HG2      THR  74   6.584 -10.727 -10.727
  533   2HG2  THR  74          1HG2      THR  74   7.575  -9.573  -9.573
  534   3HG2  THR  74          2HG2      THR  74   7.157  -9.239  -9.239
  535    H    TYR  75           H        TYR  75   4.580  -6.566  -6.566
  536    HA   TYR  75           HA       TYR  75   6.114  -6.272  -6.272
  537   1HB   TYR  75          1HB       TYR  75   5.670  -4.452  -4.452
  538   2HB   TYR  75          2HB       TYR  75   3.934  -4.585  -4.585
  539    HD1  TYR  75           HD1      TYR  75   6.996  -4.115  -4.115
  540    HD2  TYR  75           HD2      TYR  75   2.919  -2.995  -2.995
  541    HE1  TYR  75           HE1      TYR  75   7.171  -2.269  -2.269
  542    HE2  TYR  75           HE2      TYR  75   3.087  -1.236  -1.236
  543    HH   TYR  75           HH       TYR  75   4.412  -0.069  -0.069
  544    H    VAL  76           H        VAL  76   2.521  -6.541  -6.541
  545    HA   VAL  76           HA       VAL  76   1.964  -6.196  -6.196
  546    HB   VAL  76           HB       VAL  76   0.639  -7.783  -7.783
  547   1HG1  VAL  76          3HG2      VAL  76  -0.382  -7.400  -7.400
  548   2HG1  VAL  76          1HG2      VAL  76  -1.392  -7.876  -7.876
  549   3HG1  VAL  76          2HG2      VAL  76  -0.087  -8.942  -8.942
  550   1HG2  VAL  76          3HG1      VAL  76   0.673  -5.235  -5.235
  551   2HG2  VAL  76          2HG1      VAL  76  -0.945  -5.951  -5.951
  552   3HG2  VAL  76          1HG1      VAL  76  -0.215  -5.258  -5.258
  553    H    LYS  77           HN       LYS  77   3.433  -9.021  -9.021
  554    HA   LYS  77           HA       LYS  77   3.172 -10.627 -10.627
  555   1HB   LYS  77          1HB       LYS  77   4.482 -11.497 -11.497
  556   2HB   LYS  77          2HB       LYS  77   3.819 -12.475 -12.475
  557   1HG   LYS  77          2HG       LYS  77   1.520 -11.428 -11.428
  558   2HG   LYS  77          1HG       LYS  77   2.356 -10.874 -10.874
  559   1HD   LYS  77          1HD       LYS  77   2.991 -13.218 -13.218
  560   2HD   LYS  77          2HD       LYS  77   2.085 -13.771 -13.771
  561   1HE   LYS  77          1HE       LYS  77   0.005 -12.747 -12.747
  562   2HE   LYS  77          2HE       LYS  77   0.921 -12.241 -12.241
  563   1HZ   LYS  77          3HZ       LYS  77   1.380 -14.553 -14.553
  564   2HZ   LYS  77          2HZ       LYS  77   0.488 -15.011 -15.011
  565   3HZ   LYS  77          1HZ       LYS  77  -0.240 -14.266 -14.266
  566    H    ASP  78           HN       ASP  78   5.433  -8.685  -8.685
  567    HA   ASP  78           HA       ASP  78   7.771  -9.612  -9.612
  568   1HB   ASP  78          1HB       ASP  78   7.602  -8.933  -8.933
  569   2HB   ASP  78          2HB       ASP  78   9.094  -9.269  -9.269
  570    HA   PRO  79           HA       PRO  79   7.354  -4.942  -4.942
  571   1HB   PRO  79          1HB       PRO  79   7.313  -4.517  -4.517
  572   2HB   PRO  79          2HB       PRO  79   5.831  -4.914  -4.914
  573   1HG   PRO  79          1HG       PRO  79   7.661  -6.858  -6.858
  574   2HG   PRO  79          2HG       PRO  79   5.915  -6.632  -6.632
  575   1HD   PRO  79          2HD       PRO  79   6.850  -8.566  -8.566
  576   2HD   PRO  79          1HD       PRO  79   5.466  -7.567  -7.567
  577    H    GLY  80           H        GLY  80   9.287  -3.728  -3.728
  578   1HA   GLY  80          1HA       GLY  80  11.469  -3.205  -3.205
  579   2HA   GLY  80          2HA       GLY  80  11.514  -4.590  -4.590
  580    H    ALA  81           H        ALA  81  11.241  -6.773  -6.773
  581    HA   ALA  81           HA       ALA  81  13.516  -7.325  -7.325
  582   1HB   ALA  81          3HB       ALA  81  10.818  -8.720  -8.720
  583   2HB   ALA  81          1HB       ALA  81  12.290  -9.399  -9.399
  584   3HB   ALA  81          2HB       ALA  81  12.231  -9.066  -9.066
  585    H    PHE  82           H        PHE  82  10.189  -6.583  -6.583
  586    HA   PHE  82           HA       PHE  82  10.668  -6.686  -6.686
  587   1HB   PHE  82          2HB       PHE  82   8.454  -6.347  -6.347
  588   2HB   PHE  82          1HB       PHE  82   8.947  -4.745  -4.745
  589    HD1  PHE  82           HD1      PHE  82   7.992  -6.839  -6.839
  590    HD2  PHE  82           HD2      PHE  82   9.112  -2.870  -2.870
  591    HE1  PHE  82           HE1      PHE  82   7.625  -5.990  -5.990
  592    HE2  PHE  82           HE2      PHE  82   8.883  -2.069  -2.069
  593    HZ   PHE  82           HZ       PHE  82   8.223  -3.644  -3.644
  594    H    LEU  83           H        LEU  83  11.168  -3.873  -3.873
  595    HA   LEU  83           HA       LEU  83  11.994  -2.071  -2.071
  596   1HB   LEU  83          1HB       LEU  83  12.494  -2.002  -2.002
  597   2HB   LEU  83          2HB       LEU  83  12.937  -0.780  -0.780
  598    HG   LEU  83           HG       LEU  83  10.334  -0.949  -0.949
  599   1HD1  LEU  83          3HD2      LEU  83   9.794  -2.603  -2.603
  600   2HD1  LEU  83          1HD2      LEU  83  10.406  -1.461  -1.461
  601   3HD1  LEU  83          2HD2      LEU  83   8.987  -1.043  -1.043
  602   1HD2  LEU  83          3HD1      LEU  83  11.534   0.651   0.651
  603   2HD2  LEU  83          1HD1      LEU  83  11.587   1.108   1.108
  604   3HD2  LEU  83          2HD1      LEU  83  10.035   1.057   1.057
  605    H    LYS  84           HN       LYS  84  13.778  -3.941  -3.941
  606    HA   LYS  84           HA       LYS  84  16.403  -3.345  -3.345
  607   1HB   LYS  84          2HB       LYS  84  15.190  -5.977  -5.977
  608   2HB   LYS  84          1HB       LYS  84  16.932  -5.687  -5.687
  609   1HG   LYS  84          2HG       LYS  84  16.861  -3.917  -3.917
  610   2HG   LYS  84          1HG       LYS  84  15.082  -3.898  -3.898
  611   1HD   LYS  84          2HD       LYS  84  14.973  -6.045  -6.045
  612   2HD   LYS  84          1HD       LYS  84  16.706  -6.329  -6.329
  613   1HE   LYS  84          1HE       LYS  84  16.325  -5.681  -5.681
  614   2HE   LYS  84          2HE       LYS  84  17.257  -4.427  -4.427
  615   1HZ   LYS  84          3HZ       LYS  84  15.175  -3.213  -3.213
  616   2HZ   LYS  84          2HZ       LYS  84  14.379  -4.363  -4.363
  617   3HZ   LYS  84          1HZ       LYS  84  15.558  -3.462  -3.462
  618    H    GLU  85           HN       GLU  85  14.368  -5.972  -5.972
  619    HA   GLU  85           HA       GLU  85  16.179  -6.962  -6.962
  620   1HB   GLU  85          2HB       GLU  85  14.025  -7.996  -7.996
  621   2HB   GLU  85          1HB       GLU  85  13.153  -6.609  -6.609
  622   1HG   GLU  85          2HG       GLU  85  14.081  -7.038  -7.038
  623   2HG   GLU  85          1HG       GLU  85  15.037  -8.372  -8.372
  624    H    LYS  86           HN       LYS  86  13.750  -4.391  -4.391
  625    HA   LYS  86           HA       LYS  86  14.740  -3.845  -3.845
  626   1HB   LYS  86          2HB       LYS  86  13.039  -2.127  -2.127
  627   2HB   LYS  86          1HB       LYS  86  13.244  -1.891  -1.891
  628   1HG   LYS  86          1HG       LYS  86  11.946  -4.317  -4.317
  629   2HG   LYS  86          2HG       LYS  86  11.121  -2.973  -2.973
  630   1HD   LYS  86          2HD       LYS  86  12.388  -3.563  -3.563
  631   2HD   LYS  86          1HD       LYS  86  12.911  -5.052  -5.052
  632   1HE   LYS  86          1HE       LYS  86  10.026  -4.201  -4.201
  633   2HE   LYS  86          2HE       LYS  86  10.928  -5.454  -5.454
  634   1HZ   LYS  86          1HZ       LYS  86  11.070  -6.688  -6.688
  635   2HZ   LYS  86          2HZ       LYS  86  10.234  -5.513  -5.513
  636   3HZ   LYS  86          3HZ       LYS  86   9.501  -6.370  -6.370
  637    H    LEU  87           H        LEU  87  15.215  -2.035  -2.035
  638    HA   LEU  87           HA       LEU  87  16.763   0.000   0.000
  639   1HB   LEU  87          2HB       LEU  87  15.127   0.420   0.420
  640   2HB   LEU  87          1HB       LEU  87  16.211  -0.435  -0.435
  641    HG   LEU  87           HG       LEU  87  17.922   1.308   1.308
  642   1HD1  LEU  87          1HD1      LEU  87  15.933   2.580   2.580
  643   2HD1  LEU  87          3HD1      LEU  87  17.322   3.427   3.427
  644   3HD1  LEU  87          2HD1      LEU  87  17.592   2.055   2.055
  645   1HD2  LEU  87          2HD2      LEU  87  16.142   1.569   1.569
  646   2HD2  LEU  87          3HD2      LEU  87  16.735   3.126   3.126
  647   3HD2  LEU  87          1HD2      LEU  87  15.173   2.499   2.499
  648    H    ASP  88           HN       ASP  88  17.555  -2.892  -2.892
  649    HA   ASP  88           HA       ASP  88  19.458  -3.834  -3.834
  650   1HB   ASP  88          1HB       ASP  88  19.967  -3.779  -3.779
  651   2HB   ASP  88          2HB       ASP  88  20.692  -2.175  -2.175
  652    H    ASP  89           HN       ASP  89  18.699  -2.170  -2.170
  653    HA   ASP  89           HA       ASP  89  21.101  -0.723  -0.723
  654   1HB   ASP  89          2HB       ASP  89  19.800   1.032   1.032
  655   2HB   ASP  89          1HB       ASP  89  18.287   0.302   0.302
  656    H    LYS  90           HN       LYS  90  21.449  -0.998  -0.998
  657    HA   LYS  90           HA       LYS  90  20.207  -3.168  -3.168
  658   1HB   LYS  90          2HB       LYS  90  22.595  -2.467  -2.467
  659   2HB   LYS  90          1HB       LYS  90  22.082  -0.997  -0.997
  660   1HG   LYS  90          1HG       LYS  90  21.097  -2.394  -2.394
  661   2HG   LYS  90          2HG       LYS  90  21.568  -3.863  -3.863
  662   1HD   LYS  90          2HD       LYS  90  23.962  -3.141  -3.141
  663   2HD   LYS  90          1HD       LYS  90  23.483  -1.729  -1.729
  664   1HE   LYS  90          2HE       LYS  90  23.061  -4.653  -4.653
  665   2HE   LYS  90          1HE       LYS  90  24.349  -3.596  -3.596
  666   1HZ   LYS  90          2HZ       LYS  90  22.672  -2.166  -2.166
  667   2HZ   LYS  90          3HZ       LYS  90  21.473  -3.168  -3.168
  668   3HZ   LYS  90          1HZ       LYS  90  22.546  -3.695  -3.695
  669    H    LYS  91           HN       LYS  91  19.864   0.421   0.421
  670    HA   LYS  91           HA       LYS  91  18.100   0.114   0.114
  671   1HB   LYS  91          2HB       LYS  91  18.100   2.487   2.487
  672   2HB   LYS  91          1HB       LYS  91  19.763   1.916   1.916
  673   1HG   LYS  91          1HG       LYS  91  19.890   2.714   2.714
  674   2HG   LYS  91          2HG       LYS  91  18.145   3.043   3.043
  675   1HD   LYS  91          1HD       LYS  91  18.407   4.770   4.770
  676   2HD   LYS  91          2HD       LYS  91  20.163   4.483   4.483
  677   1HE   LYS  91          1HE       LYS  91  20.317   5.129   5.129
  678   2HE   LYS  91          2HE       LYS  91  18.556   5.320   5.320
  679   1HZ   LYS  91          3HZ       LYS  91  20.348   6.920   6.920
  680   2HZ   LYS  91          1HZ       LYS  91  19.638   7.397   7.397
  681   3HZ   LYS  91          2HZ       LYS  91  18.705   7.074   7.074
  682    H    ALA  92           H        ALA  92  17.395  -0.771  -0.771
  683    HA   ALA  92           HA       ALA  92  15.148   0.892   0.892
  684   1HB   ALA  92          3HB       ALA  92  16.483  -0.321  -0.321
  685   2HB   ALA  92          2HB       ALA  92  15.991  -1.864  -1.864
  686   3HB   ALA  92          1HB       ALA  92  14.797  -0.823  -0.823
  687    H    LYS  93           HN       LYS  93  14.301   0.802   0.802
  688    HA   LYS  93           HA       LYS  93  12.557  -1.578  -1.578
  689   1HB   LYS  93          2HB       LYS  93  13.583   0.657   0.657
  690   2HB   LYS  93          1HB       LYS  93  12.575  -0.701  -0.701
  691   1HG   LYS  93          1HG       LYS  93  14.353  -2.289  -2.289
  692   2HG   LYS  93          2HG       LYS  93  15.397  -0.972  -0.972
  693   1HD   LYS  93          1HD       LYS  93  14.403  -1.502  -1.502
  694   2HD   LYS  93          2HD       LYS  93  16.052  -1.683  -1.683
  695   1HE   LYS  93          1HE       LYS  93  14.511   0.918   0.918
  696   2HE   LYS  93          2HE       LYS  93  15.941   0.352   0.352
  697   1HZ   LYS  93          2HZ       LYS  93  17.184   0.544   0.544
  698   2HZ   LYS  93          1HZ       LYS  93  15.861   1.078   1.078
  699   3HZ   LYS  93          3HZ       LYS  93  16.491   1.985   1.985
  700    H    THR  94           H        THR  94  10.296  -1.217  -1.217
  701    HA   THR  94           HA       THR  94   9.343   1.502   1.502
  702    HB   THR  94           HB       THR  94   8.356  -0.209  -0.209
  703    HG1  THR  94           HG1      THR  94   6.251   0.076   0.076
  704   1HG2  THR  94          1HG2      THR  94   7.722  -1.728  -1.728
  705   2HG2  THR  94          2HG2      THR  94   7.085  -2.129  -2.129
  706   3HG2  THR  94          3HG2      THR  94   8.814  -2.261  -2.261
  707    H    GLY  95           H        GLY  95   7.650   2.382   2.382
  708   1HA   GLY  95          1HA       GLY  95   8.025   2.048   2.048
  709   2HA   GLY  95          2HA       GLY  95   6.742   2.965   2.965
  710    H    MET  96           H        MET  96   6.193   0.412   0.412
  711    HA   MET  96           HA       MET  96   4.095  -0.511  -0.511
  712   1HB   MET  96          2HB       MET  96   4.225  -0.351  -0.351
  713   2HB   MET  96          1HB       MET  96   5.046  -1.901  -1.901
  714   1HG   MET  96          2HG       MET  96   3.205  -2.929  -2.929
  715   2HG   MET  96          1HG       MET  96   2.480  -1.500  -1.500
  716   1HE   MET  96          2HE       MET  96   3.735  -2.729  -2.729
  717   2HE   MET  96          1HE       MET  96   3.025  -4.199  -4.199
  718   3HE   MET  96          3HE       MET  96   2.208  -3.381  -3.381
  719    H    ALA  97           H        ALA  97   5.285  -1.184  -1.184
  720    HA   ALA  97           HA       ALA  97   6.627  -3.772  -3.772
  721   1HB   ALA  97          1HB       ALA  97   7.084  -2.068  -2.068
  722   2HB   ALA  97          2HB       ALA  97   5.402  -2.166  -2.166
  723   3HB   ALA  97          3HB       ALA  97   6.482  -3.568  -3.568
  724    H    PHE  98           H        PHE  98   4.598  -4.391  -4.391
  725    HA   PHE  98           HA       PHE  98   2.913  -6.238  -6.238
  726   1HB   PHE  98          2HB       PHE  98   1.477  -4.376  -4.376
  727   2HB   PHE  98          1HB       PHE  98   1.882  -3.666  -3.666
  728    HD1  PHE  98           HD1      PHE  98  -0.100  -6.398  -6.398
  729    HD2  PHE  98           HD2      PHE  98   0.868  -4.337  -4.337
  730    HE1  PHE  98           HE1      PHE  98  -1.838  -7.691  -7.691
  731    HE2  PHE  98           HE2      PHE  98  -0.832  -5.652  -5.652
  732    HZ   PHE  98           HZ       PHE  98  -2.240  -7.301  -7.301
  733    H    LYS  99           HN       LYS  99   1.993  -7.746  -7.746
  734    HA   LYS  99           HA       LYS  99   2.177  -7.441  -7.441
  735   1HB   LYS  99          1HB       LYS  99   3.605  -9.438  -9.438
  736   2HB   LYS  99          2HB       LYS  99   4.437  -8.124  -8.124
  737   1HG   LYS  99          1HG       LYS  99   4.303  -9.260  -9.260
  738   2HG   LYS  99          2HG       LYS  99   3.395 -10.588 -10.588
  739   1HD   LYS  99          1HD       LYS  99   5.344 -11.070 -11.070
  740   2HD   LYS  99          2HD       LYS  99   6.226  -9.723  -9.723
  741   1HE   LYS  99          2HE       LYS  99   6.987 -11.808 -11.808
  742   2HE   LYS  99          1HE       LYS  99   6.147 -10.854 -10.854
  743   1HZ   LYS  99          3HZ       LYS  99   4.989 -13.086 -13.086
  744   2HZ   LYS  99          2HZ       LYS  99   5.520 -13.160 -13.160
  745   3HZ   LYS  99          1HZ       LYS  99   4.220 -12.224 -12.224
  746    H    LEU 100           H        LEU 100   1.397  -9.435  -9.435
  747    HA   LEU 100           HA       LEU 100  -0.217 -11.245 -11.245
  748   1HB   LEU 100          1HB       LEU 100  -1.511  -9.256  -9.256
  749   2HB   LEU 100          2HB       LEU 100  -1.184  -9.794  -9.794
  750    HG   LEU 100           HG       LEU 100  -2.326 -11.967 -11.967
  751   1HD1  LEU 100          2HD2      LEU 100  -3.054 -10.638 -10.638
  752   2HD1  LEU 100          1HD2      LEU 100  -3.880 -12.060 -12.060
  753   3HD1  LEU 100          3HD2      LEU 100  -2.179 -12.171 -12.171
  754   1HD2  LEU 100          2HD1      LEU 100  -3.477 -10.025 -10.025
  755   2HD2  LEU 100          3HD1      LEU 100  -4.571 -11.077 -11.077
  756   3HD2  LEU 100          1HD1      LEU 100  -4.056  -9.518  -9.518
  757    H    ALA 101           H        ALA 101   0.523 -13.277 -13.277
  758    HA   ALA 101           HA       ALA 101   1.966 -13.711 -13.711
  759   1HB   ALA 101          2HB       ALA 101   2.724 -14.657 -14.657
  760   2HB   ALA 101          1HB       ALA 101   1.238 -15.630 -15.630
  761   3HB   ALA 101          3HB       ALA 101   2.408 -15.920 -15.920
  762    H    LYS 102           HN       LYS 102  -0.555 -12.944 -12.944
  763    HA   LYS 102           HA       LYS 102  -1.495 -14.721 -14.721
  764   1HB   LYS 102          1HB       LYS 102  -3.653 -15.445 -15.445
  765   2HB   LYS 102          2HB       LYS 102  -2.353 -16.203 -16.203
  766   1HG   LYS 102          1HG       LYS 102  -2.590 -14.602 -14.602
  767   2HG   LYS 102          2HG       LYS 102  -3.833 -13.702 -13.702
  768   1HD   LYS 102          2HD       LYS 102  -4.035 -16.564 -16.564
  769   2HD   LYS 102          1HD       LYS 102  -4.829 -15.135 -15.135
  770   1HE   LYS 102          2HE       LYS 102  -5.422 -16.513 -16.513
  771   2HE   LYS 102          1HE       LYS 102  -6.477 -16.335 -16.335
  772   1HZ   LYS 102          2HZ       LYS 102  -6.516 -13.960 -13.960
  773   2HZ   LYS 102          1HZ       LYS 102  -5.546 -14.148 -14.148
  774   3HZ   LYS 102          3HZ       LYS 102  -7.054 -14.805 -14.805
  775    H    GLY 103           H        GLY 103  -4.057 -13.850 -13.850
  776   1HA   GLY 103          1HA       GLY 103  -5.505 -12.090 -12.090
  777   2HA   GLY 103          2HA       GLY 103  -4.585 -11.196 -11.196
  778    H    GLY 104           H        GLY 104  -2.143 -10.827 -10.827
  779   1HA   GLY 104          1HA       GLY 104  -1.929  -8.621  -8.621
  780   2HA   GLY 104          2HA       GLY 104  -0.888  -9.970  -9.970
  781    H    GLU 105           HN       GLU 105  -2.461 -11.579 -11.579
  782    HA   GLU 105           HA       GLU 105  -2.544 -10.187 -10.187
  783   1HB   GLU 105          2HB       GLU 105  -3.490 -12.315 -12.315
  784   2HB   GLU 105          1HB       GLU 105  -1.915 -12.454 -12.454
  785   1HG   GLU 105          2HG       GLU 105  -4.495 -13.195 -13.195
  786   2HG   GLU 105          1HG       GLU 105  -3.647 -14.286 -14.286
  787    H    ASP 106           HN       ASP 106  -5.074 -11.464 -11.464
  788    HA   ASP 106           HA       ASP 106  -7.349 -10.726 -10.726
  789   1HB   ASP 106          1HB       ASP 106  -7.147 -10.988 -10.988
  790   2HB   ASP 106          2HB       ASP 106  -8.593 -11.088 -11.088
  791    H    VAL 107           H        VAL 107  -5.611  -9.180  -9.180
  792    HA   VAL 107           HA       VAL 107  -7.142  -6.790  -6.790
  793    HB   VAL 107           HB       VAL 107  -4.269  -7.484  -7.484
  794   1HG1  VAL 107          2HG1      VAL 107  -5.863  -4.977  -4.977
  795   2HG1  VAL 107          1HG1      VAL 107  -4.328  -5.490  -5.490
  796   3HG1  VAL 107          3HG1      VAL 107  -4.370  -5.052  -5.052
  797   1HG2  VAL 107          2HG2      VAL 107  -6.073  -8.697  -8.697
  798   2HG2  VAL 107          1HG2      VAL 107  -5.168  -7.581  -7.581
  799   3HG2  VAL 107          3HG2      VAL 107  -6.782  -7.134  -7.134
  800    H    ALA 108           H        ALA 108  -4.153  -7.543  -7.543
  801    HA   ALA 108           HA       ALA 108  -3.870  -4.991  -4.991
  802   1HB   ALA 108          1HB       ALA 108  -3.156  -7.714  -7.714
  803   2HB   ALA 108          3HB       ALA 108  -2.595  -6.138  -6.138
  804   3HB   ALA 108          2HB       ALA 108  -2.134  -6.690  -6.690
  805    H    ALA 109           H        ALA 109  -5.745  -7.852  -7.852
  806    HA   ALA 109           HA       ALA 109  -6.801  -6.608  -6.608
  807   1HB   ALA 109          1HB       ALA 109  -6.960  -9.010  -9.010
  808   2HB   ALA 109          2HB       ALA 109  -8.066  -8.757  -8.757
  809   3HB   ALA 109          3HB       ALA 109  -8.567  -8.319  -8.319
  810    H    TYR 110           H        TYR 110  -8.039  -6.669  -6.669
  811    HA   TYR 110           HA       TYR 110 -10.394  -5.194  -5.194
  812   1HB   TYR 110          2HB       TYR 110 -10.042  -6.341  -6.341
  813   2HB   TYR 110          1HB       TYR 110  -8.666  -5.321  -5.321
  814    HD1  TYR 110           HD2      TYR 110 -12.235  -4.771  -4.771
  815    HD2  TYR 110           HD1      TYR 110  -9.101  -3.733  -3.733
  816    HE1  TYR 110           HE2      TYR 110 -13.733  -3.140  -3.140
  817    HE2  TYR 110           HE1      TYR 110 -10.642  -2.158  -2.158
  818    HH   TYR 110           HH       TYR 110 -14.088  -1.991  -1.991
  819    H    LEU 111           H        LEU 111  -7.107  -3.944  -3.944
  820    HA   LEU 111           HA       LEU 111  -7.768  -1.231  -1.231
  821   1HB   LEU 111          2HB       LEU 111  -5.227  -2.796  -2.796
  822   2HB   LEU 111          1HB       LEU 111  -5.283  -1.047  -1.047
  823    HG   LEU 111           HG       LEU 111  -6.294  -2.839  -2.839
  824   1HD1  LEU 111          3HD2      LEU 111  -3.902  -3.251  -3.251
  825   2HD1  LEU 111          1HD2      LEU 111  -3.578  -1.506  -1.506
  826   3HD1  LEU 111          2HD2      LEU 111  -4.159  -2.365  -2.365
  827   1HD2  LEU 111          2HD1      LEU 111  -5.629   0.130   0.130
  828   2HD2  LEU 111          3HD1      LEU 111  -7.219  -0.588  -0.588
  829   3HD2  LEU 111          1HD1      LEU 111  -5.924  -0.754  -0.754
  830    H    ALA 112           H        ALA 112  -6.517  -3.311  -3.311
  831    HA   ALA 112           HA       ALA 112  -6.466  -1.372  -1.372
  832   1HB   ALA 112          3HB       ALA 112  -5.509  -3.628  -3.628
  833   2HB   ALA 112          1HB       ALA 112  -7.143  -4.325  -4.325
  834   3HB   ALA 112          2HB       ALA 112  -6.597  -3.240  -3.240
  835    H    SER 113           H        SER 113  -9.210  -3.370  -3.370
  836    HA   SER 113           HA       SER 113 -11.102  -2.387  -2.387
  837   1HB   SER 113          2HB       SER 113 -11.688  -3.509  -3.509
  838   2HB   SER 113          1HB       SER 113 -12.777  -3.426  -3.426
  839    HG   SER 113           HG       SER 113 -10.348  -4.922  -4.922
  840    H    VAL 114           H        VAL 114 -10.105  -1.324  -1.324
  841    HA   VAL 114           HA       VAL 114 -12.188   0.529   0.529
  842    HB   VAL 114           HB       VAL 114  -9.623  -0.311  -0.311
  843   1HG1  VAL 114          2HG2      VAL 114 -10.472   2.516   2.516
  844   2HG1  VAL 114          1HG2      VAL 114  -9.290   1.554   1.554
  845   3HG1  VAL 114          3HG2      VAL 114  -8.936   1.991   1.991
  846   1HG2  VAL 114          1HG1      VAL 114 -11.852  -0.987  -0.987
  847   2HG2  VAL 114          3HG1      VAL 114 -10.901  -0.166  -0.166
  848   3HG2  VAL 114          2HG1      VAL 114 -12.202   0.706   0.706
  849    H    VAL 115           H        VAL 115  -8.988   0.927   0.927
  850    HA   VAL 115           HA       VAL 115  -9.289   3.793   3.793
  851    HB   VAL 115           HB       VAL 115  -7.173   2.807   2.807
  852   1HG1  VAL 115          1HG2      VAL 115  -7.359   0.752   0.752
  853   2HG1  VAL 115          3HG2      VAL 115  -7.543   1.598   1.598
  854   3HG1  VAL 115          2HG2      VAL 115  -6.030   1.715   1.715
  855   1HG2  VAL 115          2HG1      VAL 115  -7.462   5.024   5.024
  856   2HG2  VAL 115          3HG1      VAL 115  -6.068   4.159   4.159
  857   3HG2  VAL 115          1HG1      VAL 115  -7.577   4.245   4.245
  858    H    LYS 116           HN       LYS 116 -11.366   4.032   4.032
  859    HA   LYS 116           HA       LYS 116 -11.942   3.825   3.825
  860   1HB   LYS 116          2HB       LYS 116 -14.254   3.337   3.337
  861   2HB   LYS 116          1HB       LYS 116 -13.224   2.157   2.157
  862   1HG   LYS 116          2HG       LYS 116 -13.318   3.837   3.837
  863   2HG   LYS 116          1HG       LYS 116 -14.644   4.597   4.597
  864   1HD   LYS 116          2HD       LYS 116 -16.023   2.663   2.663
  865   2HD   LYS 116          1HD       LYS 116 -14.659   1.615   1.615
  866   1HE   LYS 116          2HE       LYS 116 -15.437   4.027   4.027
  867   2HE   LYS 116          1HE       LYS 116 -16.177   2.433   2.433
  868   1HZ   LYS 116          3HZ       LYS 116 -13.288   2.940   2.940
  869   2HZ   LYS 116          1HZ       LYS 116 -14.290   2.811   2.811
  870   3HZ   LYS 116          2HZ       LYS 116 -14.060   1.522   1.522
  871    HHA  HEC 117           HHA      HEM 117   2.918   2.886   2.886
  872    HHB  HEC 117           HHB      HEM 117  -0.651  -1.624  -1.624
  873    HHC  HEC 117           HHC      HEM 117  -2.557  -3.494  -3.494
  874    HHD  HEC 117           HHD      HEM 117   1.786   0.269   0.269
  875   1HMA  HEC 117          1HMA      HEM 117   1.703   0.548   0.548
  876   2HMA  HEC 117          2HMA      HEM 117   1.398  -1.124  -1.124
  877   3HMA  HEC 117          3HMA      HEM 117   0.040   0.019   0.019
  878   1HAA  HEC 117          1HAA      HEM 117   3.514   1.549   1.549
  879   2HAA  HEC 117          2HAA      HEM 117   3.749   2.516   2.516
  880   1HBA  HEC 117          1HBA      HEM 117   1.684   2.978   2.978
  881   2HBA  HEC 117          2HBA      HEM 117   1.714   3.871   3.871
  882   1HMB  HEC 117          1HMB      HEM 117  -2.522  -4.249  -4.249
  883   2HMB  HEC 117          2HMB      HEM 117  -3.920  -3.207  -3.207
  884   3HMB  HEC 117          3HMB      HEM 117  -2.554  -2.548  -2.548
  885    HAB  HEC 117           HAB      HEM 117  -3.608  -4.655  -4.655
  886   1HBB  HEC 117          1HBB      HEM 117  -4.984  -5.870  -5.870
  887   2HBB  HEC 117          2HBB      HEM 117  -5.026  -4.647  -4.647
  888   3HBB  HEC 117          3HBB      HEM 117  -3.562  -5.656  -5.656
  889   1HMC  HEC 117          1HMC      HEM 117  -3.376  -2.804  -2.804
  890   2HMC  HEC 117          2HMC      HEM 117  -2.114  -4.025  -4.025
  891   3HMC  HEC 117          3HMC      HEM 117  -2.436  -2.808  -2.808
  892    HAC  HEC 117           HAC      HEM 117  -0.066   0.356   0.356
  893   1HBC  HEC 117          1HBC      HEM 117   0.901  -1.757  -1.757
  894   2HBC  HEC 117          2HBC      HEM 117  -0.195  -1.009  -1.009
  895   3HBC  HEC 117          3HBC      HEM 117  -0.727  -2.416  -2.416
  896   1HMD  HEC 117          1HMD      HEM 117   2.492   3.306   3.306
  897   2HMD  HEC 117          2HMD      HEM 117   4.157   3.254   3.254
  898   3HMD  HEC 117          3HMD      HEM 117   3.460   1.826   1.826
  899   1HAD  HEC 117          1HAD      HEM 117   3.622   4.420   4.420
  900   2HAD  HEC 117          2HAD      HEM 117   4.116   4.441   4.441
  901   1HBD  HEC 117          1HBD      HEM 117   5.315   2.747   2.747
  902   2HBD  HEC 117          2HBD      HEM 117   5.606   2.456   2.456

  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -5.524 -11.605 -11.605
    2   2H    GLY   1          2H        GLY   1  -7.165 -11.840 -11.840
    3   1HA   GLY   1          1HA       GLY   1  -6.453 -13.099 -13.099
    4   2HA   GLY   1          2HA       GLY   1  -6.021 -11.521 -11.521
    5    H    ASP   2           HN       ASP   2  -7.811 -13.045 -13.045
    6    HA   ASP   2           HA       ASP   2 -10.544 -12.588 -12.588
    7   1HB   ASP   2          1HB       ASP   2  -9.707 -14.537 -14.537
    8   2HB   ASP   2          2HB       ASP   2  -9.563 -13.465 -13.465
    9    H    ALA   3           H        ALA   3 -10.318 -10.280 -10.280
   10    HA   ALA   3           HA       ALA   3  -9.967  -8.295  -8.295
   11   1HB   ALA   3          2HB       ALA   3 -12.082  -8.414  -8.414
   12   2HB   ALA   3          1HB       ALA   3 -11.553  -6.937  -6.937
   13   3HB   ALA   3          3HB       ALA   3 -10.406  -7.851  -7.851
   14    H    ALA   4           H        ALA   4 -12.881 -10.324 -10.324
   15    HA   ALA   4           HA       ALA   4 -14.599  -8.817  -8.817
   16   1HB   ALA   4          2HB       ALA   4 -15.430 -10.547 -10.547
   17   2HB   ALA   4          1HB       ALA   4 -14.631 -11.812 -11.812
   18   3HB   ALA   4          3HB       ALA   4 -15.948 -10.861 -10.861
   19    H    LYS   5           HN       LYS   5 -12.436 -11.630 -11.630
   20    HA   LYS   5           HA       LYS   5 -12.967 -11.571 -11.571
   21   1HB   LYS   5          1HB       LYS   5 -10.658 -12.698 -12.698
   22   2HB   LYS   5          2HB       LYS   5 -10.789 -12.846 -12.846
   23   1HG   LYS   5          1HG       LYS   5 -12.945 -14.001 -14.001
   24   2HG   LYS   5          2HG       LYS   5 -12.900 -13.831 -13.831
   25   1HD   LYS   5          2HD       LYS   5 -10.814 -15.201 -15.201
   26   2HD   LYS   5          1HD       LYS   5 -10.830 -15.324 -15.324
   27   1HE   LYS   5          1HE       LYS   5 -11.710 -17.366 -17.366
   28   2HE   LYS   5          2HE       LYS   5 -12.943 -16.587 -16.587
   29   1HZ   LYS   5          2HZ       LYS   5 -12.723 -16.236 -16.236
   30   2HZ   LYS   5          1HZ       LYS   5 -13.731 -17.324 -17.324
   31   3HZ   LYS   5          3HZ       LYS   5 -13.938 -15.707 -15.707
   32    H    GLY   6           H        GLY   6 -10.442 -10.130 -10.130
   33   1HA   GLY   6          1HA       GLY   6  -8.789  -8.884  -8.884
   34   2HA   GLY   6          2HA       GLY   6  -9.240  -8.197  -8.197
   35    H    GLU   7           HN       GLU   7 -11.888  -7.575  -7.575
   36    HA   GLU   7           HA       GLU   7 -11.956  -5.137  -5.137
   37   1HB   GLU   7          1HB       GLU   7 -13.562  -5.910  -5.910
   38   2HB   GLU   7          2HB       GLU   7 -14.291  -7.009  -7.009
   39   1HG   GLU   7          2HG       GLU   7 -14.971  -5.094  -5.094
   40   2HG   GLU   7          1HG       GLU   7 -14.196  -3.974  -3.974
   41    H    LYS   8           HN       LYS   8 -12.943  -8.362  -8.362
   42    HA   LYS   8           HA       LYS   8 -13.975  -7.303  -7.303
   43   1HB   LYS   8          2HB       LYS   8 -13.154 -10.172 -10.172
   44   2HB   LYS   8          1HB       LYS   8 -14.330  -9.561  -9.561
   45   1HG   LYS   8          1HG       LYS   8 -14.583  -9.677  -9.677
   46   2HG   LYS   8          2HG       LYS   8 -15.461 -10.639 -10.639
   47   1HD   LYS   8          2HD       LYS   8 -16.634  -8.649  -8.649
   48   2HD   LYS   8          1HD       LYS   8 -15.752  -7.600  -7.600
   49   1HE   LYS   8          2HE       LYS   8 -17.522  -9.918  -9.918
   50   2HE   LYS   8          1HE       LYS   8 -18.063  -8.235  -8.235
   51   1HZ   LYS   8          1HZ       LYS   8 -15.813  -9.099  -9.099
   52   2HZ   LYS   8          3HZ       LYS   8 -17.359  -8.868  -8.868
   53   3HZ   LYS   8          2HZ       LYS   8 -16.502  -7.601  -7.601
   54    H    GLU   9           HN       GLU   9 -11.035  -8.884  -8.884
   55    HA   GLU   9           HA       GLU   9  -9.601  -9.192  -9.192
   56   1HB   GLU   9          1HB       GLU   9  -9.104  -9.932  -9.932
   57   2HB   GLU   9          2HB       GLU   9  -8.255  -8.384  -8.384
   58   1HG   GLU   9          2HG       GLU   9  -7.721 -10.689 -10.689
   59   2HG   GLU   9          1HG       GLU   9  -6.728 -10.220 -10.220
   60    H    PHE  10           H        PHE  10  -9.985  -6.385  -6.385
   61    HA   PHE  10           HA       PHE  10  -8.233  -4.620  -4.620
   62   1HB   PHE  10          2HB       PHE  10  -9.989  -4.382  -4.382
   63   2HB   PHE  10          1HB       PHE  10 -10.981  -3.612  -3.612
   64    HD1  PHE  10           HD2      PHE  10  -7.755  -3.517  -3.517
   65    HD2  PHE  10           HD1      PHE  10 -10.272  -1.430  -1.430
   66    HE1  PHE  10           HE2      PHE  10  -6.245  -1.578  -1.578
   67    HE2  PHE  10           HE1      PHE  10  -8.758   0.542   0.542
   68    HZ   PHE  10           HZ       PHE  10  -6.764   0.488   0.488
   69    H    ASN  11           H        ASN  11 -10.987  -5.876  -5.876
   70    HA   ASN  11           HA       ASN  11 -11.395  -3.821  -3.821
   71   1HB   ASN  11          2HB       ASN  11 -12.497  -5.335  -5.335
   72   2HB   ASN  11          1HB       ASN  11 -12.698  -6.054  -6.054
   73   1HD2  ASN  11          2HD2      ASN  11 -10.528  -8.865  -8.865
   74   2HD2  ASN  11          1HD2      ASN  11 -11.092  -7.869  -7.869
   75    H    LYS  12           HN       LYS  12  -8.649  -6.017  -6.017
   76    HA   LYS  12           HA       LYS  12  -7.458  -5.346  -5.346
   77   1HB   LYS  12          2HB       LYS  12  -6.334  -6.651  -6.651
   78   2HB   LYS  12          1HB       LYS  12  -5.459  -6.459  -6.459
   79   1HG   LYS  12          2HG       LYS  12  -8.013  -8.100  -8.100
   80   2HG   LYS  12          1HG       LYS  12  -6.364  -8.715  -8.715
   81   1HD   LYS  12          2HD       LYS  12  -6.738  -9.088  -9.088
   82   2HD   LYS  12          1HD       LYS  12  -6.315  -7.382  -7.382
   83   1HE   LYS  12          1HE       LYS  12  -8.809  -6.847  -6.847
   84   2HE   LYS  12          2HE       LYS  12  -9.119  -8.587  -8.587
   85   1HZ   LYS  12          1HZ       LYS  12  -8.098  -8.811  -8.811
   86   2HZ   LYS  12          2HZ       LYS  12  -7.806  -7.188  -7.188
   87   3HZ   LYS  12          3HZ       LYS  12  -9.355  -7.747  -7.747
   88    H    CYS  13           H        CYS  13  -6.797  -4.582  -4.582
   89    HA   CYS  13           HA       CYS  13  -4.689  -2.828  -2.828
   90   1HB   CYS  13          1HB       CYS  13  -6.937  -2.462  -2.462
   91   2HB   CYS  13          2HB       CYS  13  -5.264  -1.918  -1.918
   92    H    LYS  14           HN       LYS  14  -8.158  -1.987  -1.987
   93    HA   LYS  14           HA       LYS  14  -7.849   0.761   0.761
   94   1HB   LYS  14          2HB       LYS  14 -10.047   0.921   0.921
   95   2HB   LYS  14          1HB       LYS  14  -9.987  -0.604  -0.604
   96   1HG   LYS  14          2HG       LYS  14  -9.866  -1.806  -1.806
   97   2HG   LYS  14          1HG       LYS  14  -9.990  -0.264  -0.264
   98   1HD   LYS  14          2HD       LYS  14 -12.151   0.208   0.208
   99   2HD   LYS  14          1HD       LYS  14 -12.113  -1.408  -1.408
  100   1HE   LYS  14          2HE       LYS  14 -12.060  -0.799  -0.799
  101   2HE   LYS  14          1HE       LYS  14 -13.505  -1.258  -1.258
  102   1HZ   LYS  14          3HZ       LYS  14 -11.104  -2.943  -2.943
  103   2HZ   LYS  14          2HZ       LYS  14 -12.480  -3.104  -3.104
  104   3HZ   LYS  14          1HZ       LYS  14 -12.522  -3.335  -3.335
  105    H    THR  15           H        THR  15  -6.903  -1.514  -1.514
  106    HA   THR  15           HA       THR  15  -7.199   0.032   0.032
  107    HB   THR  15           HB       THR  15  -4.955  -1.916  -1.916
  108    HG1  THR  15           HG1      THR  15  -6.845  -2.974  -2.974
  109   1HG2  THR  15          3HG2      THR  15  -6.150  -1.037  -1.037
  110   2HG2  THR  15          1HG2      THR  15  -4.979  -2.353  -2.353
  111   3HG2  THR  15          2HG2      THR  15  -4.505  -0.685  -0.685
  112    H    CYS  16           H        CYS  16  -4.893   0.268   0.268
  113    HA   CYS  16           HA       CYS  16  -3.608   2.612   2.612
  114   1HB   CYS  16          1HB       CYS  16  -2.462   0.692   0.692
  115   2HB   CYS  16          2HB       CYS  16  -1.778   2.271   2.271
  116    H    HIS  17           HN       HIS  17  -4.904   1.284   1.284
  117    HA   HIS  17           HA       HIS  17  -4.542   3.889   3.889
  118   1HB   HIS  17          2HB       HIS  17  -5.592   1.220   1.220
  119   2HB   HIS  17          1HB       HIS  17  -5.147   2.588   2.588
  120    HD1  HIS  17           HD1      HIS  17  -2.706   3.538   3.538
  121    HD2  HIS  17           HD2      HIS  17  -3.183  -0.431  -0.431
  122    HE1  HIS  17           HE1      HIS  17  -0.457   2.414   2.414
  123    H    SER  18           H        SER  18  -6.330   4.193   4.193
  124    HA   SER  18           HA       SER  18  -9.090   3.715   3.715
  125   1HB   SER  18          1HB       SER  18  -7.832   6.491   6.491
  126   2HB   SER  18          2HB       SER  18  -9.552   6.256   6.256
  127    HG   SER  18           HG       SER  18  -8.117   5.400   5.400
  128    H    ILE  19           H        ILE  19 -10.559   4.675   4.675
  129    HA   ILE  19           HA       ILE  19  -9.223   4.944   4.944
  130    HB   ILE  19           HB       ILE  19 -11.513   3.034   3.034
  131   1HG1  ILE  19          2HG1      ILE  19  -8.662   2.590   2.590
  132   2HG1  ILE  19          1HG1      ILE  19  -9.253   2.138   2.138
  133   1HG2  ILE  19          1HG2      ILE  19 -11.738   4.315   4.315
  134   2HG2  ILE  19          2HG2      ILE  19 -10.218   3.522   3.522
  135   3HG2  ILE  19          3HG2      ILE  19 -11.668   2.566   2.566
  136   1HD1  ILE  19          1HD1      ILE  19 -10.884   0.572   0.572
  137   2HD1  ILE  19          3HD1      ILE  19 -10.144   0.932   0.932
  138   3HD1  ILE  19          2HD1      ILE  19  -9.186   0.171   0.171
  139    H    ILE  20           H        ILE  20 -10.053   6.610   6.610
  140    HA   ILE  20           HA       ILE  20 -12.482   7.977   7.977
  141    HB   ILE  20           HB       ILE  20 -10.056   8.954   8.954
  142   1HG1  ILE  20          1HG1      ILE  20 -11.138  11.338  11.338
  143   2HG1  ILE  20          2HG1      ILE  20 -12.591  10.351  10.351
  144   1HG2  ILE  20          2HG2      ILE  20  -9.296   8.854   8.854
  145   2HG2  ILE  20          1HG2      ILE  20 -10.472  10.134  10.134
  146   3HG2  ILE  20          3HG2      ILE  20  -9.160  10.439  10.439
  147   1HD1  ILE  20          3HD1      ILE  20 -12.034   9.342   9.342
  148   2HD1  ILE  20          2HD1      ILE  20 -10.773  10.573  10.573
  149   3HD1  ILE  20          1HD1      ILE  20 -12.473  11.066  11.066
  150    H    ALA  21           H        ALA  21 -13.999   8.630   8.630
  151    HA   ALA  21           HA       ALA  21 -13.652   7.582   7.582
  152   1HB   ALA  21          3HB       ALA  21 -15.850   7.806   7.806
  153   2HB   ALA  21          1HB       ALA  21 -15.705   9.570   9.570
  154   3HB   ALA  21          2HB       ALA  21 -15.849   8.584   8.584
  155    HA   PRO  22           HA       PRO  22 -11.652  10.999  10.999
  156   1HB   PRO  22          2HB       PRO  22 -14.036  11.191  11.191
  157   2HB   PRO  22          1HB       PRO  22 -12.297  11.187  11.187
  158   1HG   PRO  22          2HG       PRO  22 -13.746   8.918   8.918
  159   2HG   PRO  22          1HG       PRO  22 -12.136   8.841   8.841
  160   1HD   PRO  22          2HD       PRO  22 -14.843   8.905   8.905
  161   2HD   PRO  22          1HD       PRO  22 -13.453   7.834   7.834
  162    H    ASP  23           HN       ASP  23 -15.145  11.461  11.461
  163    HA   ASP  23           HA       ASP  23 -15.112  14.341  14.341
  164   1HB   ASP  23          1HB       ASP  23 -17.471  14.015  14.015
  165   2HB   ASP  23          2HB       ASP  23 -17.083  13.095  13.095
  166    H    GLY  24           H        GLY  24 -14.001  12.130  12.130
  167   1HA   GLY  24          1HA       GLY  24 -13.042  12.903  12.903
  168   2HA   GLY  24          2HA       GLY  24 -14.254  14.172  14.172
  169    H    THR  25           H        THR  25 -16.335  11.803  11.803
  170    HA   THR  25           HA       THR  25 -17.107  11.353  11.353
  171    HB   THR  25           HB       THR  25 -17.818   9.713   9.713
  172    HG1  THR  25           HG1      THR  25 -18.416  11.821  11.821
  173   1HG2  THR  25          2HG2      THR  25 -19.205   9.995   9.995
  174   2HG2  THR  25          3HG2      THR  25 -19.875   9.179   9.179
  175   3HG2  THR  25          1HG2      THR  25 -18.440   8.517   8.517
  176    H    GLU  26           HN       GLU  26 -16.065  10.186  10.186
  177    HA   GLU  26           HA       GLU  26 -13.974   8.344   8.344
  178   1HB   GLU  26          1HB       GLU  26 -13.968   7.887   7.887
  179   2HB   GLU  26          2HB       GLU  26 -13.987   9.613   9.613
  180   1HG   GLU  26          1HG       GLU  26 -16.513   9.591   9.591
  181   2HG   GLU  26          2HG       GLU  26 -16.313   7.939   7.939
  182    H    ILE  27           H        ILE  27 -13.989   6.266   6.266
  183    HA   ILE  27           HA       ILE  27 -16.601   4.819   4.819
  184    HB   ILE  27           HB       ILE  27 -13.930   4.212   4.212
  185   1HG1  ILE  27          2HG1      ILE  27 -14.853   6.144   6.144
  186   2HG1  ILE  27          1HG1      ILE  27 -15.133   4.753   4.753
  187   1HG2  ILE  27          1HG2      ILE  27 -16.628   2.812   2.812
  188   2HG2  ILE  27          2HG2      ILE  27 -15.250   2.531   2.531
  189   3HG2  ILE  27          3HG2      ILE  27 -15.118   2.145   2.145
  190   1HD1  ILE  27          2HD1      ILE  27 -17.518   4.655   4.655
  191   2HD1  ILE  27          1HD1      ILE  27 -17.170   6.221   6.221
  192   3HD1  ILE  27          3HD1      ILE  27 -17.141   6.065   6.065
  193    H    VAL  28           H        VAL  28 -13.182   4.488   4.488
  194    HA   VAL  28           HA       VAL  28 -14.124   2.574   2.574
  195    HB   VAL  28           HB       VAL  28 -11.417   2.510   2.510
  196   1HG1  VAL  28          2HG2      VAL  28 -12.604   0.882   0.882
  197   2HG1  VAL  28          3HG2      VAL  28 -11.070   0.553   0.553
  198   3HG1  VAL  28          1HG2      VAL  28 -11.253   2.033   2.033
  199   1HG2  VAL  28          2HG1      VAL  28 -13.783   0.571   0.571
  200   2HG2  VAL  28          1HG1      VAL  28 -13.190   1.473   1.473
  201   3HG2  VAL  28          3HG1      VAL  28 -12.180   0.216   0.216
  202    H    LYS  29           HN       LYS  29 -14.479   4.006   4.006
  203    HA   LYS  29           HA       LYS  29 -12.691   6.241   6.241
  204   1HB   LYS  29          2HB       LYS  29 -15.115   6.398   6.398
  205   2HB   LYS  29          1HB       LYS  29 -15.148   5.099   5.099
  206   1HG   LYS  29          2HG       LYS  29 -13.732   6.528   6.528
  207   2HG   LYS  29          1HG       LYS  29 -13.756   7.798   7.798
  208   1HD   LYS  29          1HD       LYS  29 -16.326   7.743   7.743
  209   2HD   LYS  29          2HD       LYS  29 -16.133   6.603   6.603
  210   1HE   LYS  29          1HE       LYS  29 -16.464   8.831   8.831
  211   2HE   LYS  29          2HE       LYS  29 -14.802   8.326   8.326
  212   1HZ   LYS  29          1HZ       LYS  29 -15.623  10.054  10.054
  213   2HZ   LYS  29          2HZ       LYS  29 -14.971  10.587  10.587
  214   3HZ   LYS  29          3HZ       LYS  29 -14.077   9.657   9.657
  215    H    GLY  30           H        GLY  30 -10.837   4.791   4.791
  216   1HA   GLY  30          1HA       GLY  30 -10.651   2.998   2.998
  217   2HA   GLY  30          2HA       GLY  30  -9.569   3.066   3.066
  218    H    ALA  31           H        ALA  31  -7.808   3.430   3.430
  219    HA   ALA  31           HA       ALA  31  -7.697   6.035   6.035
  220   1HB   ALA  31          1HB       ALA  31  -6.863   3.939   3.939
  221   2HB   ALA  31          3HB       ALA  31  -5.628   3.833   3.833
  222   3HB   ALA  31          2HB       ALA  31  -5.633   5.205   5.205
  223    H    LYS  32           HN       LYS  32  -5.301   6.995   6.995
  224    HA   LYS  32           HA       LYS  32  -4.632   7.149   7.149
  225   1HB   LYS  32          1HB       LYS  32  -5.934   9.190   9.190
  226   2HB   LYS  32          2HB       LYS  32  -4.377   9.521   9.521
  227   1HG   LYS  32          1HG       LYS  32  -4.393  10.841  10.841
  228   2HG   LYS  32          2HG       LYS  32  -3.389   9.461   9.461
  229   1HD   LYS  32          1HD       LYS  32  -5.377   8.440   8.440
  230   2HD   LYS  32          2HD       LYS  32  -6.377   9.785   9.785
  231   1HE   LYS  32          2HE       LYS  32  -5.801  10.216  10.216
  232   2HE   LYS  32          1HE       LYS  32  -4.923  11.379  11.379
  233   1HZ   LYS  32          3HZ       LYS  32  -3.749   8.874   8.874
  234   2HZ   LYS  32          1HZ       LYS  32  -3.606  10.334  10.334
  235   3HZ   LYS  32          2HZ       LYS  32  -2.962  10.133  10.133
  236    H    THR  33           H        THR  33  -3.638   5.503   5.503
  237    HA   THR  33           HA       THR  33  -1.114   6.558   6.558
  238    HB   THR  33           HB       THR  33  -1.642   3.632   3.632
  239    HG1  THR  33           HG1      THR  33  -3.198   3.773   3.773
  240   1HG2  THR  33          2HG2      THR  33   0.297   4.564   4.564
  241   2HG2  THR  33          1HG2      THR  33  -0.817   5.479   5.479
  242   3HG2  THR  33          3HG2      THR  33  -0.818   3.703   3.703
  243    H    GLY  34           H        GLY  34  -2.355   4.782   4.782
  244   1HA   GLY  34          1HA       GLY  34   0.331   4.896   4.896
  245   2HA   GLY  34          2HA       GLY  34  -0.851   3.609   3.609
  246    HA   PRO  35           HA       PRO  35  -1.643   7.501   7.501
  247   1HB   PRO  35          2HB       PRO  35  -1.246   6.239   6.239
  248   2HB   PRO  35          1HB       PRO  35  -0.014   7.136   7.136
  249   1HG   PRO  35          1HG       PRO  35  -0.556   4.158   4.158
  250   2HG   PRO  35          2HG       PRO  35   1.009   4.959   4.959
  251   1HD   PRO  35          1HD       PRO  35   0.532   4.172   4.172
  252   2HD   PRO  35          2HD       PRO  35   1.053   5.842   5.842
  253    H    ASN  36           H        ASN  36  -3.297   7.565   7.565
  254    HA   ASN  36           HA       ASN  36  -5.594   5.846   5.846
  255   1HB   ASN  36          1HB       ASN  36  -5.722   8.233   8.233
  256   2HB   ASN  36          2HB       ASN  36  -5.531   8.588   8.588
  257   1HD2  ASN  36          1HD2      ASN  36  -8.849   7.534   7.534
  258   2HD2  ASN  36          2HD2      ASN  36  -7.221   7.623   7.623
  259    H    LEU  37           H        LEU  37  -4.791   4.117   4.117
  260    HA   LEU  37           HA       LEU  37  -4.031   3.723   3.723
  261   1HB   LEU  37          2HB       LEU  37  -5.818   2.347   2.347
  262   2HB   LEU  37          1HB       LEU  37  -5.580   1.552   1.552
  263    HG   LEU  37           HG       LEU  37  -3.334   1.474   1.474
  264   1HD1  LEU  37          1HD2      LEU  37  -3.163   3.189   3.189
  265   2HD1  LEU  37          2HD2      LEU  37  -1.853   2.153   2.153
  266   3HD1  LEU  37          3HD2      LEU  37  -2.446   3.467   3.467
  267   1HD2  LEU  37          3HD1      LEU  37  -4.432  -0.279  -0.279
  268   2HD2  LEU  37          2HD1      LEU  37  -2.923   0.125   0.125
  269   3HD2  LEU  37          1HD1      LEU  37  -4.454   0.737   0.737
  270    H    TYR  38           H        TYR  38  -6.863   5.442   5.442
  271    HA   TYR  38           HA       TYR  38  -8.092   3.968   3.968
  272   1HB   TYR  38          2HB       TYR  38  -9.393   5.537   5.537
  273   2HB   TYR  38          1HB       TYR  38  -8.454   6.882   6.882
  274    HD1  TYR  38           HD1      TYR  38  -8.828   7.707   7.707
  275    HD2  TYR  38           HD2      TYR  38 -11.132   4.430   4.430
  276    HE1  TYR  38           HE1      TYR  38 -10.122   7.589   7.589
  277    HE2  TYR  38           HE2      TYR  38 -12.560   4.473   4.473
  278    HH   TYR  38           HH       TYR  38 -11.705   6.236   6.236
  279    H    GLY  39           H        GLY  39  -6.082   3.557   3.557
  280   1HA   GLY  39          1HA       GLY  39  -5.647   4.257   4.257
  281   2HA   GLY  39          2HA       GLY  39  -5.291   5.861   5.861
  282    H    VAL  40           H        VAL  40  -4.074   2.917   2.917
  283    HA   VAL  40           HA       VAL  40  -1.415   3.856   3.856
  284    HB   VAL  40           HB       VAL  40  -2.317   0.974   0.974
  285   1HG1  VAL  40          2HG2      VAL  40   0.291   2.407   2.407
  286   2HG1  VAL  40          1HG2      VAL  40  -0.129   0.739   0.739
  287   3HG1  VAL  40          3HG2      VAL  40   0.109   1.151   1.151
  288   1HG2  VAL  40          3HG1      VAL  40  -1.854   3.310   3.310
  289   2HG2  VAL  40          1HG1      VAL  40  -3.323   2.318   2.318
  290   3HG2  VAL  40          2HG1      VAL  40  -1.863   1.609   1.609
  291    H    VAL  41           H        VAL  41  -3.064   1.394   1.394
  292    HA   VAL  41           HA       VAL  41  -0.734   0.539   0.539
  293    HB   VAL  41           HB       VAL  41  -3.579   0.610   0.610
  294   1HG1  VAL  41          1HG2      VAL  41  -1.119  -0.889  -0.889
  295   2HG1  VAL  41          2HG2      VAL  41  -2.790  -1.198  -1.198
  296   3HG1  VAL  41          3HG2      VAL  41  -2.032   0.355   0.355
  297   1HG2  VAL  41          1HG1      VAL  41  -1.865  -1.540  -1.540
  298   2HG2  VAL  41          3HG1      VAL  41  -3.236  -0.714  -0.714
  299   3HG2  VAL  41          2HG1      VAL  41  -3.510  -1.780  -1.780
  300    H    GLY  42           H        GLY  42   0.637   1.501   1.501
  301   1HA   GLY  42          1HA       GLY  42   1.363   2.762   2.762
  302   2HA   GLY  42          2HA       GLY  42  -0.149   3.680   3.680
  303    H    ARG  43           HN       ARG  43   0.312   3.846   3.846
  304    HA   ARG  43           HA       ARG  43   1.381   6.488   6.488
  305   1HB   ARG  43          1HB       ARG  43  -0.289   5.464   5.464
  306   2HB   ARG  43          2HB       ARG  43   1.136   4.796   4.796
  307   1HG   ARG  43          1HG       ARG  43   0.663   6.795   6.795
  308   2HG   ARG  43          2HG       ARG  43   2.010   7.221   7.221
  309   1HD   ARG  43          2HD       ARG  43   0.287   8.129   8.129
  310   2HD   ARG  43          1HD       ARG  43  -0.963   7.765   7.765
  311    HE   ARG  43           HE       ARG  43   1.106   9.369   9.369
  312   1HH1  ARG  43          2HH1      ARG  43  -1.486   9.600   9.600
  313   2HH1  ARG  43          1HH1      ARG  43  -1.671  11.327  11.327
  314   1HH2  ARG  43          2HH2      ARG  43   0.818  11.608  11.608
  315   2HH2  ARG  43          1HH2      ARG  43  -0.296  12.503  12.503
  316    H    THR  44           H        THR  44   3.395   7.284   7.284
  317    HA   THR  44           HA       THR  44   5.662   5.474   5.474
  318    HB   THR  44           HB       THR  44   5.472   8.476   8.476
  319    HG1  THR  44           HG1      THR  44   4.649   7.310   7.310
  320   1HG2  THR  44          1HG2      THR  44   7.829   6.678   6.678
  321   2HG2  THR  44          3HG2      THR  44   7.811   8.438   8.438
  322   3HG2  THR  44          2HG2      THR  44   7.697   7.775   7.775
  323    H    ALA  45           H        ALA  45   5.343   4.152   4.152
  324    HA   ALA  45           HA       ALA  45   5.492   3.510   3.510
  325   1HB   ALA  45          3HB       ALA  45   7.847   4.252   4.252
  326   2HB   ALA  45          1HB       ALA  45   7.574   5.675   5.675
  327   3HB   ALA  45          2HB       ALA  45   7.542   4.051   4.051
  328    H    GLY  46           H        GLY  46   6.454   5.364   5.364
  329   1HA   GLY  46          1HA       GLY  46   3.958   6.254   6.254
  330   2HA   GLY  46          2HA       GLY  46   5.581   6.526   6.526
  331    H    THR  47           H        THR  47   3.401   7.601   7.601
  332    HA   THR  47           HA       THR  47   4.129  10.448  10.448
  333    HB   THR  47           HB       THR  47   3.780  10.831  10.831
  334    HG1  THR  47           HG1      THR  47   4.425   8.093   8.093
  335   1HG2  THR  47          2HG2      THR  47   6.181   9.166   9.166
  336   2HG2  THR  47          1HG2      THR  47   6.075  10.171  10.171
  337   3HG2  THR  47          3HG2      THR  47   6.006  10.923  10.923
  338    H    TYR  48           H        TYR  48   1.636   8.388   8.388
  339    HA   TYR  48           HA       TYR  48  -0.493   9.846   9.846
  340   1HB   TYR  48          1HB       TYR  48  -0.515   7.424   7.424
  341   2HB   TYR  48          2HB       TYR  48  -0.812   8.139   8.139
  342    HD1  TYR  48           HD1      TYR  48  -2.934   9.420   9.420
  343    HD2  TYR  48           HD2      TYR  48  -2.181   7.451   7.451
  344    HE1  TYR  48           HE1      TYR  48  -5.297   9.767   9.767
  345    HE2  TYR  48           HE2      TYR  48  -4.529   7.772   7.772
  346    HH   TYR  48           HH       TYR  48  -6.644   8.204   8.204
  347    HA   PRO  49           HA       PRO  49  -0.118  13.354  13.354
  348   1HB   PRO  49          1HB       PRO  49  -2.685  14.441  14.441
  349   2HB   PRO  49          2HB       PRO  49  -1.505  14.561  14.561
  350   1HG   PRO  49          2HG       PRO  49  -3.712  12.509  12.509
  351   2HG   PRO  49          1HG       PRO  49  -3.361  13.515  13.515
  352   1HD   PRO  49          1HD       PRO  49  -2.449  11.007  11.007
  353   2HD   PRO  49          2HD       PRO  49  -1.340  12.291  12.291
  354    H    GLU  50           HN       GLU  50  -0.853  14.407  14.407
  355    HA   GLU  50           HA       GLU  50  -1.187  14.429  14.429
  356   1HB   GLU  50          1HB       GLU  50  -3.557  12.626  12.626
  357   2HB   GLU  50          2HB       GLU  50  -3.320  13.558  13.558
  358   1HG   GLU  50          1HG       GLU  50  -3.380  15.670  15.670
  359   2HG   GLU  50          2HG       GLU  50  -3.654  14.742  14.742
  360    H    PHE  51           H        PHE  51   0.919  12.835  12.835
  361    HA   PHE  51           HA       PHE  51   0.748  11.128  11.128
  362   1HB   PHE  51          2HB       PHE  51  -0.212   9.704   9.704
  363   2HB   PHE  51          1HB       PHE  51   1.409   9.713   9.713
  364    HD1  PHE  51           HD1      PHE  51  -0.629   8.912   8.912
  365    HD2  PHE  51           HD2      PHE  51   3.226   8.493   8.493
  366    HE1  PHE  51           HE1      PHE  51   0.167   7.600   7.600
  367    HE2  PHE  51           HE2      PHE  51   3.937   6.950   6.950
  368    HZ   PHE  51           HZ       PHE  51   2.374   6.457   6.457
  369    H    LYS  52           HN       LYS  52   2.539  11.496  11.496
  370    HA   LYS  52           HA       LYS  52   4.936  12.527  12.527
  371   1HB   LYS  52          2HB       LYS  52   3.922  13.195  13.195
  372   2HB   LYS  52          1HB       LYS  52   4.661  11.739  11.739
  373   1HG   LYS  52          1HG       LYS  52   6.062  14.090  14.090
  374   2HG   LYS  52          2HG       LYS  52   6.002  13.749  13.749
  375   1HD   LYS  52          1HD       LYS  52   7.243  11.569  11.569
  376   2HD   LYS  52          2HD       LYS  52   7.413  12.094  12.094
  377   1HE   LYS  52          2HE       LYS  52   9.447  12.606  12.606
  378   2HE   LYS  52          1HE       LYS  52   8.635  14.123  14.123
  379   1HZ   LYS  52          3HZ       LYS  52   8.574  12.813  12.813
  380   2HZ   LYS  52          1HZ       LYS  52   9.500  14.115  14.115
  381   3HZ   LYS  52          2HZ       LYS  52   7.860  14.251  14.251
  382    H    TYR  53           H        TYR  53   5.275  10.659  10.659
  383    HA   TYR  53           HA       TYR  53   5.954   8.046   8.046
  384   1HB   TYR  53          1HB       TYR  53   7.018   9.562   9.562
  385   2HB   TYR  53          2HB       TYR  53   7.116   7.825   7.825
  386    HD1  TYR  53           HD1      TYR  53   4.982   6.415   6.415
  387    HD2  TYR  53           HD2      TYR  53   5.065  10.592  10.592
  388    HE1  TYR  53           HE1      TYR  53   2.818   6.166   6.166
  389    HE2  TYR  53           HE2      TYR  53   2.870  10.350  10.350
  390    HH   TYR  53           HH       TYR  53   1.066   8.975   8.975
  391    H    LYS  54           HN       LYS  54   8.153   7.035   7.035
  392    HA   LYS  54           HA       LYS  54  10.204   8.852   8.852
  393   1HB   LYS  54          2HB       LYS  54  10.588   5.906   5.906
  394   2HB   LYS  54          1HB       LYS  54  11.247   7.077   7.077
  395   1HG   LYS  54          2HG       LYS  54   8.847   7.401   7.401
  396   2HG   LYS  54          1HG       LYS  54   8.435   5.928   5.928
  397   1HD   LYS  54          2HD       LYS  54  10.447   6.281   6.281
  398   2HD   LYS  54          1HD       LYS  54   8.964   5.321   5.321
  399   1HE   LYS  54          1HE       LYS  54  11.523   4.726   4.726
  400   2HE   LYS  54          2HE       LYS  54  10.896   3.842   3.842
  401   1HZ   LYS  54          1HZ       LYS  54   9.532   4.061   4.061
  402   2HZ   LYS  54          3HZ       LYS  54  10.407   2.763   2.763
  403   3HZ   LYS  54          2HZ       LYS  54   9.024   3.200   3.200
  404    H    ASP  55           HN       ASP  55  12.443   8.137   8.137
  405    HA   ASP  55           HA       ASP  55  13.135   8.936   8.936
  406   1HB   ASP  55          1HB       ASP  55  14.794   7.187   7.187
  407   2HB   ASP  55          2HB       ASP  55  15.401   8.272   8.272
  408    H    SER  56           H        SER  56  12.415   5.563   5.563
  409    HA   SER  56           HA       SER  56  14.080   4.264   4.264
  410   1HB   SER  56          1HB       SER  56  12.568   2.340   2.340
  411   2HB   SER  56          2HB       SER  56  13.536   3.193   3.193
  412    HG   SER  56           HG       SER  56  11.366   2.991   2.991
  413    H    ILE  57           H        ILE  57  10.617   4.263   4.263
  414    HA   ILE  57           HA       ILE  57   9.875   3.553   3.553
  415    HB   ILE  57           HB       ILE  57   8.655   3.504   3.504
  416   1HG1  ILE  57          2HG1      ILE  57   7.152   4.233   4.233
  417   2HG1  ILE  57          1HG1      ILE  57   7.756   2.628   2.628
  418   1HG2  ILE  57          3HG2      ILE  57   8.696   5.904   5.904
  419   2HG2  ILE  57          1HG2      ILE  57   7.582   6.184   6.184
  420   3HG2  ILE  57          2HG2      ILE  57   7.074   5.237   5.237
  421   1HD1  ILE  57          2HD1      ILE  57   6.246   2.616   2.616
  422   2HD1  ILE  57          1HD1      ILE  57   5.530   4.142   4.142
  423   3HD1  ILE  57          3HD1      ILE  57   5.397   2.678   2.678
  424    H    VAL  58           H        VAL  58  10.434   6.850   6.850
  425    HA   VAL  58           HA       VAL  58   9.544   8.250   8.250
  426    HB   VAL  58           HB       VAL  58  11.563   8.899   8.899
  427   1HG1  VAL  58          1HG2      VAL  58  10.641  10.689  10.689
  428   2HG1  VAL  58          2HG2      VAL  58  11.450  11.265  11.265
  429   3HG1  VAL  58          3HG2      VAL  58  12.311  10.195  10.195
  430   1HG2  VAL  58          1HG1      VAL  58   9.048   8.795   8.795
  431   2HG2  VAL  58          3HG1      VAL  58   9.792  10.375  10.375
  432   3HG2  VAL  58          2HG1      VAL  58   8.830  10.106  10.106
  433    H    ALA  59           H        ALA  59  12.868   7.027   7.027
  434    HA   ALA  59           HA       ALA  59  14.099   7.853   7.853
  435   1HB   ALA  59          2HB       ALA  59  14.746   5.487   5.487
  436   2HB   ALA  59          3HB       ALA  59  15.808   6.151   6.151
  437   3HB   ALA  59          1HB       ALA  59  15.378   7.140   7.140
  438    H    LEU  60           H        LEU  60  12.363   4.857   4.857
  439    HA   LEU  60           HA       LEU  60  12.738   3.467   3.467
  440   1HB   LEU  60          1HB       LEU  60  11.629   2.789   2.789
  441   2HB   LEU  60          2HB       LEU  60  10.142   3.422   3.422
  442    HG   LEU  60           HG       LEU  60  10.445   1.798   1.798
  443   1HD1  LEU  60          3HD2      LEU  60  12.576   0.608   0.608
  444   2HD1  LEU  60          2HD2      LEU  60  11.902  -0.162  -0.162
  445   3HD1  LEU  60          1HD2      LEU  60  12.882   1.294   1.294
  446   1HD2  LEU  60          2HD1      LEU  60   8.955   1.369   1.369
  447   2HD2  LEU  60          1HD1      LEU  60   9.683  -0.133  -0.133
  448   3HD2  LEU  60          3HD1      LEU  60  10.334   0.649   0.649
  449    H    GLY  61           H        GLY  61  10.201   5.861   5.861
  450   1HA   GLY  61          1HA       GLY  61   8.848   6.006   6.006
  451   2HA   GLY  61          2HA       GLY  61   9.009   7.329   7.329
  452    H    ALA  62           H        ALA  62  11.661   7.910   7.910
  453    HA   ALA  62           HA       ALA  62  12.052   9.471   9.471
  454   1HB   ALA  62          2HB       ALA  62  13.195   9.816   9.816
  455   2HB   ALA  62          3HB       ALA  62  14.249   8.427   8.427
  456   3HB   ALA  62          1HB       ALA  62  14.299   9.859   9.859
  457    H    SER  63           H        SER  63  13.163   6.107   6.107
  458    HA   SER  63           HA       SER  63  14.654   6.026   6.026
  459   1HB   SER  63          2HB       SER  63  14.996   3.694   3.694
  460   2HB   SER  63          1HB       SER  63  15.254   4.653   4.653
  461    HG   SER  63           HG       SER  63  12.835   4.034   4.034
  462    H    GLY  64           H        GLY  64  11.415   6.411   6.411
  463   1HA   GLY  64          1HA       GLY  64   9.874   6.339   6.339
  464   2HA   GLY  64          2HA       GLY  64  10.978   5.409   5.409
  465    H    PHE  65           H        PHE  65  10.132   4.394   4.394
  466    HA   PHE  65           HA       PHE  65   9.168   1.873   1.873
  467   1HB   PHE  65          2HB       PHE  65  10.370   1.971   1.971
  468   2HB   PHE  65          1HB       PHE  65   9.174   3.069   3.069
  469    HD1  PHE  65           HD1      PHE  65   9.073  -0.298  -0.298
  470    HD2  PHE  65           HD2      PHE  65   7.801   2.082   2.082
  471    HE1  PHE  65           HE1      PHE  65   7.678  -2.158  -2.158
  472    HE2  PHE  65           HE2      PHE  65   6.520   0.185   0.185
  473    HZ   PHE  65           HZ       PHE  65   6.394  -1.918  -1.918
  474    H    ALA  66           H        ALA  66   7.500   2.589   2.589
  475    HA   ALA  66           HA       ALA  66   4.968   3.603   3.603
  476   1HB   ALA  66          1HB       ALA  66   5.623   2.058   2.058
  477   2HB   ALA  66          2HB       ALA  66   4.099   2.905   2.905
  478   3HB   ALA  66          3HB       ALA  66   5.608   3.826   3.826
  479    H    TRP  67           H        TRP  67   3.904   2.426   2.426
  480    HA   TRP  67           HA       TRP  67   4.206  -0.272  -0.272
  481   1HB   TRP  67          2HB       TRP  67   1.947   1.711   1.711
  482   2HB   TRP  67          1HB       TRP  67   1.734   0.040   0.040
  483    HD1  TRP  67           HD1      TRP  67   2.600   3.181   3.181
  484    HE1  TRP  67           HE1      TRP  67   3.491   2.815   2.815
  485    HE3  TRP  67           HE3      TRP  67   3.649  -1.826  -1.826
  486    HZ2  TRP  67           HZ2      TRP  67   4.764   0.728   0.728
  487    HZ3  TRP  67           HZ3      TRP  67   4.730  -2.962  -2.962
  488    HH2  TRP  67           HH2      TRP  67   5.385  -1.664  -1.664
  489    H    THR  68           H        THR  68   3.844  -2.058  -2.058
  490    HA   THR  68           HA       THR  68   1.502  -2.093  -2.093
  491    HB   THR  68           HB       THR  68   2.356  -4.195  -4.195
  492    HG1  THR  68           HG1      THR  68   4.663  -4.051  -4.051
  493   1HG2  THR  68          1HG2      THR  68   3.354  -2.162  -2.162
  494   2HG2  THR  68          2HG2      THR  68   4.671  -2.226  -2.226
  495   3HG2  THR  68          3HG2      THR  68   4.483  -3.534  -3.534
  496    H    GLU  69           HN       GLU  69  -0.019  -3.958  -3.958
  497    HA   GLU  69           HA       GLU  69  -0.903  -4.405  -4.405
  498   1HB   GLU  69          2HB       GLU  69  -2.414  -6.015  -6.015
  499   2HB   GLU  69          1HB       GLU  69  -2.260  -4.583  -4.583
  500   1HG   GLU  69          1HG       GLU  69  -0.679  -5.852  -5.852
  501   2HG   GLU  69          2HG       GLU  69  -0.994  -7.293  -7.293
  502    H    GLU  70           HN       GLU  70   1.257  -6.169  -6.169
  503    HA   GLU  70           HA       GLU  70   1.643  -8.564  -8.564
  504   1HB   GLU  70          2HB       GLU  70   3.701  -7.073  -7.073
  505   2HB   GLU  70          1HB       GLU  70   3.747  -8.773  -8.773
  506   1HG   GLU  70          1HG       GLU  70   1.615  -7.489  -7.489
  507   2HG   GLU  70          2HG       GLU  70   3.038  -8.377  -8.377
  508    H    ASP  71           HN       ASP  71   3.566  -5.541  -5.541
  509    HA   ASP  71           HA       ASP  71   5.337  -6.198  -6.198
  510   1HB   ASP  71          1HB       ASP  71   4.379  -3.523  -3.523
  511   2HB   ASP  71          2HB       ASP  71   5.590  -3.719  -3.719
  512    H    ILE  72           H        ILE  72   2.203  -4.389  -4.389
  513    HA   ILE  72           HA       ILE  72   2.226  -3.856  -3.856
  514    HB   ILE  72           HB       ILE  72  -0.085  -4.429  -4.429
  515   1HG1  ILE  72          2HG1      ILE  72   0.878  -1.802  -1.802
  516   2HG1  ILE  72          1HG1      ILE  72   1.322  -2.360  -2.360
  517   1HG2  ILE  72          3HG2      ILE  72  -0.192  -3.425  -3.425
  518   2HG2  ILE  72          2HG2      ILE  72  -1.563  -3.439  -3.439
  519   3HG2  ILE  72          1HG2      ILE  72  -0.863  -4.955  -4.955
  520   1HD1  ILE  72          2HD1      ILE  72  -1.193  -2.527  -2.527
  521   2HD1  ILE  72          1HD1      ILE  72  -1.430  -1.541  -1.541
  522   3HD1  ILE  72          3HD1      ILE  72  -0.479  -0.912  -0.912
  523    H    ALA  73           H        ALA  73   0.856  -6.696  -6.696
  524    HA   ALA  73           HA       ALA  73   0.013  -8.174  -8.174
  525   1HB   ALA  73          3HB       ALA  73  -0.450  -8.775  -8.775
  526   2HB   ALA  73          2HB       ALA  73   1.238  -9.260  -9.260
  527   3HB   ALA  73          1HB       ALA  73   0.206 -10.144 -10.144
  528    H    THR  74           H        THR  74   3.239  -8.198  -8.198
  529    HA   THR  74           HA       THR  74   4.412 -10.124 -10.124
  530    HB   THR  74           HB       THR  74   5.845  -7.841  -7.841
  531    HG1  THR  74           HG1      THR  74   4.527  -8.936  -8.936
  532   1HG2  THR  74          2HG2      THR  74   7.238  -9.236  -9.236
  533   2HG2  THR  74          1HG2      THR  74   6.711 -10.687 -10.687
  534   3HG2  THR  74          3HG2      THR  74   7.692  -9.464  -9.464
  535    H    TYR  75           H        TYR  75   4.555  -6.525  -6.525
  536    HA   TYR  75           HA       TYR  75   6.064  -6.256  -6.256
  537   1HB   TYR  75          2HB       TYR  75   5.729  -4.373  -4.373
  538   2HB   TYR  75          1HB       TYR  75   3.990  -4.527  -4.527
  539    HD1  TYR  75           HD1      TYR  75   6.845  -3.890  -3.890
  540    HD2  TYR  75           HD2      TYR  75   2.657  -3.296  -3.296
  541    HE1  TYR  75           HE1      TYR  75   6.714  -2.263  -2.263
  542    HE2  TYR  75           HE2      TYR  75   2.537  -1.692  -1.692
  543    HH   TYR  75           HH       TYR  75   3.663  -0.751  -0.751
  544    H    VAL  76           H        VAL  76   2.500  -6.584  -6.584
  545    HA   VAL  76           HA       VAL  76   1.871  -6.366  -6.366
  546    HB   VAL  76           HB       VAL  76   0.559  -7.696  -7.696
  547   1HG1  VAL  76          3HG2      VAL  76  -0.567  -7.523  -7.523
  548   2HG1  VAL  76          2HG2      VAL  76  -1.537  -7.812  -7.812
  549   3HG1  VAL  76          1HG2      VAL  76  -0.307  -8.987  -8.987
  550   1HG2  VAL  76          2HG1      VAL  76   0.720  -5.160  -5.160
  551   2HG2  VAL  76          1HG1      VAL  76  -0.931  -5.791  -5.791
  552   3HG2  VAL  76          3HG1      VAL  76  -0.236  -5.272  -5.272
  553    H    LYS  77           HN       LYS  77   3.542  -8.992  -8.992
  554    HA   LYS  77           HA       LYS  77   3.094 -10.803 -10.803
  555   1HB   LYS  77          2HB       LYS  77   4.328 -11.321 -11.321
  556   2HB   LYS  77          1HB       LYS  77   4.051 -12.507 -12.507
  557   1HG   LYS  77          1HG       LYS  77   1.601 -11.998 -11.998
  558   2HG   LYS  77          2HG       LYS  77   1.880 -10.968 -10.968
  559   1HD   LYS  77          1HD       LYS  77   2.725 -13.903 -13.903
  560   2HD   LYS  77          2HD       LYS  77   1.148 -13.373 -13.373
  561   1HE   LYS  77          1HE       LYS  77   3.769 -12.411 -12.411
  562   2HE   LYS  77          2HE       LYS  77   2.863 -13.819 -13.819
  563   1HZ   LYS  77          2HZ       LYS  77   0.981 -12.420 -12.420
  564   2HZ   LYS  77          3HZ       LYS  77   1.817 -11.092 -11.092
  565   3HZ   LYS  77          1HZ       LYS  77   2.297 -11.886 -11.886
  566    H    ASP  78           HN       ASP  78   5.344  -8.487  -8.487
  567    HA   ASP  78           HA       ASP  78   7.543  -9.562  -9.562
  568   1HB   ASP  78          2HB       ASP  78   7.977  -8.703  -8.703
  569   2HB   ASP  78          1HB       ASP  78   9.170  -9.346  -9.346
  570    HA   PRO  79           HA       PRO  79   6.767  -4.868  -4.868
  571   1HB   PRO  79          1HB       PRO  79   6.614  -4.634  -4.634
  572   2HB   PRO  79          2HB       PRO  79   5.212  -4.835  -4.835
  573   1HG   PRO  79          1HG       PRO  79   6.748  -6.975  -6.975
  574   2HG   PRO  79          2HG       PRO  79   4.978  -6.749  -6.749
  575   1HD   PRO  79          2HD       PRO  79   6.172  -8.564  -8.564
  576   2HD   PRO  79          1HD       PRO  79   4.922  -7.492  -7.492
  577    H    GLY  80           H        GLY  80   8.520  -3.553  -3.553
  578   1HA   GLY  80          1HA       GLY  80  10.630  -2.818  -2.818
  579   2HA   GLY  80          2HA       GLY  80  10.732  -4.060  -4.060
  580    H    ALA  81           H        ALA  81  10.675  -6.433  -6.433
  581    HA   ALA  81           HA       ALA  81  13.272  -6.736  -6.736
  582   1HB   ALA  81          3HB       ALA  81  10.816  -8.517  -8.517
  583   2HB   ALA  81          1HB       ALA  81  12.463  -9.007  -9.007
  584   3HB   ALA  81          2HB       ALA  81  12.092  -8.586  -8.586
  585    H    PHE  82           H        PHE  82  10.080  -6.455  -6.455
  586    HA   PHE  82           HA       PHE  82  10.713  -6.665  -6.665
  587   1HB   PHE  82          1HB       PHE  82   8.474  -6.399  -6.399
  588   2HB   PHE  82          2HB       PHE  82   8.833  -4.761  -4.761
  589    HD1  PHE  82           HD2      PHE  82   8.038  -6.963  -6.963
  590    HD2  PHE  82           HD1      PHE  82   8.909  -2.908  -2.908
  591    HE1  PHE  82           HE2      PHE  82   7.471  -6.155  -6.155
  592    HE2  PHE  82           HE1      PHE  82   8.516  -2.149  -2.149
  593    HZ   PHE  82           HZ       PHE  82   7.892  -3.786  -3.786
  594    H    LEU  83           H        LEU  83  10.717  -3.579  -3.579
  595    HA   LEU  83           HA       LEU  83  11.677  -1.891  -1.891
  596   1HB   LEU  83          2HB       LEU  83  11.758  -1.788  -1.788
  597   2HB   LEU  83          1HB       LEU  83  12.361  -0.539  -0.539
  598    HG   LEU  83           HG       LEU  83   9.867  -0.737  -0.737
  599   1HD1  LEU  83          2HD2      LEU  83   9.596  -1.386  -1.386
  600   2HD1  LEU  83          1HD2      LEU  83   8.281  -0.870  -0.870
  601   3HD1  LEU  83          3HD2      LEU  83   9.088  -2.428  -2.428
  602   1HD2  LEU  83          1HD1      LEU  83  10.701   0.810   0.810
  603   2HD2  LEU  83          2HD1      LEU  83  11.009   1.332   1.332
  604   3HD2  LEU  83          3HD1      LEU  83   9.347   1.239   1.239
  605    H    LYS  84           HN       LYS  84  13.288  -3.643  -3.643
  606    HA   LYS  84           HA       LYS  84  15.884  -2.534  -2.534
  607   1HB   LYS  84          1HB       LYS  84  15.659  -3.244  -3.244
  608   2HB   LYS  84          2HB       LYS  84  14.719  -4.683  -4.683
  609   1HG   LYS  84          1HG       LYS  84  17.633  -4.458  -4.458
  610   2HG   LYS  84          2HG       LYS  84  17.147  -4.867  -4.867
  611   1HD   LYS  84          1HD       LYS  84  16.098  -6.860  -6.860
  612   2HD   LYS  84          2HD       LYS  84  15.792  -6.383  -6.383
  613   1HE   LYS  84          1HE       LYS  84  18.245  -6.520  -6.520
  614   2HE   LYS  84          2HE       LYS  84  18.537  -7.093  -7.093
  615   1HZ   LYS  84          1HZ       LYS  84  16.868  -8.421  -8.421
  616   2HZ   LYS  84          2HZ       LYS  84  18.382  -8.882  -8.882
  617   3HZ   LYS  84          3HZ       LYS  84  17.134  -8.971  -8.971
  618    H    GLU  85           HN       GLU  85  14.244  -5.370  -5.370
  619    HA   GLU  85           HA       GLU  85  16.531  -6.318  -6.318
  620   1HB   GLU  85          1HB       GLU  85  14.704  -7.754  -7.754
  621   2HB   GLU  85          2HB       GLU  85  13.532  -6.822  -6.822
  622   1HG   GLU  85          1HG       GLU  85  15.925  -8.095  -8.095
  623   2HG   GLU  85          2HG       GLU  85  14.509  -9.061  -9.061
  624    H    LYS  86           HN       LYS  86  13.523  -4.604  -4.604
  625    HA   LYS  86           HA       LYS  86  14.365  -4.208  -4.208
  626   1HB   LYS  86          2HB       LYS  86  12.502  -2.655  -2.655
  627   2HB   LYS  86          1HB       LYS  86  12.652  -2.284  -2.284
  628   1HG   LYS  86          2HG       LYS  86  12.189  -5.164  -5.164
  629   2HG   LYS  86          1HG       LYS  86  10.850  -4.042  -4.042
  630   1HD   LYS  86          1HD       LYS  86  10.922  -3.563  -3.563
  631   2HD   LYS  86          2HD       LYS  86  12.571  -4.185  -4.185
  632   1HE   LYS  86          1HE       LYS  86  11.005  -5.750  -5.750
  633   2HE   LYS  86          2HE       LYS  86  11.814  -6.482  -6.482
  634   1HZ   LYS  86          1HZ       LYS  86   9.843  -5.956  -5.956
  635   2HZ   LYS  86          2HZ       LYS  86   9.083  -5.387  -5.387
  636   3HZ   LYS  86          3HZ       LYS  86   9.518  -6.969  -6.969
  637    H    LEU  87           H        LEU  87  14.964  -1.991  -1.991
  638    HA   LEU  87           HA       LEU  87  16.434  -0.172  -0.172
  639   1HB   LEU  87          2HB       LEU  87  14.819   0.570   0.570
  640   2HB   LEU  87          1HB       LEU  87  15.924  -0.041  -0.041
  641    HG   LEU  87           HG       LEU  87  17.583   1.642   1.642
  642   1HD1  LEU  87          2HD2      LEU  87  15.629   2.443   2.443
  643   2HD1  LEU  87          1HD2      LEU  87  16.993   3.441   3.441
  644   3HD1  LEU  87          3HD2      LEU  87  17.304   1.876   1.876
  645   1HD2  LEU  87          3HD1      LEU  87  15.747   2.244   2.244
  646   2HD2  LEU  87          1HD1      LEU  87  16.358   3.639   3.639
  647   3HD2  LEU  87          2HD1      LEU  87  14.813   2.891   2.891
  648    H    ASP  88           HN       ASP  88  17.251  -3.078  -3.078
  649    HA   ASP  88           HA       ASP  88  19.058  -4.046  -4.046
  650   1HB   ASP  88          1HB       ASP  88  19.664  -3.718  -3.718
  651   2HB   ASP  88          2HB       ASP  88  20.449  -2.184  -2.184
  652    H    ASP  89           HN       ASP  89  18.201  -2.404  -2.404
  653    HA   ASP  89           HA       ASP  89  20.636  -1.211  -1.211
  654   1HB   ASP  89          1HB       ASP  89  19.492   0.614   0.614
  655   2HB   ASP  89          2HB       ASP  89  17.944   0.142   0.142
  656    H    LYS  90           HN       LYS  90  20.919  -2.217  -2.217
  657    HA   LYS  90           HA       LYS  90  19.199  -3.915  -3.915
  658   1HB   LYS  90          2HB       LYS  90  21.658  -3.792  -3.792
  659   2HB   LYS  90          1HB       LYS  90  21.501  -2.240  -2.240
  660   1HG   LYS  90          2HG       LYS  90  20.230  -3.354  -3.354
  661   2HG   LYS  90          1HG       LYS  90  20.315  -4.892  -4.892
  662   1HD   LYS  90          2HD       LYS  90  22.788  -4.875  -4.875
  663   2HD   LYS  90          1HD       LYS  90  22.734  -3.281  -3.281
  664   1HE   LYS  90          2HE       LYS  90  23.063  -5.001  -5.001
  665   2HE   LYS  90          1HE       LYS  90  21.489  -4.223  -4.223
  666   1HZ   LYS  90          1HZ       LYS  90  21.945  -6.805  -6.805
  667   2HZ   LYS  90          3HZ       LYS  90  21.376  -6.599  -6.599
  668   3HZ   LYS  90          2HZ       LYS  90  20.477  -6.096  -6.096
  669    H    LYS  91           HN       LYS  91  19.572  -0.364  -0.364
  670    HA   LYS  91           HA       LYS  91  17.867  -0.267  -0.267
  671   1HB   LYS  91          1HB       LYS  91  19.345   1.927   1.927
  672   2HB   LYS  91          2HB       LYS  91  18.491   2.125   2.125
  673   1HG   LYS  91          2HG       LYS  91  20.057   0.623   0.623
  674   2HG   LYS  91          1HG       LYS  91  20.861   0.240   0.240
  675   1HD   LYS  91          1HD       LYS  91  22.206   1.823   1.823
  676   2HD   LYS  91          2HD       LYS  91  21.595   2.565   2.565
  677   1HE   LYS  91          2HE       LYS  91  19.881   3.796   3.796
  678   2HE   LYS  91          1HE       LYS  91  20.360   2.961   2.961
  679   1HZ   LYS  91          3HZ       LYS  91  22.047   4.766   4.766
  680   2HZ   LYS  91          2HZ       LYS  91  21.302   5.136   5.136
  681   3HZ   LYS  91          1HZ       LYS  91  22.499   4.004   4.004
  682    H    ALA  92           H        ALA  92  17.022  -0.664  -0.664
  683    HA   ALA  92           HA       ALA  92  15.029   1.566   1.566
  684   1HB   ALA  92          2HB       ALA  92  15.568  -0.542  -0.542
  685   2HB   ALA  92          1HB       ALA  92  14.355   0.743   0.743
  686   3HB   ALA  92          3HB       ALA  92  16.076   1.152   1.152
  687    H    LYS  93           HN       LYS  93  13.863   1.022   1.022
  688    HA   LYS  93           HA       LYS  93  12.249  -1.497  -1.497
  689   1HB   LYS  93          2HB       LYS  93  13.033   0.127   0.127
  690   2HB   LYS  93          1HB       LYS  93  12.182  -1.428  -1.428
  691   1HG   LYS  93          2HG       LYS  93  14.252  -2.403  -2.403
  692   2HG   LYS  93          1HG       LYS  93  15.074  -0.868  -0.868
  693   1HD   LYS  93          1HD       LYS  93  14.466  -1.182  -1.182
  694   2HD   LYS  93          2HD       LYS  93  13.890  -2.805  -2.805
  695   1HE   LYS  93          2HE       LYS  93  16.737  -1.727  -1.727
  696   2HE   LYS  93          1HE       LYS  93  16.166  -2.913  -2.913
  697   1HZ   LYS  93          3HZ       LYS  93  15.616  -4.343  -4.343
  698   2HZ   LYS  93          2HZ       LYS  93  16.374  -3.256  -3.256
  699   3HZ   LYS  93          1HZ       LYS  93  17.226  -4.030  -4.030
  700    H    THR  94           H        THR  94  10.039  -1.308  -1.308
  701    HA   THR  94           HA       THR  94   8.804   1.321   1.321
  702    HB   THR  94           HB       THR  94   7.991  -0.571  -0.571
  703    HG1  THR  94           HG1      THR  94   5.836  -0.239  -0.239
  704   1HG2  THR  94          1HG2      THR  94   8.423  -2.394  -2.394
  705   2HG2  THR  94          2HG2      THR  94   7.011  -1.808  -1.808
  706   3HG2  THR  94          3HG2      THR  94   6.833  -2.463  -2.463
  707    H    GLY  95           H        GLY  95   7.145   2.122   2.122
  708   1HA   GLY  95          1HA       GLY  95   7.410   1.670   1.670
  709   2HA   GLY  95          2HA       GLY  95   6.200   2.667   2.667
  710    H    MET  96           H        MET  96   5.604   0.201   0.201
  711    HA   MET  96           HA       MET  96   3.346  -0.707  -0.707
  712   1HB   MET  96          1HB       MET  96   3.725  -0.481  -0.481
  713   2HB   MET  96          2HB       MET  96   4.737  -1.911  -1.911
  714   1HG   MET  96          1HG       MET  96   3.000  -3.338  -3.338
  715   2HG   MET  96          2HG       MET  96   1.976  -2.093  -2.093
  716   1HE   MET  96          1HE       MET  96   2.701  -4.300  -4.300
  717   2HE   MET  96          3HE       MET  96   1.028  -4.419  -4.419
  718   3HE   MET  96          2HE       MET  96   1.339  -3.849  -3.849
  719    H    ALA  97           H        ALA  97   4.368  -1.432  -1.432
  720    HA   ALA  97           HA       ALA  97   5.698  -4.016  -4.016
  721   1HB   ALA  97          3HB       ALA  97   5.997  -2.331  -2.331
  722   2HB   ALA  97          2HB       ALA  97   4.277  -2.453  -2.453
  723   3HB   ALA  97          1HB       ALA  97   5.355  -3.847  -3.847
  724    H    PHE  98           H        PHE  98   3.804  -4.637  -4.637
  725    HA   PHE  98           HA       PHE  98   2.108  -6.582  -6.582
  726   1HB   PHE  98          2HB       PHE  98   0.683  -4.639  -4.639
  727   2HB   PHE  98          1HB       PHE  98   0.931  -4.068  -4.068
  728    HD1  PHE  98           HD1      PHE  98  -0.139  -5.186  -5.186
  729    HD2  PHE  98           HD2      PHE  98  -0.924  -6.464  -6.464
  730    HE1  PHE  98           HE1      PHE  98  -1.992  -6.613  -6.613
  731    HE2  PHE  98           HE2      PHE  98  -2.840  -7.814  -7.814
  732    HZ   PHE  98           HZ       PHE  98  -3.371  -7.903  -7.903
  733    H    LYS  99           HN       LYS  99   1.449  -8.163  -8.163
  734    HA   LYS  99           HA       LYS  99   1.595  -7.589  -7.589
  735   1HB   LYS  99          2HB       LYS  99   2.636  -9.893  -9.893
  736   2HB   LYS  99          1HB       LYS  99   3.715  -8.541  -8.541
  737   1HG   LYS  99          2HG       LYS  99   3.965  -9.216  -9.216
  738   2HG   LYS  99          1HG       LYS  99   2.774 -10.521 -10.521
  739   1HD   LYS  99          1HD       LYS  99   5.231 -10.327 -10.327
  740   2HD   LYS  99          2HD       LYS  99   5.345 -11.080 -11.080
  741   1HE   LYS  99          2HE       LYS  99   3.676 -12.760 -12.760
  742   2HE   LYS  99          1HE       LYS  99   3.381 -11.968 -11.968
  743   1HZ   LYS  99          1HZ       LYS  99   5.943 -13.125 -13.125
  744   2HZ   LYS  99          2HZ       LYS  99   4.857 -13.800 -13.800
  745   3HZ   LYS  99          3HZ       LYS  99   5.606 -12.390 -12.390
  746    H    LEU 100           H        LEU 100   0.670  -9.799  -9.799
  747    HA   LEU 100           HA       LEU 100  -1.778 -10.421 -10.421
  748   1HB   LEU 100          1HB       LEU 100  -2.127  -9.348  -9.348
  749   2HB   LEU 100          2HB       LEU 100  -1.105 -10.598 -10.598
  750    HG   LEU 100           HG       LEU 100  -2.708 -12.351 -12.351
  751   1HD1  LEU 100          1HD1      LEU 100  -4.228 -10.047 -10.047
  752   2HD1  LEU 100          2HD1      LEU 100  -4.999 -11.598 -11.598
  753   3HD1  LEU 100          3HD1      LEU 100  -3.731 -11.528 -11.528
  754   1HD2  LEU 100          1HD2      LEU 100  -2.963 -11.089 -11.089
  755   2HD2  LEU 100          3HD2      LEU 100  -4.500 -11.724 -11.724
  756   3HD2  LEU 100          2HD2      LEU 100  -4.103  -9.992  -9.992
  757    H    ALA 101           H        ALA 101  -2.290 -12.717 -12.717
  758    HA   ALA 101           HA       ALA 101   0.109 -14.353 -14.353
  759   1HB   ALA 101          2HB       ALA 101  -1.772 -14.316 -14.316
  760   2HB   ALA 101          1HB       ALA 101  -2.862 -14.822 -14.822
  761   3HB   ALA 101          3HB       ALA 101  -1.565 -15.934 -15.934
  762    H    LYS 102           HN       LYS 102   0.237 -13.442 -13.442
  763    HA   LYS 102           HA       LYS 102   0.929 -14.135 -14.135
  764   1HB   LYS 102          1HB       LYS 102  -0.241 -16.901 -16.901
  765   2HB   LYS 102          2HB       LYS 102   0.994 -16.409 -16.409
  766   1HG   LYS 102          1HG       LYS 102   1.310 -16.559 -16.559
  767   2HG   LYS 102          2HG       LYS 102   2.011 -17.625 -17.625
  768   1HD   LYS 102          1HD       LYS 102   3.291 -15.688 -15.688
  769   2HD   LYS 102          2HD       LYS 102   2.683 -14.659 -14.659
  770   1HE   LYS 102          2HE       LYS 102   4.376 -17.175 -17.175
  771   2HE   LYS 102          1HE       LYS 102   4.950 -15.505 -15.505
  772   1HZ   LYS 102          2HZ       LYS 102   3.425 -15.200 -15.200
  773   2HZ   LYS 102          1HZ       LYS 102   2.960 -16.778 -16.778
  774   3HZ   LYS 102          3HZ       LYS 102   4.512 -16.404 -16.404
  775    H    GLY 103           H        GLY 103  -0.248 -15.483 -15.483
  776   1HA   GLY 103          1HA       GLY 103  -1.976 -15.340 -15.340
  777   2HA   GLY 103          2HA       GLY 103  -3.011 -14.550 -14.550
  778    H    GLY 104           H        GLY 104  -2.270 -12.357 -12.357
  779   1HA   GLY 104          1HA       GLY 104  -1.908 -10.123 -10.123
  780   2HA   GLY 104          2HA       GLY 104  -0.589 -10.662 -10.662
  781    H    GLU 105           HN       GLU 105  -1.736 -11.896 -11.896
  782    HA   GLU 105           HA       GLU 105  -2.454 -10.026 -10.026
  783   1HB   GLU 105          1HB       GLU 105  -3.271 -11.854 -11.854
  784   2HB   GLU 105          2HB       GLU 105  -1.741 -12.239 -12.239
  785   1HG   GLU 105          2HG       GLU 105  -2.948 -13.634 -13.634
  786   2HG   GLU 105          1HG       GLU 105  -4.490 -13.237 -13.237
  787    H    ASP 106           HN       ASP 106  -4.723 -11.607 -11.607
  788    HA   ASP 106           HA       ASP 106  -7.145 -10.898 -10.898
  789   1HB   ASP 106          2HB       ASP 106  -8.194 -11.381 -11.381
  790   2HB   ASP 106          1HB       ASP 106  -7.088 -12.664 -12.664
  791    H    VAL 107           H        VAL 107  -5.164  -9.293  -9.293
  792    HA   VAL 107           HA       VAL 107  -7.043  -7.097  -7.097
  793    HB   VAL 107           HB       VAL 107  -4.169  -7.050  -7.050
  794   1HG1  VAL 107          1HG1      VAL 107  -6.823  -5.818  -5.818
  795   2HG1  VAL 107          3HG1      VAL 107  -5.289  -5.621  -5.621
  796   3HG1  VAL 107          2HG1      VAL 107  -5.490  -4.947  -4.947
  797   1HG2  VAL 107          2HG2      VAL 107  -6.521  -8.393  -8.393
  798   2HG2  VAL 107          3HG2      VAL 107  -4.981  -9.146  -9.146
  799   3HG2  VAL 107          1HG2      VAL 107  -5.003  -7.939  -7.939
  800    H    ALA 108           H        ALA 108  -3.945  -7.762  -7.762
  801    HA   ALA 108           HA       ALA 108  -3.563  -5.156  -5.156
  802   1HB   ALA 108          1HB       ALA 108  -1.862  -6.942  -6.942
  803   2HB   ALA 108          3HB       ALA 108  -2.838  -7.807  -7.807
  804   3HB   ALA 108          2HB       ALA 108  -2.169  -6.209  -6.209
  805    H    ALA 109           H        ALA 109  -5.447  -7.932  -7.932
  806    HA   ALA 109           HA       ALA 109  -6.309  -6.679  -6.679
  807   1HB   ALA 109          1HB       ALA 109  -6.447  -9.089  -9.089
  808   2HB   ALA 109          3HB       ALA 109  -7.661  -8.848  -8.848
  809   3HB   ALA 109          2HB       ALA 109  -8.040  -8.428  -8.428
  810    H    TYR 110           H        TYR 110  -7.783  -6.846  -6.846
  811    HA   TYR 110           HA       TYR 110 -10.104  -5.339  -5.339
  812   1HB   TYR 110          1HB       TYR 110  -9.914  -6.469  -6.469
  813   2HB   TYR 110          2HB       TYR 110  -8.469  -5.574  -5.574
  814    HD1  TYR 110           HD2      TYR 110 -12.007  -4.815  -4.815
  815    HD2  TYR 110           HD1      TYR 110  -8.731  -3.850  -3.850
  816    HE1  TYR 110           HE2      TYR 110 -13.362  -3.015  -3.015
  817    HE2  TYR 110           HE1      TYR 110 -10.105  -2.090  -2.090
  818    HH   TYR 110           HH       TYR 110 -12.147  -1.042  -1.042
  819    H    LEU 111           H        LEU 111  -6.853  -4.132  -4.132
  820    HA   LEU 111           HA       LEU 111  -7.526  -1.424  -1.424
  821   1HB   LEU 111          2HB       LEU 111  -4.956  -3.028  -3.028
  822   2HB   LEU 111          1HB       LEU 111  -4.956  -1.279  -1.279
  823    HG   LEU 111           HG       LEU 111  -6.276  -2.815  -2.815
  824   1HD1  LEU 111          3HD1      LEU 111  -3.443  -1.704  -1.704
  825   2HD1  LEU 111          2HD1      LEU 111  -4.243  -2.340  -2.340
  826   3HD1  LEU 111          1HD1      LEU 111  -3.903  -3.423  -3.423
  827   1HD2  LEU 111          3HD2      LEU 111  -5.296   0.066   0.066
  828   2HD2  LEU 111          2HD2      LEU 111  -6.996  -0.440  -0.440
  829   3HD2  LEU 111          1HD2      LEU 111  -5.955  -0.675  -0.675
  830    H    ALA 112           H        ALA 112  -6.124  -3.536  -3.536
  831    HA   ALA 112           HA       ALA 112  -5.885  -1.562  -1.562
  832   1HB   ALA 112          1HB       ALA 112  -5.005  -3.872  -3.872
  833   2HB   ALA 112          2HB       ALA 112  -6.663  -4.485  -4.485
  834   3HB   ALA 112          3HB       ALA 112  -5.985  -3.400  -3.400
  835    H    SER 113           H        SER 113  -8.729  -3.542  -3.542
  836    HA   SER 113           HA       SER 113 -10.505  -2.496  -2.496
  837   1HB   SER 113          1HB       SER 113 -11.281  -3.475  -3.475
  838   2HB   SER 113          2HB       SER 113 -12.278  -3.415  -3.415
  839    HG   SER 113           HG       SER 113  -9.931  -5.005  -5.005
  840    H    VAL 114           H        VAL 114  -9.653  -1.374  -1.374
  841    HA   VAL 114           HA       VAL 114 -11.578   0.774   0.774
  842    HB   VAL 114           HB       VAL 114  -9.048   0.187   0.187
  843   1HG1  VAL 114          2HG1      VAL 114 -11.144   2.317   2.317
  844   2HG1  VAL 114          1HG1      VAL 114  -9.884   1.826   1.826
  845   3HG1  VAL 114          3HG1      VAL 114  -9.422   2.598   2.598
  846   1HG2  VAL 114          1HG2      VAL 114 -11.031  -1.383  -1.383
  847   2HG2  VAL 114          3HG2      VAL 114 -10.604  -0.481  -0.481
  848   3HG2  VAL 114          2HG2      VAL 114 -11.998   0.015   0.015
  849    H    VAL 115           H        VAL 115  -8.293   0.515   0.515
  850    HA   VAL 115           HA       VAL 115  -7.869   3.349   3.349
  851    HB   VAL 115           HB       VAL 115  -6.607   1.047   1.047
  852   1HG1  VAL 115          2HG1      VAL 115  -5.739   3.953   3.953
  853   2HG1  VAL 115          1HG1      VAL 115  -4.777   2.661   2.661
  854   3HG1  VAL 115          3HG1      VAL 115  -6.282   3.179   3.179
  855   1HG2  VAL 115          3HG2      VAL 115  -6.298   1.913   1.913
  856   2HG2  VAL 115          2HG2      VAL 115  -5.496   0.592   0.592
  857   3HG2  VAL 115          1HG2      VAL 115  -4.806   2.213   2.213
  858    H    LYS 116           HN       LYS 116  -9.780   4.161   4.161
  859    HA   LYS 116           HA       LYS 116 -10.127   4.307   4.307
  860   1HB   LYS 116          1HB       LYS 116 -12.638   3.935   3.935
  861   2HB   LYS 116          2HB       LYS 116 -11.640   2.484   2.484
  862   1HG   LYS 116          2HG       LYS 116 -11.942   2.082   2.082
  863   2HG   LYS 116          1HG       LYS 116 -12.153   3.777   3.777
  864   1HD   LYS 116          1HD       LYS 116 -14.244   2.409   2.409
  865   2HD   LYS 116          2HD       LYS 116 -14.221   2.128   2.128
  866   1HE   LYS 116          1HE       LYS 116 -14.165   4.958   4.958
  867   2HE   LYS 116          2HE       LYS 116 -15.688   4.089   4.089
  868   1HZ   LYS 116          3HZ       LYS 116 -14.993   3.841   3.841
  869   2HZ   LYS 116          2HZ       LYS 116 -13.646   4.752   4.752
  870   3HZ   LYS 116          1HZ       LYS 116 -15.137   5.421   5.421
  871    HHA  HEC 117           HHA      HEM 117   2.721   2.492   2.492
  872    HHB  HEC 117           HHB      HEM 117  -1.201  -1.917  -1.917
  873    HHC  HEC 117           HHC      HEM 117  -2.621  -3.875  -3.875
  874    HHD  HEC 117           HHD      HEM 117   1.127   0.706   0.706
  875   1HMA  HEC 117          1HMA      HEM 117   0.686  -1.511  -1.511
  876   2HMA  HEC 117          2HMA      HEM 117  -0.537  -0.233  -0.233
  877   3HMA  HEC 117          3HMA      HEM 117   1.185   0.091   0.091
  878   1HAA  HEC 117          1HAA      HEM 117   2.689   1.624   1.624
  879   2HAA  HEC 117          2HAA      HEM 117   2.671   2.737   2.737
  880   1HBA  HEC 117          1HBA      HEM 117   0.296   3.367   3.367
  881   2HBA  HEC 117          2HBA      HEM 117   0.528   2.416   2.416
  882   1HMB  HEC 117          1HMB      HEM 117  -2.559  -3.517  -3.517
  883   2HMB  HEC 117          2HMB      HEM 117  -4.117  -3.620  -3.620
  884   3HMB  HEC 117          3HMB      HEM 117  -2.982  -4.994  -4.994
  885    HAB  HEC 117           HAB      HEM 117  -3.869  -4.935  -4.935
  886   1HBB  HEC 117          1HBB      HEM 117  -3.841  -6.339  -6.339
  887   2HBB  HEC 117          2HBB      HEM 117  -4.260  -6.951  -6.951
  888   3HBB  HEC 117          3HBB      HEM 117  -2.570  -6.555  -6.555
  889   1HMC  HEC 117          1HMC      HEM 117  -2.124  -3.389  -3.389
  890   2HMC  HEC 117          2HMC      HEM 117  -2.772  -4.058  -4.058
  891   3HMC  HEC 117          3HMC      HEM 117  -3.493  -2.590  -2.590
  892    HAC  HEC 117           HAC      HEM 117  -1.620  -1.314  -1.314
  893   1HBC  HEC 117          1HBC      HEM 117   0.317  -0.731  -0.731
  894   2HBC  HEC 117          2HBC      HEM 117   0.727  -2.075  -2.075
  895   3HBC  HEC 117          3HBC      HEM 117   1.286  -0.431  -0.431
  896   1HMD  HEC 117          1HMD      HEM 117   2.047   3.312   3.312
  897   2HMD  HEC 117          2HMD      HEM 117   3.078   1.891   1.891
  898   3HMD  HEC 117          3HMD      HEM 117   3.727   3.301   3.301
  899   1HAD  HEC 117          1HAD      HEM 117   3.389   4.105   4.105
  900   2HAD  HEC 117          2HAD      HEM 117   3.679   4.346   4.346
  901   1HBD  HEC 117          1HBD      HEM 117   5.265   2.334   2.334
  902   2HBD  HEC 117          2HBD      HEM 117   5.214   2.531   2.531

  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -7.133 -13.314 -13.314
    2   2H    GLY   1          2H        GLY   1  -5.662 -12.495 -12.495
    3   1HA   GLY   1          1HA       GLY   1  -6.646 -12.008 -12.008
    4   2HA   GLY   1          2HA       GLY   1  -6.572 -10.591 -10.591
    5    H    ASP   2           HN       ASP   2  -8.565 -12.467 -12.467
    6    HA   ASP   2           HA       ASP   2 -11.105 -12.011 -12.011
    7   1HB   ASP   2          1HB       ASP   2 -10.688 -14.111 -14.111
    8   2HB   ASP   2          2HB       ASP   2 -10.540 -13.205 -13.205
    9    H    ALA   3           H        ALA   3 -11.090  -9.746  -9.746
   10    HA   ALA   3           HA       ALA   3 -10.631  -7.856  -7.856
   11   1HB   ALA   3          3HB       ALA   3 -12.949  -7.897  -7.897
   12   2HB   ALA   3          1HB       ALA   3 -12.323  -6.451  -6.451
   13   3HB   ALA   3          2HB       ALA   3 -11.291  -7.339  -7.339
   14    H    ALA   4           H        ALA   4 -13.609  -9.862  -9.862
   15    HA   ALA   4           HA       ALA   4 -15.056  -8.361  -8.361
   16   1HB   ALA   4          1HB       ALA   4 -16.152  -9.961  -9.961
   17   2HB   ALA   4          3HB       ALA   4 -15.333 -11.313 -11.313
   18   3HB   ALA   4          2HB       ALA   4 -16.491 -10.316 -10.316
   19    H    LYS   5           HN       LYS   5 -12.961 -11.298 -11.298
   20    HA   LYS   5           HA       LYS   5 -13.088 -11.422 -11.422
   21   1HB   LYS   5          1HB       LYS   5 -10.985 -12.420 -12.420
   22   2HB   LYS   5          2HB       LYS   5 -10.977 -12.748 -12.748
   23   1HG   LYS   5          1HG       LYS   5 -13.148 -13.870 -13.870
   24   2HG   LYS   5          2HG       LYS   5 -13.266 -13.502 -13.502
   25   1HD   LYS   5          1HD       LYS   5 -11.251 -14.872 -14.872
   26   2HD   LYS   5          2HD       LYS   5 -11.051 -15.177 -15.177
   27   1HE   LYS   5          1HE       LYS   5 -12.084 -17.091 -17.091
   28   2HE   LYS   5          2HE       LYS   5 -13.159 -16.435 -16.435
   29   1HZ   LYS   5          3HZ       LYS   5 -13.338 -15.756 -15.756
   30   2HZ   LYS   5          2HZ       LYS   5 -14.248 -16.918 -16.918
   31   3HZ   LYS   5          1HZ       LYS   5 -14.395 -15.339 -15.339
   32    H    GLY   6           H        GLY   6 -10.979  -9.752  -9.752
   33   1HA   GLY   6          1HA       GLY   6  -9.016  -8.624  -8.624
   34   2HA   GLY   6          2HA       GLY   6  -9.761  -7.835  -7.835
   35    H    GLU   7           HN       GLU   7 -12.309  -7.302  -7.302
   36    HA   GLU   7           HA       GLU   7 -12.156  -5.011  -5.011
   37   1HB   GLU   7          2HB       GLU   7 -14.040  -5.600  -5.600
   38   2HB   GLU   7          1HB       GLU   7 -14.583  -6.820  -6.820
   39   1HG   GLU   7          2HG       GLU   7 -14.923  -5.045  -5.045
   40   2HG   GLU   7          1HG       GLU   7 -14.411  -3.826  -3.826
   41    H    LYS   8           HN       LYS   8 -13.027  -8.367  -8.367
   42    HA   LYS   8           HA       LYS   8 -13.661  -7.675  -7.675
   43   1HB   LYS   8          1HB       LYS   8 -12.875 -10.427 -10.427
   44   2HB   LYS   8          2HB       LYS   8 -13.859  -9.998  -9.998
   45   1HG   LYS   8          1HG       LYS   8 -14.593  -9.807  -9.807
   46   2HG   LYS   8          2HG       LYS   8 -15.315 -10.829 -10.829
   47   1HD   LYS   8          2HD       LYS   8 -16.235  -8.801  -8.801
   48   2HD   LYS   8          1HD       LYS   8 -15.525  -7.779  -7.779
   49   1HE   LYS   8          2HE       LYS   8 -16.832  -9.037  -9.037
   50   2HE   LYS   8          1HE       LYS   8 -17.643  -9.923  -9.923
   51   1HZ   LYS   8          3HZ       LYS   8 -18.405  -7.779  -7.779
   52   2HZ   LYS   8          2HZ       LYS   8 -17.700  -7.019  -7.019
   53   3HZ   LYS   8          1HZ       LYS   8 -18.934  -8.079  -8.079
   54    H    GLU   9           HN       GLU   9 -10.696  -9.049  -9.049
   55    HA   GLU   9           HA       GLU   9  -9.115  -9.323  -9.323
   56   1HB   GLU   9          1HB       GLU   9  -8.646  -8.727  -8.727
   57   2HB   GLU   9          2HB       GLU   9  -7.365  -9.044  -9.044
   58   1HG   GLU   9          2HG       GLU   9  -9.638 -11.011 -11.011
   59   2HG   GLU   9          1HG       GLU   9  -8.094 -11.049 -11.049
   60    H    PHE  10           H        PHE  10  -9.899  -6.480  -6.480
   61    HA   PHE  10           HA       PHE  10  -8.014  -4.729  -4.729
   62   1HB   PHE  10          1HB       PHE  10  -9.827  -4.427  -4.427
   63   2HB   PHE  10          2HB       PHE  10 -10.774  -3.693  -3.693
   64    HD1  PHE  10           HD1      PHE  10  -7.650  -3.527  -3.527
   65    HD2  PHE  10           HD2      PHE  10  -9.987  -1.567  -1.567
   66    HE1  PHE  10           HE1      PHE  10  -6.072  -1.622  -1.622
   67    HE2  PHE  10           HE2      PHE  10  -8.407   0.355   0.355
   68    HZ   PHE  10           HZ       PHE  10  -6.454   0.334   0.334
   69    H    ASN  11           H        ASN  11 -10.788  -6.065  -6.065
   70    HA   ASN  11           HA       ASN  11 -11.205  -4.083  -4.083
   71   1HB   ASN  11          1HB       ASN  11 -12.505  -6.244  -6.244
   72   2HB   ASN  11          2HB       ASN  11 -11.312  -7.058  -7.058
   73   1HD2  ASN  11          1HD2      ASN  11 -12.589  -4.890  -4.890
   74   2HD2  ASN  11          2HD2      ASN  11 -11.016  -5.004  -5.004
   75    H    LYS  12           HN       LYS  12  -8.513  -6.346  -6.346
   76    HA   LYS  12           HA       LYS  12  -7.340  -5.858  -5.858
   77   1HB   LYS  12          1HB       LYS  12  -6.277  -7.252  -7.252
   78   2HB   LYS  12          2HB       LYS  12  -5.486  -7.196  -7.196
   79   1HG   LYS  12          2HG       LYS  12  -7.433  -8.259  -8.259
   80   2HG   LYS  12          1HG       LYS  12  -8.286  -8.356  -8.356
   81   1HD   LYS  12          1HD       LYS  12  -5.583  -9.692  -9.692
   82   2HD   LYS  12          2HD       LYS  12  -7.126 -10.475 -10.475
   83   1HE   LYS  12          1HE       LYS  12  -7.900 -10.144 -10.144
   84   2HE   LYS  12          2HE       LYS  12  -6.331  -9.436  -9.436
   85   1HZ   LYS  12          2HZ       LYS  12  -5.330 -11.524 -11.524
   86   2HZ   LYS  12          1HZ       LYS  12  -6.815 -12.163 -12.163
   87   3HZ   LYS  12          3HZ       LYS  12  -6.433 -11.724 -11.724
   88    H    CYS  13           H        CYS  13  -6.659  -4.962  -4.962
   89    HA   CYS  13           HA       CYS  13  -4.450  -3.319  -3.319
   90   1HB   CYS  13          1HB       CYS  13  -6.612  -2.847  -2.847
   91   2HB   CYS  13          2HB       CYS  13  -4.951  -2.240  -2.240
   92    H    LYS  14           HN       LYS  14  -7.895  -2.360  -2.360
   93    HA   LYS  14           HA       LYS  14  -7.437   0.386   0.386
   94   1HB   LYS  14          2HB       LYS  14  -9.682   0.567   0.567
   95   2HB   LYS  14          1HB       LYS  14  -9.599  -0.632  -0.632
   96   1HG   LYS  14          1HG       LYS  14  -9.726  -2.432  -2.432
   97   2HG   LYS  14          2HG       LYS  14  -9.746  -1.362  -1.362
   98   1HD   LYS  14          1HD       LYS  14 -11.876  -1.512  -1.512
   99   2HD   LYS  14          2HD       LYS  14 -12.000  -2.209  -2.209
  100   1HE   LYS  14          1HE       LYS  14 -11.872   0.770   0.770
  101   2HE   LYS  14          2HE       LYS  14 -13.262  -0.140  -0.140
  102   1HZ   LYS  14          3HZ       LYS  14 -12.060  -0.555  -0.555
  103   2HZ   LYS  14          2HZ       LYS  14 -10.769   0.313   0.313
  104   3HZ   LYS  14          1HZ       LYS  14 -12.210   1.062   1.062
  105    H    THR  15           H        THR  15  -6.561  -2.117  -2.117
  106    HA   THR  15           HA       THR  15  -6.963  -0.767  -0.767
  107    HB   THR  15           HB       THR  15  -4.724  -2.684  -2.684
  108    HG1  THR  15           HG1      THR  15  -6.629  -3.688  -3.688
  109   1HG2  THR  15          2HG2      THR  15  -5.958  -1.980  -1.980
  110   2HG2  THR  15          3HG2      THR  15  -4.812  -3.303  -3.303
  111   3HG2  THR  15          1HG2      THR  15  -4.294  -1.626  -1.626
  112    H    CYS  16           H        CYS  16  -4.817  -0.228  -0.228
  113    HA   CYS  16           HA       CYS  16  -3.631   2.080   2.080
  114   1HB   CYS  16          1HB       CYS  16  -2.236   0.227   0.227
  115   2HB   CYS  16          2HB       CYS  16  -1.538   1.726   1.726
  116    H    HIS  17           HN       HIS  17  -4.503   0.685   0.685
  117    HA   HIS  17           HA       HIS  17  -4.025   3.289   3.289
  118   1HB   HIS  17          2HB       HIS  17  -5.191   0.686   0.686
  119   2HB   HIS  17          1HB       HIS  17  -4.870   2.071   2.071
  120    HD1  HIS  17           HD1      HIS  17  -2.547   3.003   3.003
  121    HD2  HIS  17           HD2      HIS  17  -2.608  -0.650  -0.650
  122    HE1  HIS  17           HE1      HIS  17  -0.212   2.052   2.052
  123    H    SER  18           H        SER  18  -5.842   3.696   3.696
  124    HA   SER  18           HA       SER  18  -8.598   3.570   3.570
  125   1HB   SER  18          1HB       SER  18  -7.010   6.165   6.165
  126   2HB   SER  18          2HB       SER  18  -8.757   6.156   6.156
  127    HG   SER  18           HG       SER  18  -7.594   4.701   4.701
  128    H    ILE  19           H        ILE  19 -10.013   4.775   4.775
  129    HA   ILE  19           HA       ILE  19  -8.866   5.002   5.002
  130    HB   ILE  19           HB       ILE  19 -11.277   3.313   3.313
  131   1HG1  ILE  19          1HG1      ILE  19  -9.130   2.121   2.121
  132   2HG1  ILE  19          2HG1      ILE  19 -10.108   1.352   1.352
  133   1HG2  ILE  19          2HG2      ILE  19 -11.491   4.427   4.427
  134   2HG2  ILE  19          3HG2      ILE  19  -9.959   3.656   3.656
  135   3HG2  ILE  19          1HG2      ILE  19 -11.387   2.662   2.662
  136   1HD1  ILE  19          1HD1      ILE  19  -7.697   3.086   3.086
  137   2HD1  ILE  19          3HD1      ILE  19  -7.647   1.333   1.333
  138   3HD1  ILE  19          2HD1      ILE  19  -8.577   1.992   1.992
  139    H    ILE  20           H        ILE  20  -9.691   6.801   6.801
  140    HA   ILE  20           HA       ILE  20 -12.185   8.046   8.046
  141    HB   ILE  20           HB       ILE  20  -9.986   9.224   9.224
  142   1HG1  ILE  20          2HG1      ILE  20 -10.958  11.517  11.517
  143   2HG1  ILE  20          1HG1      ILE  20 -12.357  10.498  10.498
  144   1HG2  ILE  20          1HG2      ILE  20  -8.880   8.935   8.935
  145   2HG2  ILE  20          3HG2      ILE  20 -10.002  10.173  10.173
  146   3HG2  ILE  20          2HG2      ILE  20  -8.852  10.574  10.574
  147   1HD1  ILE  20          2HD1      ILE  20 -12.150   9.661   9.661
  148   2HD1  ILE  20          3HD1      ILE  20 -10.997  10.969  10.969
  149   3HD1  ILE  20          1HD1      ILE  20 -12.676  11.346  11.346
  150    H    ALA  21           H        ALA  21 -13.650   8.649   8.649
  151    HA   ALA  21           HA       ALA  21 -13.209   7.715   7.715
  152   1HB   ALA  21          3HB       ALA  21 -15.420   7.667   7.667
  153   2HB   ALA  21          1HB       ALA  21 -15.436   9.441   9.441
  154   3HB   ALA  21          2HB       ALA  21 -15.511   8.555   8.555
  155    HA   PRO  22           HA       PRO  22 -11.731  11.495  11.495
  156   1HB   PRO  22          1HB       PRO  22 -14.191  11.505  11.505
  157   2HB   PRO  22          2HB       PRO  22 -12.480  11.707  11.707
  158   1HG   PRO  22          2HG       PRO  22 -13.688   9.319   9.319
  159   2HG   PRO  22          1HG       PRO  22 -12.061   9.351   9.351
  160   1HD   PRO  22          1HD       PRO  22 -14.737   9.170   9.170
  161   2HD   PRO  22          2HD       PRO  22 -13.306   8.133   8.133
  162    H    ASP  23           HN       ASP  23 -15.212  11.374  11.374
  163    HA   ASP  23           HA       ASP  23 -15.696  14.124  14.124
  164   1HB   ASP  23          1HB       ASP  23 -17.227  11.783  11.783
  165   2HB   ASP  23          2HB       ASP  23 -17.854  13.383  13.383
  166    H    GLY  24           H        GLY  24 -13.470  12.674  12.674
  167   1HA   GLY  24          1HA       GLY  24 -12.617  12.969  12.969
  168   2HA   GLY  24          2HA       GLY  24 -13.587  14.446  14.446
  169    H    THR  25           H        THR  25 -14.917  11.220  11.220
  170    HA   THR  25           HA       THR  25 -16.361  11.437  11.437
  171    HB   THR  25           HB       THR  25 -17.085   9.981   9.981
  172    HG1  THR  25           HG1      THR  25 -17.173  12.411  12.411
  173   1HG2  THR  25          3HG2      THR  25 -18.671  10.456  10.456
  174   2HG2  THR  25          1HG2      THR  25 -19.297   9.735   9.735
  175   3HG2  THR  25          2HG2      THR  25 -18.052   8.883   8.883
  176    H    GLU  26           HN       GLU  26 -15.778   9.960   9.960
  177    HA   GLU  26           HA       GLU  26 -13.595   8.160   8.160
  178   1HB   GLU  26          2HB       GLU  26 -15.505   8.314   8.314
  179   2HB   GLU  26          1HB       GLU  26 -13.947   7.474   7.474
  180   1HG   GLU  26          2HG       GLU  26 -12.772   9.625   9.625
  181   2HG   GLU  26          1HG       GLU  26 -14.312  10.499  10.499
  182    H    ILE  27           H        ILE  27 -13.652   6.292   6.292
  183    HA   ILE  27           HA       ILE  27 -16.172   4.692   4.692
  184    HB   ILE  27           HB       ILE  27 -13.490   4.314   4.314
  185   1HG1  ILE  27          2HG1      ILE  27 -14.516   6.247   6.247
  186   2HG1  ILE  27          1HG1      ILE  27 -14.756   4.911   4.911
  187   1HG2  ILE  27          3HG2      ILE  27 -16.106   2.785   2.785
  188   2HG2  ILE  27          1HG2      ILE  27 -14.707   2.643   2.643
  189   3HG2  ILE  27          2HG2      ILE  27 -14.568   2.161   2.161
  190   1HD1  ILE  27          2HD1      ILE  27 -17.114   4.647   4.647
  191   2HD1  ILE  27          3HD1      ILE  27 -16.816   6.186   6.186
  192   3HD1  ILE  27          1HD1      ILE  27 -16.831   6.121   6.121
  193    H    VAL  28           H        VAL  28 -12.778   4.677   4.677
  194    HA   VAL  28           HA       VAL  28 -13.583   2.715   2.715
  195    HB   VAL  28           HB       VAL  28 -10.933   2.547   2.547
  196   1HG1  VAL  28          1HG1      VAL  28 -12.175   0.885   0.885
  197   2HG1  VAL  28          2HG1      VAL  28 -10.669   0.531   0.531
  198   3HG1  VAL  28          3HG1      VAL  28 -10.769   1.967   1.967
  199   1HG2  VAL  28          2HG2      VAL  28 -13.366   0.703   0.703
  200   2HG2  VAL  28          3HG2      VAL  28 -12.766   1.628   1.628
  201   3HG2  VAL  28          1HG2      VAL  28 -11.782   0.322   0.322
  202    H    LYS  29           HN       LYS  29 -13.751   4.147   4.147
  203    HA   LYS  29           HA       LYS  29 -11.706   6.230   6.230
  204   1HB   LYS  29          2HB       LYS  29 -13.203   6.693   6.693
  205   2HB   LYS  29          1HB       LYS  29 -13.857   7.035   7.035
  206   1HG   LYS  29          2HG       LYS  29 -15.271   5.094   5.094
  207   2HG   LYS  29          1HG       LYS  29 -14.565   4.522   4.522
  208   1HD   LYS  29          1HD       LYS  29 -15.376   6.552   6.552
  209   2HD   LYS  29          2HD       LYS  29 -16.042   7.175   7.175
  210   1HE   LYS  29          2HE       LYS  29 -16.917   4.587   4.587
  211   2HE   LYS  29          1HE       LYS  29 -17.764   6.139   6.139
  212   1HZ   LYS  29          1HZ       LYS  29 -18.064   6.058   6.058
  213   2HZ   LYS  29          2HZ       LYS  29 -17.326   4.587   4.587
  214   3HZ   LYS  29          3HZ       LYS  29 -18.745   4.752   4.752
  215    H    GLY  30           H        GLY  30 -10.060   4.473   4.473
  216   1HA   GLY  30          1HA       GLY  30 -10.223   2.523   2.523
  217   2HA   GLY  30          2HA       GLY  30  -8.935   2.707   2.707
  218    H    ALA  31           H        ALA  31  -7.987   2.405   2.405
  219    HA   ALA  31           HA       ALA  31  -7.821   4.958   4.958
  220   1HB   ALA  31          1HB       ALA  31  -6.627   2.215   2.215
  221   2HB   ALA  31          2HB       ALA  31  -6.428   3.627   3.627
  222   3HB   ALA  31          3HB       ALA  31  -8.040   2.931   2.931
  223    H    LYS  32           HN       LYS  32  -7.020   5.837   5.837
  224    HA   LYS  32           HA       LYS  32  -4.893   5.629   5.629
  225   1HB   LYS  32          2HB       LYS  32  -6.610   7.361   7.361
  226   2HB   LYS  32          1HB       LYS  32  -5.737   8.314   8.314
  227   1HG   LYS  32          1HG       LYS  32  -3.790   8.474   8.474
  228   2HG   LYS  32          2HG       LYS  32  -4.501   7.312   7.312
  229   1HD   LYS  32          2HD       LYS  32  -6.217   8.883   8.883
  230   2HD   LYS  32          1HD       LYS  32  -5.814   9.974   9.974
  231   1HE   LYS  32          2HE       LYS  32  -4.907  10.807  10.807
  232   2HE   LYS  32          1HE       LYS  32  -3.641  10.497  10.497
  233   1HZ   LYS  32          1HZ       LYS  32  -3.232   8.393   8.393
  234   2HZ   LYS  32          2HZ       LYS  32  -4.350   8.751   8.751
  235   3HZ   LYS  32          3HZ       LYS  32  -2.994   9.685   9.685
  236    H    THR  33           H        THR  33  -3.589   4.510   4.510
  237    HA   THR  33           HA       THR  33  -1.371   6.083   6.083
  238    HB   THR  33           HB       THR  33  -1.739   3.073   3.073
  239    HG1  THR  33           HG1      THR  33  -3.446   4.046   4.046
  240   1HG2  THR  33          2HG2      THR  33  -0.031   4.830   4.830
  241   2HG2  THR  33          3HG2      THR  33  -0.252   3.077   3.077
  242   3HG2  THR  33          1HG2      THR  33   0.572   3.721   3.721
  243    H    GLY  34           H        GLY  34  -2.248   4.275   4.275
  244   1HA   GLY  34          1HA       GLY  34   0.469   4.556   4.556
  245   2HA   GLY  34          2HA       GLY  34  -0.647   3.234   3.234
  246    HA   PRO  35           HA       PRO  35  -1.192   7.041   7.041
  247   1HB   PRO  35          2HB       PRO  35  -0.742   4.721   4.721
  248   2HB   PRO  35          1HB       PRO  35  -0.310   6.437   6.437
  249   1HG   PRO  35          1HG       PRO  35   1.563   4.614   4.614
  250   2HG   PRO  35          2HG       PRO  35   1.517   6.250   6.250
  251   1HD   PRO  35          2HD       PRO  35   0.623   3.662   3.662
  252   2HD   PRO  35          1HD       PRO  35   1.346   5.098   5.098
  253    H    ASN  36           H        ASN  36  -2.749   7.134   7.134
  254    HA   ASN  36           HA       ASN  36  -5.198   5.550   5.550
  255   1HB   ASN  36          2HB       ASN  36  -5.461   7.986   7.986
  256   2HB   ASN  36          1HB       ASN  36  -4.734   8.117   8.117
  257   1HD2  ASN  36          2HD2      ASN  36  -8.628   7.822   7.822
  258   2HD2  ASN  36          1HD2      ASN  36  -7.580   8.568   8.568
  259    H    LEU  37           H        LEU  37  -5.584   3.938   3.938
  260    HA   LEU  37           HA       LEU  37  -3.574   3.717   3.717
  261   1HB   LEU  37          2HB       LEU  37  -5.381   1.600   1.600
  262   2HB   LEU  37          1HB       LEU  37  -4.129   1.354   1.354
  263    HG   LEU  37           HG       LEU  37  -3.707   2.225   2.225
  264   1HD1  LEU  37          1HD1      LEU  37  -4.217  -0.167  -0.167
  265   2HD1  LEU  37          2HD1      LEU  37  -2.926  -0.304  -0.304
  266   3HD1  LEU  37          3HD1      LEU  37  -2.529   0.050   0.050
  267   1HD2  LEU  37          1HD2      LEU  37  -1.703   1.907   1.907
  268   2HD2  LEU  37          3HD2      LEU  37  -1.998   3.362   3.362
  269   3HD2  LEU  37          2HD2      LEU  37  -1.244   1.943   1.943
  270    H    TYR  38           H        TYR  38  -6.548   5.110   5.110
  271    HA   TYR  38           HA       TYR  38  -7.854   3.794   3.794
  272   1HB   TYR  38          2HB       TYR  38  -8.896   5.478   5.478
  273   2HB   TYR  38          1HB       TYR  38  -7.985   6.741   6.741
  274    HD1  TYR  38           HD1      TYR  38 -10.740   4.242   4.242
  275    HD2  TYR  38           HD2      TYR  38  -8.681   7.604   7.604
  276    HE1  TYR  38           HE1      TYR  38 -12.527   4.485   4.485
  277    HE2  TYR  38           HE2      TYR  38 -10.338   7.639   7.639
  278    HH   TYR  38           HH       TYR  38 -12.244   6.621   6.621
  279    H    GLY  39           H        GLY  39  -6.029   3.277   3.277
  280   1HA   GLY  39          1HA       GLY  39  -5.560   3.668   3.668
  281   2HA   GLY  39          2HA       GLY  39  -5.481   5.410   5.410
  282    H    VAL  40           H        VAL  40  -3.969   3.034   3.034
  283    HA   VAL  40           HA       VAL  40  -1.347   4.089   4.089
  284    HB   VAL  40           HB       VAL  40  -1.716   3.001   3.001
  285   1HG1  VAL  40          1HG1      VAL  40  -3.356   1.244   1.244
  286   2HG1  VAL  40          2HG1      VAL  40  -2.073   0.375   0.375
  287   3HG1  VAL  40          3HG1      VAL  40  -1.974   0.577   0.577
  288   1HG2  VAL  40          2HG2      VAL  40   0.562   2.920   2.920
  289   2HG2  VAL  40          1HG2      VAL  40   0.286   1.601   1.601
  290   3HG2  VAL  40          3HG2      VAL  40   0.195   1.282   1.282
  291    H    VAL  41           H        VAL  41  -3.268   1.468   1.468
  292    HA   VAL  41           HA       VAL  41  -1.302   0.101   0.101
  293    HB   VAL  41           HB       VAL  41  -4.222   0.619   0.619
  294   1HG1  VAL  41          2HG1      VAL  41  -2.262  -1.497  -1.497
  295   2HG1  VAL  41          3HG1      VAL  41  -4.012  -1.510  -1.510
  296   3HG1  VAL  41          1HG1      VAL  41  -3.016  -0.215  -0.215
  297   1HG2  VAL  41          2HG2      VAL  41  -3.964  -0.481  -0.481
  298   2HG2  VAL  41          1HG2      VAL  41  -4.633  -1.590  -1.590
  299   3HG2  VAL  41          3HG2      VAL  41  -2.928  -1.715  -1.715
  300    H    GLY  42           H        GLY  42   0.121   0.886   0.886
  301   1HA   GLY  42          1HA       GLY  42   0.798   1.681   1.681
  302   2HA   GLY  42          2HA       GLY  42  -0.690   2.619   2.619
  303    H    ARG  43           HN       ARG  43   0.070   3.405   3.405
  304    HA   ARG  43           HA       ARG  43   1.288   5.926   5.926
  305   1HB   ARG  43          2HB       ARG  43  -0.703   5.708   5.708
  306   2HB   ARG  43          1HB       ARG  43   0.445   5.147   5.147
  307   1HG   ARG  43          1HG       ARG  43   1.760   7.328   7.328
  308   2HG   ARG  43          2HG       ARG  43   0.376   7.836   7.836
  309   1HD   ARG  43          1HD       ARG  43  -1.075   7.538   7.538
  310   2HD   ARG  43          2HD       ARG  43   0.368   7.057   7.057
  311    HE   ARG  43           HE       ARG  43   1.281   9.193   9.193
  312   1HH1  ARG  43          2HH1      ARG  43  -1.655   9.130   9.130
  313   2HH1  ARG  43          1HH1      ARG  43  -1.909  10.853  10.853
  314   1HH2  ARG  43          1HH2      ARG  43   0.849  11.402  11.402
  315   2HH2  ARG  43          2HH2      ARG  43  -0.382  12.192  12.192
  316    H    THR  44           H        THR  44   3.292   6.722   6.722
  317    HA   THR  44           HA       THR  44   5.409   5.006   5.006
  318    HB   THR  44           HB       THR  44   5.162   7.959   7.959
  319    HG1  THR  44           HG1      THR  44   5.828   8.235   8.235
  320   1HG2  THR  44          3HG2      THR  44   7.513   6.215   6.215
  321   2HG2  THR  44          1HG2      THR  44   7.586   7.967   7.967
  322   3HG2  THR  44          2HG2      THR  44   7.257   6.868   6.868
  323    H    ALA  45           H        ALA  45   6.108   4.120   4.120
  324    HA   ALA  45           HA       ALA  45   4.535   4.275   4.275
  325   1HB   ALA  45          3HB       ALA  45   6.204   2.489   2.489
  326   2HB   ALA  45          1HB       ALA  45   7.509   3.656   3.656
  327   3HB   ALA  45          2HB       ALA  45   6.426   3.140   3.140
  328    H    GLY  46           H        GLY  46   4.844   5.295   5.295
  329   1HA   GLY  46          1HA       GLY  46   5.408   6.985   6.985
  330   2HA   GLY  46          2HA       GLY  46   6.920   7.146   7.146
  331    H    THR  47           H        THR  47   3.809   7.679   7.679
  332    HA   THR  47           HA       THR  47   4.250  10.644  10.644
  333    HB   THR  47           HB       THR  47   3.743  10.925  10.925
  334    HG1  THR  47           HG1      THR  47   3.627   8.097   8.097
  335   1HG2  THR  47          3HG2      THR  47   6.123  10.471  10.471
  336   2HG2  THR  47          2HG2      THR  47   5.878   8.767   8.767
  337   3HG2  THR  47          1HG2      THR  47   5.710  10.026  10.026
  338    H    TYR  48           H        TYR  48   1.928   8.243   8.243
  339    HA   TYR  48           HA       TYR  48  -0.344   9.614   9.614
  340   1HB   TYR  48          2HB       TYR  48  -0.166   7.165   7.165
  341   2HB   TYR  48          1HB       TYR  48  -0.533   7.839   7.839
  342    HD1  TYR  48           HD2      TYR  48  -2.677   9.162   9.162
  343    HD2  TYR  48           HD1      TYR  48  -1.888   6.833   6.833
  344    HE1  TYR  48           HE2      TYR  48  -5.013   9.499   9.499
  345    HE2  TYR  48           HE1      TYR  48  -4.191   7.197   7.197
  346    HH   TYR  48           HH       TYR  48  -6.310   7.956   7.956
  347    HA   PRO  49           HA       PRO  49   0.004  13.064  13.064
  348   1HB   PRO  49          1HB       PRO  49  -2.559  14.135  14.135
  349   2HB   PRO  49          2HB       PRO  49  -1.366  14.280  14.280
  350   1HG   PRO  49          1HG       PRO  49  -3.557  12.201  12.201
  351   2HG   PRO  49          2HG       PRO  49  -3.214  13.245  13.245
  352   1HD   PRO  49          1HD       PRO  49  -2.263  10.751  10.751
  353   2HD   PRO  49          2HD       PRO  49  -1.170  12.067  12.067
  354    H    GLU  50           HN       GLU  50  -0.878  14.030  14.030
  355    HA   GLU  50           HA       GLU  50  -1.322  13.912  13.912
  356   1HB   GLU  50          1HB       GLU  50  -3.533  11.974  11.974
  357   2HB   GLU  50          2HB       GLU  50  -3.419  12.883  12.883
  358   1HG   GLU  50          1HG       GLU  50  -3.584  15.019  15.019
  359   2HG   GLU  50          2HG       GLU  50  -3.741  14.110  14.110
  360    H    PHE  51           H        PHE  51   0.893  12.475  12.475
  361    HA   PHE  51           HA       PHE  51   0.838  10.800  10.800
  362   1HB   PHE  51          1HB       PHE  51  -0.042   9.248   9.248
  363   2HB   PHE  51          2HB       PHE  51   1.612   9.273   9.273
  364    HD1  PHE  51           HD2      PHE  51  -0.553   8.580   8.580
  365    HD2  PHE  51           HD1      PHE  51   3.404   8.149   8.149
  366    HE1  PHE  51           HE2      PHE  51   0.141   7.301   7.301
  367    HE2  PHE  51           HE1      PHE  51   4.065   6.769   6.769
  368    HZ   PHE  51           HZ       PHE  51   2.396   6.271   6.271
  369    H    LYS  52           HN       LYS  52   2.646  11.191  11.191
  370    HA   LYS  52           HA       LYS  52   4.999  12.246  12.246
  371   1HB   LYS  52          2HB       LYS  52   3.961  12.994  12.994
  372   2HB   LYS  52          1HB       LYS  52   4.868  11.663  11.663
  373   1HG   LYS  52          2HG       LYS  52   5.937  14.003  14.003
  374   2HG   LYS  52          1HG       LYS  52   6.025  13.875  13.875
  375   1HD   LYS  52          2HD       LYS  52   7.462  12.056  12.056
  376   2HD   LYS  52          1HD       LYS  52   8.184  13.386  13.386
  377   1HE   LYS  52          2HE       LYS  52   7.037  10.859  10.859
  378   2HE   LYS  52          1HE       LYS  52   8.741  11.221  11.221
  379   1HZ   LYS  52          2HZ       LYS  52   8.489  13.125  13.125
  380   2HZ   LYS  52          3HZ       LYS  52   6.907  12.747  12.747
  381   3HZ   LYS  52          1HZ       LYS  52   8.095  11.726  11.726
  382    H    TYR  53           H        TYR  53   5.594  10.431  10.431
  383    HA   TYR  53           HA       TYR  53   6.047   7.810   7.810
  384   1HB   TYR  53          2HB       TYR  53   7.283   8.977   8.977
  385   2HB   TYR  53          1HB       TYR  53   7.100   7.283   7.283
  386    HD1  TYR  53           HD2      TYR  53   5.308  10.243  10.243
  387    HD2  TYR  53           HD1      TYR  53   5.075   6.043   6.043
  388    HE1  TYR  53           HE2      TYR  53   3.163  10.081  10.081
  389    HE2  TYR  53           HE1      TYR  53   3.016   5.857   5.857
  390    HH   TYR  53           HH       TYR  53   1.336   8.747   8.747
  391    H    LYS  54           HN       LYS  54   8.388   6.923   6.923
  392    HA   LYS  54           HA       LYS  54  10.440   8.381   8.381
  393   1HB   LYS  54          1HB       LYS  54  10.330   5.415   5.415
  394   2HB   LYS  54          2HB       LYS  54  11.271   6.242   6.242
  395   1HG   LYS  54          1HG       LYS  54   8.230   5.940   5.940
  396   2HG   LYS  54          2HG       LYS  54   9.318   5.014   5.014
  397   1HD   LYS  54          2HD       LYS  54   9.948   6.983   6.983
  398   2HD   LYS  54          1HD       LYS  54   9.036   8.059   8.059
  399   1HE   LYS  54          1HE       LYS  54   7.788   5.847   5.847
  400   2HE   LYS  54          2HE       LYS  54   7.828   7.567   7.567
  401   1HZ   LYS  54          2HZ       LYS  54   6.554   8.041   8.041
  402   2HZ   LYS  54          1HZ       LYS  54   6.507   6.441   6.441
  403   3HZ   LYS  54          3HZ       LYS  54   5.768   6.976   6.976
  404    H    ASP  55           HN       ASP  55  12.608   8.172   8.172
  405    HA   ASP  55           HA       ASP  55  13.172   8.932   8.932
  406   1HB   ASP  55          2HB       ASP  55  14.686   9.235   9.235
  407   2HB   ASP  55          1HB       ASP  55  14.957   7.482   7.482
  408    H    SER  56           H        SER  56  12.813   5.549   5.549
  409    HA   SER  56           HA       SER  56  14.500   4.324   4.324
  410   1HB   SER  56          1HB       SER  56  13.112   2.329   2.329
  411   2HB   SER  56          2HB       SER  56  14.118   3.224   3.224
  412    HG   SER  56           HG       SER  56  11.813   2.832   2.832
  413    H    ILE  57           H        ILE  57  11.053   4.134   4.134
  414    HA   ILE  57           HA       ILE  57  10.311   3.210   3.210
  415    HB   ILE  57           HB       ILE  57   9.110   3.230   3.230
  416   1HG1  ILE  57          2HG1      ILE  57   7.474   3.723   3.723
  417   2HG1  ILE  57          1HG1      ILE  57   8.288   2.202   2.202
  418   1HG2  ILE  57          1HG2      ILE  57   8.938   5.646   5.646
  419   2HG2  ILE  57          3HG2      ILE  57   7.838   5.770   5.770
  420   3HG2  ILE  57          2HG2      ILE  57   7.365   4.870   4.870
  421   1HD1  ILE  57          3HD1      ILE  57   6.905   2.047   2.047
  422   2HD1  ILE  57          2HD1      ILE  57   5.957   3.439   3.439
  423   3HD1  ILE  57          1HD1      ILE  57   5.998   1.938   1.938
  424    H    VAL  58           H        VAL  58  10.622   6.591   6.591
  425    HA   VAL  58           HA       VAL  58   9.578   7.810   7.810
  426    HB   VAL  58           HB       VAL  58  11.601   8.717   8.717
  427   1HG1  VAL  58          2HG2      VAL  58  10.408  10.327  10.327
  428   2HG1  VAL  58          3HG2      VAL  58  11.238  11.025  11.025
  429   3HG1  VAL  58          1HG2      VAL  58  12.133   9.997   9.997
  430   1HG2  VAL  58          2HG1      VAL  58   9.153   8.393   8.393
  431   2HG2  VAL  58          3HG1      VAL  58   9.729  10.059  10.059
  432   3HG2  VAL  58          1HG1      VAL  58   8.730   9.604   9.604
  433    H    ALA  59           H        ALA  59  13.005   6.889   6.889
  434    HA   ALA  59           HA       ALA  59  14.101   7.739   7.739
  435   1HB   ALA  59          3HB       ALA  59  15.469   7.221   7.221
  436   2HB   ALA  59          1HB       ALA  59  15.019   5.506   5.506
  437   3HB   ALA  59          2HB       ALA  59  15.987   6.253   6.253
  438    H    LEU  60           H        LEU  60  12.782   4.572   4.572
  439    HA   LEU  60           HA       LEU  60  13.311   3.158   3.158
  440   1HB   LEU  60          1HB       LEU  60  12.456   2.306   2.306
  441   2HB   LEU  60          2HB       LEU  60  10.855   2.858   2.858
  442    HG   LEU  60           HG       LEU  60  10.991   1.326   1.326
  443   1HD1  LEU  60          3HD2      LEU  60  13.489   0.286   0.286
  444   2HD1  LEU  60          2HD2      LEU  60  12.627  -0.541  -0.541
  445   3HD1  LEU  60          1HD2      LEU  60  13.419   1.003   1.003
  446   1HD2  LEU  60          1HD1      LEU  60   9.841   0.722   0.722
  447   2HD2  LEU  60          2HD1      LEU  60  10.501  -0.691  -0.691
  448   3HD2  LEU  60          3HD1      LEU  60  11.355  -0.013  -0.013
  449    H    GLY  61           H        GLY  61  10.464   5.099   5.099
  450   1HA   GLY  61          1HA       GLY  61   8.875   4.964   4.964
  451   2HA   GLY  61          2HA       GLY  61   9.009   6.342   6.342
  452    H    ALA  62           H        ALA  62  11.327   7.431   7.431
  453    HA   ALA  62           HA       ALA  62  11.304   8.916   8.916
  454   1HB   ALA  62          3HB       ALA  62  12.392   9.620   9.620
  455   2HB   ALA  62          1HB       ALA  62  13.669   8.410   8.410
  456   3HB   ALA  62          2HB       ALA  62  13.484   9.758   9.758
  457    H    SER  63           H        SER  63  12.994   5.864   5.864
  458    HA   SER  63           HA       SER  63  14.562   5.867   5.867
  459   1HB   SER  63          1HB       SER  63  13.701   3.470   3.470
  460   2HB   SER  63          2HB       SER  63  15.073   3.588   3.588
  461    HG   SER  63           HG       SER  63  14.727   5.127   5.127
  462    H    GLY  64           H        GLY  64  11.260   5.893   5.893
  463   1HA   GLY  64          1HA       GLY  64   9.873   5.709   5.709
  464   2HA   GLY  64          2HA       GLY  64  11.039   4.678   4.678
  465    H    PHE  65           H        PHE  65  10.032   4.118   4.118
  466    HA   PHE  65           HA       PHE  65   9.159   1.445   1.445
  467   1HB   PHE  65          1HB       PHE  65  10.492   1.701   1.701
  468   2HB   PHE  65          2HB       PHE  65   9.283   2.788   2.788
  469    HD1  PHE  65           HD2      PHE  65   8.768  -0.535  -0.535
  470    HD2  PHE  65           HD1      PHE  65   8.591   1.664   1.664
  471    HE1  PHE  65           HE2      PHE  65   7.374  -2.285  -2.285
  472    HE2  PHE  65           HE1      PHE  65   7.235  -0.142  -0.142
  473    HZ   PHE  65           HZ       PHE  65   6.568  -2.097  -2.097
  474    H    ALA  66           H        ALA  66   7.410   2.015   2.015
  475    HA   ALA  66           HA       ALA  66   4.949   3.176   3.176
  476   1HB   ALA  66          1HB       ALA  66   5.484   1.550   1.550
  477   2HB   ALA  66          3HB       ALA  66   3.992   2.438   2.438
  478   3HB   ALA  66          2HB       ALA  66   5.511   3.324   3.324
  479    H    TRP  67           H        TRP  67   3.595   2.102   2.102
  480    HA   TRP  67           HA       TRP  67   4.013  -0.626  -0.626
  481   1HB   TRP  67          2HB       TRP  67   1.825   1.401   1.401
  482   2HB   TRP  67          1HB       TRP  67   1.624  -0.269  -0.269
  483    HD1  TRP  67           HD1      TRP  67   2.832   2.869   2.869
  484    HE1  TRP  67           HE1      TRP  67   3.994   2.479   2.479
  485    HE3  TRP  67           HE3      TRP  67   3.524  -2.195  -2.195
  486    HZ2  TRP  67           HZ2      TRP  67   5.269   0.339   0.339
  487    HZ3  TRP  67           HZ3      TRP  67   4.707  -3.377  -3.377
  488    HH2  TRP  67           HH2      TRP  67   5.705  -2.093  -2.093
  489    H    THR  68           H        THR  68   3.708  -2.275  -2.275
  490    HA   THR  68           HA       THR  68   1.328  -2.309  -2.309
  491    HB   THR  68           HB       THR  68   2.182  -4.398  -4.398
  492    HG1  THR  68           HG1      THR  68   4.477  -4.275  -4.275
  493   1HG2  THR  68          3HG2      THR  68   3.180  -2.340  -2.340
  494   2HG2  THR  68          2HG2      THR  68   4.493  -2.424  -2.424
  495   3HG2  THR  68          1HG2      THR  68   4.314  -3.707  -3.707
  496    H    GLU  69           HN       GLU  69  -0.117  -4.249  -4.249
  497    HA   GLU  69           HA       GLU  69  -1.139  -4.742  -4.742
  498   1HB   GLU  69          1HB       GLU  69  -1.309  -6.588  -6.588
  499   2HB   GLU  69          2HB       GLU  69  -2.391  -6.543  -6.543
  500   1HG   GLU  69          2HG       GLU  69  -2.533  -3.960  -3.960
  501   2HG   GLU  69          1HG       GLU  69  -2.100  -4.575  -4.575
  502    H    GLU  70           HN       GLU  70   1.186  -6.408  -6.408
  503    HA   GLU  70           HA       GLU  70   1.585  -8.776  -8.776
  504   1HB   GLU  70          2HB       GLU  70   3.553  -7.363  -7.363
  505   2HB   GLU  70          1HB       GLU  70   3.659  -9.028  -9.028
  506   1HG   GLU  70          1HG       GLU  70   1.472  -9.530  -9.530
  507   2HG   GLU  70          2HG       GLU  70   1.458  -7.896  -7.896
  508    H    ASP  71           HN       ASP  71   3.404  -5.651  -5.651
  509    HA   ASP  71           HA       ASP  71   5.248  -6.290  -6.290
  510   1HB   ASP  71          1HB       ASP  71   4.147  -3.642  -3.642
  511   2HB   ASP  71          2HB       ASP  71   5.411  -3.782  -3.782
  512    H    ILE  72           H        ILE  72   2.086  -4.556  -4.556
  513    HA   ILE  72           HA       ILE  72   2.100  -4.047  -4.047
  514    HB   ILE  72           HB       ILE  72  -0.206  -4.611  -4.611
  515   1HG1  ILE  72          2HG1      ILE  72   0.648  -1.945  -1.945
  516   2HG1  ILE  72          1HG1      ILE  72   1.299  -2.540  -2.540
  517   1HG2  ILE  72          2HG2      ILE  72  -0.283  -3.566  -3.566
  518   2HG2  ILE  72          1HG2      ILE  72  -1.664  -3.554  -3.554
  519   3HG2  ILE  72          3HG2      ILE  72  -0.992  -5.085  -5.085
  520   1HD1  ILE  72          3HD1      ILE  72  -0.944  -2.700  -2.700
  521   2HD1  ILE  72          1HD1      ILE  72  -1.648  -2.017  -2.017
  522   3HD1  ILE  72          2HD1      ILE  72  -0.540  -1.052  -1.052
  523    H    ALA  73           H        ALA  73   0.722  -6.810  -6.810
  524    HA   ALA  73           HA       ALA  73  -0.190  -8.280  -8.280
  525   1HB   ALA  73          1HB       ALA  73  -0.724  -8.765  -8.765
  526   2HB   ALA  73          3HB       ALA  73   0.933  -9.338  -9.338
  527   3HB   ALA  73          2HB       ALA  73  -0.136 -10.222 -10.222
  528    H    THR  74           H        THR  74   3.080  -8.279  -8.279
  529    HA   THR  74           HA       THR  74   4.076 -10.421 -10.421
  530    HB   THR  74           HB       THR  74   5.618  -8.245  -8.245
  531    HG1  THR  74           HG1      THR  74   4.251  -9.350  -9.350
  532   1HG2  THR  74          2HG2      THR  74   6.400 -11.069 -11.069
  533   2HG2  THR  74          1HG2      THR  74   7.398  -9.961  -9.961
  534   3HG2  THR  74          3HG2      THR  74   7.016  -9.570  -9.570
  535    H    TYR  75           H        TYR  75   4.472  -6.849  -6.849
  536    HA   TYR  75           HA       TYR  75   6.181  -6.597  -6.597
  537   1HB   TYR  75          2HB       TYR  75   5.678  -4.734  -4.734
  538   2HB   TYR  75          1HB       TYR  75   3.948  -4.842  -4.842
  539    HD1  TYR  75           HD1      TYR  75   7.131  -4.363  -4.363
  540    HD2  TYR  75           HD2      TYR  75   2.945  -3.415  -3.415
  541    HE1  TYR  75           HE1      TYR  75   7.331  -2.734  -2.734
  542    HE2  TYR  75           HE2      TYR  75   3.161  -1.798  -1.798
  543    HH   TYR  75           HH       TYR  75   4.482  -1.106  -1.106
  544    H    VAL  76           H        VAL  76   2.589  -6.856  -6.856
  545    HA   VAL  76           HA       VAL  76   2.556  -6.507  -6.507
  546    HB   VAL  76           HB       VAL  76   0.551  -8.008  -8.008
  547   1HG1  VAL  76          1HG1      VAL  76   0.604  -5.667  -5.667
  548   2HG1  VAL  76          3HG1      VAL  76  -0.862  -6.378  -6.378
  549   3HG1  VAL  76          2HG1      VAL  76   0.320  -5.578  -5.578
  550   1HG2  VAL  76          3HG2      VAL  76   1.150  -9.388  -9.388
  551   2HG2  VAL  76          1HG2      VAL  76  -0.486  -8.736  -8.736
  552   3HG2  VAL  76          2HG2      VAL  76   0.736  -7.978  -7.978
  553    H    LYS  77           HN       LYS  77   3.579  -9.332  -9.332
  554    HA   LYS  77           HA       LYS  77   3.583 -11.091 -11.091
  555   1HB   LYS  77          1HB       LYS  77   4.912 -11.699 -11.699
  556   2HB   LYS  77          2HB       LYS  77   4.214 -12.800 -12.800
  557   1HG   LYS  77          2HG       LYS  77   1.934 -11.649 -11.649
  558   2HG   LYS  77          1HG       LYS  77   2.823 -11.001 -11.001
  559   1HD   LYS  77          2HD       LYS  77   3.490 -13.354 -13.354
  560   2HD   LYS  77          1HD       LYS  77   2.392 -13.949 -13.949
  561   1HE   LYS  77          2HE       LYS  77   1.662 -12.297 -12.297
  562   2HE   LYS  77          1HE       LYS  77   1.274 -13.998 -13.998
  563   1HZ   LYS  77          1HZ       LYS  77  -0.075 -13.290 -13.290
  564   2HZ   LYS  77          3HZ       LYS  77   0.252 -11.707 -11.707
  565   3HZ   LYS  77          2HZ       LYS  77  -0.593 -12.618 -12.618
  566    H    ASP  78           HN       ASP  78   5.688  -8.676  -8.676
  567    HA   ASP  78           HA       ASP  78   8.021  -9.673  -9.673
  568   1HB   ASP  78          1HB       ASP  78   7.979  -9.163  -9.163
  569   2HB   ASP  78          2HB       ASP  78   9.460  -9.239  -9.239
  570    HA   PRO  79           HA       PRO  79   7.358  -4.976  -4.976
  571   1HB   PRO  79          2HB       PRO  79   6.985  -4.561  -4.561
  572   2HB   PRO  79          1HB       PRO  79   5.664  -4.826  -4.826
  573   1HG   PRO  79          1HG       PRO  79   7.045  -6.891  -6.891
  574   2HG   PRO  79          2HG       PRO  79   5.287  -6.618  -6.618
  575   1HD   PRO  79          1HD       PRO  79   6.499  -8.571  -8.571
  576   2HD   PRO  79          2HD       PRO  79   5.289  -7.510  -7.510
  577    H    GLY  80           H        GLY  80   9.116  -3.684  -3.684
  578   1HA   GLY  80          1HA       GLY  80  11.279  -3.105  -3.105
  579   2HA   GLY  80          2HA       GLY  80  11.265  -4.416  -4.416
  580    H    ALA  81           H        ALA  81  11.178  -6.694  -6.694
  581    HA   ALA  81           HA       ALA  81  13.646  -7.229  -7.229
  582   1HB   ALA  81          3HB       ALA  81  11.026  -8.759  -8.759
  583   2HB   ALA  81          1HB       ALA  81  12.620  -9.400  -9.400
  584   3HB   ALA  81          2HB       ALA  81  12.290  -8.954  -8.954
  585    H    PHE  82           H        PHE  82  10.491  -6.691  -6.691
  586    HA   PHE  82           HA       PHE  82  11.174  -6.970  -6.970
  587   1HB   PHE  82          1HB       PHE  82   8.931  -6.580  -6.580
  588   2HB   PHE  82          2HB       PHE  82   9.352  -4.925  -4.925
  589    HD1  PHE  82           HD2      PHE  82   9.737  -3.271  -3.271
  590    HD2  PHE  82           HD1      PHE  82   8.155  -7.238  -7.238
  591    HE1  PHE  82           HE2      PHE  82   8.955  -2.599  -2.599
  592    HE2  PHE  82           HE1      PHE  82   7.256  -6.502  -6.502
  593    HZ   PHE  82           HZ       PHE  82   7.684  -4.204  -4.204
  594    H    LEU  83           H        LEU  83  11.411  -3.985  -3.985
  595    HA   LEU  83           HA       LEU  83  12.417  -2.313  -2.313
  596   1HB   LEU  83          2HB       LEU  83  12.468  -2.103  -2.103
  597   2HB   LEU  83          1HB       LEU  83  13.054  -0.919  -0.919
  598    HG   LEU  83           HG       LEU  83  10.531  -1.226  -1.226
  599   1HD1  LEU  83          1HD2      LEU  83  10.350  -1.467  -1.467
  600   2HD1  LEU  83          2HD2      LEU  83   8.999  -1.136  -1.136
  601   3HD1  LEU  83          3HD2      LEU  83   9.832  -2.705  -2.705
  602   1HD2  LEU  83          2HD1      LEU  83  11.464   0.637   0.637
  603   2HD2  LEU  83          1HD1      LEU  83  11.679   0.915   0.915
  604   3HD2  LEU  83          3HD1      LEU  83  10.052   0.912   0.912
  605    H    LYS  84           HN       LYS  84  13.956  -4.125  -4.125
  606    HA   LYS  84           HA       LYS  84  16.628  -3.348  -3.348
  607   1HB   LYS  84          2HB       LYS  84  15.495  -5.956  -5.956
  608   2HB   LYS  84          1HB       LYS  84  17.212  -5.523  -5.523
  609   1HG   LYS  84          1HG       LYS  84  16.810  -3.614  -3.614
  610   2HG   LYS  84          2HG       LYS  84  15.052  -3.746  -3.746
  611   1HD   LYS  84          2HD       LYS  84  15.022  -5.876  -5.876
  612   2HD   LYS  84          1HD       LYS  84  16.787  -5.845  -5.845
  613   1HE   LYS  84          2HE       LYS  84  15.818  -5.084  -5.084
  614   2HE   LYS  84          1HE       LYS  84  16.642  -3.724  -3.724
  615   1HZ   LYS  84          3HZ       LYS  84  13.752  -4.250  -4.250
  616   2HZ   LYS  84          2HZ       LYS  84  14.503  -3.116  -3.116
  617   3HZ   LYS  84          1HZ       LYS  84  14.509  -2.970  -2.970
  618    H    GLU  85           HN       GLU  85  14.859  -6.167  -6.167
  619    HA   GLU  85           HA       GLU  85  16.875  -7.260  -7.260
  620   1HB   GLU  85          1HB       GLU  85  14.779  -8.339  -8.339
  621   2HB   GLU  85          2HB       GLU  85  13.870  -7.062  -7.062
  622   1HG   GLU  85          1HG       GLU  85  15.993  -8.557  -8.557
  623   2HG   GLU  85          2HG       GLU  85  14.437  -9.334  -9.334
  624    H    LYS  86           HN       LYS  86  14.655  -4.604  -4.604
  625    HA   LYS  86           HA       LYS  86  15.918  -4.319  -4.319
  626   1HB   LYS  86          2HB       LYS  86  13.871  -2.607  -2.607
  627   2HB   LYS  86          1HB       LYS  86  14.372  -2.407  -2.407
  628   1HG   LYS  86          2HG       LYS  86  13.646  -4.743  -4.743
  629   2HG   LYS  86          1HG       LYS  86  13.099  -4.904  -4.904
  630   1HD   LYS  86          1HD       LYS  86  11.434  -3.158  -3.158
  631   2HD   LYS  86          2HD       LYS  86  12.033  -2.798  -2.798
  632   1HE   LYS  86          1HE       LYS  86   9.993  -4.192  -4.192
  633   2HE   LYS  86          2HE       LYS  86  11.380  -5.034  -5.034
  634   1HZ   LYS  86          2HZ       LYS  86  10.392  -5.438  -5.438
  635   2HZ   LYS  86          3HZ       LYS  86  10.066  -6.418  -6.418
  636   3HZ   LYS  86          1HZ       LYS  86  11.612  -6.276  -6.276
  637    H    LEU  87           H        LEU  87  15.810  -2.205  -2.205
  638    HA   LEU  87           HA       LEU  87  17.522  -0.257  -0.257
  639   1HB   LEU  87          2HB       LEU  87  15.627   0.259   0.259
  640   2HB   LEU  87          1HB       LEU  87  16.534  -0.480  -0.480
  641    HG   LEU  87           HG       LEU  87  18.244   1.284   1.284
  642   1HD1  LEU  87          3HD2      LEU  87  16.544   2.369   2.369
  643   2HD1  LEU  87          2HD2      LEU  87  17.822   3.281   3.281
  644   3HD1  LEU  87          1HD2      LEU  87  18.240   1.836   1.836
  645   1HD2  LEU  87          2HD1      LEU  87  16.229   1.648   1.648
  646   2HD2  LEU  87          1HD1      LEU  87  16.855   3.167   3.167
  647   3HD2  LEU  87          3HD1      LEU  87  15.413   2.421   2.421
  648    H    ASP  88           HN       ASP  88  18.121  -3.013  -3.013
  649    HA   ASP  88           HA       ASP  88  19.917  -3.877  -3.877
  650   1HB   ASP  88          1HB       ASP  88  20.573  -4.022  -4.022
  651   2HB   ASP  88          2HB       ASP  88  21.366  -2.443  -2.443
  652    H    ASP  89           HN       ASP  89  19.127  -2.036  -2.036
  653    HA   ASP  89           HA       ASP  89  21.592  -0.867  -0.867
  654   1HB   ASP  89          1HB       ASP  89  20.510   0.880   0.880
  655   2HB   ASP  89          2HB       ASP  89  19.029   0.729   0.729
  656    H    LYS  90           HN       LYS  90  21.558  -1.004  -1.004
  657    HA   LYS  90           HA       LYS  90  19.685  -2.704  -2.704
  658   1HB   LYS  90          2HB       LYS  90  22.008  -2.397  -2.397
  659   2HB   LYS  90          1HB       LYS  90  21.714  -0.680  -0.680
  660   1HG   LYS  90          2HG       LYS  90  21.769  -1.937  -1.937
  661   2HG   LYS  90          1HG       LYS  90  20.174  -1.214  -1.214
  662   1HD   LYS  90          1HD       LYS  90  19.255  -3.377  -3.377
  663   2HD   LYS  90          2HD       LYS  90  20.858  -4.127  -4.127
  664   1HE   LYS  90          2HE       LYS  90  19.299  -2.936  -2.936
  665   2HE   LYS  90          1HE       LYS  90  19.382  -4.656  -4.656
  666   1HZ   LYS  90          1HZ       LYS  90  21.747  -4.568  -4.568
  667   2HZ   LYS  90          2HZ       LYS  90  21.663  -2.979  -2.979
  668   3HZ   LYS  90          3HZ       LYS  90  20.930  -4.123  -4.123
  669    H    LYS  91           HN       LYS  91  19.875   0.792   0.792
  670    HA   LYS  91           HA       LYS  91  17.764   1.433   1.433
  671   1HB   LYS  91          1HB       LYS  91  18.945   3.090   3.090
  672   2HB   LYS  91          2HB       LYS  91  17.996   3.714   3.714
  673   1HG   LYS  91          2HG       LYS  91  19.767   2.939   2.939
  674   2HG   LYS  91          1HG       LYS  91  20.768   2.435   2.435
  675   1HD   LYS  91          2HD       LYS  91  19.797   5.281   5.281
  676   2HD   LYS  91          1HD       LYS  91  21.415   4.650   4.650
  677   1HE   LYS  91          2HE       LYS  91  21.688   4.119   4.119
  678   2HE   LYS  91          1HE       LYS  91  20.145   4.933   4.933
  679   1HZ   LYS  91          1HZ       LYS  91  21.061   6.923   6.923
  680   2HZ   LYS  91          3HZ       LYS  91  22.508   6.181   6.181
  681   3HZ   LYS  91          2HZ       LYS  91  21.969   6.380   6.380
  682    H    ALA  92           H        ALA  92  17.465  -0.255  -0.255
  683    HA   ALA  92           HA       ALA  92  15.198   1.115   1.115
  684   1HB   ALA  92          1HB       ALA  92  16.822  -0.291  -0.291
  685   2HB   ALA  92          2HB       ALA  92  16.200  -1.705  -1.705
  686   3HB   ALA  92          3HB       ALA  92  15.140  -0.788  -0.788
  687    H    LYS  93           HN       LYS  93  14.324   1.230   1.230
  688    HA   LYS  93           HA       LYS  93  12.818  -1.202  -1.202
  689   1HB   LYS  93          1HB       LYS  93  13.320   1.481   1.481
  690   2HB   LYS  93          2HB       LYS  93  12.459   0.107   0.107
  691   1HG   LYS  93          1HG       LYS  93  14.493  -1.285  -1.285
  692   2HG   LYS  93          2HG       LYS  93  15.383   0.078   0.078
  693   1HD   LYS  93          1HD       LYS  93  15.033   1.401   1.401
  694   2HD   LYS  93          2HD       LYS  93  14.037   0.109   0.109
  695   1HE   LYS  93          2HE       LYS  93  16.270   0.012   0.012
  696   2HE   LYS  93          1HE       LYS  93  15.981  -1.434  -1.434
  697   1HZ   LYS  93          3HZ       LYS  93  17.476   0.940   0.940
  698   2HZ   LYS  93          2HZ       LYS  93  18.147  -0.468  -0.468
  699   3HZ   LYS  93          1HZ       LYS  93  17.274  -0.451  -0.451
  700    H    THR  94           H        THR  94  10.573  -0.308  -0.308
  701    HA   THR  94           HA       THR  94   9.226   1.669   1.669
  702    HB   THR  94           HB       THR  94   8.777  -0.245  -0.245
  703    HG1  THR  94           HG1      THR  94   6.539  -0.367  -0.367
  704   1HG2  THR  94          3HG2      THR  94   9.352  -2.087  -2.087
  705   2HG2  THR  94          2HG2      THR  94   7.874  -1.746  -1.746
  706   3HG2  THR  94          1HG2      THR  94   7.761  -2.328  -2.328
  707    H    GLY  95           H        GLY  95   7.385   2.434   2.434
  708   1HA   GLY  95          1HA       GLY  95   7.370   2.165   2.165
  709   2HA   GLY  95          2HA       GLY  95   6.168   2.995   2.995
  710    H    MET  96           H        MET  96   5.991   0.294   0.294
  711    HA   MET  96           HA       MET  96   3.671  -0.633  -0.633
  712   1HB   MET  96          1HB       MET  96   4.259  -0.593  -0.593
  713   2HB   MET  96          2HB       MET  96   5.318  -1.972  -1.972
  714   1HG   MET  96          1HG       MET  96   3.574  -3.421  -3.421
  715   2HG   MET  96          2HG       MET  96   2.500  -2.200  -2.200
  716   1HE   MET  96          2HE       MET  96   3.357  -4.385  -4.385
  717   2HE   MET  96          1HE       MET  96   1.675  -4.571  -4.571
  718   3HE   MET  96          3HE       MET  96   2.007  -3.984  -3.984
  719    H    ALA  97           H        ALA  97   4.612  -1.035  -1.035
  720    HA   ALA  97           HA       ALA  97   6.020  -3.534  -3.534
  721   1HB   ALA  97          3HB       ALA  97   6.160  -1.624  -1.624
  722   2HB   ALA  97          1HB       ALA  97   4.420  -1.751  -1.751
  723   3HB   ALA  97          2HB       ALA  97   5.520  -3.062  -3.062
  724    H    PHE  98           H        PHE  98   4.257  -4.425  -4.425
  725    HA   PHE  98           HA       PHE  98   2.543  -6.275  -6.275
  726   1HB   PHE  98          1HB       PHE  98   0.981  -4.419  -4.419
  727   2HB   PHE  98          2HB       PHE  98   1.393  -3.943  -3.943
  728    HD1  PHE  98           HD2      PHE  98   0.540  -5.145  -5.145
  729    HD2  PHE  98           HD1      PHE  98  -0.535  -6.363  -6.363
  730    HE1  PHE  98           HE2      PHE  98  -1.231  -6.609  -6.609
  731    HE2  PHE  98           HE1      PHE  98  -2.352  -7.773  -7.773
  732    HZ   PHE  98           HZ       PHE  98  -2.719  -7.884  -7.884
  733    H    LYS  99           HN       LYS  99   2.084  -8.034  -8.034
  734    HA   LYS  99           HA       LYS  99   2.682  -7.733  -7.733
  735   1HB   LYS  99          2HB       LYS  99   3.756 -10.288 -10.288
  736   2HB   LYS  99          1HB       LYS  99   4.497  -9.014  -9.014
  737   1HG   LYS  99          1HG       LYS  99   5.235  -7.949  -7.949
  738   2HG   LYS  99          2HG       LYS  99   4.563  -9.381  -9.381
  739   1HD   LYS  99          2HD       LYS  99   6.044 -10.810 -10.810
  740   2HD   LYS  99          1HD       LYS  99   6.775  -9.326  -9.326
  741   1HE   LYS  99          1HE       LYS  99   7.490  -8.714  -8.714
  742   2HE   LYS  99          2HE       LYS  99   6.805 -10.237 -10.237
  743   1HZ   LYS  99          3HZ       LYS  99   8.326 -11.404 -11.404
  744   2HZ   LYS  99          1HZ       LYS  99   8.962  -9.986  -9.986
  745   3HZ   LYS  99          2HZ       LYS  99   9.141 -10.413 -10.413
  746    H    LEU 100           H        LEU 100   1.833  -9.583  -9.583
  747    HA   LEU 100           HA       LEU 100   0.133 -11.494 -11.494
  748   1HB   LEU 100          2HB       LEU 100  -1.342  -9.501  -9.501
  749   2HB   LEU 100          1HB       LEU 100  -1.014  -9.422  -9.422
  750    HG   LEU 100           HG       LEU 100  -2.048 -11.729 -11.729
  751   1HD1  LEU 100          2HD2      LEU 100  -2.878 -11.251 -11.251
  752   2HD1  LEU 100          1HD2      LEU 100  -3.507 -12.525 -12.525
  753   3HD1  LEU 100          3HD2      LEU 100  -1.814 -12.550 -12.550
  754   1HD2  LEU 100          1HD1      LEU 100  -3.263  -9.624  -9.624
  755   2HD2  LEU 100          2HD1      LEU 100  -4.328 -10.902 -10.902
  756   3HD2  LEU 100          3HD1      LEU 100  -3.838  -9.575  -9.575
  757    H    ALA 101           H        ALA 101   0.913 -13.307 -13.307
  758    HA   ALA 101           HA       ALA 101   1.998 -13.213 -13.213
  759   1HB   ALA 101          3HB       ALA 101   3.045 -14.529 -14.529
  760   2HB   ALA 101          2HB       ALA 101   1.600 -15.564 -15.564
  761   3HB   ALA 101          1HB       ALA 101   2.605 -15.538 -15.538
  762    H    LYS 102           HN       LYS 102  -0.756 -12.534 -12.534
  763    HA   LYS 102           HA       LYS 102  -1.953 -14.265 -14.265
  764   1HB   LYS 102          1HB       LYS 102  -3.131 -14.140 -14.140
  765   2HB   LYS 102          2HB       LYS 102  -4.081 -14.621 -14.621
  766   1HG   LYS 102          2HG       LYS 102  -1.709 -16.121 -16.121
  767   2HG   LYS 102          1HG       LYS 102  -3.400 -16.544 -16.544
  768   1HD   LYS 102          2HD       LYS 102  -1.735 -16.554 -16.554
  769   2HD   LYS 102          1HD       LYS 102  -2.335 -17.946 -17.946
  770   1HE   LYS 102          1HE       LYS 102  -4.025 -15.910 -15.910
  771   2HE   LYS 102          2HE       LYS 102  -3.690 -17.581 -17.581
  772   1HZ   LYS 102          2HZ       LYS 102  -4.855 -18.298 -18.298
  773   2HZ   LYS 102          3HZ       LYS 102  -5.190 -16.738 -16.738
  774   3HZ   LYS 102          1HZ       LYS 102  -5.826 -17.377 -17.377
  775    H    GLY 103           H        GLY 103  -4.406 -13.284 -13.284
  776   1HA   GLY 103          1HA       GLY 103  -5.772 -11.476 -11.476
  777   2HA   GLY 103          2HA       GLY 103  -4.741 -10.572 -10.572
  778    H    GLY 104           H        GLY 104  -2.400 -10.321 -10.321
  779   1HA   GLY 104          1HA       GLY 104  -2.069  -8.197  -8.197
  780   2HA   GLY 104          2HA       GLY 104  -1.191  -9.650  -9.650
  781    H    GLU 105           HN       GLU 105  -2.693 -11.083 -11.083
  782    HA   GLU 105           HA       GLU 105  -2.869  -9.583  -9.583
  783   1HB   GLU 105          2HB       GLU 105  -3.892 -11.808 -11.808
  784   2HB   GLU 105          1HB       GLU 105  -2.202 -11.779 -11.779
  785   1HG   GLU 105          1HG       GLU 105  -4.352 -12.629 -12.629
  786   2HG   GLU 105          2HG       GLU 105  -3.724 -13.723 -13.723
  787    H    ASP 106           HN       ASP 106  -5.281 -10.806 -10.806
  788    HA   ASP 106           HA       ASP 106  -7.608 -10.225 -10.225
  789   1HB   ASP 106          2HB       ASP 106  -7.390 -10.567 -10.567
  790   2HB   ASP 106          1HB       ASP 106  -8.828 -10.732 -10.732
  791    H    VAL 107           H        VAL 107  -5.877  -8.677  -8.677
  792    HA   VAL 107           HA       VAL 107  -7.499  -6.348  -6.348
  793    HB   VAL 107           HB       VAL 107  -4.607  -6.787  -6.787
  794   1HG1  VAL 107          3HG2      VAL 107  -6.488  -4.417  -4.417
  795   2HG1  VAL 107          1HG2      VAL 107  -5.271  -4.699  -4.699
  796   3HG1  VAL 107          2HG2      VAL 107  -4.769  -4.438  -4.438
  797   1HG2  VAL 107          3HG1      VAL 107  -6.331  -8.160  -8.160
  798   2HG2  VAL 107          2HG1      VAL 107  -5.593  -6.942  -6.942
  799   3HG2  VAL 107          1HG1      VAL 107  -7.217  -6.670  -6.670
  800    H    ALA 108           H        ALA 108  -4.455  -6.997  -6.997
  801    HA   ALA 108           HA       ALA 108  -4.286  -4.453  -4.453
  802   1HB   ALA 108          3HB       ALA 108  -2.518  -6.149  -6.149
  803   2HB   ALA 108          1HB       ALA 108  -3.563  -7.139  -7.139
  804   3HB   ALA 108          2HB       ALA 108  -3.029  -5.536  -5.536
  805    H    ALA 109           H        ALA 109  -6.109  -7.333  -7.333
  806    HA   ALA 109           HA       ALA 109  -7.222  -6.049  -6.049
  807   1HB   ALA 109          1HB       ALA 109  -7.313  -8.458  -8.458
  808   2HB   ALA 109          3HB       ALA 109  -8.421  -8.260  -8.260
  809   3HB   ALA 109          2HB       ALA 109  -8.940  -7.808  -7.808
  810    H    TYR 110           H        TYR 110  -8.439  -6.229  -6.229
  811    HA   TYR 110           HA       TYR 110 -10.864  -4.805  -4.805
  812   1HB   TYR 110          2HB       TYR 110 -10.512  -5.960  -5.960
  813   2HB   TYR 110          1HB       TYR 110  -9.003  -5.138  -5.138
  814    HD1  TYR 110           HD2      TYR 110 -12.668  -4.422  -4.422
  815    HD2  TYR 110           HD1      TYR 110  -8.953  -3.317  -3.317
  816    HE1  TYR 110           HE2      TYR 110 -13.873  -2.794  -2.794
  817    HE2  TYR 110           HE1      TYR 110 -10.158  -1.708  -1.708
  818    HH   TYR 110           HH       TYR 110 -12.203  -0.850  -0.850
  819    H    LEU 111           H        LEU 111  -7.596  -3.531  -3.531
  820    HA   LEU 111           HA       LEU 111  -8.359  -0.799  -0.799
  821   1HB   LEU 111          1HB       LEU 111  -5.688  -2.123  -2.123
  822   2HB   LEU 111          2HB       LEU 111  -5.899  -0.382  -0.382
  823    HG   LEU 111           HG       LEU 111  -6.738  -2.439  -2.439
  824   1HD1  LEU 111          2HD1      LEU 111  -4.312  -2.580  -2.580
  825   2HD1  LEU 111          1HD1      LEU 111  -4.172  -0.824  -0.824
  826   3HD1  LEU 111          3HD1      LEU 111  -4.668  -1.848  -1.848
  827   1HD2  LEU 111          1HD2      LEU 111  -6.387   0.579   0.579
  828   2HD2  LEU 111          2HD2      LEU 111  -7.895  -0.327  -0.327
  829   3HD2  LEU 111          3HD2      LEU 111  -6.601  -0.444  -0.444
  830    H    ALA 112           H        ALA 112  -7.065  -2.820  -2.820
  831    HA   ALA 112           HA       ALA 112  -6.908  -0.830  -0.830
  832   1HB   ALA 112          3HB       ALA 112  -5.929  -3.087  -3.087
  833   2HB   ALA 112          1HB       ALA 112  -7.552  -3.787  -3.787
  834   3HB   ALA 112          2HB       ALA 112  -6.939  -2.684  -2.684
  835    H    SER 113           H        SER 113  -9.692  -2.942  -2.942
  836    HA   SER 113           HA       SER 113 -11.398  -1.778  -1.778
  837   1HB   SER 113          1HB       SER 113 -13.218  -2.992  -2.992
  838   2HB   SER 113          2HB       SER 113 -11.925  -3.979  -3.979
  839    HG   SER 113           HG       SER 113 -10.976  -4.139  -4.139
  840    H    VAL 114           H        VAL 114 -10.814  -1.138  -1.138
  841    HA   VAL 114           HA       VAL 114 -12.946   0.654   0.654
  842    HB   VAL 114           HB       VAL 114 -10.284   0.079   0.079
  843   1HG1  VAL 114          2HG1      VAL 114 -12.089   2.316   2.316
  844   2HG1  VAL 114          1HG1      VAL 114 -10.756   1.603   1.603
  845   3HG1  VAL 114          3HG1      VAL 114 -10.396   2.459   2.459
  846   1HG2  VAL 114          1HG2      VAL 114 -12.339  -1.349  -1.349
  847   2HG2  VAL 114          3HG2      VAL 114 -11.660  -0.610  -0.610
  848   3HG2  VAL 114          2HG2      VAL 114 -13.117   0.076   0.076
  849    H    VAL 115           H        VAL 115  -9.588   1.387   1.387
  850    HA   VAL 115           HA       VAL 115  -9.960   4.191   4.191
  851    HB   VAL 115           HB       VAL 115  -7.812   3.240   3.240
  852   1HG1  VAL 115          2HG2      VAL 115  -8.008   1.400   1.400
  853   2HG1  VAL 115          3HG2      VAL 115  -7.939   2.578   2.578
  854   3HG1  VAL 115          1HG2      VAL 115  -6.568   2.392   2.392
  855   1HG2  VAL 115          3HG1      VAL 115  -8.038   5.577   5.577
  856   2HG2  VAL 115          2HG1      VAL 115  -6.667   4.846   4.846
  857   3HG2  VAL 115          1HG1      VAL 115  -8.184   5.115   5.115
  858    H    LYS 116           HN       LYS 116 -11.905   4.687   4.687
  859    HA   LYS 116           HA       LYS 116 -12.154   4.922   4.922
  860   1HB   LYS 116          1HB       LYS 116 -14.239   4.785   4.785
  861   2HB   LYS 116          2HB       LYS 116 -14.602   5.028   5.028
  862   1HG   LYS 116          2HG       LYS 116 -13.651   2.877   2.877
  863   2HG   LYS 116          1HG       LYS 116 -13.135   2.560   2.560
  864   1HD   LYS 116          2HD       LYS 116 -16.049   2.940   2.940
  865   2HD   LYS 116          1HD       LYS 116 -15.224   1.371   1.371
  866   1HE   LYS 116          1HE       LYS 116 -14.682   1.809   1.809
  867   2HE   LYS 116          2HE       LYS 116 -15.598   3.323   3.323
  868   1HZ   LYS 116          3HZ       LYS 116 -16.688   0.645   0.645
  869   2HZ   LYS 116          1HZ       LYS 116 -16.897   1.553   1.553
  870   3HZ   LYS 116          2HZ       LYS 116 -17.539   2.056   2.056
  871    HHA  HEC 117           HHA      HEM 117   3.152   2.274   2.274
  872    HHB  HEC 117           HHB      HEM 117  -0.686  -2.252  -2.252
  873    HHC  HEC 117           HHC      HEM 117  -2.260  -4.019  -4.019
  874    HHD  HEC 117           HHD      HEM 117   1.469   0.590   0.590
  875   1HMA  HEC 117          1HMA      HEM 117  -0.116  -0.524  -0.524
  876   2HMA  HEC 117          2HMA      HEM 117   1.520   0.008   0.008
  877   3HMA  HEC 117          3HMA      HEM 117   1.250  -1.667  -1.667
  878   1HAA  HEC 117          1HAA      HEM 117   3.632   2.040   2.040
  879   2HAA  HEC 117          2HAA      HEM 117   3.146   1.234   1.234
  880   1HBA  HEC 117          1HBA      HEM 117   1.546   3.464   3.464
  881   2HBA  HEC 117          2HBA      HEM 117   1.190   2.669   2.669
  882   1HMB  HEC 117          1HMB      HEM 117  -3.125  -3.268  -3.268
  883   2HMB  HEC 117          2HMB      HEM 117  -1.734  -4.356  -4.356
  884   3HMB  HEC 117          3HMB      HEM 117  -3.199  -4.940  -4.940
  885    HAB  HEC 117           HAB      HEM 117  -3.443  -5.144  -5.144
  886   1HBB  HEC 117          1HBB      HEM 117  -2.072  -6.782  -6.782
  887   2HBB  HEC 117          2HBB      HEM 117  -3.220  -6.610  -6.610
  888   3HBB  HEC 117          3HBB      HEM 117  -3.786  -7.188  -7.188
  889   1HMC  HEC 117          1HMC      HEM 117  -2.407  -2.921  -2.921
  890   2HMC  HEC 117          2HMC      HEM 117  -2.192  -4.221  -4.221
  891   3HMC  HEC 117          3HMC      HEM 117  -3.311  -2.890  -2.890
  892    HAC  HEC 117           HAC      HEM 117  -0.579  -2.022  -2.022
  893   1HBC  HEC 117          1HBC      HEM 117   1.078  -0.994  -0.994
  894   2HBC  HEC 117          2HBC      HEM 117   1.871  -1.253  -1.253
  895   3HBC  HEC 117          3HBC      HEM 117   1.209   0.354   0.354
  896   1HMD  HEC 117          1HMD      HEM 117   3.189   2.009   2.009
  897   2HMD  HEC 117          2HMD      HEM 117   3.799   3.409   3.409
  898   3HMD  HEC 117          3HMD      HEM 117   2.089   3.334   3.334
  899   1HAD  HEC 117          1HAD      HEM 117   3.966   4.252   4.252
  900   2HAD  HEC 117          2HAD      HEM 117   3.574   4.042   4.042
  901   1HBD  HEC 117          1HBD      HEM 117   5.559   2.235   2.235
  902   2HBD  HEC 117          2HBD      HEM 117   5.410   2.525   2.525

  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -7.641 -13.553 -13.553
    2   2H    GLY   1          2H        GLY   1  -6.990 -12.694 -12.694
    3   1HA   GLY   1          1HA       GLY   1  -7.035 -10.669 -10.669
    4   2HA   GLY   1          2HA       GLY   1  -7.698 -11.566 -11.566
    5    H    ASP   2           HN       ASP   2  -8.954 -12.556 -12.556
    6    HA   ASP   2           HA       ASP   2 -11.632 -11.726 -11.726
    7   1HB   ASP   2          1HB       ASP   2 -11.073 -13.869 -13.869
    8   2HB   ASP   2          2HB       ASP   2 -10.658 -12.993 -12.993
    9    H    ALA   3           H        ALA   3 -11.227  -9.448  -9.448
   10    HA   ALA   3           HA       ALA   3 -10.513  -7.666  -7.666
   11   1HB   ALA   3          2HB       ALA   3 -12.884  -7.417  -7.417
   12   2HB   ALA   3          1HB       ALA   3 -12.080  -6.063  -6.063
   13   3HB   ALA   3          3HB       ALA   3 -11.186  -7.032  -7.032
   14    H    ALA   4           H        ALA   4 -13.629  -9.440  -9.440
   15    HA   ALA   4           HA       ALA   4 -14.863  -7.841  -7.841
   16   1HB   ALA   4          2HB       ALA   4 -16.169  -9.308  -9.308
   17   2HB   ALA   4          1HB       ALA   4 -15.414 -10.742 -10.742
   18   3HB   ALA   4          3HB       ALA   4 -16.439  -9.685  -9.685
   19    H    LYS   5           HN       LYS   5 -13.061 -10.976 -10.976
   20    HA   LYS   5           HA       LYS   5 -13.057 -11.199 -11.199
   21   1HB   LYS   5          1HB       LYS   5 -11.125 -12.237 -12.237
   22   2HB   LYS   5          2HB       LYS   5 -11.020 -12.661 -12.661
   23   1HG   LYS   5          2HG       LYS   5 -13.546 -13.160 -13.160
   24   2HG   LYS   5          1HG       LYS   5 -12.212 -14.318 -14.318
   25   1HD   LYS   5          1HD       LYS   5 -12.448 -14.386 -14.386
   26   2HD   LYS   5          2HD       LYS   5 -13.832 -13.278 -13.278
   27   1HE   LYS   5          2HE       LYS   5 -15.034 -14.911 -14.911
   28   2HE   LYS   5          1HE       LYS   5 -13.658 -16.024 -16.024
   29   1HZ   LYS   5          1HZ       LYS   5 -15.283 -15.085 -15.085
   30   2HZ   LYS   5          3HZ       LYS   5 -15.371 -16.571 -16.571
   31   3HZ   LYS   5          2HZ       LYS   5 -14.006 -16.123 -16.123
   32    H    GLY   6           H        GLY   6 -10.869  -9.572  -9.572
   33   1HA   GLY   6          1HA       GLY   6  -8.883  -8.660  -8.660
   34   2HA   GLY   6          2HA       GLY   6  -9.454  -7.792  -7.792
   35    H    GLU   7           HN       GLU   7 -12.007  -7.076  -7.076
   36    HA   GLU   7           HA       GLU   7 -11.785  -4.819  -4.819
   37   1HB   GLU   7          2HB       GLU   7 -13.544  -5.196  -5.196
   38   2HB   GLU   7          1HB       GLU   7 -14.328  -6.358  -6.358
   39   1HG   GLU   7          1HG       GLU   7 -14.593  -4.540  -4.540
   40   2HG   GLU   7          2HG       GLU   7 -13.930  -3.392  -3.392
   41    H    LYS   8           HN       LYS   8 -13.182  -8.074  -8.074
   42    HA   LYS   8           HA       LYS   8 -13.909  -7.386  -7.386
   43   1HB   LYS   8          2HB       LYS   8 -13.199 -10.181 -10.181
   44   2HB   LYS   8          1HB       LYS   8 -14.208  -9.695  -9.695
   45   1HG   LYS   8          1HG       LYS   8 -14.835  -9.580  -9.580
   46   2HG   LYS   8          2HG       LYS   8 -15.704 -10.410 -10.410
   47   1HD   LYS   8          2HD       LYS   8 -16.448  -8.206  -8.206
   48   2HD   LYS   8          1HD       LYS   8 -15.586  -7.376  -7.376
   49   1HE   LYS   8          1HE       LYS   8 -16.946  -8.634  -8.634
   50   2HE   LYS   8          2HE       LYS   8 -17.906  -9.307  -9.307
   51   1HZ   LYS   8          1HZ       LYS   8 -18.466  -7.040  -7.040
   52   2HZ   LYS   8          2HZ       LYS   8 -17.605  -6.460  -6.460
   53   3HZ   LYS   8          3HZ       LYS   8 -18.937  -7.393  -7.393
   54    H    GLU   9           HN       GLU   9 -10.982  -8.953  -8.953
   55    HA   GLU   9           HA       GLU   9  -9.560  -9.388  -9.388
   56   1HB   GLU   9          2HB       GLU   9  -9.027 -10.188 -10.188
   57   2HB   GLU   9          1HB       GLU   9  -8.460  -8.565  -8.565
   58   1HG   GLU   9          1HG       GLU   9  -6.559  -9.948  -9.948
   59   2HG   GLU   9          2HG       GLU   9  -6.718  -8.795  -8.795
   60    H    PHE  10           H        PHE  10  -9.800  -6.471  -6.471
   61    HA   PHE  10           HA       PHE  10  -7.941  -4.859  -4.859
   62   1HB   PHE  10          2HB       PHE  10  -9.324  -4.425  -4.425
   63   2HB   PHE  10          1HB       PHE  10 -10.566  -3.782  -3.782
   64    HD1  PHE  10           HD2      PHE  10  -7.108  -3.342  -3.342
   65    HD2  PHE  10           HD1      PHE  10 -10.208  -1.645  -1.645
   66    HE1  PHE  10           HE2      PHE  10  -5.813  -1.248  -1.248
   67    HE2  PHE  10           HE1      PHE  10  -8.901   0.461   0.461
   68    HZ   PHE  10           HZ       PHE  10  -6.695   0.656   0.656
   69    H    ASN  11           H        ASN  11 -10.895  -6.004  -6.004
   70    HA   ASN  11           HA       ASN  11 -11.366  -3.874  -3.874
   71   1HB   ASN  11          1HB       ASN  11 -11.873  -6.864  -6.864
   72   2HB   ASN  11          2HB       ASN  11 -12.143  -5.797  -5.797
   73   1HD2  ASN  11          1HD2      ASN  11 -14.674  -5.470  -5.470
   74   2HD2  ASN  11          2HD2      ASN  11 -13.196  -6.432  -6.432
   75    H    LYS  12           HN       LYS  12  -8.702  -6.200  -6.200
   76    HA   LYS  12           HA       LYS  12  -7.847  -5.557  -5.557
   77   1HB   LYS  12          2HB       LYS  12  -6.470  -7.010  -7.010
   78   2HB   LYS  12          1HB       LYS  12  -5.818  -6.809  -6.809
   79   1HG   LYS  12          2HG       LYS  12  -7.903  -7.870  -7.870
   80   2HG   LYS  12          1HG       LYS  12  -8.433  -8.224  -8.224
   81   1HD   LYS  12          1HD       LYS  12  -5.826  -9.236  -9.236
   82   2HD   LYS  12          2HD       LYS  12  -7.348 -10.143 -10.143
   83   1HE   LYS  12          2HE       LYS  12  -7.351  -9.942  -9.942
   84   2HE   LYS  12          1HE       LYS  12  -5.748  -9.188  -9.188
   85   1HZ   LYS  12          2HZ       LYS  12  -6.422 -11.874 -11.874
   86   2HZ   LYS  12          3HZ       LYS  12  -5.644 -11.506 -11.506
   87   3HZ   LYS  12          1HZ       LYS  12  -4.926 -11.177 -11.177
   88    H    CYS  13           H        CYS  13  -6.774  -4.770  -4.770
   89    HA   CYS  13           HA       CYS  13  -4.680  -3.037  -3.037
   90   1HB   CYS  13          1HB       CYS  13  -6.688  -2.636  -2.636
   91   2HB   CYS  13          2HB       CYS  13  -5.018  -2.058  -2.058
   92    H    LYS  14           HN       LYS  14  -8.170  -2.238  -2.238
   93    HA   LYS  14           HA       LYS  14  -7.937   0.496   0.496
   94   1HB   LYS  14          2HB       LYS  14 -10.180   0.645   0.645
   95   2HB   LYS  14          1HB       LYS  14 -10.020  -0.927  -0.927
   96   1HG   LYS  14          2HG       LYS  14 -10.153  -1.988  -1.988
   97   2HG   LYS  14          1HG       LYS  14 -10.400  -0.396  -0.396
   98   1HD   LYS  14          2HD       LYS  14 -12.417  -0.030  -0.030
   99   2HD   LYS  14          1HD       LYS  14 -12.265  -1.643  -1.643
  100   1HE   LYS  14          1HE       LYS  14 -12.538  -1.081  -1.081
  101   2HE   LYS  14          2HE       LYS  14 -13.892  -1.491  -1.491
  102   1HZ   LYS  14          3HZ       LYS  14 -11.561  -3.238  -3.238
  103   2HZ   LYS  14          2HZ       LYS  14 -12.992  -3.373  -3.373
  104   3HZ   LYS  14          1HZ       LYS  14 -12.956  -3.571  -3.571
  105    H    THR  15           H        THR  15  -7.257  -1.739  -1.739
  106    HA   THR  15           HA       THR  15  -7.810  -0.134  -0.134
  107    HB   THR  15           HB       THR  15  -5.523  -2.119  -2.119
  108    HG1  THR  15           HG1      THR  15  -7.322  -3.202  -3.202
  109   1HG2  THR  15          1HG2      THR  15  -7.122  -1.244  -1.244
  110   2HG2  THR  15          2HG2      THR  15  -5.927  -2.556  -2.556
  111   3HG2  THR  15          3HG2      THR  15  -5.408  -0.885  -0.885
  112    H    CYS  16           H        CYS  16  -5.294   0.048   0.048
  113    HA   CYS  16           HA       CYS  16  -3.999   2.311   2.311
  114   1HB   CYS  16          1HB       CYS  16  -2.806   0.341   0.341
  115   2HB   CYS  16          2HB       CYS  16  -1.980   1.775   1.775
  116    H    HIS  17           HN       HIS  17  -5.056   1.042   1.042
  117    HA   HIS  17           HA       HIS  17  -4.376   3.593   3.593
  118   1HB   HIS  17          1HB       HIS  17  -5.185   0.791   0.791
  119   2HB   HIS  17          2HB       HIS  17  -4.964   2.147   2.147
  120    HD1  HIS  17           HD1      HIS  17  -2.576   3.375   3.375
  121    HD2  HIS  17           HD2      HIS  17  -2.742  -0.509  -0.509
  122    HE1  HIS  17           HE1      HIS  17  -0.268   2.343   2.343
  123    H    SER  18           H        SER  18  -5.939   4.258   4.258
  124    HA   SER  18           HA       SER  18  -8.805   3.801   3.801
  125   1HB   SER  18          2HB       SER  18  -9.174   6.219   6.219
  126   2HB   SER  18          1HB       SER  18  -7.984   5.862   5.862
  127    HG   SER  18           HG       SER  18  -6.344   6.485   6.485
  128    H    ILE  19           H        ILE  19 -10.188   4.443   4.443
  129    HA   ILE  19           HA       ILE  19  -8.893   4.750   4.750
  130    HB   ILE  19           HB       ILE  19 -10.776   2.511   2.511
  131   1HG1  ILE  19          1HG1      ILE  19  -8.241   2.585   2.585
  132   2HG1  ILE  19          2HG1      ILE  19  -8.311   2.130   2.130
  133   1HG2  ILE  19          2HG2      ILE  19 -11.744   3.653   3.653
  134   2HG2  ILE  19          1HG2      ILE  19 -10.246   3.206   3.206
  135   3HG2  ILE  19          3HG2      ILE  19 -11.331   1.966   1.966
  136   1HD1  ILE  19          3HD1      ILE  19  -9.803   0.231   0.231
  137   2HD1  ILE  19          1HD1      ILE  19  -9.573   0.606   0.606
  138   3HD1  ILE  19          2HD1      ILE  19  -8.192   0.130   0.130
  139    H    ILE  20           H        ILE  20  -9.714   6.713   6.713
  140    HA   ILE  20           HA       ILE  20 -12.484   7.415   7.415
  141    HB   ILE  20           HB       ILE  20 -10.514   8.337   8.337
  142   1HG1  ILE  20          2HG1      ILE  20 -11.981  10.757  10.757
  143   2HG1  ILE  20          1HG1      ILE  20 -13.033   9.395   9.395
  144   1HG2  ILE  20          2HG2      ILE  20  -9.153   8.982   8.982
  145   2HG2  ILE  20          1HG2      ILE  20 -10.232  10.351  10.351
  146   3HG2  ILE  20          3HG2      ILE  20  -9.260  10.192  10.192
  147   1HD1  ILE  20          3HD1      ILE  20 -10.812  10.342  10.342
  148   2HD1  ILE  20          2HD1      ILE  20 -12.514  10.825  10.825
  149   3HD1  ILE  20          1HD1      ILE  20 -12.055   9.117   9.117
  150    H    ALA  21           H        ALA  21 -13.748   8.146   8.146
  151    HA   ALA  21           HA       ALA  21 -12.765   7.933   7.933
  152   1HB   ALA  21          2HB       ALA  21 -15.150   7.635   7.635
  153   2HB   ALA  21          3HB       ALA  21 -15.241   9.382   9.382
  154   3HB   ALA  21          1HB       ALA  21 -14.969   8.809   8.809
  155    HA   PRO  22           HA       PRO  22 -11.029  11.957  11.957
  156   1HB   PRO  22          2HB       PRO  22 -13.014  12.156  12.156
  157   2HB   PRO  22          1HB       PRO  22 -11.265  12.523  12.523
  158   1HG   PRO  22          1HG       PRO  22 -12.145  10.166  10.166
  159   2HG   PRO  22          2HG       PRO  22 -10.724  10.171  10.171
  160   1HD   PRO  22          2HD       PRO  22 -13.598   9.529   9.529
  161   2HD   PRO  22          1HD       PRO  22 -12.106   8.649   8.649
  162    H    ASP  23           HN       ASP  23 -14.554  11.730  11.730
  163    HA   ASP  23           HA       ASP  23 -15.236  14.363  14.363
  164   1HB   ASP  23          2HB       ASP  23 -16.917  11.845  11.845
  165   2HB   ASP  23          1HB       ASP  23 -17.500  13.497  13.497
  166    H    GLY  24           H        GLY  24 -13.658  12.342  12.342
  167   1HA   GLY  24          1HA       GLY  24 -13.364  12.647  12.647
  168   2HA   GLY  24          2HA       GLY  24 -14.766  13.717  13.717
  169    H    THR  25           H        THR  25 -16.137  11.191  11.191
  170    HA   THR  25           HA       THR  25 -17.567  10.235  10.235
  171    HB   THR  25           HB       THR  25 -17.065   8.543   8.543
  172    HG1  THR  25           HG1      THR  25 -18.464  11.011  11.011
  173   1HG2  THR  25          2HG2      THR  25 -18.731   7.779   7.779
  174   2HG2  THR  25          3HG2      THR  25 -19.597   9.325   9.325
  175   3HG2  THR  25          1HG2      THR  25 -19.487   8.223   8.223
  176    H    GLU  26           HN       GLU  26 -16.831   9.120   9.120
  177    HA   GLU  26           HA       GLU  26 -14.296   7.790   7.790
  178   1HB   GLU  26          2HB       GLU  26 -16.451   7.679   7.679
  179   2HB   GLU  26          1HB       GLU  26 -14.705   7.431   7.431
  180   1HG   GLU  26          1HG       GLU  26 -14.442   9.855   9.855
  181   2HG   GLU  26          2HG       GLU  26 -16.178  10.041  10.041
  182    H    ILE  27           H        ILE  27 -14.869   6.340   6.340
  183    HA   ILE  27           HA       ILE  27 -16.608   4.172   4.172
  184    HB   ILE  27           HB       ILE  27 -13.768   4.086   4.086
  185   1HG1  ILE  27          1HG1      ILE  27 -14.724   5.985   5.985
  186   2HG1  ILE  27          2HG1      ILE  27 -14.767   4.678   4.678
  187   1HG2  ILE  27          1HG2      ILE  27 -16.223   2.438   2.438
  188   2HG2  ILE  27          3HG2      ILE  27 -14.681   2.412   2.412
  189   3HG2  ILE  27          2HG2      ILE  27 -14.750   1.861   1.861
  190   1HD1  ILE  27          3HD1      ILE  27 -17.199   4.308   4.308
  191   2HD1  ILE  27          1HD1      ILE  27 -17.133   5.719   5.719
  192   3HD1  ILE  27          2HD1      ILE  27 -16.847   5.914   5.914
  193    H    VAL  28           H        VAL  28 -13.294   4.344   4.344
  194    HA   VAL  28           HA       VAL  28 -14.198   2.341   2.341
  195    HB   VAL  28           HB       VAL  28 -11.376   2.314   2.314
  196   1HG1  VAL  28          1HG1      VAL  28 -11.642   1.673   1.673
  197   2HG1  VAL  28          2HG1      VAL  28 -12.903   0.504   0.504
  198   3HG1  VAL  28          3HG1      VAL  28 -11.237   0.273   0.273
  199   1HG2  VAL  28          2HG2      VAL  28 -13.704   0.399   0.399
  200   2HG2  VAL  28          1HG2      VAL  28 -12.899   1.396   1.396
  201   3HG2  VAL  28          3HG2      VAL  28 -12.008   0.085   0.085
  202    H    LYS  29           HN       LYS  29 -14.555   3.716   3.716
  203    HA   LYS  29           HA       LYS  29 -12.921   6.042   6.042
  204   1HB   LYS  29          2HB       LYS  29 -15.370   5.889   5.889
  205   2HB   LYS  29          1HB       LYS  29 -15.160   4.698   4.698
  206   1HG   LYS  29          1HG       LYS  29 -13.942   6.380   6.380
  207   2HG   LYS  29          2HG       LYS  29 -14.042   7.539   7.539
  208   1HD   LYS  29          1HD       LYS  29 -16.522   7.518   7.518
  209   2HD   LYS  29          2HD       LYS  29 -16.435   6.290   6.290
  210   1HE   LYS  29          2HE       LYS  29 -16.820   8.507   8.507
  211   2HE   LYS  29          1HE       LYS  29 -15.249   7.873   7.873
  212   1HZ   LYS  29          3HZ       LYS  29 -15.657   9.777   9.777
  213   2HZ   LYS  29          1HZ       LYS  29 -15.183  10.187  10.187
  214   3HZ   LYS  29          2HZ       LYS  29 -14.208   9.257   9.257
  215    H    GLY  30           H        GLY  30 -11.083   4.383   4.383
  216   1HA   GLY  30          1HA       GLY  30 -10.555   2.884   2.884
  217   2HA   GLY  30          2HA       GLY  30  -9.613   2.857   2.857
  218    H    ALA  31           H        ALA  31  -8.107   3.142   3.142
  219    HA   ALA  31           HA       ALA  31  -7.910   5.862   5.862
  220   1HB   ALA  31          3HB       ALA  31  -7.278   3.840   3.840
  221   2HB   ALA  31          2HB       ALA  31  -5.935   3.574   3.574
  222   3HB   ALA  31          1HB       ALA  31  -5.959   5.020   5.020
  223    H    LYS  32           HN       LYS  32  -5.553   6.812   6.812
  224    HA   LYS  32           HA       LYS  32  -4.536   6.951   6.951
  225   1HB   LYS  32          1HB       LYS  32  -4.629   9.206   9.206
  226   2HB   LYS  32          2HB       LYS  32  -4.133   9.311   9.311
  227   1HG   LYS  32          1HG       LYS  32  -6.949   8.729   8.729
  228   2HG   LYS  32          2HG       LYS  32  -6.367  10.265  10.265
  229   1HD   LYS  32          1HD       LYS  32  -5.929   9.222   9.222
  230   2HD   LYS  32          2HD       LYS  32  -6.517   7.668   7.668
  231   1HE   LYS  32          1HE       LYS  32  -8.173  10.217  10.217
  232   2HE   LYS  32          2HE       LYS  32  -8.240   8.831   8.831
  233   1HZ   LYS  32          3HZ       LYS  32  -8.939   7.479   7.479
  234   2HZ   LYS  32          2HZ       LYS  32  -8.953   8.821   8.821
  235   3HZ   LYS  32          1HZ       LYS  32  -9.985   8.710   8.710
  236    H    THR  33           H        THR  33  -3.739   5.186   5.186
  237    HA   THR  33           HA       THR  33  -1.300   6.215   6.215
  238    HB   THR  33           HB       THR  33  -1.924   3.284   3.284
  239    HG1  THR  33           HG1      THR  33  -3.360   3.460   3.460
  240   1HG2  THR  33          2HG2      THR  33   0.138   3.979   3.979
  241   2HG2  THR  33          1HG2      THR  33  -0.852   4.899   4.899
  242   3HG2  THR  33          3HG2      THR  33  -0.996   3.130   3.130
  243    H    GLY  34           H        GLY  34  -2.312   4.386   4.386
  244   1HA   GLY  34          1HA       GLY  34   0.381   4.643   4.643
  245   2HA   GLY  34          2HA       GLY  34  -0.783   3.354   3.354
  246    HA   PRO  35           HA       PRO  35  -1.495   7.371   7.371
  247   1HB   PRO  35          1HB       PRO  35  -0.819   6.366   6.366
  248   2HB   PRO  35          2HB       PRO  35   0.302   7.178   7.178
  249   1HG   PRO  35          1HG       PRO  35  -0.184   4.208   4.208
  250   2HG   PRO  35          2HG       PRO  35   1.383   5.059   5.059
  251   1HD   PRO  35          1HD       PRO  35   0.637   3.983   3.983
  252   2HD   PRO  35          2HD       PRO  35   1.204   5.654   5.654
  253    H    ASN  36           H        ASN  36  -2.821   7.552   7.552
  254    HA   ASN  36           HA       ASN  36  -5.312   6.039   6.039
  255   1HB   ASN  36          2HB       ASN  36  -5.418   8.461   8.461
  256   2HB   ASN  36          1HB       ASN  36  -4.609   8.540   8.540
  257   1HD2  ASN  36          1HD2      ASN  36  -8.583   7.469   7.469
  258   2HD2  ASN  36          2HD2      ASN  36  -7.518   7.030   7.030
  259    H    LEU  37           H        LEU  37  -4.543   3.971   3.971
  260    HA   LEU  37           HA       LEU  37  -3.790   3.565   3.565
  261   1HB   LEU  37          1HB       LEU  37  -5.333   2.128   2.128
  262   2HB   LEU  37          2HB       LEU  37  -5.133   1.321   1.321
  263    HG   LEU  37           HG       LEU  37  -2.852   1.526   1.526
  264   1HD1  LEU  37          3HD2      LEU  37  -2.842   3.071   3.071
  265   2HD1  LEU  37          1HD2      LEU  37  -1.426   2.175   2.175
  266   3HD1  LEU  37          2HD2      LEU  37  -2.124   3.475   3.475
  267   1HD2  LEU  37          2HD1      LEU  37  -3.917   0.458   0.458
  268   2HD2  LEU  37          3HD1      LEU  37  -3.747  -0.445  -0.445
  269   3HD2  LEU  37          1HD1      LEU  37  -2.312   0.067   0.067
  270    H    TYR  38           H        TYR  38  -6.322   5.530   5.530
  271    HA   TYR  38           HA       TYR  38  -8.248   4.094   4.094
  272   1HB   TYR  38          1HB       TYR  38  -8.588   6.259   6.259
  273   2HB   TYR  38          2HB       TYR  38  -7.619   7.068   7.068
  274    HD1  TYR  38           HD1      TYR  38 -10.816   5.338   5.338
  275    HD2  TYR  38           HD2      TYR  38  -8.463   7.336   7.336
  276    HE1  TYR  38           HE1      TYR  38 -12.587   4.903   4.903
  277    HE2  TYR  38           HE2      TYR  38 -10.212   6.896   6.896
  278    HH   TYR  38           HH       TYR  38 -12.343   6.077   6.077
  279    H    GLY  39           H        GLY  39  -6.875   2.826   2.826
  280   1HA   GLY  39          1HA       GLY  39  -6.322   2.365   2.365
  281   2HA   GLY  39          2HA       GLY  39  -6.430   4.092   4.092
  282    H    VAL  40           H        VAL  40  -4.501   2.143   2.143
  283    HA   VAL  40           HA       VAL  40  -2.123   3.664   3.664
  284    HB   VAL  40           HB       VAL  40  -2.934   1.685   1.685
  285   1HG1  VAL  40          2HG2      VAL  40  -2.449  -0.143  -0.143
  286   2HG1  VAL  40          3HG2      VAL  40  -0.737   0.358   0.358
  287   3HG1  VAL  40          1HG2      VAL  40  -1.478  -0.256  -0.256
  288   1HG2  VAL  40          3HG1      VAL  40  -1.224   3.362   3.362
  289   2HG2  VAL  40          1HG1      VAL  40  -0.711   1.742   1.742
  290   3HG2  VAL  40          2HG1      VAL  40  -0.040   2.466   2.466
  291    H    VAL  41           H        VAL  41  -3.456   1.016   1.016
  292    HA   VAL  41           HA       VAL  41  -1.198   0.170   0.170
  293    HB   VAL  41           HB       VAL  41  -4.121   0.287   0.287
  294   1HG1  VAL  41          2HG1      VAL  41  -1.798  -1.166  -1.166
  295   2HG1  VAL  41          1HG1      VAL  41  -3.516  -1.464  -1.464
  296   3HG1  VAL  41          3HG1      VAL  41  -2.809   0.108   0.108
  297   1HG2  VAL  41          3HG2      VAL  41  -3.556  -1.157  -1.157
  298   2HG2  VAL  41          2HG2      VAL  41  -4.045  -2.127  -2.127
  299   3HG2  VAL  41          1HG2      VAL  41  -2.334  -1.984  -1.984
  300    H    GLY  42           H        GLY  42   0.148   1.206   1.206
  301   1HA   GLY  42          1HA       GLY  42   0.780   2.406   2.406
  302   2HA   GLY  42          2HA       GLY  42  -0.758   3.276   3.276
  303    H    ARG  43           HN       ARG  43  -0.130   3.607   3.607
  304    HA   ARG  43           HA       ARG  43   0.995   6.249   6.249
  305   1HB   ARG  43          1HB       ARG  43  -0.753   5.226   5.226
  306   2HB   ARG  43          2HB       ARG  43   0.745   5.274   5.274
  307   1HG   ARG  43          1HG       ARG  43  -0.488   7.335   7.335
  308   2HG   ARG  43          2HG       ARG  43   1.007   7.697   7.697
  309   1HD   ARG  43          2HD       ARG  43  -1.165   8.847   8.847
  310   2HD   ARG  43          1HD       ARG  43  -0.154   8.150   8.150
  311    HE   ARG  43           HE       ARG  43  -2.606   6.875   6.875
  312   1HH1  ARG  43          1HH1      ARG  43  -0.617   7.343   7.343
  313   2HH1  ARG  43          2HH1      ARG  43  -1.390   6.038   6.038
  314   1HH2  ARG  43          1HH2      ARG  43  -3.454   5.144   5.144
  315   2HH2  ARG  43          2HH2      ARG  43  -2.877   4.617   4.617
  316    H    THR  44           H        THR  44   3.055   6.984   6.984
  317    HA   THR  44           HA       THR  44   5.186   5.144   5.144
  318    HB   THR  44           HB       THR  44   5.217   8.066   8.066
  319    HG1  THR  44           HG1      THR  44   5.587   8.379   8.379
  320   1HG2  THR  44          1HG2      THR  44   7.336   6.229   6.229
  321   2HG2  THR  44          3HG2      THR  44   7.527   7.968   7.968
  322   3HG2  THR  44          2HG2      THR  44   7.323   6.856   6.856
  323    H    ALA  45           H        ALA  45   6.232   4.205   4.205
  324    HA   ALA  45           HA       ALA  45   4.818   4.140   4.140
  325   1HB   ALA  45          2HB       ALA  45   7.729   3.468   3.468
  326   2HB   ALA  45          1HB       ALA  45   6.914   3.144   3.144
  327   3HB   ALA  45          3HB       ALA  45   6.332   2.359   2.359
  328    H    GLY  46           H        GLY  46   4.974   5.268   5.268
  329   1HA   GLY  46          1HA       GLY  46   5.515   6.950   6.950
  330   2HA   GLY  46          2HA       GLY  46   7.041   7.152   7.152
  331    H    THR  47           H        THR  47   3.936   7.573   7.573
  332    HA   THR  47           HA       THR  47   4.276  10.549  10.549
  333    HB   THR  47           HB       THR  47   3.906  10.856  10.856
  334    HG1  THR  47           HG1      THR  47   3.754   8.030   8.030
  335   1HG2  THR  47          3HG2      THR  47   6.251  10.447  10.447
  336   2HG2  THR  47          2HG2      THR  47   6.083   8.748   8.748
  337   3HG2  THR  47          1HG2      THR  47   5.970  10.036  10.036
  338    H    TYR  48           H        TYR  48   1.967   8.140   8.140
  339    HA   TYR  48           HA       TYR  48  -0.264   9.472   9.472
  340   1HB   TYR  48          1HB       TYR  48  -0.094   7.074   7.074
  341   2HB   TYR  48          2HB       TYR  48  -0.625   7.908   7.908
  342    HD1  TYR  48           HD1      TYR  48  -2.728   9.499   9.499
  343    HD2  TYR  48           HD2      TYR  48  -1.734   6.267   6.267
  344    HE1  TYR  48           HE1      TYR  48  -4.926   9.741   9.741
  345    HE2  TYR  48           HE2      TYR  48  -3.939   6.490   6.490
  346    HH   TYR  48           HH       TYR  48  -6.003   7.551   7.551
  347    HA   PRO  49           HA       PRO  49   0.305  13.071  13.071
  348   1HB   PRO  49          1HB       PRO  49  -2.175  14.342  14.342
  349   2HB   PRO  49          2HB       PRO  49  -0.870  14.365  14.365
  350   1HG   PRO  49          1HG       PRO  49  -3.249  12.496  12.496
  351   2HG   PRO  49          2HG       PRO  49  -2.665  13.434  13.434
  352   1HD   PRO  49          1HD       PRO  49  -2.004  10.860  10.860
  353   2HD   PRO  49          2HD       PRO  49  -0.730  12.018  12.018
  354    H    GLU  50           HN       GLU  50  -0.409  14.207  14.207
  355    HA   GLU  50           HA       GLU  50  -0.888  14.328  14.328
  356   1HB   GLU  50          1HB       GLU  50  -3.339  12.654  12.654
  357   2HB   GLU  50          2HB       GLU  50  -3.101  13.622  13.622
  358   1HG   GLU  50          2HG       GLU  50  -2.952  15.686  15.686
  359   2HG   GLU  50          1HG       GLU  50  -3.239  14.724  14.724
  360    H    PHE  51           H        PHE  51   1.152  12.704  12.704
  361    HA   PHE  51           HA       PHE  51   0.801  11.074  11.074
  362   1HB   PHE  51          1HB       PHE  51  -0.087   9.571   9.571
  363   2HB   PHE  51          2HB       PHE  51   1.553   9.547   9.547
  364    HD1  PHE  51           HD2      PHE  51  -0.574   8.826   8.826
  365    HD2  PHE  51           HD1      PHE  51   3.334   8.344   8.344
  366    HE1  PHE  51           HE2      PHE  51   0.106   7.429   7.429
  367    HE2  PHE  51           HE1      PHE  51   4.000   6.898   6.898
  368    HZ   PHE  51           HZ       PHE  51   2.333   6.333   6.333
  369    H    LYS  52           HN       LYS  52   2.570  11.368  11.368
  370    HA   LYS  52           HA       LYS  52   5.057  12.290  12.290
  371   1HB   LYS  52          1HB       LYS  52   4.420  13.161  13.161
  372   2HB   LYS  52          2HB       LYS  52   4.260  11.543  11.543
  373   1HG   LYS  52          2HG       LYS  52   6.313  12.738  12.738
  374   2HG   LYS  52          1HG       LYS  52   6.625  11.178  11.178
  375   1HD   LYS  52          2HD       LYS  52   7.223  12.370  12.370
  376   2HD   LYS  52          1HD       LYS  52   6.920  13.913  13.913
  377   1HE   LYS  52          1HE       LYS  52   9.304  13.422  13.422
  378   2HE   LYS  52          2HE       LYS  52   8.750  13.338  13.338
  379   1HZ   LYS  52          2HZ       LYS  52   9.093  11.015  11.015
  380   2HZ   LYS  52          3HZ       LYS  52  10.198  11.514  11.514
  381   3HZ   LYS  52          1HZ       LYS  52   8.719  10.973  10.973
  382    H    TYR  53           H        TYR  53   5.536  10.593  10.593
  383    HA   TYR  53           HA       TYR  53   5.928   7.888   7.888
  384   1HB   TYR  53          1HB       TYR  53   7.143   9.521   9.521
  385   2HB   TYR  53          2HB       TYR  53   7.278   7.769   7.769
  386    HD1  TYR  53           HD1      TYR  53   5.201   6.331   6.331
  387    HD2  TYR  53           HD2      TYR  53   5.189  10.458  10.458
  388    HE1  TYR  53           HE1      TYR  53   3.122   5.949   5.949
  389    HE2  TYR  53           HE2      TYR  53   3.021  10.114  10.114
  390    HH   TYR  53           HH       TYR  53   1.234   8.678   8.678
  391    H    LYS  54           HN       LYS  54   8.015   6.703   6.703
  392    HA   LYS  54           HA       LYS  54  10.163   8.062   8.062
  393   1HB   LYS  54          1HB       LYS  54   9.882   5.102   5.102
  394   2HB   LYS  54          2HB       LYS  54  10.885   5.901   5.901
  395   1HG   LYS  54          2HG       LYS  54   7.850   5.720   5.720
  396   2HG   LYS  54          1HG       LYS  54   8.935   4.877   4.877
  397   1HD   LYS  54          1HD       LYS  54   9.586   6.978   6.978
  398   2HD   LYS  54          2HD       LYS  54   8.630   7.929   7.929
  399   1HE   LYS  54          2HE       LYS  54   7.446   5.879   5.879
  400   2HE   LYS  54          1HE       LYS  54   7.484   7.630   7.630
  401   1HZ   LYS  54          2HZ       LYS  54   6.181   7.919   7.919
  402   2HZ   LYS  54          1HZ       LYS  54   6.126   6.291   6.291
  403   3HZ   LYS  54          3HZ       LYS  54   5.408   6.949   6.949
  404    H    ASP  55           HN       ASP  55  12.331   7.719   7.719
  405    HA   ASP  55           HA       ASP  55  13.065   8.571   8.571
  406   1HB   ASP  55          2HB       ASP  55  14.532   8.689   8.689
  407   2HB   ASP  55          1HB       ASP  55  14.631   6.921   6.921
  408    H    SER  56           H        SER  56  12.787   5.121   5.121
  409    HA   SER  56           HA       SER  56  14.312   4.123   4.123
  410   1HB   SER  56          1HB       SER  56  12.225   2.659   2.659
  411   2HB   SER  56          2HB       SER  56  13.625   1.985   1.985
  412    HG   SER  56           HG       SER  56  14.891   3.424   3.424
  413    H    ILE  57           H        ILE  57  10.785   4.239   4.239
  414    HA   ILE  57           HA       ILE  57  10.096   3.115   3.115
  415    HB   ILE  57           HB       ILE  57   8.864   3.304   3.304
  416   1HG1  ILE  57          1HG1      ILE  57   7.225   3.529   3.529
  417   2HG1  ILE  57          2HG1      ILE  57   8.169   2.090   2.090
  418   1HG2  ILE  57          1HG2      ILE  57   8.580   5.740   5.740
  419   2HG2  ILE  57          2HG2      ILE  57   7.588   5.679   5.679
  420   3HG2  ILE  57          3HG2      ILE  57   7.030   4.920   4.920
  421   1HD1  ILE  57          1HD1      ILE  57   6.887   1.845   1.845
  422   2HD1  ILE  57          2HD1      ILE  57   5.815   3.163   3.163
  423   3HD1  ILE  57          3HD1      ILE  57   5.930   1.662   1.662
  424    H    VAL  58           H        VAL  58  10.496   6.483   6.483
  425    HA   VAL  58           HA       VAL  58   9.592   7.720   7.720
  426    HB   VAL  58           HB       VAL  58  11.642   8.574   8.574
  427   1HG1  VAL  58          3HG2      VAL  58  10.488  10.173  10.173
  428   2HG1  VAL  58          1HG2      VAL  58  11.365  10.870  10.870
  429   3HG1  VAL  58          2HG2      VAL  58  12.201   9.780   9.780
  430   1HG2  VAL  58          1HG1      VAL  58   9.243   8.378   8.378
  431   2HG2  VAL  58          3HG1      VAL  58   9.827  10.047  10.047
  432   3HG2  VAL  58          2HG1      VAL  58   8.784   9.496   9.496
  433    H    ALA  59           H        ALA  59  12.900   6.591   6.591
  434    HA   ALA  59           HA       ALA  59  14.146   7.234   7.234
  435   1HB   ALA  59          1HB       ALA  59  15.384   6.683   6.683
  436   2HB   ALA  59          2HB       ALA  59  14.798   5.010   5.010
  437   3HB   ALA  59          3HB       ALA  59  15.880   5.622   5.622
  438    H    LEU  60           H        LEU  60  12.513   4.210   4.210
  439    HA   LEU  60           HA       LEU  60  13.006   2.666   2.666
  440   1HB   LEU  60          1HB       LEU  60  11.738   2.158   2.158
  441   2HB   LEU  60          2HB       LEU  60  10.308   2.672   2.672
  442    HG   LEU  60           HG       LEU  60  11.895   0.153   0.153
  443   1HD1  LEU  60          1HD1      LEU  60   9.600   0.379   0.379
  444   2HD1  LEU  60          2HD1      LEU  60   8.999   0.819   0.819
  445   3HD1  LEU  60          3HD1      LEU  60   9.681  -0.795  -0.795
  446   1HD2  LEU  60          2HD2      LEU  60  10.686   1.284   1.284
  447   2HD2  LEU  60          3HD2      LEU  60  12.383   0.806   0.806
  448   3HD2  LEU  60          1HD2      LEU  60  11.109  -0.417  -0.417
  449    H    GLY  61           H        GLY  61  10.296   4.938   4.938
  450   1HA   GLY  61          1HA       GLY  61   8.948   4.870   4.870
  451   2HA   GLY  61          2HA       GLY  61   9.045   6.248   6.248
  452    H    ALA  62           H        ALA  62  11.468   7.140   7.140
  453    HA   ALA  62           HA       ALA  62  11.738   8.702   8.702
  454   1HB   ALA  62          3HB       ALA  62  12.687   9.247   9.247
  455   2HB   ALA  62          1HB       ALA  62  13.910   7.973   7.973
  456   3HB   ALA  62          2HB       ALA  62  13.888   9.381   9.381
  457    H    SER  63           H        SER  63  13.008   5.452   5.452
  458    HA   SER  63           HA       SER  63  14.875   5.469   5.469
  459   1HB   SER  63          1HB       SER  63  13.542   3.067   3.067
  460   2HB   SER  63          2HB       SER  63  15.046   3.108   3.108
  461    HG   SER  63           HG       SER  63  14.597   4.484   4.484
  462    H    GLY  64           H        GLY  64  11.578   5.858   5.858
  463   1HA   GLY  64          1HA       GLY  64  10.307   6.021   6.021
  464   2HA   GLY  64          2HA       GLY  64  11.454   5.015   5.015
  465    H    PHE  65           H        PHE  65   9.907   4.383   4.383
  466    HA   PHE  65           HA       PHE  65   8.959   1.775   1.775
  467   1HB   PHE  65          2HB       PHE  65  10.519   1.835   1.835
  468   2HB   PHE  65          1HB       PHE  65   9.306   2.680   2.680
  469    HD1  PHE  65           HD2      PHE  65  10.165  -0.533  -0.533
  470    HD2  PHE  65           HD1      PHE  65   7.326   1.518   1.518
  471    HE1  PHE  65           HE2      PHE  65   9.262  -2.714  -2.714
  472    HE2  PHE  65           HE1      PHE  65   6.525  -0.653  -0.653
  473    HZ   PHE  65           HZ       PHE  65   7.535  -2.766  -2.766
  474    H    ALA  66           H        ALA  66   6.971   1.933   1.933
  475    HA   ALA  66           HA       ALA  66   4.785   3.382   3.382
  476   1HB   ALA  66          3HB       ALA  66   4.899   2.019   2.019
  477   2HB   ALA  66          2HB       ALA  66   3.511   2.897   2.897
  478   3HB   ALA  66          1HB       ALA  66   5.011   3.769   3.769
  479    H    TRP  67           H        TRP  67   3.363   2.241   2.241
  480    HA   TRP  67           HA       TRP  67   3.848  -0.496  -0.496
  481   1HB   TRP  67          2HB       TRP  67   1.577   1.424   1.424
  482   2HB   TRP  67          1HB       TRP  67   1.458  -0.274  -0.274
  483    HD1  TRP  67           HD1      TRP  67   2.466   2.833   2.833
  484    HE1  TRP  67           HE1      TRP  67   3.899   2.419   2.419
  485    HE3  TRP  67           HE3      TRP  67   3.568  -2.123  -2.123
  486    HZ2  TRP  67           HZ2      TRP  67   5.371   0.291   0.291
  487    HZ3  TRP  67           HZ3      TRP  67   5.003  -3.307  -3.307
  488    HH2  TRP  67           HH2      TRP  67   5.978  -2.091  -2.091
  489    H    THR  68           H        THR  68   3.598  -2.128  -2.128
  490    HA   THR  68           HA       THR  68   1.276  -2.185  -2.185
  491    HB   THR  68           HB       THR  68   2.296  -4.189  -4.189
  492    HG1  THR  68           HG1      THR  68   4.575  -3.940  -3.940
  493   1HG2  THR  68          1HG2      THR  68   3.125  -2.032  -2.032
  494   2HG2  THR  68          2HG2      THR  68   4.437  -2.057  -2.057
  495   3HG2  THR  68          3HG2      THR  68   4.360  -3.311  -3.311
  496    H    GLU  69           HN       GLU  69  -0.054  -4.158  -4.158
  497    HA   GLU  69           HA       GLU  69  -1.128  -4.902  -4.902
  498   1HB   GLU  69          2HB       GLU  69  -2.239  -6.707  -6.707
  499   2HB   GLU  69          1HB       GLU  69  -2.220  -5.166  -5.166
  500   1HG   GLU  69          1HG       GLU  69  -0.296  -6.014  -6.014
  501   2HG   GLU  69          2HG       GLU  69  -0.485  -7.588  -7.588
  502    H    GLU  70           HN       GLU  70   1.420  -6.395  -6.395
  503    HA   GLU  70           HA       GLU  70   1.693  -8.762  -8.762
  504   1HB   GLU  70          1HB       GLU  70   3.714  -9.231  -9.231
  505   2HB   GLU  70          2HB       GLU  70   2.314  -8.866  -8.866
  506   1HG   GLU  70          1HG       GLU  70   3.189  -6.599  -6.599
  507   2HG   GLU  70          2HG       GLU  70   4.628  -6.964  -6.964
  508    H    ASP  71           HN       ASP  71   3.499  -5.659  -5.659
  509    HA   ASP  71           HA       ASP  71   5.399  -6.249  -6.249
  510   1HB   ASP  71          2HB       ASP  71   4.151  -3.658  -3.658
  511   2HB   ASP  71          1HB       ASP  71   5.318  -3.686  -3.686
  512    H    ILE  72           H        ILE  72   2.144  -4.653  -4.653
  513    HA   ILE  72           HA       ILE  72   2.240  -4.364  -4.364
  514    HB   ILE  72           HB       ILE  72  -0.169  -4.933  -4.933
  515   1HG1  ILE  72          1HG1      ILE  72   0.795  -2.223  -2.223
  516   2HG1  ILE  72          2HG1      ILE  72   1.344  -2.861  -2.861
  517   1HG2  ILE  72          3HG2      ILE  72   0.052  -3.709  -3.709
  518   2HG2  ILE  72          1HG2      ILE  72  -1.433  -3.755  -3.755
  519   3HG2  ILE  72          2HG2      ILE  72  -0.713  -5.257  -5.257
  520   1HD1  ILE  72          1HD1      ILE  72  -0.981  -3.183  -3.183
  521   2HD1  ILE  72          3HD1      ILE  72  -1.571  -2.357  -2.357
  522   3HD1  ILE  72          2HD1      ILE  72  -0.551  -1.494  -1.494
  523    H    ALA  73           H        ALA  73   0.783  -7.036  -7.036
  524    HA   ALA  73           HA       ALA  73  -0.048  -8.660  -8.660
  525   1HB   ALA  73          2HB       ALA  73  -0.678  -9.022  -9.022
  526   2HB   ALA  73          3HB       ALA  73   0.988  -9.510  -9.510
  527   3HB   ALA  73          1HB       ALA  73   0.001 -10.500 -10.500
  528    H    THR  74           H        THR  74   3.206  -8.406  -8.406
  529    HA   THR  74           HA       THR  74   4.287 -10.627 -10.627
  530    HB   THR  74           HB       THR  74   5.699  -8.328  -8.328
  531    HG1  THR  74           HG1      THR  74   4.431  -9.476  -9.476
  532   1HG2  THR  74          2HG2      THR  74   6.675 -11.098 -11.098
  533   2HG2  THR  74          3HG2      THR  74   7.597  -9.914  -9.914
  534   3HG2  THR  74          1HG2      THR  74   7.180  -9.563  -9.563
  535    H    TYR  75           H        TYR  75   4.824  -7.099  -7.099
  536    HA   TYR  75           HA       TYR  75   6.335  -6.697  -6.697
  537   1HB   TYR  75          1HB       TYR  75   5.601  -4.910  -4.910
  538   2HB   TYR  75          2HB       TYR  75   3.905  -5.194  -5.194
  539    HD1  TYR  75           HD1      TYR  75   7.038  -4.599  -4.599
  540    HD2  TYR  75           HD2      TYR  75   2.924  -3.541  -3.541
  541    HE1  TYR  75           HE1      TYR  75   7.240  -2.719  -2.719
  542    HE2  TYR  75           HE2      TYR  75   3.122  -1.715  -1.715
  543    HH   TYR  75           HH       TYR  75   4.524  -0.521  -0.521
  544    H    VAL  76           H        VAL  76   2.743  -7.000  -7.000
  545    HA   VAL  76           HA       VAL  76   2.590  -6.494  -6.494
  546    HB   VAL  76           HB       VAL  76   0.571  -7.922  -7.922
  547   1HG1  VAL  76          1HG1      VAL  76   0.462  -5.508  -5.508
  548   2HG1  VAL  76          2HG1      VAL  76   0.784  -5.839  -5.839
  549   3HG1  VAL  76          3HG1      VAL  76  -0.723  -6.398  -6.398
  550   1HG2  VAL  76          1HG2      VAL  76   1.161  -9.601  -9.601
  551   2HG2  VAL  76          3HG2      VAL  76  -0.361  -8.795  -8.795
  552   3HG2  VAL  76          2HG2      VAL  76   1.113  -8.367  -8.367
  553    H    LYS  77           HN       LYS  77   3.649  -9.496  -9.496
  554    HA   LYS  77           HA       LYS  77   3.605 -11.069 -11.069
  555   1HB   LYS  77          2HB       LYS  77   5.155 -11.474 -11.474
  556   2HB   LYS  77          1HB       LYS  77   4.963 -12.657 -12.657
  557   1HG   LYS  77          1HG       LYS  77   2.506 -12.632 -12.632
  558   2HG   LYS  77          2HG       LYS  77   2.684 -11.545 -11.545
  559   1HD   LYS  77          1HD       LYS  77   4.052 -14.276 -14.276
  560   2HD   LYS  77          2HD       LYS  77   2.464 -14.026 -14.026
  561   1HE   LYS  77          1HE       LYS  77   3.437 -12.397 -12.397
  562   2HE   LYS  77          2HE       LYS  77   5.052 -12.699 -12.699
  563   1HZ   LYS  77          3HZ       LYS  77   3.329 -14.694 -14.694
  564   2HZ   LYS  77          1HZ       LYS  77   4.659 -13.981 -13.981
  565   3HZ   LYS  77          2HZ       LYS  77   4.823 -14.983 -14.983
  566    H    ASP  78           HN       ASP  78   5.961  -8.873  -8.873
  567    HA   ASP  78           HA       ASP  78   7.911  -9.493  -9.493
  568   1HB   ASP  78          2HB       ASP  78   9.692  -9.657  -9.657
  569   2HB   ASP  78          1HB       ASP  78   8.485 -10.892 -10.892
  570    HA   PRO  79           HA       PRO  79   7.688  -4.914  -4.914
  571   1HB   PRO  79          1HB       PRO  79   6.901  -4.861  -4.861
  572   2HB   PRO  79          2HB       PRO  79   6.441  -3.718  -3.718
  573   1HG   PRO  79          2HG       PRO  79   4.672  -5.607  -5.607
  574   2HG   PRO  79          1HG       PRO  79   4.998  -5.362  -5.362
  575   1HD   PRO  79          2HD       PRO  79   6.257  -7.435  -7.435
  576   2HD   PRO  79          1HD       PRO  79   5.391  -7.668  -7.668
  577    H    GLY  80           H        GLY  80   9.471  -3.660  -3.660
  578   1HA   GLY  80          1HA       GLY  80  11.425  -2.925  -2.925
  579   2HA   GLY  80          2HA       GLY  80  11.330  -4.282  -4.282
  580    H    ALA  81           H        ALA  81  11.364  -6.503  -6.503
  581    HA   ALA  81           HA       ALA  81  13.941  -6.835  -6.835
  582   1HB   ALA  81          2HB       ALA  81  11.491  -8.620  -8.620
  583   2HB   ALA  81          3HB       ALA  81  13.134  -9.106  -9.106
  584   3HB   ALA  81          1HB       ALA  81  12.782  -8.668  -8.668
  585    H    PHE  82           H        PHE  82  10.679  -6.631  -6.631
  586    HA   PHE  82           HA       PHE  82  11.263  -6.832  -6.832
  587   1HB   PHE  82          1HB       PHE  82   9.025  -6.598  -6.598
  588   2HB   PHE  82          2HB       PHE  82   9.331  -4.897  -4.897
  589    HD1  PHE  82           HD1      PHE  82   8.802  -7.548  -7.548
  590    HD2  PHE  82           HD2      PHE  82   8.995  -3.297  -3.297
  591    HE1  PHE  82           HE1      PHE  82   7.661  -7.117  -7.117
  592    HE2  PHE  82           HE2      PHE  82   7.798  -2.881  -2.881
  593    HZ   PHE  82           HZ       PHE  82   7.073  -4.816  -4.816
  594    H    LEU  83           H        LEU  83  11.289  -3.812  -3.812
  595    HA   LEU  83           HA       LEU  83  12.150  -2.074  -2.074
  596   1HB   LEU  83          1HB       LEU  83  12.469  -1.842  -1.842
  597   2HB   LEU  83          2HB       LEU  83  12.943  -0.640  -0.640
  598    HG   LEU  83           HG       LEU  83  10.406  -0.971  -0.971
  599   1HD1  LEU  83          1HD2      LEU  83  10.281  -1.458  -1.458
  600   2HD1  LEU  83          2HD2      LEU  83   8.907  -1.072  -1.072
  601   3HD1  LEU  83          3HD2      LEU  83   9.776  -2.600  -2.600
  602   1HD2  LEU  83          2HD1      LEU  83  11.311   0.742   0.742
  603   2HD2  LEU  83          3HD1      LEU  83  11.477   1.166   1.166
  604   3HD2  LEU  83          1HD1      LEU  83   9.868   1.042   1.042
  605    H    LYS  84           HN       LYS  84  13.974  -3.680  -3.680
  606    HA   LYS  84           HA       LYS  84  16.557  -2.834  -2.834
  607   1HB   LYS  84          2HB       LYS  84  15.608  -5.520  -5.520
  608   2HB   LYS  84          1HB       LYS  84  17.313  -5.056  -5.056
  609   1HG   LYS  84          1HG       LYS  84  17.061  -3.243  -3.243
  610   2HG   LYS  84          2HG       LYS  84  15.296  -3.340  -3.340
  611   1HD   LYS  84          1HD       LYS  84  16.131  -4.156  -4.156
  612   2HD   LYS  84          2HD       LYS  84  15.268  -5.421  -5.421
  613   1HE   LYS  84          2HE       LYS  84  18.313  -5.153  -5.153
  614   2HE   LYS  84          1HE       LYS  84  17.505  -6.009  -6.009
  615   1HZ   LYS  84          3HZ       LYS  84  16.515  -7.473  -7.473
  616   2HZ   LYS  84          2HZ       LYS  84  17.260  -6.715  -6.715
  617   3HZ   LYS  84          1HZ       LYS  84  18.157  -7.506  -7.506
  618    H    GLU  85           HN       GLU  85  14.802  -5.647  -5.647
  619    HA   GLU  85           HA       GLU  85  16.827  -6.431  -6.431
  620   1HB   GLU  85          1HB       GLU  85  14.916  -7.848  -7.848
  621   2HB   GLU  85          2HB       GLU  85  13.800  -6.791  -6.791
  622   1HG   GLU  85          1HG       GLU  85  15.087  -7.327  -7.327
  623   2HG   GLU  85          2HG       GLU  85  16.008  -8.512  -8.512
  624    H    LYS  86           HN       LYS  86  13.735  -4.655  -4.655
  625    HA   LYS  86           HA       LYS  86  14.356  -4.176  -4.176
  626   1HB   LYS  86          1HB       LYS  86  12.644  -2.615  -2.615
  627   2HB   LYS  86          2HB       LYS  86  12.555  -2.437  -2.437
  628   1HG   LYS  86          2HG       LYS  86  12.139  -5.148  -5.148
  629   2HG   LYS  86          1HG       LYS  86  10.861  -3.980  -3.980
  630   1HD   LYS  86          1HD       LYS  86  11.375  -3.995  -3.995
  631   2HD   LYS  86          2HD       LYS  86  12.517  -5.311  -5.311
  632   1HE   LYS  86          2HE       LYS  86   9.507  -5.337  -5.337
  633   2HE   LYS  86          1HE       LYS  86  10.402  -6.236  -6.236
  634   1HZ   LYS  86          2HZ       LYS  86  11.513  -7.416  -7.416
  635   2HZ   LYS  86          3HZ       LYS  86  10.562  -6.620  -6.620
  636   3HZ   LYS  86          1HZ       LYS  86   9.880  -7.640  -7.640
  637    H    LEU  87           H        LEU  87  15.105  -2.117  -2.117
  638    HA   LEU  87           HA       LEU  87  16.263  -0.038  -0.038
  639   1HB   LEU  87          1HB       LEU  87  14.863   0.419   0.419
  640   2HB   LEU  87          2HB       LEU  87  16.121  -0.326  -0.326
  641    HG   LEU  87           HG       LEU  87  17.691   1.473   1.473
  642   1HD1  LEU  87          2HD2      LEU  87  15.403   2.606   2.606
  643   2HD1  LEU  87          1HD2      LEU  87  16.869   3.495   3.495
  644   3HD1  LEU  87          3HD2      LEU  87  16.994   2.087   2.087
  645   1HD2  LEU  87          1HD1      LEU  87  16.159   1.698   1.698
  646   2HD2  LEU  87          2HD1      LEU  87  16.545   3.266   3.266
  647   3HD2  LEU  87          3HD1      LEU  87  14.968   2.507   2.507
  648    H    ASP  88           HN       ASP  88  17.377  -3.008  -3.008
  649    HA   ASP  88           HA       ASP  88  19.352  -3.930  -3.930
  650   1HB   ASP  88          1HB       ASP  88  19.660  -3.445  -3.445
  651   2HB   ASP  88          2HB       ASP  88  20.333  -1.855  -1.855
  652    H    ASP  89           HN       ASP  89  18.747  -2.708  -2.708
  653    HA   ASP  89           HA       ASP  89  21.127  -1.226  -1.226
  654   1HB   ASP  89          2HB       ASP  89  19.622   0.529   0.529
  655   2HB   ASP  89          1HB       ASP  89  18.282  -0.159  -0.159
  656    H    LYS  90           HN       LYS  90  21.129  -1.031  -1.031
  657    HA   LYS  90           HA       LYS  90  20.077  -3.434  -3.434
  658   1HB   LYS  90          1HB       LYS  90  22.655  -2.331  -2.331
  659   2HB   LYS  90          2HB       LYS  90  22.105  -1.620  -1.620
  660   1HG   LYS  90          1HG       LYS  90  23.201  -3.597  -3.597
  661   2HG   LYS  90          2HG       LYS  90  21.477  -3.977  -3.977
  662   1HD   LYS  90          1HD       LYS  90  21.596  -5.064  -5.064
  663   2HD   LYS  90          2HD       LYS  90  23.332  -4.744  -4.744
  664   1HE   LYS  90          1HE       LYS  90  21.849  -6.471  -6.471
  665   2HE   LYS  90          2HE       LYS  90  22.797  -7.071  -7.071
  666   1HZ   LYS  90          3HZ       LYS  90  24.728  -6.033  -6.033
  667   2HZ   LYS  90          1HZ       LYS  90  23.850  -5.512  -5.512
  668   3HZ   LYS  90          2HZ       LYS  90  24.060  -7.124  -7.124
  669    H    LYS  91           HN       LYS  91  20.668   0.047   0.047
  670    HA   LYS  91           HA       LYS  91  19.182   0.540   0.540
  671   1HB   LYS  91          2HB       LYS  91  21.243   1.766   1.766
  672   2HB   LYS  91          1HB       LYS  91  20.113   2.511   2.511
  673   1HG   LYS  91          2HG       LYS  91  18.832   3.192   3.192
  674   2HG   LYS  91          1HG       LYS  91  20.378   2.793   2.793
  675   1HD   LYS  91          2HD       LYS  91  20.350   5.152   5.152
  676   2HD   LYS  91          1HD       LYS  91  21.511   4.405   4.405
  677   1HE   LYS  91          1HE       LYS  91  20.064   6.203   6.203
  678   2HE   LYS  91          2HE       LYS  91  19.986   4.666   4.666
  679   1HZ   LYS  91          3HZ       LYS  91  18.004   5.572   5.572
  680   2HZ   LYS  91          1HZ       LYS  91  17.830   5.682   5.682
  681   3HZ   LYS  91          2HZ       LYS  91  17.931   4.201   4.201
  682    H    ALA  92           H        ALA  92  17.435  -0.801  -0.801
  683    HA   ALA  92           HA       ALA  92  15.534   1.325   1.325
  684   1HB   ALA  92          3HB       ALA  92  16.080  -1.341  -1.341
  685   2HB   ALA  92          1HB       ALA  92  14.752  -0.250  -0.250
  686   3HB   ALA  92          2HB       ALA  92  16.433   0.261   0.261
  687    H    LYS  93           HN       LYS  93  13.798   1.386   1.386
  688    HA   LYS  93           HA       LYS  93  12.458  -1.100  -1.100
  689   1HB   LYS  93          2HB       LYS  93  12.385  -0.411  -0.411
  690   2HB   LYS  93          1HB       LYS  93  13.992  -0.902  -0.902
  691   1HG   LYS  93          1HG       LYS  93  14.684   1.462   1.462
  692   2HG   LYS  93          2HG       LYS  93  13.066   1.996   1.996
  693   1HD   LYS  93          2HD       LYS  93  13.349   0.839   0.839
  694   2HD   LYS  93          1HD       LYS  93  14.966   0.298   0.298
  695   1HE   LYS  93          2HE       LYS  93  15.689   2.674   2.674
  696   2HE   LYS  93          1HE       LYS  93  14.074   3.210   3.210
  697   1HZ   LYS  93          1HZ       LYS  93  14.425   2.103   2.103
  698   2HZ   LYS  93          3HZ       LYS  93  15.926   1.608   1.608
  699   3HZ   LYS  93          2HZ       LYS  93  15.610   3.213   3.213
  700    H    THR  94           H        THR  94  10.170  -0.709  -0.709
  701    HA   THR  94           HA       THR  94   9.296   2.004   2.004
  702    HB   THR  94           HB       THR  94   8.684   0.366   0.366
  703    HG1  THR  94           HG1      THR  94   7.114   1.863   1.863
  704   1HG2  THR  94          1HG2      THR  94   7.481  -1.289  -1.289
  705   2HG2  THR  94          2HG2      THR  94   7.248  -1.569  -1.569
  706   3HG2  THR  94          3HG2      THR  94   8.855  -1.757  -1.757
  707    H    GLY  95           H        GLY  95   7.449   2.785   2.785
  708   1HA   GLY  95          1HA       GLY  95   7.481   2.451   2.451
  709   2HA   GLY  95          2HA       GLY  95   6.194   3.214   3.214
  710    H    MET  96           H        MET  96   5.836   0.627   0.627
  711    HA   MET  96           HA       MET  96   3.746  -0.418  -0.418
  712   1HB   MET  96          2HB       MET  96   4.036  -0.424  -0.424
  713   2HB   MET  96          1HB       MET  96   5.084  -1.813  -1.813
  714   1HG   MET  96          1HG       MET  96   3.449  -3.235  -3.235
  715   2HG   MET  96          2HG       MET  96   2.461  -1.948  -1.948
  716   1HE   MET  96          1HE       MET  96   3.714  -2.834  -2.834
  717   2HE   MET  96          2HE       MET  96   2.952  -4.333  -4.333
  718   3HE   MET  96          3HE       MET  96   2.164  -3.402  -3.402
  719    H    ALA  97           H        ALA  97   4.825  -0.864  -0.864
  720    HA   ALA  97           HA       ALA  97   6.339  -3.333  -3.333
  721   1HB   ALA  97          3HB       ALA  97   6.527  -1.473  -1.473
  722   2HB   ALA  97          1HB       ALA  97   4.818  -1.667  -1.667
  723   3HB   ALA  97          2HB       ALA  97   5.985  -2.959  -2.959
  724    H    PHE  98           H        PHE  98   4.483  -4.212  -4.212
  725    HA   PHE  98           HA       PHE  98   2.842  -6.102  -6.102
  726   1HB   PHE  98          2HB       PHE  98   1.243  -4.347  -4.347
  727   2HB   PHE  98          1HB       PHE  98   1.745  -3.688  -3.688
  728    HD1  PHE  98           HD1      PHE  98  -0.272  -6.388  -6.388
  729    HD2  PHE  98           HD2      PHE  98   1.003  -4.561  -4.561
  730    HE1  PHE  98           HE1      PHE  98  -1.989  -7.671  -7.671
  731    HE2  PHE  98           HE2      PHE  98  -0.657  -5.881  -5.881
  732    HZ   PHE  98           HZ       PHE  98  -2.234  -7.386  -7.386
  733    H    LYS  99           HN       LYS  99   2.148  -7.753  -7.753
  734    HA   LYS  99           HA       LYS  99   2.970  -7.502  -7.502
  735   1HB   LYS  99          2HB       LYS  99   3.967  -9.992  -9.992
  736   2HB   LYS  99          1HB       LYS  99   4.440  -9.292  -9.292
  737   1HG   LYS  99          1HG       LYS  99   5.534  -7.405  -7.405
  738   2HG   LYS  99          2HG       LYS  99   5.231  -8.384  -8.384
  739   1HD   LYS  99          2HD       LYS  99   6.525 -10.254 -10.254
  740   2HD   LYS  99          1HD       LYS  99   6.824  -9.360  -9.360
  741   1HE   LYS  99          2HE       LYS  99   7.771  -8.553  -8.553
  742   2HE   LYS  99          1HE       LYS  99   8.772  -9.280  -9.280
  743   1HZ   LYS  99          2HZ       LYS  99   7.444  -6.666  -6.666
  744   2HZ   LYS  99          3HZ       LYS  99   9.039  -6.920  -6.920
  745   3HZ   LYS  99          1HZ       LYS  99   8.414  -7.336  -7.336
  746    H    LEU 100           H        LEU 100   1.969  -9.298  -9.298
  747    HA   LEU 100           HA       LEU 100  -0.153 -10.803 -10.803
  748   1HB   LEU 100          2HB       LEU 100  -1.250  -8.861  -8.861
  749   2HB   LEU 100          1HB       LEU 100  -0.449  -9.212  -9.212
  750    HG   LEU 100           HG       LEU 100  -1.660 -11.378 -11.378
  751   1HD1  LEU 100          1HD2      LEU 100  -3.065 -10.404 -10.404
  752   2HD1  LEU 100          3HD2      LEU 100  -3.619 -11.749 -11.749
  753   3HD1  LEU 100          2HD2      LEU 100  -2.086 -11.880 -11.880
  754   1HD2  LEU 100          3HD1      LEU 100  -2.541  -9.288  -9.288
  755   2HD2  LEU 100          1HD1      LEU 100  -3.810 -10.440 -10.440
  756   3HD2  LEU 100          2HD1      LEU 100  -3.521  -9.017  -9.017
  757    H    ALA 101           H        ALA 101   0.389 -12.886 -12.886
  758    HA   ALA 101           HA       ALA 101   2.273 -13.694 -13.694
  759   1HB   ALA 101          1HB       ALA 101   2.333 -14.581 -14.581
  760   2HB   ALA 101          3HB       ALA 101   0.727 -15.312 -15.312
  761   3HB   ALA 101          2HB       ALA 101   2.112 -15.875 -15.875
  762    H    LYS 102           HN       LYS 102   0.279 -12.668 -12.668
  763    HA   LYS 102           HA       LYS 102  -0.859 -15.000 -15.000
  764   1HB   LYS 102          2HB       LYS 102  -2.389 -12.443 -12.443
  765   2HB   LYS 102          1HB       LYS 102  -2.876 -13.725 -13.725
  766   1HG   LYS 102          1HG       LYS 102  -2.945 -15.355 -15.355
  767   2HG   LYS 102          2HG       LYS 102  -2.462 -14.080 -14.080
  768   1HD   LYS 102          1HD       LYS 102  -4.859 -14.444 -14.444
  769   2HD   LYS 102          2HD       LYS 102  -4.523 -12.817 -12.817
  770   1HE   LYS 102          1HE       LYS 102  -5.111 -13.449 -13.449
  771   2HE   LYS 102          2HE       LYS 102  -5.185 -15.169 -15.169
  772   1HZ   LYS 102          3HZ       LYS 102  -6.970 -13.068 -13.068
  773   2HZ   LYS 102          1HZ       LYS 102  -7.336 -14.153 -14.153
  774   3HZ   LYS 102          2HZ       LYS 102  -7.050 -14.673 -14.673
  775    H    GLY 103           H        GLY 103  -0.505 -14.898 -14.898
  776   1HA   GLY 103          1HA       GLY 103   1.013 -12.618 -12.618
  777   2HA   GLY 103          2HA       GLY 103   0.551 -14.123 -14.123
  778    H    GLY 104           H        GLY 104  -1.027 -11.545 -11.545
  779   1HA   GLY 104          1HA       GLY 104  -3.581 -11.592 -11.592
  780   2HA   GLY 104          2HA       GLY 104  -2.740 -10.098 -10.098
  781    H    GLU 105           HN       GLU 105  -3.046 -12.227 -12.227
  782    HA   GLU 105           HA       GLU 105  -3.105 -10.169 -10.169
  783   1HB   GLU 105          2HB       GLU 105  -4.188 -11.914 -11.914
  784   2HB   GLU 105          1HB       GLU 105  -2.644 -12.372 -12.372
  785   1HG   GLU 105          2HG       GLU 105  -3.739 -13.809 -13.809
  786   2HG   GLU 105          1HG       GLU 105  -5.339 -13.224 -13.224
  787    H    ASP 106           HN       ASP 106  -5.589 -11.504 -11.504
  788    HA   ASP 106           HA       ASP 106  -7.921 -10.429 -10.429
  789   1HB   ASP 106          2HB       ASP 106  -9.001 -10.958 -10.958
  790   2HB   ASP 106          1HB       ASP 106  -8.023 -12.312 -12.312
  791    H    VAL 107           H        VAL 107  -5.918  -9.384  -9.384
  792    HA   VAL 107           HA       VAL 107  -7.186  -6.867  -6.867
  793    HB   VAL 107           HB       VAL 107  -4.360  -7.840  -7.840
  794   1HG1  VAL 107          2HG2      VAL 107  -5.780  -5.314  -5.314
  795   2HG1  VAL 107          1HG2      VAL 107  -4.293  -5.987  -5.987
  796   3HG1  VAL 107          3HG2      VAL 107  -4.283  -5.402  -5.402
  797   1HG2  VAL 107          2HG1      VAL 107  -6.214  -9.054  -9.054
  798   2HG2  VAL 107          3HG1      VAL 107  -5.244  -8.092  -8.092
  799   3HG2  VAL 107          1HG1      VAL 107  -6.830  -7.497  -7.497
  800    H    ALA 108           H        ALA 108  -4.317  -7.745  -7.745
  801    HA   ALA 108           HA       ALA 108  -3.797  -5.139  -5.139
  802   1HB   ALA 108          1HB       ALA 108  -2.273  -7.062  -7.062
  803   2HB   ALA 108          3HB       ALA 108  -3.406  -7.796  -7.796
  804   3HB   ALA 108          2HB       ALA 108  -2.622  -6.254  -6.254
  805    H    ALA 109           H        ALA 109  -5.950  -7.667  -7.667
  806    HA   ALA 109           HA       ALA 109  -6.832  -6.111  -6.111
  807   1HB   ALA 109          3HB       ALA 109  -8.242  -8.341  -8.341
  808   2HB   ALA 109          2HB       ALA 109  -8.752  -7.678  -7.678
  809   3HB   ALA 109          1HB       ALA 109  -7.183  -8.489  -8.489
  810    H    TYR 110           H        TYR 110  -8.082  -6.360  -6.360
  811    HA   TYR 110           HA       TYR 110 -10.341  -4.682  -4.682
  812   1HB   TYR 110          2HB       TYR 110 -10.137  -5.961  -5.961
  813   2HB   TYR 110          1HB       TYR 110  -8.598  -5.235  -5.235
  814    HD1  TYR 110           HD1      TYR 110 -12.057  -3.973  -3.973
  815    HD2  TYR 110           HD2      TYR 110  -8.683  -3.787  -3.787
  816    HE1  TYR 110           HE1      TYR 110 -13.182  -2.191  -2.191
  817    HE2  TYR 110           HE2      TYR 110  -9.829  -2.048  -2.048
  818    HH   TYR 110           HH       TYR 110 -11.706  -0.734  -0.734
  819    H    LEU 111           H        LEU 111  -6.970  -3.815  -3.815
  820    HA   LEU 111           HA       LEU 111  -7.393  -1.053  -1.053
  821   1HB   LEU 111          2HB       LEU 111  -4.957  -2.823  -2.823
  822   2HB   LEU 111          1HB       LEU 111  -4.868  -1.086  -1.086
  823    HG   LEU 111           HG       LEU 111  -6.199  -2.904  -2.904
  824   1HD1  LEU 111          2HD2      LEU 111  -3.825  -3.521  -3.521
  825   2HD1  LEU 111          3HD2      LEU 111  -3.353  -1.828  -1.828
  826   3HD1  LEU 111          1HD2      LEU 111  -4.126  -2.754  -2.754
  827   1HD2  LEU 111          2HD1      LEU 111  -5.174  -0.036  -0.036
  828   2HD2  LEU 111          3HD1      LEU 111  -6.875  -0.541  -0.541
  829   3HD2  LEU 111          1HD1      LEU 111  -5.772  -0.979  -0.979
  830    H    ALA 112           H        ALA 112  -6.580  -3.188  -3.188
  831    HA   ALA 112           HA       ALA 112  -6.081  -1.051  -1.051
  832   1HB   ALA 112          2HB       ALA 112  -5.460  -3.422  -3.422
  833   2HB   ALA 112          1HB       ALA 112  -7.177  -3.828  -3.828
  834   3HB   ALA 112          3HB       ALA 112  -6.412  -2.703  -2.703
  835    H    SER 113           H        SER 113  -9.086  -2.972  -2.972
  836    HA   SER 113           HA       SER 113 -10.716  -1.506  -1.506
  837   1HB   SER 113          2HB       SER 113 -12.617  -2.494  -2.494
  838   2HB   SER 113          1HB       SER 113 -11.335  -3.690  -3.690
  839    HG   SER 113           HG       SER 113 -10.693  -2.978  -2.978
  840    H    VAL 114           H        VAL 114  -9.837  -0.782  -0.782
  841    HA   VAL 114           HA       VAL 114 -11.660   1.325   1.325
  842    HB   VAL 114           HB       VAL 114  -8.849   0.755   0.755
  843   1HG1  VAL 114          3HG1      VAL 114 -10.776   2.780   2.780
  844   2HG1  VAL 114          2HG1      VAL 114  -9.245   2.228   2.228
  845   3HG1  VAL 114          1HG1      VAL 114  -9.229   3.159   3.159
  846   1HG2  VAL 114          3HG2      VAL 114 -10.852  -0.821  -0.821
  847   2HG2  VAL 114          2HG2      VAL 114  -9.909  -0.173  -0.173
  848   3HG2  VAL 114          1HG2      VAL 114 -11.480   0.533   0.533
  849    H    VAL 115           H        VAL 115  -8.829   1.295   1.295
  850    HA   VAL 115           HA       VAL 115  -8.480   4.171   4.171
  851    HB   VAL 115           HB       VAL 115  -7.760   2.126   2.126
  852   1HG1  VAL 115          3HG1      VAL 115  -6.753   4.952   4.952
  853   2HG1  VAL 115          2HG1      VAL 115  -6.080   3.860   3.860
  854   3HG1  VAL 115          1HG1      VAL 115  -7.729   4.470   4.470
  855   1HG2  VAL 115          1HG2      VAL 115  -6.633   1.611   1.611
  856   2HG2  VAL 115          3HG2      VAL 115  -5.533   2.049   2.049
  857   3HG2  VAL 115          2HG2      VAL 115  -5.916   3.238   3.238
  858    H    LYS 116           HN       LYS 116 -10.714   4.871   4.871
  859    HA   LYS 116           HA       LYS 116 -11.648   5.361   5.361
  860   1HB   LYS 116          1HB       LYS 116 -13.905   4.471   4.471
  861   2HB   LYS 116          2HB       LYS 116 -12.704   3.173   3.173
  862   1HG   LYS 116          1HG       LYS 116 -12.713   3.278   3.278
  863   2HG   LYS 116          2HG       LYS 116 -13.966   4.528   4.528
  864   1HD   LYS 116          2HD       LYS 116 -15.466   2.925   2.925
  865   2HD   LYS 116          1HD       LYS 116 -14.185   1.689   1.689
  866   1HE   LYS 116          1HE       LYS 116 -14.204   1.782   1.782
  867   2HE   LYS 116          2HE       LYS 116 -15.479   3.016   3.016
  868   1HZ   LYS 116          3HZ       LYS 116 -15.707   0.273   0.273
  869   2HZ   LYS 116          2HZ       LYS 116 -16.359   0.838   0.838
  870   3HZ   LYS 116          1HZ       LYS 116 -16.895   1.416   1.416
  871    HHA  HEC 117           HHA      HEM 117   3.019   2.527   2.527
  872    HHB  HEC 117           HHB      HEM 117  -0.778  -1.973  -1.973
  873    HHC  HEC 117           HHC      HEM 117  -2.384  -3.756  -3.756
  874    HHD  HEC 117           HHD      HEM 117   1.409   0.845   0.845
  875   1HMA  HEC 117          1HMA      HEM 117   1.373  -1.479  -1.479
  876   2HMA  HEC 117          2HMA      HEM 117  -0.091  -0.468  -0.468
  877   3HMA  HEC 117          3HMA      HEM 117   1.490   0.218   0.218
  878   1HAA  HEC 117          1HAA      HEM 117   3.670   2.144   2.144
  879   2HAA  HEC 117          2HAA      HEM 117   3.317   1.233   1.233
  880   1HBA  HEC 117          1HBA      HEM 117   1.435   2.700   2.700
  881   2HBA  HEC 117          2HBA      HEM 117   1.610   3.546   3.546
  882   1HMB  HEC 117          1HMB      HEM 117  -3.717  -4.226  -4.226
  883   2HMB  HEC 117          2HMB      HEM 117  -2.075  -4.444  -4.444
  884   3HMB  HEC 117          3HMB      HEM 117  -2.906  -2.879  -2.879
  885    HAB  HEC 117           HAB      HEM 117  -3.466  -4.995  -4.995
  886   1HBB  HEC 117          1HBB      HEM 117  -3.876  -6.942  -6.942
  887   2HBB  HEC 117          2HBB      HEM 117  -3.199  -6.179  -6.179
  888   3HBB  HEC 117          3HBB      HEM 117  -2.144  -6.544  -6.544
  889   1HMC  HEC 117          1HMC      HEM 117  -3.335  -2.952  -2.952
  890   2HMC  HEC 117          2HMC      HEM 117  -2.631  -2.568  -2.568
  891   3HMC  HEC 117          3HMC      HEM 117  -2.030  -3.968  -3.968
  892    HAC  HEC 117           HAC      HEM 117   0.134   0.229   0.229
  893   1HBC  HEC 117          1HBC      HEM 117  -0.877  -2.456  -2.456
  894   2HBC  HEC 117          2HBC      HEM 117   0.821  -1.976  -1.976
  895   3HBC  HEC 117          3HBC      HEM 117  -0.222  -1.132  -1.132
  896   1HMD  HEC 117          1HMD      HEM 117   3.716   3.669   3.669
  897   2HMD  HEC 117          2HMD      HEM 117   3.261   2.185   2.185
  898   3HMD  HEC 117          3HMD      HEM 117   2.050   3.452   3.452
  899   1HAD  HEC 117          1HAD      HEM 117   3.394   4.328   4.328
  900   2HAD  HEC 117          2HAD      HEM 117   3.890   4.494   4.494
  901   1HBD  HEC 117          1HBD      HEM 117   5.113   2.661   2.661
  902   2HBD  HEC 117          2HBD      HEM 117   5.401   2.513   2.513

  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -6.819 -13.591 -13.591
    2   2H    GLY   1          2H        GLY   1  -7.448 -13.548 -13.548
    3   1HA   GLY   1          1HA       GLY   1  -6.566 -11.198 -11.198
    4   2HA   GLY   1          2HA       GLY   1  -7.235 -11.181 -11.181
    5    H    ASP   2           HN       ASP   2  -8.172 -12.879 -12.879
    6    HA   ASP   2           HA       ASP   2 -10.965 -12.591 -12.591
    7   1HB   ASP   2          2HB       ASP   2  -9.475 -13.281 -13.281
    8   2HB   ASP   2          1HB       ASP   2 -11.135 -13.703 -13.703
    9    H    ALA   3           H        ALA   3 -10.711 -10.108 -10.108
   10    HA   ALA   3           HA       ALA   3 -10.407  -8.223  -8.223
   11   1HB   ALA   3          1HB       ALA   3 -10.981  -7.706  -7.706
   12   2HB   ALA   3          2HB       ALA   3 -12.644  -8.276  -8.276
   13   3HB   ALA   3          3HB       ALA   3 -12.050  -6.837  -6.837
   14    H    ALA   4           H        ALA   4 -13.313 -10.246 -10.246
   15    HA   ALA   4           HA       ALA   4 -14.977  -9.051  -9.051
   16   1HB   ALA   4          2HB       ALA   4 -15.737 -10.769 -10.769
   17   2HB   ALA   4          3HB       ALA   4 -14.746 -11.994 -11.994
   18   3HB   ALA   4          1HB       ALA   4 -16.116 -11.238 -11.238
   19    H    LYS   5           HN       LYS   5 -12.319 -11.397 -11.397
   20    HA   LYS   5           HA       LYS   5 -12.886 -11.757 -11.757
   21   1HB   LYS   5          2HB       LYS   5 -10.463 -12.559 -12.559
   22   2HB   LYS   5          1HB       LYS   5 -10.802 -13.043 -13.043
   23   1HG   LYS   5          2HG       LYS   5 -12.480 -13.765 -13.765
   24   2HG   LYS   5          1HG       LYS   5 -11.315 -14.815 -14.815
   25   1HD   LYS   5          2HD       LYS   5 -12.701 -14.572 -14.572
   26   2HD   LYS   5          1HD       LYS   5 -13.935 -13.744 -13.744
   27   1HE   LYS   5          1HE       LYS   5 -12.906 -16.588 -16.588
   28   2HE   LYS   5          2HE       LYS   5 -14.464 -16.135 -16.135
   29   1HZ   LYS   5          1HZ       LYS   5 -15.036 -15.100 -15.100
   30   2HZ   LYS   5          3HZ       LYS   5 -13.598 -15.564 -15.564
   31   3HZ   LYS   5          2HZ       LYS   5 -14.695 -16.700 -16.700
   32    H    GLY   6           H        GLY   6 -10.704 -10.012 -10.012
   33   1HA   GLY   6          1HA       GLY   6  -8.966  -8.744  -8.744
   34   2HA   GLY   6          2HA       GLY   6  -9.566  -8.040  -8.040
   35    H    GLU   7           HN       GLU   7 -12.260  -7.663  -7.663
   36    HA   GLU   7           HA       GLU   7 -12.484  -5.272  -5.272
   37   1HB   GLU   7          1HB       GLU   7 -14.537  -7.488  -7.488
   38   2HB   GLU   7          2HB       GLU   7 -14.944  -5.903  -5.903
   39   1HG   GLU   7          2HG       GLU   7 -14.422  -4.782  -4.782
   40   2HG   GLU   7          1HG       GLU   7 -13.562  -6.172  -6.172
   41    H    LYS   8           HN       LYS   8 -13.125  -8.582  -8.582
   42    HA   LYS   8           HA       LYS   8 -13.929  -7.742  -7.742
   43   1HB   LYS   8          1HB       LYS   8 -13.014 -10.475 -10.475
   44   2HB   LYS   8          2HB       LYS   8 -13.874 -10.127 -10.127
   45   1HG   LYS   8          2HG       LYS   8 -15.804  -9.259  -9.259
   46   2HG   LYS   8          1HG       LYS   8 -14.961  -9.658  -9.658
   47   1HD   LYS   8          1HD       LYS   8 -14.812 -12.051 -12.051
   48   2HD   LYS   8          2HD       LYS   8 -15.837 -11.641 -11.641
   49   1HE   LYS   8          1HE       LYS   8 -16.578 -11.337 -11.337
   50   2HE   LYS   8          2HE       LYS   8 -17.143 -12.620 -12.620
   51   1HZ   LYS   8          2HZ       LYS   8 -18.199 -10.934 -10.934
   52   2HZ   LYS   8          3HZ       LYS   8 -17.703  -9.754  -9.754
   53   3HZ   LYS   8          1HZ       LYS   8 -18.760 -10.908 -10.908
   54    H    GLU   9           HN       GLU   9 -10.985  -9.094  -9.094
   55    HA   GLU   9           HA       GLU   9  -9.372  -9.330  -9.330
   56   1HB   GLU   9          1HB       GLU   9  -8.984 -10.035 -10.035
   57   2HB   GLU   9          2HB       GLU   9  -8.278  -8.426  -8.426
   58   1HG   GLU   9          2HG       GLU   9  -7.404 -10.628 -10.628
   59   2HG   GLU   9          1HG       GLU   9  -6.577 -10.136 -10.136
   60    H    PHE  10           H        PHE  10  -9.988  -6.505  -6.505
   61    HA   PHE  10           HA       PHE  10  -8.180  -4.771  -4.771
   62   1HB   PHE  10          2HB       PHE  10  -9.680  -4.465  -4.465
   63   2HB   PHE  10          1HB       PHE  10 -10.857  -3.772  -3.772
   64    HD1  PHE  10           HD1      PHE  10  -7.419  -3.493  -3.493
   65    HD2  PHE  10           HD2      PHE  10 -10.344  -1.607  -1.607
   66    HE1  PHE  10           HE1      PHE  10  -5.973  -1.510  -1.510
   67    HE2  PHE  10           HE2      PHE  10  -8.876   0.398   0.398
   68    HZ   PHE  10           HZ       PHE  10  -6.717   0.469   0.469
   69    H    ASN  11           H        ASN  11 -11.030  -5.997  -5.997
   70    HA   ASN  11           HA       ASN  11 -11.538  -3.855  -3.855
   71   1HB   ASN  11          1HB       ASN  11 -12.824  -6.053  -6.053
   72   2HB   ASN  11          2HB       ASN  11 -11.656  -6.803  -6.803
   73   1HD2  ASN  11          1HD2      ASN  11 -13.031  -4.492  -4.492
   74   2HD2  ASN  11          2HD2      ASN  11 -11.443  -4.577  -4.577
   75    H    LYS  12           HN       LYS  12  -8.862  -6.190  -6.190
   76    HA   LYS  12           HA       LYS  12  -7.814  -5.678  -5.678
   77   1HB   LYS  12          1HB       LYS  12  -6.432  -6.788  -6.788
   78   2HB   LYS  12          2HB       LYS  12  -5.856  -6.874  -6.874
   79   1HG   LYS  12          2HG       LYS  12  -8.318  -8.286  -8.286
   80   2HG   LYS  12          1HG       LYS  12  -6.754  -8.984  -8.984
   81   1HD   LYS  12          1HD       LYS  12  -7.814  -9.619  -9.619
   82   2HD   LYS  12          2HD       LYS  12  -7.249  -8.043  -8.043
   83   1HE   LYS  12          2HE       LYS  12  -9.526  -7.094  -7.094
   84   2HE   LYS  12          1HE       LYS  12 -10.021  -8.683  -8.683
   85   1HZ   LYS  12          2HZ       LYS  12  -9.675  -9.543  -9.543
   86   2HZ   LYS  12          3HZ       LYS  12  -9.203  -8.063  -8.063
   87   3HZ   LYS  12          1HZ       LYS  12 -10.747  -8.292  -8.292
   88    H    CYS  13           H        CYS  13  -6.890  -4.683  -4.683
   89    HA   CYS  13           HA       CYS  13  -4.825  -2.967  -2.967
   90   1HB   CYS  13          2HB       CYS  13  -6.972  -2.579  -2.579
   91   2HB   CYS  13          1HB       CYS  13  -5.297  -2.038  -2.038
   92    H    LYS  14           HN       LYS  14  -8.305  -2.297  -2.297
   93    HA   LYS  14           HA       LYS  14  -8.499   0.395   0.395
   94   1HB   LYS  14          1HB       LYS  14 -10.343  -1.234  -1.234
   95   2HB   LYS  14          2HB       LYS  14 -10.074  -1.737  -1.737
   96   1HG   LYS  14          2HG       LYS  14 -10.672   0.533   0.533
   97   2HG   LYS  14          1HG       LYS  14 -10.940   1.024   1.024
   98   1HD   LYS  14          1HD       LYS  14 -12.678  -0.806  -0.806
   99   2HD   LYS  14          2HD       LYS  14 -12.487  -1.094  -1.094
  100   1HE   LYS  14          1HE       LYS  14 -13.372   1.530   1.530
  101   2HE   LYS  14          2HE       LYS  14 -14.426   0.375   0.375
  102   1HZ   LYS  14          2HZ       LYS  14 -13.200   0.815   0.815
  103   2HZ   LYS  14          3HZ       LYS  14 -12.242   1.906   1.906
  104   3HZ   LYS  14          1HZ       LYS  14 -13.844   2.203   2.203
  105    H    THR  15           H        THR  15  -7.333  -1.844  -1.844
  106    HA   THR  15           HA       THR  15  -7.660  -0.244  -0.244
  107    HB   THR  15           HB       THR  15  -5.394  -2.200  -2.200
  108    HG1  THR  15           HG1      THR  15  -7.219  -3.299  -3.299
  109   1HG2  THR  15          1HG2      THR  15  -6.799  -1.375  -1.375
  110   2HG2  THR  15          3HG2      THR  15  -5.594  -2.670  -2.670
  111   3HG2  THR  15          2HG2      THR  15  -5.121  -0.990  -0.990
  112    H    CYS  16           H        CYS  16  -5.326  -0.023  -0.023
  113    HA   CYS  16           HA       CYS  16  -3.908   2.214   2.214
  114   1HB   CYS  16          1HB       CYS  16  -2.857   0.170   0.170
  115   2HB   CYS  16          2HB       CYS  16  -1.961   1.596   1.596
  116    H    HIS  17           HN       HIS  17  -5.370   1.063   1.063
  117    HA   HIS  17           HA       HIS  17  -4.532   3.561   3.561
  118   1HB   HIS  17          1HB       HIS  17  -5.327   0.759   0.759
  119   2HB   HIS  17          2HB       HIS  17  -5.133   2.131   2.131
  120    HD1  HIS  17           HD1      HIS  17  -2.737   3.279   3.279
  121    HD2  HIS  17           HD2      HIS  17  -2.876  -0.525  -0.525
  122    HE1  HIS  17           HE1      HIS  17  -0.439   2.258   2.258
  123    H    SER  18           H        SER  18  -6.075   4.354   4.354
  124    HA   SER  18           HA       SER  18  -8.943   3.803   3.803
  125   1HB   SER  18          2HB       SER  18  -9.331   6.239   6.239
  126   2HB   SER  18          1HB       SER  18  -8.194   5.775   5.775
  127    HG   SER  18           HG       SER  18  -6.495   6.481   6.481
  128    H    ILE  19           H        ILE  19 -10.310   4.718   4.718
  129    HA   ILE  19           HA       ILE  19  -8.910   4.994   4.994
  130    HB   ILE  19           HB       ILE  19 -11.195   3.049   3.049
  131   1HG1  ILE  19          2HG1      ILE  19  -8.279   2.609   2.609
  132   2HG1  ILE  19          1HG1      ILE  19  -8.980   2.161   2.161
  133   1HG2  ILE  19          3HG2      ILE  19 -11.264   4.350   4.350
  134   2HG2  ILE  19          1HG2      ILE  19  -9.712   3.584   3.584
  135   3HG2  ILE  19          2HG2      ILE  19 -11.172   2.602   2.602
  136   1HD1  ILE  19          2HD1      ILE  19 -10.525   0.595   0.595
  137   2HD1  ILE  19          1HD1      ILE  19  -9.698   0.933   0.933
  138   3HD1  ILE  19          3HD1      ILE  19  -8.809   0.193   0.193
  139    H    ILE  20           H        ILE  20  -9.596   6.916   6.916
  140    HA   ILE  20           HA       ILE  20 -12.210   8.019   8.019
  141    HB   ILE  20           HB       ILE  20  -9.927   9.066   9.066
  142   1HG1  ILE  20          1HG1      ILE  20 -10.921  11.448  11.448
  143   2HG1  ILE  20          2HG1      ILE  20 -12.332  10.511  10.511
  144   1HG2  ILE  20          2HG2      ILE  20  -8.897   9.033   9.033
  145   2HG2  ILE  20          1HG2      ILE  20 -10.044  10.309  10.309
  146   3HG2  ILE  20          3HG2      ILE  20  -8.872  10.606  10.606
  147   1HD1  ILE  20          2HD1      ILE  20 -12.242   9.340   9.340
  148   2HD1  ILE  20          1HD1      ILE  20 -10.931  10.434  10.434
  149   3HD1  ILE  20          3HD1      ILE  20 -12.542  11.089  11.089
  150    H    ALA  21           H        ALA  21 -13.698   8.678   8.678
  151    HA   ALA  21           HA       ALA  21 -13.157   7.903   7.903
  152   1HB   ALA  21          2HB       ALA  21 -15.428   7.918   7.918
  153   2HB   ALA  21          3HB       ALA  21 -15.364   9.690   9.690
  154   3HB   ALA  21          1HB       ALA  21 -15.378   8.812   8.812
  155    HA   PRO  22           HA       PRO  22 -11.254  11.636  11.636
  156   1HB   PRO  22          1HB       PRO  22 -13.567  11.842  11.842
  157   2HB   PRO  22          2HB       PRO  22 -11.820  12.048  12.048
  158   1HG   PRO  22          2HG       PRO  22 -13.008   9.694   9.694
  159   2HG   PRO  22          1HG       PRO  22 -11.443   9.698   9.698
  160   1HD   PRO  22          1HD       PRO  22 -14.217   9.340   9.340
  161   2HD   PRO  22          2HD       PRO  22 -12.740   8.386   8.386
  162    H    ASP  23           HN       ASP  23 -14.790  11.805  11.805
  163    HA   ASP  23           HA       ASP  23 -14.953  14.665  14.665
  164   1HB   ASP  23          2HB       ASP  23 -17.342  14.111  14.111
  165   2HB   ASP  23          1HB       ASP  23 -16.765  13.401  13.401
  166    H    GLY  24           H        GLY  24 -13.816  12.299  12.299
  167   1HA   GLY  24          1HA       GLY  24 -13.147  12.868  12.868
  168   2HA   GLY  24          2HA       GLY  24 -14.451  14.036  14.036
  169    H    THR  25           H        THR  25 -16.295  11.640  11.640
  170    HA   THR  25           HA       THR  25 -17.289  10.843  10.843
  171    HB   THR  25           HB       THR  25 -17.575   9.433   9.433
  172    HG1  THR  25           HG1      THR  25 -18.370  11.493  11.493
  173   1HG2  THR  25          1HG2      THR  25 -19.234   9.239   9.239
  174   2HG2  THR  25          2HG2      THR  25 -19.680   8.554   8.554
  175   3HG2  THR  25          3HG2      THR  25 -18.263   7.930   7.930
  176    H    GLU  26           HN       GLU  26 -16.480   9.484   9.484
  177    HA   GLU  26           HA       GLU  26 -14.041   8.029   8.029
  178   1HB   GLU  26          2HB       GLU  26 -16.053   7.767   7.767
  179   2HB   GLU  26          1HB       GLU  26 -14.368   7.213   7.213
  180   1HG   GLU  26          2HG       GLU  26 -13.624   9.592   9.592
  181   2HG   GLU  26          1HG       GLU  26 -15.305  10.121  10.121
  182    H    ILE  27           H        ILE  27 -13.858   6.142   6.142
  183    HA   ILE  27           HA       ILE  27 -16.238   4.401   4.401
  184    HB   ILE  27           HB       ILE  27 -13.377   4.105   4.105
  185   1HG1  ILE  27          2HG1      ILE  27 -14.275   6.038   6.038
  186   2HG1  ILE  27          1HG1      ILE  27 -14.351   4.707   4.707
  187   1HG2  ILE  27          1HG2      ILE  27 -15.906   2.552   2.552
  188   2HG2  ILE  27          3HG2      ILE  27 -14.364   2.433   2.433
  189   3HG2  ILE  27          2HG2      ILE  27 -14.464   1.942   1.942
  190   1HD1  ILE  27          2HD1      ILE  27 -16.824   4.426   4.426
  191   2HD1  ILE  27          1HD1      ILE  27 -16.650   5.963   5.963
  192   3HD1  ILE  27          3HD1      ILE  27 -16.415   5.901   5.901
  193    H    VAL  28           H        VAL  28 -12.949   4.377   4.377
  194    HA   VAL  28           HA       VAL  28 -13.946   2.484   2.484
  195    HB   VAL  28           HB       VAL  28 -11.173   2.333   2.333
  196   1HG1  VAL  28          3HG2      VAL  28 -12.549   0.931   0.931
  197   2HG1  VAL  28          2HG2      VAL  28 -11.058   0.354   0.354
  198   3HG1  VAL  28          1HG2      VAL  28 -11.075   1.930   1.930
  199   1HG2  VAL  28          2HG1      VAL  28 -13.572   0.436   0.436
  200   2HG2  VAL  28          3HG1      VAL  28 -12.867   1.277   1.277
  201   3HG2  VAL  28          1HG1      VAL  28 -11.936   0.029   0.029
  202    H    LYS  29           HN       LYS  29 -14.356   3.960   3.960
  203    HA   LYS  29           HA       LYS  29 -12.667   6.182   6.182
  204   1HB   LYS  29          2HB       LYS  29 -14.286   6.411   6.411
  205   2HB   LYS  29          1HB       LYS  29 -14.997   6.507   6.507
  206   1HG   LYS  29          2HG       LYS  29 -15.151   4.071   4.071
  207   2HG   LYS  29          1HG       LYS  29 -16.344   5.346   5.346
  208   1HD   LYS  29          1HD       LYS  29 -15.812   3.113   3.113
  209   2HD   LYS  29          2HD       LYS  29 -17.288   3.634   3.634
  210   1HE   LYS  29          1HE       LYS  29 -17.382   5.688   5.688
  211   2HE   LYS  29          2HE       LYS  29 -15.861   5.277   5.277
  212   1HZ   LYS  29          1HZ       LYS  29 -18.310   3.704   3.704
  213   2HZ   LYS  29          3HZ       LYS  29 -17.670   4.717   4.717
  214   3HZ   LYS  29          2HZ       LYS  29 -16.862   3.354   3.354
  215    H    GLY  30           H        GLY  30 -10.875   4.419   4.419
  216   1HA   GLY  30          1HA       GLY  30 -10.588   3.019   3.019
  217   2HA   GLY  30          2HA       GLY  30  -9.592   2.823   2.823
  218    H    ALA  31           H        ALA  31  -8.043   3.080   3.080
  219    HA   ALA  31           HA       ALA  31  -7.699   5.780   5.780
  220   1HB   ALA  31          1HB       ALA  31  -7.082   3.727   3.727
  221   2HB   ALA  31          3HB       ALA  31  -5.800   3.430   3.430
  222   3HB   ALA  31          2HB       ALA  31  -5.728   4.863   4.863
  223    H    LYS  32           HN       LYS  32  -5.375   6.705   6.705
  224    HA   LYS  32           HA       LYS  32  -4.443   6.852   6.852
  225   1HB   LYS  32          1HB       LYS  32  -4.400   9.073   9.073
  226   2HB   LYS  32          2HB       LYS  32  -4.029   9.199   9.199
  227   1HG   LYS  32          1HG       LYS  32  -6.768   8.651   8.651
  228   2HG   LYS  32          2HG       LYS  32  -6.206  10.177  10.177
  229   1HD   LYS  32          2HD       LYS  32  -5.949   9.102   9.102
  230   2HD   LYS  32          1HD       LYS  32  -6.577   7.586   7.586
  231   1HE   LYS  32          2HE       LYS  32  -8.099  10.228  10.228
  232   2HE   LYS  32          1HE       LYS  32  -8.319   8.857   8.857
  233   1HZ   LYS  32          2HZ       LYS  32  -8.960   7.530   7.530
  234   2HZ   LYS  32          1HZ       LYS  32  -8.833   8.856   8.856
  235   3HZ   LYS  32          3HZ       LYS  32  -9.955   8.821   8.821
  236    H    THR  33           H        THR  33  -3.513   4.994   4.994
  237    HA   THR  33           HA       THR  33  -1.071   6.052   6.052
  238    HB   THR  33           HB       THR  33  -1.759   3.136   3.136
  239    HG1  THR  33           HG1      THR  33  -2.757   4.901   4.901
  240   1HG2  THR  33          3HG2      THR  33   0.460   3.646   3.646
  241   2HG2  THR  33          1HG2      THR  33  -0.312   4.590   4.590
  242   3HG2  THR  33          2HG2      THR  33  -0.596   2.840   2.840
  243    H    GLY  34           H        GLY  34  -2.108   4.174   4.174
  244   1HA   GLY  34          1HA       GLY  34   0.543   4.549   4.549
  245   2HA   GLY  34          2HA       GLY  34  -0.664   3.311   3.311
  246    HA   PRO  35           HA       PRO  35  -1.459   7.394   7.394
  247   1HB   PRO  35          1HB       PRO  35  -0.900   6.432   6.432
  248   2HB   PRO  35          2HB       PRO  35   0.311   7.169   7.169
  249   1HG   PRO  35          1HG       PRO  35  -0.322   4.226   4.226
  250   2HG   PRO  35          2HG       PRO  35   1.278   5.016   5.016
  251   1HD   PRO  35          1HD       PRO  35   0.639   3.914   3.914
  252   2HD   PRO  35          2HD       PRO  35   1.293   5.557   5.557
  253    H    ASN  36           H        ASN  36  -2.944   7.404   7.404
  254    HA   ASN  36           HA       ASN  36  -5.271   5.652   5.652
  255   1HB   ASN  36          2HB       ASN  36  -5.640   8.063   8.063
  256   2HB   ASN  36          1HB       ASN  36  -5.077   8.243   8.243
  257   1HD2  ASN  36          2HD2      ASN  36  -8.915   7.273   7.273
  258   2HD2  ASN  36          1HD2      ASN  36  -7.817   7.566   7.566
  259    H    LEU  37           H        LEU  37  -4.768   3.686   3.686
  260    HA   LEU  37           HA       LEU  37  -3.750   3.602   3.602
  261   1HB   LEU  37          2HB       LEU  37  -5.586   1.880   1.880
  262   2HB   LEU  37          1HB       LEU  37  -4.940   1.268   1.268
  263    HG   LEU  37           HG       LEU  37  -2.892   1.174   1.174
  264   1HD1  LEU  37          2HD2      LEU  37  -2.153   3.321   3.321
  265   2HD1  LEU  37          3HD2      LEU  37  -2.887   3.209   3.209
  266   3HD1  LEU  37          1HD2      LEU  37  -1.550   2.142   2.142
  267   1HD2  LEU  37          1HD1      LEU  37  -4.335   0.795   0.795
  268   2HD2  LEU  37          2HD1      LEU  37  -4.059  -0.406  -0.406
  269   3HD2  LEU  37          3HD1      LEU  37  -2.701   0.189   0.189
  270    H    TYR  38           H        TYR  38  -6.406   5.428   5.428
  271    HA   TYR  38           HA       TYR  38  -7.848   4.153   4.153
  272   1HB   TYR  38          2HB       TYR  38  -8.992   5.755   5.755
  273   2HB   TYR  38          1HB       TYR  38  -7.821   7.013   7.013
  274    HD1  TYR  38           HD2      TYR  38 -10.469   4.852   4.852
  275    HD2  TYR  38           HD1      TYR  38  -8.151   8.447   8.447
  276    HE1  TYR  38           HE2      TYR  38 -11.530   5.325   5.325
  277    HE2  TYR  38           HE1      TYR  38  -9.075   8.838   8.838
  278    HH   TYR  38           HH       TYR  38 -11.554   6.773   6.773
  279    H    GLY  39           H        GLY  39  -5.977   3.519   3.519
  280   1HA   GLY  39          1HA       GLY  39  -5.278   3.893   3.893
  281   2HA   GLY  39          2HA       GLY  39  -5.247   5.634   5.634
  282    H    VAL  40           H        VAL  40  -3.725   2.836   2.836
  283    HA   VAL  40           HA       VAL  40  -1.104   4.087   4.087
  284    HB   VAL  40           HB       VAL  40  -1.724   1.139   1.139
  285   1HG1  VAL  40          1HG2      VAL  40   0.609   2.979   2.979
  286   2HG1  VAL  40          2HG2      VAL  40   0.425   1.318   1.318
  287   3HG1  VAL  40          3HG2      VAL  40   0.614   1.608   1.608
  288   1HG2  VAL  40          3HG1      VAL  40  -1.720   3.468   3.468
  289   2HG2  VAL  40          2HG1      VAL  40  -3.028   2.291   2.291
  290   3HG2  VAL  40          1HG1      VAL  40  -1.545   1.764   1.764
  291    H    VAL  41           H        VAL  41  -2.802   1.600   1.600
  292    HA   VAL  41           HA       VAL  41  -0.549   0.585   0.585
  293    HB   VAL  41           HB       VAL  41  -3.423   0.852   0.852
  294   1HG1  VAL  41          2HG2      VAL  41  -1.129  -0.828  -0.828
  295   2HG1  VAL  41          3HG2      VAL  41  -2.840  -1.014  -1.014
  296   3HG1  VAL  41          1HG2      VAL  41  -1.987   0.477   0.477
  297   1HG2  VAL  41          3HG1      VAL  41  -1.792  -1.388  -1.388
  298   2HG2  VAL  41          2HG1      VAL  41  -3.087  -0.466  -0.466
  299   3HG2  VAL  41          1HG1      VAL  41  -3.472  -1.537  -1.537
  300    H    GLY  42           H        GLY  42   0.907   1.479   1.479
  301   1HA   GLY  42          1HA       GLY  42   1.667   2.596   2.596
  302   2HA   GLY  42          2HA       GLY  42   0.231   3.626   3.626
  303    H    ARG  43           HN       ARG  43   0.752   3.843   3.843
  304    HA   ARG  43           HA       ARG  43   1.975   6.415   6.415
  305   1HB   ARG  43          1HB       ARG  43   0.272   5.638   5.638
  306   2HB   ARG  43          2HB       ARG  43   1.515   4.667   4.667
  307   1HG   ARG  43          1HG       ARG  43   2.774   6.632   6.632
  308   2HG   ARG  43          2HG       ARG  43   1.698   7.677   7.677
  309   1HD   ARG  43          1HD       ARG  43   0.840   5.974   5.974
  310   2HD   ARG  43          2HD       ARG  43   1.142   7.700   7.700
  311    HE   ARG  43           HE       ARG  43  -1.130   6.320   6.320
  312   1HH1  ARG  43          2HH1      ARG  43   0.523   9.481   9.481
  313   2HH1  ARG  43          1HH1      ARG  43  -0.730  10.316  10.316
  314   1HH2  ARG  43          2HH2      ARG  43  -2.641   7.375   7.375
  315   2HH2  ARG  43          1HH2      ARG  43  -2.624   9.116   9.116
  316    H    THR  44           H        THR  44   4.072   7.090   7.090
  317    HA   THR  44           HA       THR  44   6.211   5.276   5.276
  318    HB   THR  44           HB       THR  44   6.306   8.215   8.215
  319    HG1  THR  44           HG1      THR  44   6.057   6.959   6.959
  320   1HG2  THR  44          3HG2      THR  44   8.284   6.408   6.408
  321   2HG2  THR  44          2HG2      THR  44   8.433   8.168   8.168
  322   3HG2  THR  44          1HG2      THR  44   8.480   7.118   7.118
  323    H    ALA  45           H        ALA  45   5.416   4.007   4.007
  324    HA   ALA  45           HA       ALA  45   5.829   3.221   3.221
  325   1HB   ALA  45          1HB       ALA  45   8.248   3.665   3.665
  326   2HB   ALA  45          2HB       ALA  45   8.133   5.159   5.159
  327   3HB   ALA  45          3HB       ALA  45   7.900   3.586   3.586
  328    H    GLY  46           H        GLY  46   6.952   5.029   5.029
  329   1HA   GLY  46          1HA       GLY  46   4.531   5.981   5.981
  330   2HA   GLY  46          2HA       GLY  46   6.166   6.287   6.287
  331    H    THR  47           H        THR  47   3.747   7.356   7.356
  332    HA   THR  47           HA       THR  47   4.374  10.156  10.156
  333    HB   THR  47           HB       THR  47   5.831   9.783   9.783
  334    HG1  THR  47           HG1      THR  47   3.536  11.325  11.325
  335   1HG2  THR  47          2HG2      THR  47   4.635   7.975   7.975
  336   2HG2  THR  47          3HG2      THR  47   3.338   9.109   9.109
  337   3HG2  THR  47          1HG2      THR  47   4.974   9.354   9.354
  338    H    TYR  48           H        TYR  48   2.184   8.724   8.724
  339    HA   TYR  48           HA       TYR  48  -0.110   9.717   9.717
  340   1HB   TYR  48          1HB       TYR  48   0.023   7.478   7.478
  341   2HB   TYR  48          2HB       TYR  48  -0.309   8.523   8.523
  342    HD1  TYR  48           HD2      TYR  48  -2.476   9.962   9.962
  343    HD2  TYR  48           HD1      TYR  48  -1.641   6.765   6.765
  344    HE1  TYR  48           HE2      TYR  48  -4.732  10.221  10.221
  345    HE2  TYR  48           HE1      TYR  48  -3.812   7.123   7.123
  346    HH   TYR  48           HH       TYR  48  -5.865   8.177   8.177
  347    HA   PRO  49           HA       PRO  49   0.683  13.572  13.572
  348   1HB   PRO  49          1HB       PRO  49  -1.798  14.807  14.807
  349   2HB   PRO  49          2HB       PRO  49  -0.677  14.702  14.702
  350   1HG   PRO  49          2HG       PRO  49  -2.993  12.851  12.851
  351   2HG   PRO  49          1HG       PRO  49  -2.624  13.648  13.648
  352   1HD   PRO  49          1HD       PRO  49  -1.882  11.107  11.107
  353   2HD   PRO  49          2HD       PRO  49  -0.714  12.220  12.220
  354    H    GLU  50           HN       GLU  50   0.249  14.726  14.726
  355    HA   GLU  50           HA       GLU  50   0.177  14.774  14.774
  356   1HB   GLU  50          1HB       GLU  50  -2.610  13.613  13.613
  357   2HB   GLU  50          2HB       GLU  50  -2.020  14.661  14.661
  358   1HG   GLU  50          2HG       GLU  50  -2.503  15.398  15.398
  359   2HG   GLU  50          1HG       GLU  50  -3.333  16.017  16.017
  360    H    PHE  51           H        PHE  51   1.809  12.791  12.791
  361    HA   PHE  51           HA       PHE  51   1.269  11.142  11.142
  362   1HB   PHE  51          1HB       PHE  51   0.164   9.869   9.869
  363   2HB   PHE  51          2HB       PHE  51   1.754   9.701   9.701
  364    HD1  PHE  51           HD2      PHE  51  -0.332   8.946   8.946
  365    HD2  PHE  51           HD1      PHE  51   3.486   8.274   8.274
  366    HE1  PHE  51           HE2      PHE  51   0.295   7.416   7.416
  367    HE2  PHE  51           HE1      PHE  51   4.086   6.672   6.672
  368    HZ   PHE  51           HZ       PHE  51   2.464   6.206   6.206
  369    H    LYS  52           HN       LYS  52   3.097  11.195  11.195
  370    HA   LYS  52           HA       LYS  52   5.600  12.005  12.005
  371   1HB   LYS  52          2HB       LYS  52   4.799  12.806  12.806
  372   2HB   LYS  52          1HB       LYS  52   5.104  11.187  11.187
  373   1HG   LYS  52          1HG       LYS  52   7.524  11.736  11.736
  374   2HG   LYS  52          2HG       LYS  52   6.982  13.358  13.358
  375   1HD   LYS  52          2HD       LYS  52   8.359  12.640  12.640
  376   2HD   LYS  52          1HD       LYS  52   6.696  12.628  12.628
  377   1HE   LYS  52          1HE       LYS  52   7.970  10.643  10.643
  378   2HE   LYS  52          2HE       LYS  52   6.611  10.151  10.151
  379   1HZ   LYS  52          3HZ       LYS  52   9.377  10.446  10.446
  380   2HZ   LYS  52          1HZ       LYS  52   8.671   9.023   9.023
  381   3HZ   LYS  52          2HZ       LYS  52   8.104   9.854   9.854
  382    H    TYR  53           H        TYR  53   5.960  10.226  10.226
  383    HA   TYR  53           HA       TYR  53   6.402   7.525   7.525
  384   1HB   TYR  53          2HB       TYR  53   7.580   8.932   8.932
  385   2HB   TYR  53          1HB       TYR  53   7.534   7.216   7.216
  386    HD1  TYR  53           HD1      TYR  53   5.541   5.851   5.851
  387    HD2  TYR  53           HD2      TYR  53   5.475  10.040  10.040
  388    HE1  TYR  53           HE1      TYR  53   3.405   5.525   5.525
  389    HE2  TYR  53           HE2      TYR  53   3.263   9.740   9.740
  390    HH   TYR  53           HH       TYR  53   1.888   6.501   6.501
  391    H    LYS  54           HN       LYS  54   8.768   6.746   6.746
  392    HA   LYS  54           HA       LYS  54  10.747   8.033   8.033
  393   1HB   LYS  54          2HB       LYS  54  11.008   5.132   5.132
  394   2HB   LYS  54          1HB       LYS  54  11.456   6.051   6.051
  395   1HG   LYS  54          2HG       LYS  54   8.639   5.201   5.201
  396   2HG   LYS  54          1HG       LYS  54   9.635   4.432   4.432
  397   1HD   LYS  54          1HD       LYS  54   9.520   6.312   6.312
  398   2HD   LYS  54          2HD       LYS  54   8.908   7.376   7.376
  399   1HE   LYS  54          1HE       LYS  54   6.844   5.849   5.849
  400   2HE   LYS  54          2HE       LYS  54   7.418   5.104   5.104
  401   1HZ   LYS  54          1HZ       LYS  54   7.332   7.344   7.344
  402   2HZ   LYS  54          3HZ       LYS  54   6.706   7.923   7.923
  403   3HZ   LYS  54          2HZ       LYS  54   5.861   6.826   6.826
  404    H    ASP  55           HN       ASP  55  12.967   7.275   7.275
  405    HA   ASP  55           HA       ASP  55  13.738   8.363   8.363
  406   1HB   ASP  55          1HB       ASP  55  15.404   6.317   6.317
  407   2HB   ASP  55          2HB       ASP  55  15.957   7.716   7.716
  408    H    SER  56           H        SER  56  13.020   4.946   4.946
  409    HA   SER  56           HA       SER  56  14.618   3.729   3.729
  410   1HB   SER  56          1HB       SER  56  13.067   1.810   1.810
  411   2HB   SER  56          2HB       SER  56  14.145   2.562   2.562
  412    HG   SER  56           HG       SER  56  11.816   2.329   2.329
  413    H    ILE  57           H        ILE  57  11.161   3.810   3.810
  414    HA   ILE  57           HA       ILE  57  10.347   3.030   3.030
  415    HB   ILE  57           HB       ILE  57   9.168   3.038   3.038
  416   1HG1  ILE  57          1HG1      ILE  57   7.594   3.777   3.777
  417   2HG1  ILE  57          2HG1      ILE  57   8.204   2.167   2.167
  418   1HG2  ILE  57          3HG2      ILE  57   9.284   5.453   5.453
  419   2HG2  ILE  57          1HG2      ILE  57   8.132   5.735   5.735
  420   3HG2  ILE  57          2HG2      ILE  57   7.650   4.821   4.821
  421   1HD1  ILE  57          2HD1      ILE  57   6.777   2.158   2.158
  422   2HD1  ILE  57          3HD1      ILE  57   6.051   3.694   3.694
  423   3HD1  ILE  57          1HD1      ILE  57   5.865   2.236   2.236
  424    H    VAL  58           H        VAL  58  10.944   6.347   6.347
  425    HA   VAL  58           HA       VAL  58  10.027   7.688   7.688
  426    HB   VAL  58           HB       VAL  58  12.021   8.427   8.427
  427   1HG1  VAL  58          3HG2      VAL  58  11.033  10.145  10.145
  428   2HG1  VAL  58          1HG2      VAL  58  11.856  10.762  10.762
  429   3HG1  VAL  58          2HG2      VAL  58  12.718   9.690   9.690
  430   1HG2  VAL  58          3HG1      VAL  58   9.531   8.259   8.259
  431   2HG2  VAL  58          2HG1      VAL  58  10.208   9.882   9.882
  432   3HG2  VAL  58          1HG1      VAL  58   9.240   9.504   9.504
  433    H    ALA  59           H        ALA  59  13.344   6.531   6.531
  434    HA   ALA  59           HA       ALA  59  14.609   7.280   7.280
  435   1HB   ALA  59          2HB       ALA  59  15.243   4.984   4.984
  436   2HB   ALA  59          3HB       ALA  59  16.327   5.607   5.607
  437   3HB   ALA  59          1HB       ALA  59  15.859   6.647   6.647
  438    H    LEU  60           H        LEU  60  12.862   4.287   4.287
  439    HA   LEU  60           HA       LEU  60  13.381   2.801   2.801
  440   1HB   LEU  60          2HB       LEU  60  12.226   1.997   1.997
  441   2HB   LEU  60          1HB       LEU  60  10.815   2.955   2.955
  442    HG   LEU  60           HG       LEU  60  10.403   1.660   1.660
  443   1HD1  LEU  60          3HD2      LEU  60  12.786  -0.038  -0.038
  444   2HD1  LEU  60          2HD2      LEU  60  11.629  -0.482  -0.482
  445   3HD1  LEU  60          1HD2      LEU  60  12.681   0.916   0.916
  446   1HD2  LEU  60          2HD1      LEU  60   9.397   0.984   0.984
  447   2HD2  LEU  60          1HD1      LEU  60   9.696  -0.412  -0.412
  448   3HD2  LEU  60          3HD1      LEU  60  10.787  -0.082  -0.082
  449    H    GLY  61           H        GLY  61  10.717   5.120   5.120
  450   1HA   GLY  61          1HA       GLY  61   9.517   5.150   5.150
  451   2HA   GLY  61          2HA       GLY  61   9.548   6.510   6.510
  452    H    ALA  62           H        ALA  62  12.032   7.340   7.340
  453    HA   ALA  62           HA       ALA  62  12.504   8.875   8.875
  454   1HB   ALA  62          1HB       ALA  62  13.368   9.366   9.366
  455   2HB   ALA  62          3HB       ALA  62  14.564   8.062   8.062
  456   3HB   ALA  62          2HB       ALA  62  14.626   9.481   9.481
  457    H    SER  63           H        SER  63  13.957   5.685   5.685
  458    HA   SER  63           HA       SER  63  15.815   5.771   5.771
  459   1HB   SER  63          2HB       SER  63  16.214   3.447   3.447
  460   2HB   SER  63          1HB       SER  63  16.085   4.313   4.313
  461    HG   SER  63           HG       SER  63  13.777   3.558   3.558
  462    H    GLY  64           H        GLY  64  12.432   5.571   5.571
  463   1HA   GLY  64          1HA       GLY  64  11.458   5.723   5.723
  464   2HA   GLY  64          2HA       GLY  64  12.579   4.520   4.520
  465    H    PHE  65           H        PHE  65  11.382   3.665   3.665
  466    HA   PHE  65           HA       PHE  65   9.971   1.390   1.390
  467   1HB   PHE  65          1HB       PHE  65  11.102   1.349   1.349
  468   2HB   PHE  65          2HB       PHE  65  10.019   2.628   2.628
  469    HD1  PHE  65           HD2      PHE  65   7.608   2.233   2.233
  470    HD2  PHE  65           HD1      PHE  65  10.264  -0.993  -0.993
  471    HE1  PHE  65           HE2      PHE  65   6.158   0.656   0.656
  472    HE2  PHE  65           HE1      PHE  65   8.724  -2.601  -2.601
  473    HZ   PHE  65           HZ       PHE  65   6.699  -1.773  -1.773
  474    H    ALA  66           H        ALA  66   7.828   1.148   1.148
  475    HA   ALA  66           HA       ALA  66   5.877   3.227   3.227
  476   1HB   ALA  66          2HB       ALA  66   6.009   1.890   1.890
  477   2HB   ALA  66          1HB       ALA  66   4.709   2.951   2.951
  478   3HB   ALA  66          3HB       ALA  66   6.342   3.604   3.604
  479    H    TRP  67           H        TRP  67   4.123   2.236   2.236
  480    HA   TRP  67           HA       TRP  67   4.293  -0.494  -0.494
  481   1HB   TRP  67          1HB       TRP  67   2.329   1.810   1.810
  482   2HB   TRP  67          2HB       TRP  67   1.866   0.222   0.222
  483    HD1  TRP  67           HD1      TRP  67   2.923   3.148   3.148
  484    HE1  TRP  67           HE1      TRP  67   3.815   2.646   2.646
  485    HE3  TRP  67           HE3      TRP  67   3.751  -1.891  -1.891
  486    HZ2  TRP  67           HZ2      TRP  67   5.004   0.473   0.473
  487    HZ3  TRP  67           HZ3      TRP  67   4.942  -3.102  -3.102
  488    HH2  TRP  67           HH2      TRP  67   5.736  -1.875  -1.875
  489    H    THR  68           H        THR  68   2.877  -2.125  -2.125
  490    HA   THR  68           HA       THR  68   1.107  -1.891  -1.891
  491    HB   THR  68           HB       THR  68   2.063  -3.785  -3.785
  492    HG1  THR  68           HG1      THR  68   4.363  -3.965  -3.965
  493   1HG2  THR  68          2HG2      THR  68   3.092  -1.592  -1.592
  494   2HG2  THR  68          3HG2      THR  68   4.401  -1.930  -1.930
  495   3HG2  THR  68          1HG2      THR  68   4.181  -2.974  -2.974
  496    H    GLU  69           HN       GLU  69  -0.240  -3.967  -3.967
  497    HA   GLU  69           HA       GLU  69  -1.122  -4.771  -4.771
  498   1HB   GLU  69          1HB       GLU  69  -1.215  -6.304  -6.304
  499   2HB   GLU  69          2HB       GLU  69  -2.186  -6.661  -6.661
  500   1HG   GLU  69          1HG       GLU  69  -3.037  -4.238  -4.238
  501   2HG   GLU  69          2HG       GLU  69  -2.286  -4.140  -4.140
  502    H    GLU  70           HN       GLU  70   1.423  -6.175  -6.175
  503    HA   GLU  70           HA       GLU  70   1.853  -8.555  -8.555
  504   1HB   GLU  70          2HB       GLU  70   3.754  -7.072  -7.072
  505   2HB   GLU  70          1HB       GLU  70   3.920  -8.734  -8.734
  506   1HG   GLU  70          1HG       GLU  70   1.723  -9.294  -9.294
  507   2HG   GLU  70          2HG       GLU  70   1.678  -7.666  -7.666
  508    H    ASP  71           HN       ASP  71   3.534  -5.365  -5.365
  509    HA   ASP  71           HA       ASP  71   5.465  -5.961  -5.961
  510   1HB   ASP  71          1HB       ASP  71   4.265  -3.386  -3.386
  511   2HB   ASP  71          2HB       ASP  71   5.446  -3.398  -3.398
  512    H    ILE  72           H        ILE  72   2.214  -4.434  -4.434
  513    HA   ILE  72           HA       ILE  72   2.276  -3.979  -3.979
  514    HB   ILE  72           HB       ILE  72  -0.061  -4.617  -4.617
  515   1HG1  ILE  72          1HG1      ILE  72   1.347  -2.494  -2.494
  516   2HG1  ILE  72          2HG1      ILE  72  -0.405  -2.337  -2.337
  517   1HG2  ILE  72          3HG2      ILE  72  -0.066  -3.571  -3.571
  518   2HG2  ILE  72          2HG2      ILE  72  -1.459  -3.489  -3.489
  519   3HG2  ILE  72          1HG2      ILE  72  -0.817  -5.054  -5.054
  520   1HD1  ILE  72          1HD1      ILE  72   1.529  -1.793  -1.793
  521   2HD1  ILE  72          3HD1      ILE  72   0.960  -0.582  -0.582
  522   3HD1  ILE  72          2HD1      ILE  72  -0.208  -1.374  -1.374
  523    H    ALA  73           H        ALA  73   0.900  -6.708  -6.708
  524    HA   ALA  73           HA       ALA  73   0.053  -8.355  -8.355
  525   1HB   ALA  73          3HB       ALA  73   1.271  -9.104  -9.104
  526   2HB   ALA  73          2HB       ALA  73   0.338 -10.192 -10.192
  527   3HB   ALA  73          1HB       ALA  73  -0.441  -8.764  -8.764
  528    H    THR  74           H        THR  74   3.358  -8.089  -8.089
  529    HA   THR  74           HA       THR  74   4.436 -10.164 -10.164
  530    HB   THR  74           HB       THR  74   5.934  -7.884  -7.884
  531    HG1  THR  74           HG1      THR  74   4.653  -8.957  -8.957
  532   1HG2  THR  74          2HG2      THR  74   7.249  -9.314  -9.314
  533   2HG2  THR  74          1HG2      THR  74   6.749 -10.747 -10.747
  534   3HG2  THR  74          3HG2      THR  74   7.774  -9.520  -9.520
  535    H    TYR  75           H        TYR  75   4.662  -6.553  -6.553
  536    HA   TYR  75           HA       TYR  75   6.167  -6.368  -6.368
  537   1HB   TYR  75          2HB       TYR  75   5.905  -4.484  -4.484
  538   2HB   TYR  75          1HB       TYR  75   4.173  -4.504  -4.504
  539    HD1  TYR  75           HD1      TYR  75   7.022  -4.295  -4.295
  540    HD2  TYR  75           HD2      TYR  75   3.063  -2.972  -2.972
  541    HE1  TYR  75           HE1      TYR  75   7.136  -2.542  -2.542
  542    HE2  TYR  75           HE2      TYR  75   3.196  -1.238  -1.238
  543    HH   TYR  75           HH       TYR  75   6.054  -0.660  -0.660
  544    H    VAL  76           H        VAL  76   2.571  -6.549  -6.549
  545    HA   VAL  76           HA       VAL  76   2.149  -6.118  -6.118
  546    HB   VAL  76           HB       VAL  76   0.116  -7.487  -7.487
  547   1HG1  VAL  76          2HG1      VAL  76   0.079  -5.080  -5.080
  548   2HG1  VAL  76          1HG1      VAL  76   0.537  -5.386  -5.386
  549   3HG1  VAL  76          3HG1      VAL  76  -1.034  -5.940  -5.940
  550   1HG2  VAL  76          1HG2      VAL  76   0.807  -9.145  -9.145
  551   2HG2  VAL  76          2HG2      VAL  76  -0.714  -8.327  -8.327
  552   3HG2  VAL  76          3HG2      VAL  76   0.765  -7.851  -7.851
  553    H    LYS  77           HN       LYS  77   3.271  -9.078  -9.078
  554    HA   LYS  77           HA       LYS  77   3.134 -10.517 -10.517
  555   1HB   LYS  77          2HB       LYS  77   3.659 -12.514 -12.514
  556   2HB   LYS  77          1HB       LYS  77   2.203 -11.725 -11.725
  557   1HG   LYS  77          1HG       LYS  77   3.284 -10.890 -10.890
  558   2HG   LYS  77          2HG       LYS  77   4.897 -11.346 -11.346
  559   1HD   LYS  77          2HD       LYS  77   2.674 -13.354 -13.354
  560   2HD   LYS  77          1HD       LYS  77   3.835 -12.815 -12.815
  561   1HE   LYS  77          1HE       LYS  77   5.726 -13.589 -13.589
  562   2HE   LYS  77          2HE       LYS  77   4.567 -14.221 -14.221
  563   1HZ   LYS  77          2HZ       LYS  77   4.794 -15.077 -15.077
  564   2HZ   LYS  77          1HZ       LYS  77   5.326 -15.908 -15.908
  565   3HZ   LYS  77          3HZ       LYS  77   3.711 -15.661 -15.661
  566    H    ASP  78           HN       ASP  78   5.297  -8.399  -8.399
  567    HA   ASP  78           HA       ASP  78   7.583  -9.619  -9.619
  568   1HB   ASP  78          1HB       ASP  78   7.538  -8.995  -8.995
  569   2HB   ASP  78          2HB       ASP  78   9.031  -9.150  -9.150
  570    HA   PRO  79           HA       PRO  79   7.143  -4.935  -4.935
  571   1HB   PRO  79          1HB       PRO  79   7.435  -5.543  -5.543
  572   2HB   PRO  79          2HB       PRO  79   6.366  -4.353  -4.353
  573   1HG   PRO  79          2HG       PRO  79   5.434  -6.685  -6.685
  574   2HG   PRO  79          1HG       PRO  79   4.789  -6.008  -6.008
  575   1HD   PRO  79          2HD       PRO  79   6.785  -8.253  -8.253
  576   2HD   PRO  79          1HD       PRO  79   5.394  -8.115  -8.115
  577    H    GLY  80           H        GLY  80   9.023  -3.695  -3.695
  578   1HA   GLY  80          1HA       GLY  80  11.282  -3.203  -3.203
  579   2HA   GLY  80          2HA       GLY  80  11.349  -4.478  -4.478
  580    H    ALA  81           H        ALA  81  11.135  -6.789  -6.789
  581    HA   ALA  81           HA       ALA  81  13.416  -7.520  -7.520
  582   1HB   ALA  81          2HB       ALA  81  10.671  -8.825  -8.825
  583   2HB   ALA  81          3HB       ALA  81  12.176  -9.601  -9.601
  584   3HB   ALA  81          1HB       ALA  81  11.987  -9.108  -9.108
  585    H    PHE  82           H        PHE  82  10.198  -6.771  -6.771
  586    HA   PHE  82           HA       PHE  82  10.770  -7.158  -7.158
  587   1HB   PHE  82          1HB       PHE  82   8.575  -6.690  -6.690
  588   2HB   PHE  82          2HB       PHE  82   9.067  -5.080  -5.080
  589    HD1  PHE  82           HD2      PHE  82   8.544  -7.288  -7.288
  590    HD2  PHE  82           HD1      PHE  82   8.893  -3.236  -3.236
  591    HE1  PHE  82           HE2      PHE  82   7.683  -6.432  -6.432
  592    HE2  PHE  82           HE1      PHE  82   8.054  -2.394  -2.394
  593    HZ   PHE  82           HZ       PHE  82   7.383  -4.014  -4.014
  594    H    LEU  83           H        LEU  83  11.132  -4.111  -4.111
  595    HA   LEU  83           HA       LEU  83  12.144  -2.533  -2.533
  596   1HB   LEU  83          2HB       LEU  83  12.340  -2.275  -2.275
  597   2HB   LEU  83          1HB       LEU  83  12.915  -1.139  -1.139
  598    HG   LEU  83           HG       LEU  83  10.398  -1.301  -1.301
  599   1HD1  LEU  83          1HD2      LEU  83  10.180  -1.829  -1.829
  600   2HD1  LEU  83          2HD2      LEU  83   8.853  -1.281  -1.281
  601   3HD1  LEU  83          3HD2      LEU  83   9.572  -2.882  -2.882
  602   1HD2  LEU  83          1HD1      LEU  83  11.311   0.357   0.357
  603   2HD2  LEU  83          2HD1      LEU  83  11.594   0.767   0.767
  604   3HD2  LEU  83          3HD1      LEU  83   9.945   0.753   0.753
  605    H    LYS  84           HN       LYS  84  13.725  -4.412  -4.412
  606    HA   LYS  84           HA       LYS  84  16.411  -3.764  -3.764
  607   1HB   LYS  84          2HB       LYS  84  15.189  -6.344  -6.344
  608   2HB   LYS  84          1HB       LYS  84  16.927  -6.030  -6.030
  609   1HG   LYS  84          2HG       LYS  84  16.788  -4.211  -4.211
  610   2HG   LYS  84          1HG       LYS  84  15.009  -4.156  -4.156
  611   1HD   LYS  84          2HD       LYS  84  14.842  -6.312  -6.312
  612   2HD   LYS  84          1HD       LYS  84  16.596  -6.520  -6.520
  613   1HE   LYS  84          2HE       LYS  84  16.006  -5.821  -5.821
  614   2HE   LYS  84          1HE       LYS  84  16.858  -4.482  -4.482
  615   1HZ   LYS  84          1HZ       LYS  84  14.700  -3.500  -3.500
  616   2HZ   LYS  84          2HZ       LYS  84  13.945  -4.746  -4.746
  617   3HZ   LYS  84          3HZ       LYS  84  14.927  -3.731  -3.731
  618    H    GLU  85           HN       GLU  85  14.443  -6.511  -6.511
  619    HA   GLU  85           HA       GLU  85  16.293  -7.523  -7.523
  620   1HB   GLU  85          2HB       GLU  85  14.261  -8.696  -8.696
  621   2HB   GLU  85          1HB       GLU  85  13.243  -7.416  -7.416
  622   1HG   GLU  85          2HG       GLU  85  14.054  -7.896  -7.896
  623   2HG   GLU  85          1HG       GLU  85  15.151  -9.121  -9.121
  624    H    LYS  86           HN       LYS  86  13.663  -5.180  -5.180
  625    HA   LYS  86           HA       LYS  86  14.354  -4.768  -4.768
  626   1HB   LYS  86          1HB       LYS  86  12.833  -3.027  -3.027
  627   2HB   LYS  86          2HB       LYS  86  12.902  -2.703  -2.703
  628   1HG   LYS  86          1HG       LYS  86  11.834  -5.324  -5.324
  629   2HG   LYS  86          2HG       LYS  86  10.837  -3.903  -3.903
  630   1HD   LYS  86          2HD       LYS  86  11.507  -3.949  -3.949
  631   2HD   LYS  86          1HD       LYS  86  12.463  -5.418  -5.418
  632   1HE   LYS  86          1HE       LYS  86  10.433  -6.619  -6.619
  633   2HE   LYS  86          2HE       LYS  86   9.470  -5.148  -5.148
  634   1HZ   LYS  86          1HZ       LYS  86   9.999  -5.216  -5.216
  635   2HZ   LYS  86          3HZ       LYS  86  10.898  -6.587  -6.587
  636   3HZ   LYS  86          2HZ       LYS  86   9.272  -6.612  -6.612
  637    H    LEU  87           H        LEU  87  15.127  -2.669  -2.669
  638    HA   LEU  87           HA       LEU  87  16.571  -0.852  -0.852
  639   1HB   LEU  87          1HB       LEU  87  14.883  -0.138  -0.138
  640   2HB   LEU  87          2HB       LEU  87  16.025  -0.665  -0.665
  641    HG   LEU  87           HG       LEU  87  17.642   1.045   1.045
  642   1HD1  LEU  87          3HD2      LEU  87  15.497   1.747   1.747
  643   2HD1  LEU  87          1HD2      LEU  87  16.820   2.838   2.838
  644   3HD1  LEU  87          2HD2      LEU  87  17.186   1.296   1.296
  645   1HD2  LEU  87          2HD1      LEU  87  15.915   1.558   1.558
  646   2HD2  LEU  87          3HD1      LEU  87  16.416   2.982   2.982
  647   3HD2  LEU  87          1HD1      LEU  87  14.860   2.198   2.198
  648    H    ASP  88           HN       ASP  88  17.403  -3.352  -3.352
  649    HA   ASP  88           HA       ASP  88  19.331  -4.029  -4.029
  650   1HB   ASP  88          1HB       ASP  88  19.837  -4.455  -4.455
  651   2HB   ASP  88          2HB       ASP  88  20.536  -2.835  -2.835
  652    H    ASP  89           HN       ASP  89  18.438  -1.941  -1.941
  653    HA   ASP  89           HA       ASP  89  20.748  -0.125  -0.125
  654   1HB   ASP  89          1HB       ASP  89  19.043   1.191   1.191
  655   2HB   ASP  89          2HB       ASP  89  17.766   0.378   0.378
  656    H    LYS  90           HN       LYS  90  21.525  -0.255  -0.255
  657    HA   LYS  90           HA       LYS  90  20.922  -2.275  -2.275
  658   1HB   LYS  90          2HB       LYS  90  23.050  -1.011  -1.011
  659   2HB   LYS  90          1HB       LYS  90  22.227   0.436   0.436
  660   1HG   LYS  90          1HG       LYS  90  21.792  -0.702  -0.702
  661   2HG   LYS  90          2HG       LYS  90  22.430  -2.216  -2.216
  662   1HD   LYS  90          2HD       LYS  90  24.086  -1.182  -1.182
  663   2HD   LYS  90          1HD       LYS  90  24.675  -1.197  -1.197
  664   1HE   LYS  90          1HE       LYS  90  24.112   1.195   1.195
  665   2HE   LYS  90          2HE       LYS  90  23.363   1.213   1.213
  666   1HZ   LYS  90          3HZ       LYS  90  26.195   0.696   0.696
  667   2HZ   LYS  90          2HZ       LYS  90  25.566   2.098   2.098
  668   3HZ   LYS  90          1HZ       LYS  90  25.508   0.723   0.723
  669    H    LYS  91           HN       LYS  91  19.719   1.115   1.115
  670    HA   LYS  91           HA       LYS  91  18.144   0.663   0.663
  671   1HB   LYS  91          1HB       LYS  91  17.687   3.044   3.044
  672   2HB   LYS  91          2HB       LYS  91  19.422   2.722   2.722
  673   1HG   LYS  91          2HG       LYS  91  19.658   3.329   3.329
  674   2HG   LYS  91          1HG       LYS  91  17.907   3.208   3.208
  675   1HD   LYS  91          2HD       LYS  91  17.510   5.188   5.188
  676   2HD   LYS  91          1HD       LYS  91  19.242   5.304   5.304
  677   1HE   LYS  91          1HE       LYS  91  18.580   6.880   6.880
  678   2HE   LYS  91          2HE       LYS  91  19.747   5.685   5.685
  679   1HZ   LYS  91          3HZ       LYS  91  16.839   5.545   5.545
  680   2HZ   LYS  91          1HZ       LYS  91  17.942   6.042   6.042
  681   3HZ   LYS  91          2HZ       LYS  91  17.951   4.482   4.482
  682    H    ALA  92           H        ALA  92  17.500  -0.679  -0.679
  683    HA   ALA  92           HA       ALA  92  15.062   0.535   0.535
  684   1HB   ALA  92          3HB       ALA  92  16.221  -2.218  -2.218
  685   2HB   ALA  92          2HB       ALA  92  14.763  -1.642  -1.642
  686   3HB   ALA  92          1HB       ALA  92  16.310  -0.856  -0.856
  687    H    LYS  93           HN       LYS  93  14.372   0.845   0.845
  688    HA   LYS  93           HA       LYS  93  12.912  -1.384  -1.384
  689   1HB   LYS  93          1HB       LYS  93  12.654   0.216   0.216
  690   2HB   LYS  93          2HB       LYS  93  14.330   0.224   0.224
  691   1HG   LYS  93          1HG       LYS  93  13.597   2.275   2.275
  692   2HG   LYS  93          2HG       LYS  93  12.177   2.330   2.330
  693   1HD   LYS  93          2HD       LYS  93  13.671   2.526   2.526
  694   2HD   LYS  93          1HD       LYS  93  15.089   2.458   2.458
  695   1HE   LYS  93          2HE       LYS  93  12.931   4.622   4.622
  696   2HE   LYS  93          1HE       LYS  93  14.546   4.779   4.779
  697   1HZ   LYS  93          2HZ       LYS  93  15.461   4.384   4.384
  698   2HZ   LYS  93          1HZ       LYS  93  13.948   4.337   4.337
  699   3HZ   LYS  93          3HZ       LYS  93  14.504   5.728   5.728
  700    H    THR  94           H        THR  94  10.559  -0.441  -0.441
  701    HA   THR  94           HA       THR  94   9.346   1.486   1.486
  702    HB   THR  94           HB       THR  94   9.123  -0.538  -0.538
  703    HG1  THR  94           HG1      THR  94   7.459   1.090   1.090
  704   1HG2  THR  94          1HG2      THR  94   9.071  -2.285  -2.285
  705   2HG2  THR  94          3HG2      THR  94   7.486  -1.697  -1.697
  706   3HG2  THR  94          2HG2      THR  94   7.659  -2.395  -2.395
  707    H    GLY  95           H        GLY  95   7.358   2.206   2.206
  708   1HA   GLY  95          1HA       GLY  95   7.267   2.048   2.048
  709   2HA   GLY  95          2HA       GLY  95   6.053   2.777   2.777
  710    H    MET  96           H        MET  96   5.751   0.194   0.194
  711    HA   MET  96           HA       MET  96   3.559  -0.750  -0.750
  712   1HB   MET  96          1HB       MET  96   3.906  -0.798  -0.798
  713   2HB   MET  96          2HB       MET  96   4.920  -2.200  -2.200
  714   1HG   MET  96          1HG       MET  96   3.168  -3.532  -3.532
  715   2HG   MET  96          2HG       MET  96   2.244  -2.215  -2.215
  716   1HE   MET  96          3HE       MET  96   3.475  -2.993  -2.993
  717   2HE   MET  96          2HE       MET  96   2.765  -4.514  -4.514
  718   3HE   MET  96          1HE       MET  96   1.939  -3.584  -3.584
  719    H    ALA  97           H        ALA  97   4.534  -1.275  -1.275
  720    HA   ALA  97           HA       ALA  97   5.935  -3.814  -3.814
  721   1HB   ALA  97          1HB       ALA  97   6.187  -1.978  -1.978
  722   2HB   ALA  97          2HB       ALA  97   4.466  -2.099  -2.099
  723   3HB   ALA  97          3HB       ALA  97   5.569  -3.446  -3.446
  724    H    PHE  98           H        PHE  98   4.063  -4.611  -4.611
  725    HA   PHE  98           HA       PHE  98   2.401  -6.496  -6.496
  726   1HB   PHE  98          1HB       PHE  98   0.788  -4.782  -4.782
  727   2HB   PHE  98          2HB       PHE  98   1.305  -3.957  -3.957
  728    HD1  PHE  98           HD2      PHE  98   0.626  -4.629  -4.629
  729    HD2  PHE  98           HD1      PHE  98  -0.821  -6.734  -6.734
  730    HE1  PHE  98           HE2      PHE  98  -0.915  -5.901  -5.901
  731    HE2  PHE  98           HE1      PHE  98  -2.441  -7.948  -7.948
  732    HZ   PHE  98           HZ       PHE  98  -2.507  -7.540  -7.540
  733    H    LYS  99           HN       LYS  99   1.589  -8.073  -8.073
  734    HA   LYS  99           HA       LYS  99   2.027  -7.541  -7.541
  735   1HB   LYS  99          1HB       LYS  99   3.250  -9.556  -9.556
  736   2HB   LYS  99          2HB       LYS  99   4.178  -8.469  -8.469
  737   1HG   LYS  99          2HG       LYS  99   4.152  -9.863  -9.863
  738   2HG   LYS  99          1HG       LYS  99   2.744 -10.790 -10.790
  739   1HD   LYS  99          2HD       LYS  99   5.255 -10.747 -10.747
  740   2HD   LYS  99          1HD       LYS  99   5.190 -11.803 -11.803
  741   1HE   LYS  99          2HE       LYS  99   3.208 -12.947 -12.947
  742   2HE   LYS  99          1HE       LYS  99   3.071 -11.827 -11.827
  743   1HZ   LYS  99          1HZ       LYS  99   5.311 -13.660 -13.660
  744   2HZ   LYS  99          2HZ       LYS  99   4.097 -13.860 -13.860
  745   3HZ   LYS  99          3HZ       LYS  99   5.158 -12.611 -12.611
  746    H    LEU 100           H        LEU 100   1.239  -9.349  -9.349
  747    HA   LEU 100           HA       LEU 100  -1.207 -10.533 -10.533
  748   1HB   LEU 100          1HB       LEU 100  -1.611  -8.680  -8.680
  749   2HB   LEU 100          2HB       LEU 100  -0.672  -9.540  -9.540
  750    HG   LEU 100           HG       LEU 100  -2.275 -11.434 -11.434
  751   1HD1  LEU 100          1HD2      LEU 100  -3.713  -9.681  -9.681
  752   2HD1  LEU 100          2HD2      LEU 100  -4.517 -10.994 -10.994
  753   3HD1  LEU 100          3HD2      LEU 100  -3.186 -11.366 -11.366
  754   1HD2  LEU 100          2HD1      LEU 100  -2.538  -9.602  -9.602
  755   2HD2  LEU 100          1HD1      LEU 100  -4.114 -10.252 -10.252
  756   3HD2  LEU 100          3HD1      LEU 100  -3.541  -8.714  -8.714
  757    H    ALA 101           H        ALA 101  -0.901 -12.699 -12.699
  758    HA   ALA 101           HA       ALA 101   1.238 -14.019 -14.019
  759   1HB   ALA 101          2HB       ALA 101   0.899 -14.419 -14.419
  760   2HB   ALA 101          1HB       ALA 101  -0.739 -15.038 -15.038
  761   3HB   ALA 101          3HB       ALA 101   0.689 -15.910 -15.910
  762    H    LYS 102           HN       LYS 102  -0.278 -13.113 -13.113
  763    HA   LYS 102           HA       LYS 102  -1.597 -15.493 -15.493
  764   1HB   LYS 102          2HB       LYS 102  -2.824 -12.699 -12.699
  765   2HB   LYS 102          1HB       LYS 102  -3.348 -14.117 -14.117
  766   1HG   LYS 102          2HG       LYS 102  -3.940 -15.295 -15.295
  767   2HG   LYS 102          1HG       LYS 102  -3.391 -13.915 -13.915
  768   1HD   LYS 102          2HD       LYS 102  -5.842 -13.907 -13.907
  769   2HD   LYS 102          1HD       LYS 102  -5.101 -12.465 -12.465
  770   1HE   LYS 102          1HE       LYS 102  -6.952 -13.341 -13.341
  771   2HE   LYS 102          2HE       LYS 102  -5.433 -13.268 -13.268
  772   1HZ   LYS 102          2HZ       LYS 102  -6.587 -15.676 -15.676
  773   2HZ   LYS 102          1HZ       LYS 102  -6.591 -15.314 -15.314
  774   3HZ   LYS 102          3HZ       LYS 102  -5.167 -15.618 -15.618
  775    H    GLY 103           H        GLY 103  -1.797 -15.109 -15.109
  776   1HA   GLY 103          1HA       GLY 103   0.707 -14.190 -14.190
  777   2HA   GLY 103          2HA       GLY 103  -0.718 -14.663 -14.663
  778    H    GLY 104           H        GLY 104  -2.190 -12.481 -12.481
  779   1HA   GLY 104          1HA       GLY 104  -2.678 -10.269 -10.269
  780   2HA   GLY 104          2HA       GLY 104  -1.102  -9.971  -9.971
  781    H    GLU 105           HN       GLU 105  -2.696 -12.208 -12.208
  782    HA   GLU 105           HA       GLU 105  -3.053 -10.401 -10.401
  783   1HB   GLU 105          2HB       GLU 105  -4.070 -12.266 -12.266
  784   2HB   GLU 105          1HB       GLU 105  -2.660 -12.796 -12.796
  785   1HG   GLU 105          1HG       GLU 105  -5.597 -13.351 -13.351
  786   2HG   GLU 105          2HG       GLU 105  -4.288 -14.460 -14.460
  787    H    ASP 106           HN       ASP 106  -5.394 -11.724 -11.724
  788    HA   ASP 106           HA       ASP 106  -7.779 -10.669 -10.669
  789   1HB   ASP 106          1HB       ASP 106  -8.681 -11.095 -11.095
  790   2HB   ASP 106          2HB       ASP 106  -7.629 -12.430 -12.430
  791    H    VAL 107           H        VAL 107  -5.615  -9.380  -9.380
  792    HA   VAL 107           HA       VAL 107  -6.938  -6.907  -6.907
  793    HB   VAL 107           HB       VAL 107  -4.130  -7.990  -7.990
  794   1HG1  VAL 107          1HG2      VAL 107  -5.072  -5.222  -5.222
  795   2HG1  VAL 107          2HG2      VAL 107  -3.613  -6.069  -6.069
  796   3HG1  VAL 107          3HG2      VAL 107  -3.733  -5.607  -5.607
  797   1HG2  VAL 107          2HG1      VAL 107  -5.998  -8.824  -8.824
  798   2HG2  VAL 107          1HG1      VAL 107  -4.829  -7.875  -7.875
  799   3HG2  VAL 107          3HG1      VAL 107  -6.380  -7.153  -7.153
  800    H    ALA 108           H        ALA 108  -4.126  -7.675  -7.675
  801    HA   ALA 108           HA       ALA 108  -3.804  -5.060  -5.060
  802   1HB   ALA 108          1HB       ALA 108  -2.157  -6.869  -6.869
  803   2HB   ALA 108          3HB       ALA 108  -3.289  -7.742  -7.742
  804   3HB   ALA 108          2HB       ALA 108  -2.642  -6.165  -6.165
  805    H    ALA 109           H        ALA 109  -5.810  -7.763  -7.763
  806    HA   ALA 109           HA       ALA 109  -6.924  -6.388  -6.388
  807   1HB   ALA 109          1HB       ALA 109  -7.084  -8.806  -8.806
  808   2HB   ALA 109          2HB       ALA 109  -8.154  -8.587  -8.587
  809   3HB   ALA 109          3HB       ALA 109  -8.690  -8.088  -8.088
  810    H    TYR 110           H        TYR 110  -8.039  -6.586  -6.586
  811    HA   TYR 110           HA       TYR 110 -10.397  -5.057  -5.057
  812   1HB   TYR 110          2HB       TYR 110 -10.185  -6.289  -6.289
  813   2HB   TYR 110          1HB       TYR 110  -8.643  -5.552  -5.552
  814    HD1  TYR 110           HD2      TYR 110 -12.185  -4.487  -4.487
  815    HD2  TYR 110           HD1      TYR 110  -8.635  -3.839  -3.839
  816    HE1  TYR 110           HE2      TYR 110 -13.361  -2.730  -2.730
  817    HE2  TYR 110           HE1      TYR 110  -9.804  -2.055  -2.055
  818    HH   TYR 110           HH       TYR 110 -11.821  -1.052  -1.052
  819    H    LEU 111           H        LEU 111  -7.057  -3.952  -3.952
  820    HA   LEU 111           HA       LEU 111  -7.793  -1.189  -1.189
  821   1HB   LEU 111          1HB       LEU 111  -5.108  -2.458  -2.458
  822   2HB   LEU 111          2HB       LEU 111  -5.376  -0.736  -0.736
  823    HG   LEU 111           HG       LEU 111  -5.827  -2.998  -2.998
  824   1HD1  LEU 111          2HD2      LEU 111  -3.474  -2.370  -2.370
  825   2HD1  LEU 111          3HD2      LEU 111  -3.850  -0.679  -0.679
  826   3HD1  LEU 111          1HD2      LEU 111  -3.974  -1.934  -1.934
  827   1HD2  LEU 111          3HD1      LEU 111  -6.406  -0.017  -0.017
  828   2HD2  LEU 111          2HD1      LEU 111  -7.523  -1.370  -1.370
  829   3HD2  LEU 111          1HD1      LEU 111  -6.188  -1.080  -1.080
  830    H    ALA 112           H        ALA 112  -6.523  -3.132  -3.132
  831    HA   ALA 112           HA       ALA 112  -6.490  -1.070  -1.070
  832   1HB   ALA 112          3HB       ALA 112  -5.513  -3.295  -3.295
  833   2HB   ALA 112          1HB       ALA 112  -7.133  -4.022  -4.022
  834   3HB   ALA 112          2HB       ALA 112  -6.638  -2.874  -2.874
  835    H    SER 113           H        SER 113  -9.193  -3.188  -3.188
  836    HA   SER 113           HA       SER 113 -11.107  -2.152  -2.152
  837   1HB   SER 113          1HB       SER 113 -11.620  -3.399  -3.399
  838   2HB   SER 113          2HB       SER 113 -12.771  -3.229  -3.229
  839    HG   SER 113           HG       SER 113 -10.357  -4.746  -4.746
  840    H    VAL 114           H        VAL 114 -10.176  -1.162  -1.162
  841    HA   VAL 114           HA       VAL 114 -12.322   0.585   0.585
  842    HB   VAL 114           HB       VAL 114  -9.615  -0.037  -0.037
  843   1HG1  VAL 114          1HG2      VAL 114 -10.997   2.513   2.513
  844   2HG1  VAL 114          2HG2      VAL 114  -9.636   1.713   1.713
  845   3HG1  VAL 114          3HG2      VAL 114  -9.391   2.369   2.369
  846   1HG2  VAL 114          1HG1      VAL 114 -11.713  -1.158  -1.158
  847   2HG2  VAL 114          3HG1      VAL 114 -10.878  -0.328  -0.328
  848   3HG2  VAL 114          2HG1      VAL 114 -12.322   0.402   0.402
  849    H    VAL 115           H        VAL 115  -9.153   1.247   1.247
  850    HA   VAL 115           HA       VAL 115  -9.595   4.089   4.089
  851    HB   VAL 115           HB       VAL 115  -7.438   3.214   3.214
  852   1HG1  VAL 115          2HG2      VAL 115  -7.507   1.248   1.248
  853   2HG1  VAL 115          3HG2      VAL 115  -7.718   2.231   2.231
  854   3HG1  VAL 115          1HG2      VAL 115  -6.219   2.329   2.329
  855   1HG2  VAL 115          2HG1      VAL 115  -7.793   5.496   5.496
  856   2HG2  VAL 115          3HG1      VAL 115  -6.339   4.752   4.752
  857   3HG2  VAL 115          1HG1      VAL 115  -7.806   4.877   4.877
  858    H    LYS 116           HN       LYS 116 -11.768   4.229   4.229
  859    HA   LYS 116           HA       LYS 116 -11.854   5.088   5.088
  860   1HB   LYS 116          2HB       LYS 116 -13.419   3.739   3.739
  861   2HB   LYS 116          1HB       LYS 116 -12.511   2.566   2.566
  862   1HG   LYS 116          1HG       LYS 116 -15.289   3.691   3.691
  863   2HG   LYS 116          2HG       LYS 116 -14.817   2.091   2.091
  864   1HD   LYS 116          2HD       LYS 116 -15.312   1.670   1.670
  865   2HD   LYS 116          1HD       LYS 116 -13.565   1.875   1.875
  866   1HE   LYS 116          1HE       LYS 116 -14.960   2.905   2.905
  867   2HE   LYS 116          2HE       LYS 116 -13.791   3.979   3.979
  868   1HZ   LYS 116          2HZ       LYS 116 -16.636   3.934   3.934
  869   2HZ   LYS 116          3HZ       LYS 116 -15.910   5.012   5.012
  870   3HZ   LYS 116          1HZ       LYS 116 -15.481   4.980   4.980
  871    HHA  HEC 117           HHA      HEM 117   2.851   2.355   2.355
  872    HHB  HEC 117           HHB      HEM 117  -1.154  -2.008  -2.008
  873    HHC  HEC 117           HHC      HEM 117  -2.642  -3.784  -3.784
  874    HHD  HEC 117           HHD      HEM 117   1.371   0.665   0.665
  875   1HMA  HEC 117          1HMA      HEM 117   1.390  -0.128  -0.128
  876   2HMA  HEC 117          2HMA      HEM 117   0.751  -1.682  -1.682
  877   3HMA  HEC 117          3HMA      HEM 117  -0.353  -0.295  -0.295
  878   1HAA  HEC 117          1HAA      HEM 117   3.214   2.227   2.227
  879   2HAA  HEC 117          2HAA      HEM 117   2.886   1.262   1.262
  880   1HBA  HEC 117          1HBA      HEM 117   0.916   3.315   3.315
  881   2HBA  HEC 117          2HBA      HEM 117   0.869   2.479   2.479
  882   1HMB  HEC 117          1HMB      HEM 117  -3.531  -2.714  -2.714
  883   2HMB  HEC 117          2HMB      HEM 117  -2.508  -4.152  -4.152
  884   3HMB  HEC 117          3HMB      HEM 117  -4.094  -4.245  -4.245
  885    HAB  HEC 117           HAB      HEM 117  -3.755  -5.005  -5.005
  886   1HBB  HEC 117          1HBB      HEM 117  -3.666  -6.169  -6.169
  887   2HBB  HEC 117          2HBB      HEM 117  -2.483  -6.514  -6.514
  888   3HBB  HEC 117          3HBB      HEM 117  -4.193  -6.946  -6.946
  889   1HMC  HEC 117          1HMC      HEM 117  -2.392  -4.131  -4.131
  890   2HMC  HEC 117          2HMC      HEM 117  -3.503  -2.747  -2.747
  891   3HMC  HEC 117          3HMC      HEM 117  -2.397  -3.018  -3.018
  892    HAC  HEC 117           HAC      HEM 117  -0.735  -1.809  -1.809
  893   1HBC  HEC 117          1HBC      HEM 117   1.522  -0.678  -0.678
  894   2HBC  HEC 117          2HBC      HEM 117   0.559  -0.283  -0.283
  895   3HBC  HEC 117          3HBC      HEM 117   0.596   0.866   0.866
  896   1HMD  HEC 117          1HMD      HEM 117   2.029   3.222   3.222
  897   2HMD  HEC 117          2HMD      HEM 117   3.685   3.469   3.469
  898   3HMD  HEC 117          3HMD      HEM 117   3.255   1.975   1.975
  899   1HAD  HEC 117          1HAD      HEM 117   4.212   4.013   4.013
  900   2HAD  HEC 117          2HAD      HEM 117   3.542   4.039   4.039
  901   1HBD  HEC 117          1HBD      HEM 117   5.395   1.822   1.822
  902   2HBD  HEC 117          2HBD      HEM 117   5.065   2.344   2.344

  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  -7.368 -11.107 -11.107
    2   2H    GLY   1          2H        GLY   1  -7.551 -12.780 -12.780
    3   1HA   GLY   1          1HA       GLY   1  -7.077 -12.979 -12.979
    4   2HA   GLY   1          2HA       GLY   1  -6.838 -11.226 -11.226
    5    H    ASP   2           HN       ASP   2  -8.771 -12.931 -12.931
    6    HA   ASP   2           HA       ASP   2 -11.411 -12.436 -12.436
    7   1HB   ASP   2          1HB       ASP   2 -10.867 -14.479 -14.479
    8   2HB   ASP   2          2HB       ASP   2 -10.669 -13.487 -13.487
    9    H    ALA   3           H        ALA   3 -11.400 -10.215 -10.215
   10    HA   ALA   3           HA       ALA   3 -10.824  -8.244  -8.244
   11   1HB   ALA   3          1HB       ALA   3 -11.580  -7.843  -7.843
   12   2HB   ALA   3          3HB       ALA   3 -13.230  -8.356  -8.356
   13   3HB   ALA   3          2HB       ALA   3 -12.544  -6.878  -6.878
   14    H    ALA   4           H        ALA   4 -13.672 -10.397 -10.397
   15    HA   ALA   4           HA       ALA   4 -15.082  -8.707  -8.707
   16   1HB   ALA   4          3HB       ALA   4 -16.228 -10.442 -10.442
   17   2HB   ALA   4          1HB       ALA   4 -15.380 -11.709 -11.709
   18   3HB   ALA   4          2HB       ALA   4 -16.499 -10.619 -10.619
   19    H    LYS   5           HN       LYS   5 -13.096 -11.747 -11.747
   20    HA   LYS   5           HA       LYS   5 -12.921 -11.547 -11.547
   21   1HB   LYS   5          1HB       LYS   5 -10.846 -12.670 -12.670
   22   2HB   LYS   5          2HB       LYS   5 -10.956 -12.960 -12.960
   23   1HG   LYS   5          2HG       LYS   5 -13.484 -13.607 -13.607
   24   2HG   LYS   5          1HG       LYS   5 -12.762 -13.963 -13.963
   25   1HD   LYS   5          2HD       LYS   5 -11.756 -15.119 -15.119
   26   2HD   LYS   5          1HD       LYS   5 -12.860 -15.957 -15.957
   27   1HE   LYS   5          1HE       LYS   5 -10.084 -14.990 -14.990
   28   2HE   LYS   5          2HE       LYS   5 -10.423 -16.614 -16.614
   29   1HZ   LYS   5          2HZ       LYS   5 -11.705 -15.451 -15.451
   30   2HZ   LYS   5          1HZ       LYS   5 -10.439 -16.506 -16.506
   31   3HZ   LYS   5          3HZ       LYS   5 -11.903 -16.975 -16.975
   32    H    GLY   6           H        GLY   6 -10.888 -10.065 -10.065
   33   1HA   GLY   6          1HA       GLY   6  -8.952  -8.815  -8.815
   34   2HA   GLY   6          2HA       GLY   6  -9.627  -8.146  -8.146
   35    H    GLU   7           HN       GLU   7 -12.191  -7.520  -7.520
   36    HA   GLU   7           HA       GLU   7 -12.091  -5.089  -5.089
   37   1HB   GLU   7          1HB       GLU   7 -13.847  -5.753  -5.753
   38   2HB   GLU   7          2HB       GLU   7 -14.518  -6.885  -6.885
   39   1HG   GLU   7          1HG       GLU   7 -15.073  -5.062  -5.062
   40   2HG   GLU   7          2HG       GLU   7 -14.311  -3.883  -3.883
   41    H    LYS   8           HN       LYS   8 -13.310  -8.273  -8.273
   42    HA   LYS   8           HA       LYS   8 -14.045  -7.400  -7.400
   43   1HB   LYS   8          1HB       LYS   8 -13.133 -10.149 -10.149
   44   2HB   LYS   8          2HB       LYS   8 -13.903  -9.800  -9.800
   45   1HG   LYS   8          1HG       LYS   8 -15.928  -8.991  -8.991
   46   2HG   LYS   8          2HG       LYS   8 -15.171  -9.239  -9.239
   47   1HD   LYS   8          1HD       LYS   8 -14.933 -11.692 -11.692
   48   2HD   LYS   8          2HD       LYS   8 -15.778 -11.403 -11.403
   49   1HE   LYS   8          2HE       LYS   8 -17.359 -12.271 -12.271
   50   2HE   LYS   8          1HE       LYS   8 -17.773 -10.586 -10.586
   51   1HZ   LYS   8          3HZ       LYS   8 -16.254 -11.525 -11.525
   52   2HZ   LYS   8          1HZ       LYS   8 -17.840 -11.076 -11.076
   53   3HZ   LYS   8          2HZ       LYS   8 -16.668  -9.961  -9.961
   54    H    GLU   9           HN       GLU   9 -10.967  -8.954  -8.954
   55    HA   GLU   9           HA       GLU   9  -9.598  -8.975  -8.975
   56   1HB   GLU   9          1HB       GLU   9  -8.894  -8.951  -8.951
   57   2HB   GLU   9          2HB       GLU   9  -7.699  -9.065  -9.065
   58   1HG   GLU   9          2HG       GLU   9  -8.791 -11.107 -11.107
   59   2HG   GLU   9          1HG       GLU   9  -9.987 -11.040 -11.040
   60    H    PHE  10           H        PHE  10 -10.140  -6.333  -6.333
   61    HA   PHE  10           HA       PHE  10  -8.062  -4.667  -4.667
   62   1HB   PHE  10          2HB       PHE  10  -9.747  -4.290  -4.290
   63   2HB   PHE  10          1HB       PHE  10 -10.824  -3.621  -3.621
   64    HD1  PHE  10           HD1      PHE  10  -7.526  -3.233  -3.233
   65    HD2  PHE  10           HD2      PHE  10 -10.339  -1.425  -1.425
   66    HE1  PHE  10           HE1      PHE  10  -6.214  -1.136  -1.136
   67    HE2  PHE  10           HE2      PHE  10  -9.020   0.683   0.683
   68    HZ   PHE  10           HZ       PHE  10  -6.975   0.835   0.835
   69    H    ASN  11           H        ASN  11 -10.785  -5.749  -5.749
   70    HA   ASN  11           HA       ASN  11 -10.952  -3.673  -3.673
   71   1HB   ASN  11          1HB       ASN  11 -11.839  -5.258  -5.258
   72   2HB   ASN  11          2HB       ASN  11 -12.455  -5.665  -5.665
   73   1HD2  ASN  11          2HD2      ASN  11 -11.221  -8.725  -8.725
   74   2HD2  ASN  11          1HD2      ASN  11 -12.265  -7.390  -7.390
   75    H    LYS  12           HN       LYS  12  -8.433  -6.174  -6.174
   76    HA   LYS  12           HA       LYS  12  -7.027  -5.628  -5.628
   77   1HB   LYS  12          1HB       LYS  12  -6.099  -6.758  -6.758
   78   2HB   LYS  12          2HB       LYS  12  -5.120  -6.728  -6.728
   79   1HG   LYS  12          2HG       LYS  12  -6.727  -8.088  -8.088
   80   2HG   LYS  12          1HG       LYS  12  -7.853  -8.081  -8.081
   81   1HD   LYS  12          1HD       LYS  12  -5.068  -9.315  -9.315
   82   2HD   LYS  12          2HD       LYS  12  -6.556 -10.192 -10.192
   83   1HE   LYS  12          1HE       LYS  12  -7.534  -9.337  -9.337
   84   2HE   LYS  12          2HE       LYS  12  -5.901  -8.807  -8.807
   85   1HZ   LYS  12          1HZ       LYS  12  -5.207 -11.104 -11.104
   86   2HZ   LYS  12          2HZ       LYS  12  -6.758 -11.547 -11.547
   87   3HZ   LYS  12          3HZ       LYS  12  -6.363 -10.965 -10.965
   88    H    CYS  13           H        CYS  13  -6.609  -4.501  -4.501
   89    HA   CYS  13           HA       CYS  13  -4.420  -2.782  -2.782
   90   1HB   CYS  13          1HB       CYS  13  -6.730  -2.215  -2.215
   91   2HB   CYS  13          2HB       CYS  13  -5.042  -1.726  -1.726
   92    H    LYS  14           HN       LYS  14  -7.867  -2.118  -2.118
   93    HA   LYS  14           HA       LYS  14  -7.983   0.558   0.558
   94   1HB   LYS  14          1HB       LYS  14  -9.863  -1.089  -1.089
   95   2HB   LYS  14          2HB       LYS  14  -9.567  -1.586  -1.586
   96   1HG   LYS  14          1HG       LYS  14 -10.110   0.682   0.682
   97   2HG   LYS  14          2HG       LYS  14 -10.366   1.189   1.189
   98   1HD   LYS  14          2HD       LYS  14 -12.165  -0.547  -0.547
   99   2HD   LYS  14          1HD       LYS  14 -11.962  -0.945  -0.945
  100   1HE   LYS  14          2HE       LYS  14 -12.715   1.818   1.818
  101   2HE   LYS  14          1HE       LYS  14 -13.875   0.634   0.634
  102   1HZ   LYS  14          3HZ       LYS  14 -11.667   1.747   1.747
  103   2HZ   LYS  14          1HZ       LYS  14 -13.200   2.321   2.321
  104   3HZ   LYS  14          2HZ       LYS  14 -12.888   0.784   0.784
  105    H    THR  15           H        THR  15  -6.734  -1.834  -1.834
  106    HA   THR  15           HA       THR  15  -6.942  -0.415  -0.415
  107    HB   THR  15           HB       THR  15  -4.600  -2.157  -2.157
  108    HG1  THR  15           HG1      THR  15  -6.376  -3.357  -3.357
  109   1HG2  THR  15          1HG2      THR  15  -5.817  -1.605  -1.605
  110   2HG2  THR  15          2HG2      THR  15  -4.533  -2.779  -2.779
  111   3HG2  THR  15          3HG2      THR  15  -4.225  -1.048  -1.048
  112    H    CYS  16           H        CYS  16  -4.659  -0.009  -0.009
  113    HA   CYS  16           HA       CYS  16  -3.374   2.286   2.286
  114   1HB   CYS  16          1HB       CYS  16  -2.268   0.402   0.402
  115   2HB   CYS  16          2HB       CYS  16  -1.530   1.947   1.947
  116    H    HIS  17           HN       HIS  17  -4.817   1.125   1.125
  117    HA   HIS  17           HA       HIS  17  -4.250   3.725   3.725
  118   1HB   HIS  17          2HB       HIS  17  -5.127   1.013   1.013
  119   2HB   HIS  17          1HB       HIS  17  -4.737   2.408   2.408
  120    HD1  HIS  17           HD1      HIS  17  -2.328   3.325   3.325
  121    HD2  HIS  17           HD2      HIS  17  -2.729  -0.522  -0.522
  122    HE1  HIS  17           HE1      HIS  17  -0.134   2.151   2.151
  123    H    SER  18           H        SER  18  -5.951   3.922   3.922
  124    HA   SER  18           HA       SER  18  -8.744   3.424   3.424
  125   1HB   SER  18          1HB       SER  18  -7.517   6.219   6.219
  126   2HB   SER  18          2HB       SER  18  -9.247   5.906   5.906
  127    HG   SER  18           HG       SER  18  -7.625   5.314   5.314
  128    H    ILE  19           H        ILE  19 -10.127   4.480   4.480
  129    HA   ILE  19           HA       ILE  19  -8.819   4.572   4.572
  130    HB   ILE  19           HB       ILE  19 -10.752   2.448   2.448
  131   1HG1  ILE  19          1HG1      ILE  19  -8.789   2.573   2.573
  132   2HG1  ILE  19          2HG1      ILE  19  -8.331   2.124   2.124
  133   1HG2  ILE  19          1HG2      ILE  19 -11.005   3.881   3.881
  134   2HG2  ILE  19          2HG2      ILE  19 -11.687   2.277   2.277
  135   3HG2  ILE  19          3HG2      ILE  19 -12.256   3.665   3.665
  136   1HD1  ILE  19          3HD1      ILE  19 -10.033   0.271   0.271
  137   2HD1  ILE  19          1HD1      ILE  19 -10.261   0.609   0.609
  138   3HD1  ILE  19          2HD1      ILE  19  -8.681   0.097   0.097
  139    H    ILE  20           H        ILE  20  -9.740   6.154   6.154
  140    HA   ILE  20           HA       ILE  20 -11.887   7.789   7.789
  141    HB   ILE  20           HB       ILE  20  -9.331   8.546   8.546
  142   1HG1  ILE  20          2HG1      ILE  20 -10.188  10.983  10.983
  143   2HG1  ILE  20          1HG1      ILE  20 -11.773  10.199  10.199
  144   1HG2  ILE  20          1HG2      ILE  20  -8.947   8.166   8.166
  145   2HG2  ILE  20          2HG2      ILE  20 -10.009   9.546   9.546
  146   3HG2  ILE  20          3HG2      ILE  20  -8.521   9.772   9.772
  147   1HD1  ILE  20          1HD1      ILE  20 -11.227   9.339   9.339
  148   2HD1  ILE  20          2HD1      ILE  20  -9.712  10.254  10.254
  149   3HD1  ILE  20          3HD1      ILE  20 -11.260  11.117  11.117
  150    H    ALA  21           H        ALA  21 -13.417   8.717   8.717
  151    HA   ALA  21           HA       ALA  21 -13.507   7.420   7.420
  152   1HB   ALA  21          3HB       ALA  21 -15.166   9.687   9.687
  153   2HB   ALA  21          1HB       ALA  21 -15.527   8.831   8.831
  154   3HB   ALA  21          2HB       ALA  21 -15.600   7.963   7.963
  155    HA   PRO  22           HA       PRO  22 -11.346  10.706  10.706
  156   1HB   PRO  22          1HB       PRO  22 -13.815  10.823  10.823
  157   2HB   PRO  22          2HB       PRO  22 -12.097  10.793  10.793
  158   1HG   PRO  22          2HG       PRO  22 -13.556   8.526   8.526
  159   2HG   PRO  22          1HG       PRO  22 -11.919   8.477   8.477
  160   1HD   PRO  22          2HD       PRO  22 -14.574   8.602   8.602
  161   2HD   PRO  22          1HD       PRO  22 -13.180   7.527   7.527
  162    H    ASP  23           HN       ASP  23 -14.830  11.064  11.064
  163    HA   ASP  23           HA       ASP  23 -15.057  13.849  13.849
  164   1HB   ASP  23          1HB       ASP  23 -16.740  11.806  11.806
  165   2HB   ASP  23          2HB       ASP  23 -17.251  13.390  13.390
  166    H    GLY  24           H        GLY  24 -13.174  12.093  12.093
  167   1HA   GLY  24          1HA       GLY  24 -12.162  12.870  12.870
  168   2HA   GLY  24          2HA       GLY  24 -13.341  14.178  14.178
  169    H    THR  25           H        THR  25 -15.534  11.919  11.919
  170    HA   THR  25           HA       THR  25 -16.280  11.662  11.662
  171    HB   THR  25           HB       THR  25 -16.880   9.536   9.536
  172    HG1  THR  25           HG1      THR  25 -17.787  12.226  12.226
  173   1HG2  THR  25          1HG2      THR  25 -18.628  11.017  11.017
  174   2HG2  THR  25          3HG2      THR  25 -19.154   9.742   9.742
  175   3HG2  THR  25          2HG2      THR  25 -18.009   9.359   9.359
  176    H    GLU  26           HN       GLU  26 -15.420  10.591  10.591
  177    HA   GLU  26           HA       GLU  26 -13.313   8.678   8.678
  178   1HB   GLU  26          2HB       GLU  26 -15.003   9.322   9.322
  179   2HB   GLU  26          1HB       GLU  26 -13.386   8.597   8.597
  180   1HG   GLU  26          1HG       GLU  26 -12.580  10.755  10.755
  181   2HG   GLU  26          2HG       GLU  26 -14.163  11.460  11.460
  182    H    ILE  27           H        ILE  27 -14.435   7.170   7.170
  183    HA   ILE  27           HA       ILE  27 -16.625   5.580   5.580
  184    HB   ILE  27           HB       ILE  27 -14.186   4.709   4.709
  185   1HG1  ILE  27          1HG1      ILE  27 -15.065   6.650   6.650
  186   2HG1  ILE  27          2HG1      ILE  27 -15.529   5.250   5.250
  187   1HG2  ILE  27          2HG2      ILE  27 -16.985   3.519   3.519
  188   2HG2  ILE  27          1HG2      ILE  27 -15.771   3.091   3.091
  189   3HG2  ILE  27          3HG2      ILE  27 -15.465   2.750   2.750
  190   1HD1  ILE  27          3HD1      ILE  27 -17.827   5.347   5.347
  191   2HD1  ILE  27          1HD1      ILE  27 -17.332   6.863   6.863
  192   3HD1  ILE  27          2HD1      ILE  27 -17.412   6.764   6.764
  193    H    VAL  28           H        VAL  28 -13.124   4.731   4.731
  194    HA   VAL  28           HA       VAL  28 -14.115   2.848   2.848
  195    HB   VAL  28           HB       VAL  28 -11.416   2.874   2.874
  196   1HG1  VAL  28          2HG1      VAL  28 -12.691   1.077   1.077
  197   2HG1  VAL  28          1HG1      VAL  28 -11.174   0.721   0.721
  198   3HG1  VAL  28          3HG1      VAL  28 -11.278   2.137   2.137
  199   1HG2  VAL  28          2HG2      VAL  28 -13.794   0.970   0.970
  200   2HG2  VAL  28          3HG2      VAL  28 -13.179   2.023   2.023
  201   3HG2  VAL  28          1HG2      VAL  28 -12.183   0.685   0.685
  202    H    LYS  29           HN       LYS  29 -14.457   4.207   4.207
  203    HA   LYS  29           HA       LYS  29 -12.712   6.399   6.399
  204   1HB   LYS  29          1HB       LYS  29 -14.980   5.017   5.017
  205   2HB   LYS  29          2HB       LYS  29 -14.209   6.552   6.552
  206   1HG   LYS  29          1HG       LYS  29 -14.925   7.518   7.518
  207   2HG   LYS  29          2HG       LYS  29 -15.764   6.006   6.006
  208   1HD   LYS  29          2HD       LYS  29 -17.190   6.276   6.276
  209   2HD   LYS  29          1HD       LYS  29 -16.370   7.809   7.809
  210   1HE   LYS  29          2HE       LYS  29 -17.114   8.740   8.740
  211   2HE   LYS  29          1HE       LYS  29 -17.910   7.206   7.206
  212   1HZ   LYS  29          3HZ       LYS  29 -19.332   7.534   7.534
  213   2HZ   LYS  29          1HZ       LYS  29 -18.589   8.961   8.961
  214   3HZ   LYS  29          2HZ       LYS  29 -19.442   8.809   8.809
  215    H    GLY  30           H        GLY  30 -10.802   4.824   4.824
  216   1HA   GLY  30          1HA       GLY  30 -10.359   3.115   3.115
  217   2HA   GLY  30          2HA       GLY  30  -9.395   3.207   3.207
  218    H    ALA  31           H        ALA  31  -7.542   3.465   3.465
  219    HA   ALA  31           HA       ALA  31  -7.283   6.072   6.072
  220   1HB   ALA  31          1HB       ALA  31  -6.656   4.018   4.018
  221   2HB   ALA  31          2HB       ALA  31  -5.467   3.638   3.638
  222   3HB   ALA  31          3HB       ALA  31  -5.270   5.091   5.091
  223    H    LYS  32           HN       LYS  32  -4.925   6.952   6.952
  224    HA   LYS  32           HA       LYS  32  -4.049   6.759   6.759
  225   1HB   LYS  32          1HB       LYS  32  -5.424   8.881   8.881
  226   2HB   LYS  32          2HB       LYS  32  -4.126   9.370   9.370
  227   1HG   LYS  32          1HG       LYS  32  -3.774  10.481  10.481
  228   2HG   LYS  32          2HG       LYS  32  -2.533   9.236   9.236
  229   1HD   LYS  32          1HD       LYS  32  -3.955   7.773   7.773
  230   2HD   LYS  32          2HD       LYS  32  -5.130   9.089   9.089
  231   1HE   LYS  32          2HE       LYS  32  -2.198   9.206   9.206
  232   2HE   LYS  32          1HE       LYS  32  -3.572   8.946   8.946
  233   1HZ   LYS  32          2HZ       LYS  32  -4.378  11.129  11.129
  234   2HZ   LYS  32          1HZ       LYS  32  -2.975  11.350  11.350
  235   3HZ   LYS  32          3HZ       LYS  32  -2.917  11.181  11.181
  236    H    THR  33           H        THR  33  -3.228   5.236   5.236
  237    HA   THR  33           HA       THR  33  -0.784   6.304   6.304
  238    HB   THR  33           HB       THR  33  -1.433   3.378   3.378
  239    HG1  THR  33           HG1      THR  33  -2.877   3.606   3.606
  240   1HG2  THR  33          1HG2      THR  33   0.624   4.114   4.114
  241   2HG2  THR  33          3HG2      THR  33  -0.368   5.077   5.077
  242   3HG2  THR  33          2HG2      THR  33  -0.509   3.307   3.307
  243    H    GLY  34           H        GLY  34  -1.918   4.459   4.459
  244   1HA   GLY  34          1HA       GLY  34   0.795   4.617   4.617
  245   2HA   GLY  34          2HA       GLY  34  -0.410   3.357   3.357
  246    HA   PRO  35           HA       PRO  35  -1.281   7.248   7.248
  247   1HB   PRO  35          1HB       PRO  35  -0.777   6.123   6.123
  248   2HB   PRO  35          2HB       PRO  35   0.446   6.938   6.938
  249   1HG   PRO  35          2HG       PRO  35  -0.159   3.974   3.974
  250   2HG   PRO  35          1HG       PRO  35   1.427   4.752   4.752
  251   1HD   PRO  35          1HD       PRO  35   0.878   3.839   3.839
  252   2HD   PRO  35          2HD       PRO  35   1.498   5.487   5.487
  253    H    ASN  36           H        ASN  36  -2.809   6.989   6.989
  254    HA   ASN  36           HA       ASN  36  -5.038   5.133   5.133
  255   1HB   ASN  36          1HB       ASN  36  -5.367   7.518   7.518
  256   2HB   ASN  36          2HB       ASN  36  -4.984   7.904   7.904
  257   1HD2  ASN  36          1HD2      ASN  36  -8.158   6.870   6.870
  258   2HD2  ASN  36          2HD2      ASN  36  -6.525   7.225   7.225
  259    H    LEU  37           H        LEU  37  -4.632   3.316   3.316
  260    HA   LEU  37           HA       LEU  37  -3.231   3.637   3.637
  261   1HB   LEU  37          2HB       LEU  37  -5.053   1.352   1.352
  262   2HB   LEU  37          1HB       LEU  37  -3.672   1.285   1.285
  263    HG   LEU  37           HG       LEU  37  -2.921   0.383   0.383
  264   1HD1  LEU  37          3HD2      LEU  37  -1.332   2.129   2.129
  265   2HD1  LEU  37          2HD2      LEU  37  -1.975   3.234   3.234
  266   3HD1  LEU  37          1HD2      LEU  37  -1.147   1.749   1.749
  267   1HD2  LEU  37          2HD1      LEU  37  -4.810   1.116   1.116
  268   2HD2  LEU  37          1HD1      LEU  37  -3.234   0.679   0.679
  269   3HD2  LEU  37          3HD1      LEU  37  -3.663   2.393   2.393
  270    H    TYR  38           H        TYR  38  -6.370   4.774   4.774
  271    HA   TYR  38           HA       TYR  38  -7.587   3.484   3.484
  272   1HB   TYR  38          1HB       TYR  38  -8.815   4.911   4.911
  273   2HB   TYR  38          2HB       TYR  38  -7.877   6.320   6.320
  274    HD1  TYR  38           HD1      TYR  38 -10.411   3.845   3.845
  275    HD2  TYR  38           HD2      TYR  38  -8.288   7.393   7.393
  276    HE1  TYR  38           HE1      TYR  38 -11.954   4.128   4.128
  277    HE2  TYR  38           HE2      TYR  38  -9.668   7.529   7.529
  278    HH   TYR  38           HH       TYR  38 -11.370   6.386   6.386
  279    H    GLY  39           H        GLY  39  -6.518   3.298   3.298
  280   1HA   GLY  39          1HA       GLY  39  -5.770   4.092   4.092
  281   2HA   GLY  39          2HA       GLY  39  -5.614   5.732   5.732
  282    H    VAL  40           H        VAL  40  -4.201   3.135   3.135
  283    HA   VAL  40           HA       VAL  40  -1.538   4.038   4.038
  284    HB   VAL  40           HB       VAL  40  -2.450   2.636   2.636
  285   1HG1  VAL  40          2HG2      VAL  40  -3.629   0.909   0.909
  286   2HG1  VAL  40          1HG2      VAL  40  -2.047   0.316   0.316
  287   3HG1  VAL  40          3HG2      VAL  40  -2.489   0.192   0.192
  288   1HG2  VAL  40          3HG1      VAL  40  -0.007   2.920   2.920
  289   2HG2  VAL  40          1HG1      VAL  40  -0.457   1.366   1.366
  290   3HG2  VAL  40          2HG1      VAL  40   0.035   1.437   1.437
  291    H    VAL  41           H        VAL  41  -3.457   1.616   1.616
  292    HA   VAL  41           HA       VAL  41  -1.399   0.325   0.325
  293    HB   VAL  41           HB       VAL  41  -4.333   0.658   0.658
  294   1HG1  VAL  41          2HG2      VAL  41  -2.226  -1.275  -1.275
  295   2HG1  VAL  41          1HG2      VAL  41  -3.975  -1.401  -1.401
  296   3HG1  VAL  41          3HG2      VAL  41  -3.079  -0.026  -0.026
  297   1HG2  VAL  41          2HG1      VAL  41  -2.689  -1.483  -1.483
  298   2HG2  VAL  41          1HG1      VAL  41  -3.905  -0.429  -0.429
  299   3HG2  VAL  41          3HG1      VAL  41  -4.405  -1.646  -1.646
  300    H    GLY  42           H        GLY  42   0.023   1.328   1.328
  301   1HA   GLY  42          1HA       GLY  42   0.894   2.107   2.107
  302   2HA   GLY  42          2HA       GLY  42  -0.628   2.941   2.941
  303    H    ARG  43           HN       ARG  43  -0.065   3.630   3.630
  304    HA   ARG  43           HA       ARG  43   1.014   6.293   6.293
  305   1HB   ARG  43          2HB       ARG  43  -1.129   6.074   6.074
  306   2HB   ARG  43          1HB       ARG  43  -0.433   5.321   5.321
  307   1HG   ARG  43          1HG       ARG  43   0.418   8.095   8.095
  308   2HG   ARG  43          2HG       ARG  43  -1.069   7.851   7.851
  309   1HD   ARG  43          1HD       ARG  43   1.694   7.090   7.090
  310   2HD   ARG  43          2HD       ARG  43   0.769   8.471   8.471
  311    HE   ARG  43           HE       ARG  43  -0.936   6.401   6.401
  312   1HH1  ARG  43          2HH2      ARG  43   2.503   6.749   6.749
  313   2HH1  ARG  43          1HH2      ARG  43   2.322   5.997   5.997
  314   1HH2  ARG  43          2HH1      ARG  43  -1.118   5.379   5.379
  315   2HH2  ARG  43          1HH1      ARG  43   0.304   5.185   5.185
  316    H    THR  44           H        THR  44   2.911   7.125   7.125
  317    HA   THR  44           HA       THR  44   5.070   5.472   5.472
  318    HB   THR  44           HB       THR  44   4.782   8.400   8.400
  319    HG1  THR  44           HG1      THR  44   5.301   7.205   7.205
  320   1HG2  THR  44          3HG2      THR  44   7.145   6.702   6.702
  321   2HG2  THR  44          1HG2      THR  44   7.182   8.457   8.457
  322   3HG2  THR  44          2HG2      THR  44   6.919   7.362   7.362
  323    H    ALA  45           H        ALA  45   5.767   4.445   4.445
  324    HA   ALA  45           HA       ALA  45   4.355   4.582   4.582
  325   1HB   ALA  45          1HB       ALA  45   5.978   2.807   2.807
  326   2HB   ALA  45          2HB       ALA  45   7.305   3.925   3.925
  327   3HB   ALA  45          3HB       ALA  45   6.201   3.341   3.341
  328    H    GLY  46           H        GLY  46   4.898   5.522   5.522
  329   1HA   GLY  46          1HA       GLY  46   5.407   7.261   7.261
  330   2HA   GLY  46          2HA       GLY  46   6.909   7.358   7.358
  331    H    THR  47           H        THR  47   3.579   8.160   8.160
  332    HA   THR  47           HA       THR  47   4.308  11.049  11.049
  333    HB   THR  47           HB       THR  47   3.644  11.388  11.388
  334    HG1  THR  47           HG1      THR  47   3.714   8.570   8.570
  335   1HG2  THR  47          3HG2      THR  47   6.055  11.054  11.054
  336   2HG2  THR  47          2HG2      THR  47   5.884   9.331   9.331
  337   3HG2  THR  47          1HG2      THR  47   5.606  10.552  10.552
  338    H    TYR  48           H        TYR  48   1.907   8.920   8.920
  339    HA   TYR  48           HA       TYR  48  -0.330  10.330  10.330
  340   1HB   TYR  48          2HB       TYR  48  -0.174   7.933   7.933
  341   2HB   TYR  48          1HB       TYR  48  -0.575   8.757   8.757
  342    HD1  TYR  48           HD1      TYR  48  -1.675   7.927   7.927
  343    HD2  TYR  48           HD2      TYR  48  -2.876   9.799   9.799
  344    HE1  TYR  48           HE1      TYR  48  -4.005   7.621   7.621
  345    HE2  TYR  48           HE2      TYR  48  -5.236   9.633   9.633
  346    HH   TYR  48           HH       TYR  48  -6.144   7.560   7.560
  347    HA   PRO  49           HA       PRO  49  -0.010  13.970  13.970
  348   1HB   PRO  49          2HB       PRO  49  -3.034  13.777  13.777
  349   2HB   PRO  49          1HB       PRO  49  -2.022  15.241  15.241
  350   1HG   PRO  49          2HG       PRO  49  -3.073  14.045  14.045
  351   2HG   PRO  49          1HG       PRO  49  -1.356  14.547  14.547
  352   1HD   PRO  49          1HD       PRO  49  -2.485  11.778  11.778
  353   2HD   PRO  49          2HD       PRO  49  -1.054  12.320  12.320
  354    H    GLU  50           HN       GLU  50  -0.209  14.828  14.828
  355    HA   GLU  50           HA       GLU  50  -0.065  14.788  14.788
  356   1HB   GLU  50          1HB       GLU  50  -2.871  13.660  13.660
  357   2HB   GLU  50          2HB       GLU  50  -2.222  14.444  14.444
  358   1HG   GLU  50          1HG       GLU  50  -1.870  16.542  16.542
  359   2HG   GLU  50          2HG       GLU  50  -2.581  15.765  15.765
  360    H    PHE  51           H        PHE  51   1.588  12.860  12.860
  361    HA   PHE  51           HA       PHE  51   1.077  11.006  11.006
  362   1HB   PHE  51          2HB       PHE  51   0.032   9.894   9.894
  363   2HB   PHE  51          1HB       PHE  51   1.630   9.855   9.855
  364    HD1  PHE  51           HD1      PHE  51  -0.326   8.852   8.852
  365    HD2  PHE  51           HD2      PHE  51   3.354   8.370   8.370
  366    HE1  PHE  51           HE1      PHE  51   0.555   7.453   7.453
  367    HE2  PHE  51           HE2      PHE  51   4.143   6.739   6.739
  368    HZ   PHE  51           HZ       PHE  51   2.741   6.295   6.295
  369    H    LYS  52           HN       LYS  52   2.834  11.008  11.008
  370    HA   LYS  52           HA       LYS  52   5.360  11.980  11.980
  371   1HB   LYS  52          1HB       LYS  52   4.622  12.527  12.527
  372   2HB   LYS  52          2HB       LYS  52   4.551  10.820  10.820
  373   1HG   LYS  52          2HG       LYS  52   6.533  12.014  12.014
  374   2HG   LYS  52          1HG       LYS  52   6.959  10.609  10.609
  375   1HD   LYS  52          1HD       LYS  52   7.540  12.044  12.044
  376   2HD   LYS  52          2HD       LYS  52   6.985  13.487  13.487
  377   1HE   LYS  52          1HE       LYS  52   8.759  13.096  13.096
  378   2HE   LYS  52          2HE       LYS  52   9.263  11.627  11.627
  379   1HZ   LYS  52          3HZ       LYS  52   9.810  12.981  12.981
  380   2HZ   LYS  52          2HZ       LYS  52   9.342  14.351  14.351
  381   3HZ   LYS  52          1HZ       LYS  52  10.635  13.486  13.486
  382    H    TYR  53           H        TYR  53   5.619  10.409  10.409
  383    HA   TYR  53           HA       TYR  53   6.240   7.641   7.641
  384   1HB   TYR  53          1HB       TYR  53   7.170   9.470   9.470
  385   2HB   TYR  53          2HB       TYR  53   7.324   7.708   7.708
  386    HD1  TYR  53           HD1      TYR  53   5.305   6.231   6.231
  387    HD2  TYR  53           HD2      TYR  53   5.153  10.435  10.435
  388    HE1  TYR  53           HE1      TYR  53   3.256   5.861   5.861
  389    HE2  TYR  53           HE2      TYR  53   3.061  10.069  10.069
  390    HH   TYR  53           HH       TYR  53   1.743   6.788   6.788
  391    H    LYS  54           HN       LYS  54   8.565   6.858   6.858
  392    HA   LYS  54           HA       LYS  54  10.575   8.292   8.292
  393   1HB   LYS  54          2HB       LYS  54  10.957   5.456   5.456
  394   2HB   LYS  54          1HB       LYS  54  11.513   6.305   6.305
  395   1HG   LYS  54          2HG       LYS  54   8.642   5.413   5.413
  396   2HG   LYS  54          1HG       LYS  54   9.803   4.598   4.598
  397   1HD   LYS  54          1HD       LYS  54   9.910   6.446   6.446
  398   2HD   LYS  54          2HD       LYS  54   8.955   7.498   7.498
  399   1HE   LYS  54          2HE       LYS  54   7.893   4.908   4.908
  400   2HE   LYS  54          1HE       LYS  54   7.669   6.517   6.517
  401   1HZ   LYS  54          2HZ       LYS  54   6.715   5.720   5.720
  402   2HZ   LYS  54          3HZ       LYS  54   5.799   5.876   5.876
  403   3HZ   LYS  54          1HZ       LYS  54   6.519   7.200   7.200
  404    H    ASP  55           HN       ASP  55  12.797   7.745   7.745
  405    HA   ASP  55           HA       ASP  55  13.282   8.998   8.998
  406   1HB   ASP  55          2HB       ASP  55  14.895   9.149   9.149
  407   2HB   ASP  55          1HB       ASP  55  15.070   7.386   7.386
  408    H    SER  56           H        SER  56  13.294   5.526   5.526
  409    HA   SER  56           HA       SER  56  14.658   4.536   4.536
  410   1HB   SER  56          2HB       SER  56  13.555   2.405   2.405
  411   2HB   SER  56          1HB       SER  56  14.636   3.357   3.357
  412    HG   SER  56           HG       SER  56  12.488   2.811   2.811
  413    H    ILE  57           H        ILE  57  11.332   4.078   4.078
  414    HA   ILE  57           HA       ILE  57  10.287   3.159   3.159
  415    HB   ILE  57           HB       ILE  57   9.393   3.408   3.408
  416   1HG1  ILE  57          1HG1      ILE  57   8.373   1.945   1.945
  417   2HG1  ILE  57          2HG1      ILE  57   7.201   2.684   2.684
  418   1HG2  ILE  57          1HG2      ILE  57   9.084   5.776   5.776
  419   2HG2  ILE  57          2HG2      ILE  57   7.912   5.745   5.745
  420   3HG2  ILE  57          3HG2      ILE  57   7.532   4.962   4.962
  421   1HD1  ILE  57          3HD1      ILE  57   6.560   4.305   4.305
  422   2HD1  ILE  57          2HD1      ILE  57   7.752   3.546   3.546
  423   3HD1  ILE  57          1HD1      ILE  57   6.358   2.623   2.623
  424    H    VAL  58           H        VAL  58  10.508   6.695   6.695
  425    HA   VAL  58           HA       VAL  58   9.207   7.540   7.540
  426    HB   VAL  58           HB       VAL  58  11.181   8.943   8.943
  427   1HG1  VAL  58          2HG1      VAL  58   9.233   9.930   9.930
  428   2HG1  VAL  58          1HG1      VAL  58  10.054  10.985  10.985
  429   3HG1  VAL  58          3HG1      VAL  58  11.010  10.093  10.093
  430   1HG2  VAL  58          2HG2      VAL  58   8.954   8.138   8.138
  431   2HG2  VAL  58          1HG2      VAL  58   9.204   9.890   9.890
  432   3HG2  VAL  58          3HG2      VAL  58   8.124   9.164   9.164
  433    H    ALA  59           H        ALA  59  12.713   7.047   7.047
  434    HA   ALA  59           HA       ALA  59  13.721   7.928   7.928
  435   1HB   ALA  59          1HB       ALA  59  15.158   7.475   7.475
  436   2HB   ALA  59          2HB       ALA  59  14.807   5.736   5.736
  437   3HB   ALA  59          3HB       ALA  59  15.697   6.551   6.551
  438    H    LEU  60           H        LEU  60  12.488   4.698   4.698
  439    HA   LEU  60           HA       LEU  60  13.073   3.353   3.353
  440   1HB   LEU  60          2HB       LEU  60  12.284   2.384   2.384
  441   2HB   LEU  60          1HB       LEU  60  10.662   2.933   2.933
  442    HG   LEU  60           HG       LEU  60  10.747   1.508   1.508
  443   1HD1  LEU  60          2HD2      LEU  60  13.260   0.368   0.368
  444   2HD1  LEU  60          3HD2      LEU  60  12.374  -0.353  -0.353
  445   3HD1  LEU  60          1HD2      LEU  60  13.182   1.201   1.201
  446   1HD2  LEU  60          2HD1      LEU  60   9.628   0.811   0.811
  447   2HD2  LEU  60          1HD1      LEU  60  10.300  -0.570  -0.570
  448   3HD2  LEU  60          3HD1      LEU  60  11.144   0.069   0.069
  449    H    GLY  61           H        GLY  61  10.165   5.173   5.173
  450   1HA   GLY  61          1HA       GLY  61   8.568   5.102   5.102
  451   2HA   GLY  61          2HA       GLY  61   8.707   6.454   6.454
  452    H    ALA  62           H        ALA  62  10.983   7.588   7.588
  453    HA   ALA  62           HA       ALA  62  10.905   9.120   9.120
  454   1HB   ALA  62          3HB       ALA  62  11.988   9.797   9.797
  455   2HB   ALA  62          1HB       ALA  62  13.296   8.630   8.630
  456   3HB   ALA  62          2HB       ALA  62  13.064  10.004  10.004
  457    H    SER  63           H        SER  63  12.659   6.083   6.083
  458    HA   SER  63           HA       SER  63  14.232   6.201   6.201
  459   1HB   SER  63          1HB       SER  63  13.409   3.732   3.732
  460   2HB   SER  63          2HB       SER  63  14.776   3.910   3.910
  461    HG   SER  63           HG       SER  63  14.418   5.356   5.356
  462    H    GLY  64           H        GLY  64  10.922   6.151   6.151
  463   1HA   GLY  64          1HA       GLY  64   9.549   6.045   6.045
  464   2HA   GLY  64          2HA       GLY  64  10.689   4.984   4.984
  465    H    PHE  65           H        PHE  65   9.749   4.431   4.431
  466    HA   PHE  65           HA       PHE  65   8.750   1.790   1.790
  467   1HB   PHE  65          1HB       PHE  65  10.259   1.982   1.982
  468   2HB   PHE  65          2HB       PHE  65   9.088   3.009   3.009
  469    HD1  PHE  65           HD1      PHE  65   8.892  -0.318  -0.318
  470    HD2  PHE  65           HD2      PHE  65   8.201   1.880   1.880
  471    HE1  PHE  65           HE1      PHE  65   7.801  -2.286  -2.286
  472    HE2  PHE  65           HE2      PHE  65   7.125  -0.097  -0.097
  473    HZ   PHE  65           HZ       PHE  65   6.855  -2.173  -2.173
  474    H    ALA  66           H        ALA  66   6.994   2.580   2.580
  475    HA   ALA  66           HA       ALA  66   4.605   3.712   3.712
  476   1HB   ALA  66          2HB       ALA  66   5.026   2.273   2.273
  477   2HB   ALA  66          1HB       ALA  66   3.535   3.087   3.087
  478   3HB   ALA  66          3HB       ALA  66   5.014   4.033   4.033
  479    H    TRP  67           H        TRP  67   3.356   2.500   2.500
  480    HA   TRP  67           HA       TRP  67   3.925  -0.249  -0.249
  481   1HB   TRP  67          2HB       TRP  67   1.633   1.610   1.610
  482   2HB   TRP  67          1HB       TRP  67   1.561  -0.099  -0.099
  483    HD1  TRP  67           HD1      TRP  67   2.465   3.022   3.022
  484    HE1  TRP  67           HE1      TRP  67   3.824   2.625   2.625
  485    HE3  TRP  67           HE3      TRP  67   3.662  -1.919  -1.919
  486    HZ2  TRP  67           HZ2      TRP  67   5.319   0.536   0.536
  487    HZ3  TRP  67           HZ3      TRP  67   4.993  -3.096  -3.096
  488    HH2  TRP  67           HH2      TRP  67   5.926  -1.844  -1.844
  489    H    THR  68           H        THR  68   2.929  -2.074  -2.074
  490    HA   THR  68           HA       THR  68   0.884  -1.960  -1.960
  491    HB   THR  68           HB       THR  68   1.899  -3.880  -3.880
  492    HG1  THR  68           HG1      THR  68   4.237  -3.839  -3.839
  493   1HG2  THR  68          1HG2      THR  68   2.771  -1.667  -1.667
  494   2HG2  THR  68          2HG2      THR  68   4.110  -1.841  -1.841
  495   3HG2  THR  68          3HG2      THR  68   3.956  -2.978  -2.978
  496    H    GLU  69           HN       GLU  69  -0.472  -3.948  -3.948
  497    HA   GLU  69           HA       GLU  69  -1.353  -4.778  -4.778
  498   1HB   GLU  69          1HB       GLU  69  -1.402  -6.344  -6.344
  499   2HB   GLU  69          2HB       GLU  69  -2.407  -6.652  -6.652
  500   1HG   GLU  69          1HG       GLU  69  -3.307  -4.292  -4.292
  501   2HG   GLU  69          2HG       GLU  69  -2.457  -4.151  -4.151
  502    H    GLU  70           HN       GLU  70   1.150  -6.177  -6.177
  503    HA   GLU  70           HA       GLU  70   1.614  -8.573  -8.573
  504   1HB   GLU  70          2HB       GLU  70   3.477  -7.030  -7.030
  505   2HB   GLU  70          1HB       GLU  70   3.672  -8.703  -8.703
  506   1HG   GLU  70          1HG       GLU  70   1.476  -9.273  -9.273
  507   2HG   GLU  70          2HG       GLU  70   1.379  -7.628  -7.628
  508    H    ASP  71           HN       ASP  71   3.352  -5.391  -5.391
  509    HA   ASP  71           HA       ASP  71   5.263  -6.110  -6.110
  510   1HB   ASP  71          1HB       ASP  71   4.216  -3.430  -3.430
  511   2HB   ASP  71          2HB       ASP  71   5.492  -3.614  -3.614
  512    H    ILE  72           H        ILE  72   2.068  -4.474  -4.474
  513    HA   ILE  72           HA       ILE  72   2.213  -3.963  -3.963
  514    HB   ILE  72           HB       ILE  72  -0.154  -4.549  -4.549
  515   1HG1  ILE  72          2HG1      ILE  72   0.639  -1.845  -1.845
  516   2HG1  ILE  72          1HG1      ILE  72   1.363  -2.439  -2.439
  517   1HG2  ILE  72          1HG2      ILE  72  -0.126  -3.480  -3.480
  518   2HG2  ILE  72          2HG2      ILE  72  -1.545  -3.468  -3.468
  519   3HG2  ILE  72          3HG2      ILE  72  -0.855  -5.001  -5.001
  520   1HD1  ILE  72          3HD1      ILE  72  -0.931  -2.785  -2.785
  521   2HD1  ILE  72          1HD1      ILE  72  -1.599  -1.967  -1.967
  522   3HD1  ILE  72          2HD1      ILE  72  -0.497  -1.107  -1.107
  523    H    ALA  73           H        ALA  73   0.715  -6.685  -6.685
  524    HA   ALA  73           HA       ALA  73  -0.052  -8.273  -8.273
  525   1HB   ALA  73          2HB       ALA  73  -0.730  -8.693  -8.693
  526   2HB   ALA  73          1HB       ALA  73   0.931  -9.163  -9.163
  527   3HB   ALA  73          3HB       ALA  73  -0.005 -10.146 -10.146
  528    H    THR  74           H        THR  74   3.150  -8.072  -8.072
  529    HA   THR  74           HA       THR  74   4.328 -10.211 -10.211
  530    HB   THR  74           HB       THR  74   5.704  -7.897  -7.897
  531    HG1  THR  74           HG1      THR  74   4.381  -9.082  -9.082
  532   1HG2  THR  74          2HG2      THR  74   6.676 -10.687 -10.687
  533   2HG2  THR  74          1HG2      THR  74   7.597  -9.474  -9.474
  534   3HG2  THR  74          3HG2      THR  74   7.181  -9.180  -9.180
  535    H    TYR  75           H        TYR  75   4.825  -6.657  -6.657
  536    HA   TYR  75           HA       TYR  75   6.336  -6.413  -6.413
  537   1HB   TYR  75          2HB       TYR  75   5.864  -4.527  -4.527
  538   2HB   TYR  75          1HB       TYR  75   4.126  -4.664  -4.664
  539    HD1  TYR  75           HD1      TYR  75   7.197  -4.309  -4.309
  540    HD2  TYR  75           HD2      TYR  75   3.127  -3.110  -3.110
  541    HE1  TYR  75           HE1      TYR  75   7.396  -2.585  -2.585
  542    HE2  TYR  75           HE2      TYR  75   3.344  -1.392  -1.392
  543    HH   TYR  75           HH       TYR  75   6.350  -0.668  -0.668
  544    H    VAL  76           H        VAL  76   2.706  -6.581  -6.581
  545    HA   VAL  76           HA       VAL  76   2.612  -6.260  -6.260
  546    HB   VAL  76           HB       VAL  76   0.496  -7.466  -7.466
  547   1HG1  VAL  76          1HG1      VAL  76   0.583  -5.040  -5.040
  548   2HG1  VAL  76          3HG1      VAL  76   0.808  -5.333  -5.333
  549   3HG1  VAL  76          2HG1      VAL  76  -0.713  -5.786  -5.786
  550   1HG2  VAL  76          3HG2      VAL  76   0.837  -9.126  -9.126
  551   2HG2  VAL  76          1HG2      VAL  76  -0.570  -8.104  -8.104
  552   3HG2  VAL  76          2HG2      VAL  76   0.929  -7.842  -7.842
  553    H    LYS  77           HN       LYS  77   3.399  -9.195  -9.195
  554    HA   LYS  77           HA       LYS  77   3.228 -10.943 -10.943
  555   1HB   LYS  77          1HB       LYS  77   4.741 -11.394 -11.394
  556   2HB   LYS  77          2HB       LYS  77   4.300 -12.594 -12.594
  557   1HG   LYS  77          2HG       LYS  77   1.861 -11.896 -11.896
  558   2HG   LYS  77          1HG       LYS  77   2.430 -11.065 -11.065
  559   1HD   LYS  77          1HD       LYS  77   2.940 -14.024 -14.024
  560   2HD   LYS  77          2HD       LYS  77   1.538 -13.450 -13.450
  561   1HE   LYS  77          1HE       LYS  77   4.410 -12.847 -12.847
  562   2HE   LYS  77          2HE       LYS  77   3.481 -14.236 -14.236
  563   1HZ   LYS  77          1HZ       LYS  77   2.651 -11.440 -11.440
  564   2HZ   LYS  77          3HZ       LYS  77   3.352 -12.372 -12.372
  565   3HZ   LYS  77          2HZ       LYS  77   1.865 -12.765 -12.765
  566    H    ASP  78           HN       ASP  78   5.695  -8.783  -8.783
  567    HA   ASP  78           HA       ASP  78   7.568  -9.597  -9.597
  568   1HB   ASP  78          2HB       ASP  78   9.408  -9.632  -9.632
  569   2HB   ASP  78          1HB       ASP  78   8.250 -10.900 -10.900
  570    HA   PRO  79           HA       PRO  79   7.544  -5.032  -5.032
  571   1HB   PRO  79          1HB       PRO  79   6.703  -5.027  -5.027
  572   2HB   PRO  79          2HB       PRO  79   6.351  -3.816  -3.816
  573   1HG   PRO  79          1HG       PRO  79   4.491  -5.579  -5.579
  574   2HG   PRO  79          2HG       PRO  79   4.900  -5.368  -5.368
  575   1HD   PRO  79          2HD       PRO  79   5.990  -7.518  -7.518
  576   2HD   PRO  79          1HD       PRO  79   5.155  -7.738  -7.738
  577    H    GLY  80           H        GLY  80   9.050  -3.705  -3.705
  578   1HA   GLY  80          1HA       GLY  80  11.168  -3.064  -3.064
  579   2HA   GLY  80          2HA       GLY  80  11.094  -4.442  -4.442
  580    H    ALA  81           H        ALA  81  11.150  -6.642  -6.642
  581    HA   ALA  81           HA       ALA  81  13.681  -7.047  -7.047
  582   1HB   ALA  81          3HB       ALA  81  11.149  -8.695  -8.695
  583   2HB   ALA  81          2HB       ALA  81  12.774  -9.257  -9.257
  584   3HB   ALA  81          1HB       ALA  81  12.407  -8.846  -8.846
  585    H    PHE  82           H        PHE  82  10.505  -6.652  -6.652
  586    HA   PHE  82           HA       PHE  82  11.238  -6.891  -6.891
  587   1HB   PHE  82          1HB       PHE  82   8.954  -6.526  -6.526
  588   2HB   PHE  82          2HB       PHE  82   9.351  -4.861  -4.861
  589    HD1  PHE  82           HD2      PHE  82   8.572  -7.306  -7.306
  590    HD2  PHE  82           HD1      PHE  82   9.551  -3.182  -3.182
  591    HE1  PHE  82           HE2      PHE  82   7.847  -6.677  -6.677
  592    HE2  PHE  82           HE1      PHE  82   8.903  -2.582  -2.582
  593    HZ   PHE  82           HZ       PHE  82   8.026  -4.326  -4.326
  594    H    LEU  83           H        LEU  83  11.268  -3.837  -3.837
  595    HA   LEU  83           HA       LEU  83  12.421  -2.186  -2.186
  596   1HB   LEU  83          1HB       LEU  83  12.559  -1.975  -1.975
  597   2HB   LEU  83          2HB       LEU  83  13.131  -0.804  -0.804
  598    HG   LEU  83           HG       LEU  83  10.671  -0.879  -0.879
  599   1HD1  LEU  83          3HD2      LEU  83  10.346  -1.760  -1.760
  600   2HD1  LEU  83          2HD2      LEU  83   9.065  -1.010  -1.010
  601   3HD1  LEU  83          1HD2      LEU  83   9.734  -2.581  -2.581
  602   1HD2  LEU  83          1HD1      LEU  83  11.638   0.497   0.497
  603   2HD2  LEU  83          3HD1      LEU  83  11.819   1.119   1.119
  604   3HD2  LEU  83          2HD1      LEU  83  10.214   1.030   1.030
  605    H    LYS  84           HN       LYS  84  13.900  -3.867  -3.867
  606    HA   LYS  84           HA       LYS  84  16.534  -3.054  -3.054
  607   1HB   LYS  84          2HB       LYS  84  15.505  -5.695  -5.695
  608   2HB   LYS  84          1HB       LYS  84  17.163  -5.098  -5.098
  609   1HG   LYS  84          1HG       LYS  84  16.429  -3.177  -3.177
  610   2HG   LYS  84          2HG       LYS  84  14.731  -3.502  -3.502
  611   1HD   LYS  84          2HD       LYS  84  15.020  -5.747  -5.747
  612   2HD   LYS  84          1HD       LYS  84  16.600  -5.144  -5.144
  613   1HE   LYS  84          2HE       LYS  84  13.823  -4.064  -4.064
  614   2HE   LYS  84          1HE       LYS  84  15.024  -4.728  -4.728
  615   1HZ   LYS  84          2HZ       LYS  84  16.414  -2.800  -2.800
  616   2HZ   LYS  84          3HZ       LYS  84  15.176  -2.214  -2.214
  617   3HZ   LYS  84          1HZ       LYS  84  14.986  -2.374  -2.374
  618    H    GLU  85           HN       GLU  85  14.862  -5.811  -5.811
  619    HA   GLU  85           HA       GLU  85  17.104  -6.686  -6.686
  620   1HB   GLU  85          1HB       GLU  85  15.128  -8.083  -8.083
  621   2HB   GLU  85          2HB       GLU  85  14.102  -7.023  -7.023
  622   1HG   GLU  85          1HG       GLU  85  15.560  -7.589  -7.589
  623   2HG   GLU  85          2HG       GLU  85  16.392  -8.770  -8.770
  624    H    LYS  86           HN       LYS  86  14.117  -4.913  -4.913
  625    HA   LYS  86           HA       LYS  86  15.005  -4.501  -4.501
  626   1HB   LYS  86          2HB       LYS  86  13.096  -2.888  -2.888
  627   2HB   LYS  86          1HB       LYS  86  13.176  -2.796  -2.796
  628   1HG   LYS  86          2HG       LYS  86  12.630  -5.436  -5.436
  629   2HG   LYS  86          1HG       LYS  86  11.383  -4.286  -4.286
  630   1HD   LYS  86          2HD       LYS  86  12.169  -4.463  -4.463
  631   2HD   LYS  86          1HD       LYS  86  13.227  -5.782  -5.782
  632   1HE   LYS  86          2HE       LYS  86  10.183  -5.683  -5.683
  633   2HE   LYS  86          1HE       LYS  86  11.201  -6.748  -6.748
  634   1HZ   LYS  86          3HZ       LYS  86  11.981  -7.740  -7.740
  635   2HZ   LYS  86          2HZ       LYS  86  10.934  -6.786  -6.786
  636   3HZ   LYS  86          1HZ       LYS  86  10.353  -7.905  -7.905
  637    H    LEU  87           H        LEU  87  15.441  -2.361  -2.361
  638    HA   LEU  87           HA       LEU  87  16.819  -0.334  -0.334
  639   1HB   LEU  87          2HB       LEU  87  15.061   0.009   0.009
  640   2HB   LEU  87          1HB       LEU  87  16.408  -0.373  -0.373
  641    HG   LEU  87           HG       LEU  87  17.662   1.579   1.579
  642   1HD1  LEU  87          2HD2      LEU  87  14.893   2.204   2.204
  643   2HD1  LEU  87          3HD2      LEU  87  16.285   3.300   3.300
  644   3HD1  LEU  87          1HD2      LEU  87  16.331   1.820   1.820
  645   1HD2  LEU  87          1HD1      LEU  87  15.027   2.156   2.156
  646   2HD2  LEU  87          2HD1      LEU  87  16.576   1.758   1.758
  647   3HD2  LEU  87          3HD1      LEU  87  16.404   3.272   3.272
  648    H    ASP  88           HN       ASP  88  17.808  -3.277  -3.277
  649    HA   ASP  88           HA       ASP  88  19.595  -4.185  -4.185
  650   1HB   ASP  88          2HB       ASP  88  20.168  -3.907  -3.907
  651   2HB   ASP  88          1HB       ASP  88  20.726  -2.262  -2.262
  652    H    ASP  89           HN       ASP  89  18.703  -2.655  -2.655
  653    HA   ASP  89           HA       ASP  89  21.098  -1.411  -1.411
  654   1HB   ASP  89          1HB       ASP  89  20.036   0.383   0.383
  655   2HB   ASP  89          2HB       ASP  89  18.458  -0.018  -0.018
  656    H    LYS  90           HN       LYS  90  21.327  -2.124  -2.124
  657    HA   LYS  90           HA       LYS  90  19.629  -3.758  -3.758
  658   1HB   LYS  90          1HB       LYS  90  22.210  -2.813  -2.813
  659   2HB   LYS  90          2HB       LYS  90  21.540  -1.850  -1.850
  660   1HG   LYS  90          2HG       LYS  90  21.455  -4.901  -4.901
  661   2HG   LYS  90          1HG       LYS  90  22.534  -3.928  -3.928
  662   1HD   LYS  90          2HD       LYS  90  20.490  -2.944  -2.944
  663   2HD   LYS  90          1HD       LYS  90  19.491  -4.117  -4.117
  664   1HE   LYS  90          2HE       LYS  90  21.754  -4.792  -4.792
  665   2HE   LYS  90          1HE       LYS  90  20.021  -4.883  -4.883
  666   1HZ   LYS  90          2HZ       LYS  90  19.821  -6.531  -6.531
  667   2HZ   LYS  90          1HZ       LYS  90  21.441  -6.468  -6.468
  668   3HZ   LYS  90          3HZ       LYS  90  20.894  -7.007  -7.007
  669    H    LYS  91           HN       LYS  91  20.240  -0.314  -0.314
  670    HA   LYS  91           HA       LYS  91  18.461   0.285   0.285
  671   1HB   LYS  91          1HB       LYS  91  20.458   1.541   1.541
  672   2HB   LYS  91          2HB       LYS  91  20.155   1.944   1.944
  673   1HG   LYS  91          2HG       LYS  91  18.271   2.997   2.997
  674   2HG   LYS  91          1HG       LYS  91  19.865   3.724   3.724
  675   1HD   LYS  91          1HD       LYS  91  19.552   4.294   4.294
  676   2HD   LYS  91          2HD       LYS  91  18.063   3.373   3.373
  677   1HE   LYS  91          1HE       LYS  91  18.408   5.826   5.826
  678   2HE   LYS  91          2HE       LYS  91  17.677   5.815   5.815
  679   1HZ   LYS  91          1HZ       LYS  91  16.038   4.274   4.274
  680   2HZ   LYS  91          3HZ       LYS  91  16.672   4.351   4.351
  681   3HZ   LYS  91          2HZ       LYS  91  16.004   5.698   5.698
  682    H    ALA  92           H        ALA  92  17.491  -0.646  -0.646
  683    HA   ALA  92           HA       ALA  92  15.473   1.399   1.399
  684   1HB   ALA  92          2HB       ALA  92  16.561   0.032   0.032
  685   2HB   ALA  92          3HB       ALA  92  15.496  -1.301  -1.301
  686   3HB   ALA  92          1HB       ALA  92  14.819   0.242   0.242
  687    H    LYS  93           HN       LYS  93  14.666   1.322   1.322
  688    HA   LYS  93           HA       LYS  93  12.966  -0.948  -0.948
  689   1HB   LYS  93          1HB       LYS  93  14.377   0.319   0.319
  690   2HB   LYS  93          2HB       LYS  93  13.491   1.796   1.796
  691   1HG   LYS  93          2HG       LYS  93  12.828   0.869   0.869
  692   2HG   LYS  93          1HG       LYS  93  11.459   0.901   0.901
  693   1HD   LYS  93          2HD       LYS  93  11.710  -1.563  -1.563
  694   2HD   LYS  93          1HD       LYS  93  13.207  -1.556  -1.556
  695   1HE   LYS  93          1HE       LYS  93  11.259  -2.420  -2.420
  696   2HE   LYS  93          2HE       LYS  93  12.005  -1.010  -1.010
  697   1HZ   LYS  93          3HZ       LYS  93   9.602  -0.885  -0.885
  698   2HZ   LYS  93          2HZ       LYS  93   9.594  -0.936  -0.936
  699   3HZ   LYS  93          1HZ       LYS  93  10.270   0.341   0.341
  700    H    THR  94           H        THR  94  10.567  -0.398  -0.398
  701    HA   THR  94           HA       THR  94   9.399   1.781   1.781
  702    HB   THR  94           HB       THR  94   9.410  -0.132  -0.132
  703    HG1  THR  94           HG1      THR  94   7.631   1.393   1.393
  704   1HG2  THR  94          2HG2      THR  94   9.237  -2.002  -2.002
  705   2HG2  THR  94          3HG2      THR  94   7.566  -1.517  -1.517
  706   3HG2  THR  94          1HG2      THR  94   7.996  -2.096  -2.096
  707    H    GLY  95           H        GLY  95   7.376   2.359   2.359
  708   1HA   GLY  95          1HA       GLY  95   7.174   2.058   2.058
  709   2HA   GLY  95          2HA       GLY  95   5.935   2.725   2.725
  710    H    MET  96           H        MET  96   5.683   0.210   0.210
  711    HA   MET  96           HA       MET  96   3.575  -0.864  -0.864
  712   1HB   MET  96          1HB       MET  96   3.942  -0.893  -0.893
  713   2HB   MET  96          2HB       MET  96   4.991  -2.271  -2.271
  714   1HG   MET  96          1HG       MET  96   3.259  -3.665  -3.665
  715   2HG   MET  96          2HG       MET  96   2.305  -2.365  -2.365
  716   1HE   MET  96          1HE       MET  96   3.706  -3.176  -3.176
  717   2HE   MET  96          2HE       MET  96   2.725  -4.631  -4.631
  718   3HE   MET  96          3HE       MET  96   2.197  -3.469  -3.469
  719    H    ALA  97           H        ALA  97   4.496  -1.364  -1.364
  720    HA   ALA  97           HA       ALA  97   5.940  -3.867  -3.867
  721   1HB   ALA  97          3HB       ALA  97   6.077  -2.023  -2.023
  722   2HB   ALA  97          1HB       ALA  97   4.343  -2.187  -2.187
  723   3HB   ALA  97          2HB       ALA  97   5.463  -3.505  -3.505
  724    H    PHE  98           H        PHE  98   4.160  -4.697  -4.697
  725    HA   PHE  98           HA       PHE  98   2.446  -6.584  -6.584
  726   1HB   PHE  98          1HB       PHE  98   0.783  -4.901  -4.901
  727   2HB   PHE  98          2HB       PHE  98   1.392  -4.156  -4.156
  728    HD1  PHE  98           HD1      PHE  98  -0.685  -6.955  -6.955
  729    HD2  PHE  98           HD2      PHE  98   0.813  -4.938  -4.938
  730    HE1  PHE  98           HE1      PHE  98  -2.287  -8.203  -8.203
  731    HE2  PHE  98           HE2      PHE  98  -0.761  -6.200  -6.200
  732    HZ   PHE  98           HZ       PHE  98  -2.364  -7.809  -7.809
  733    H    LYS  99           HN       LYS  99   1.816  -8.239  -8.239
  734    HA   LYS  99           HA       LYS  99   2.763  -7.929  -7.929
  735   1HB   LYS  99          2HB       LYS  99   3.622 -10.506 -10.506
  736   2HB   LYS  99          1HB       LYS  99   4.171  -9.738  -9.738
  737   1HG   LYS  99          2HG       LYS  99   5.207  -7.925  -7.925
  738   2HG   LYS  99          1HG       LYS  99   4.903  -9.044  -9.044
  739   1HD   LYS  99          1HD       LYS  99   6.251 -10.782 -10.782
  740   2HD   LYS  99          2HD       LYS  99   6.519  -9.740  -9.740
  741   1HE   LYS  99          1HE       LYS  99   7.455  -9.143  -9.143
  742   2HE   LYS  99          2HE       LYS  99   8.469  -9.782  -9.782
  743   1HZ   LYS  99          3HZ       LYS  99   7.121  -7.173  -7.173
  744   2HZ   LYS  99          1HZ       LYS  99   8.716  -7.431  -7.431
  745   3HZ   LYS  99          2HZ       LYS  99   8.106  -7.768  -7.768
  746    H    LEU 100           H        LEU 100   1.684  -9.548  -9.548
  747    HA   LEU 100           HA       LEU 100  -0.782 -10.680 -10.680
  748   1HB   LEU 100          1HB       LEU 100  -1.164  -8.756  -8.756
  749   2HB   LEU 100          2HB       LEU 100  -0.216  -9.510  -9.510
  750    HG   LEU 100           HG       LEU 100  -1.801 -11.234 -11.234
  751   1HD1  LEU 100          3HD2      LEU 100  -3.277 -10.226 -10.226
  752   2HD1  LEU 100          1HD2      LEU 100  -3.944 -11.378 -11.378
  753   3HD1  LEU 100          2HD2      LEU 100  -2.542 -11.834 -11.834
  754   1HD2  LEU 100          2HD1      LEU 100  -2.331  -8.983  -8.983
  755   2HD2  LEU 100          3HD1      LEU 100  -3.788  -9.958  -9.958
  756   3HD2  LEU 100          1HD1      LEU 100  -3.352  -8.669  -8.669
  757    H    ALA 101           H        ALA 101  -0.357 -12.822 -12.822
  758    HA   ALA 101           HA       ALA 101   1.571 -14.210 -14.210
  759   1HB   ALA 101          1HB       ALA 101   1.419 -14.635 -14.635
  760   2HB   ALA 101          3HB       ALA 101  -0.269 -15.169 -15.169
  761   3HB   ALA 101          2HB       ALA 101   1.050 -16.102 -16.102
  762    H    LYS 102           HN       LYS 102   0.109 -13.334 -13.334
  763    HA   LYS 102           HA       LYS 102  -0.700 -14.036 -14.036
  764   1HB   LYS 102          2HB       LYS 102  -1.983 -16.477 -16.477
  765   2HB   LYS 102          1HB       LYS 102  -1.932 -16.062 -16.062
  766   1HG   LYS 102          2HG       LYS 102   0.547 -16.170 -16.170
  767   2HG   LYS 102          1HG       LYS 102   0.508 -16.669 -16.669
  768   1HD   LYS 102          2HD       LYS 102  -0.898 -18.631 -18.631
  769   2HD   LYS 102          1HD       LYS 102  -0.777 -18.188 -18.188
  770   1HE   LYS 102          2HE       LYS 102   1.565 -18.902 -18.902
  771   2HE   LYS 102          1HE       LYS 102   0.830 -19.974 -19.974
  772   1HZ   LYS 102          1HZ       LYS 102   1.480 -18.421 -18.421
  773   2HZ   LYS 102          2HZ       LYS 102   2.198 -17.444 -17.444
  774   3HZ   LYS 102          3HZ       LYS 102   2.786 -18.958 -18.958
  775    H    GLY 103           H        GLY 103  -2.671 -13.551 -13.551
  776   1HA   GLY 103          1HA       GLY 103  -5.117 -13.086 -13.086
  777   2HA   GLY 103          2HA       GLY 103  -4.656 -12.208 -12.208
  778    H    GLY 104           H        GLY 104  -2.106 -11.314 -11.314
  779   1HA   GLY 104          1HA       GLY 104  -2.557  -8.773  -8.773
  780   2HA   GLY 104          2HA       GLY 104  -1.167  -9.746  -9.746
  781    H    GLU 105           HN       GLU 105  -2.566 -11.626 -11.626
  782    HA   GLU 105           HA       GLU 105  -2.731 -10.175 -10.175
  783   1HB   GLU 105          1HB       GLU 105  -3.714 -12.354 -12.354
  784   2HB   GLU 105          2HB       GLU 105  -2.062 -12.389 -12.389
  785   1HG   GLU 105          2HG       GLU 105  -4.359 -13.219 -13.219
  786   2HG   GLU 105          1HG       GLU 105  -3.723 -14.303 -14.303
  787    H    ASP 106           HN       ASP 106  -5.219 -11.537 -11.537
  788    HA   ASP 106           HA       ASP 106  -7.502 -10.806 -10.806
  789   1HB   ASP 106          1HB       ASP 106  -7.294 -11.201 -11.201
  790   2HB   ASP 106          2HB       ASP 106  -8.751 -11.262 -11.262
  791    H    VAL 107           H        VAL 107  -5.826  -9.281  -9.281
  792    HA   VAL 107           HA       VAL 107  -7.486  -6.967  -6.967
  793    HB   VAL 107           HB       VAL 107  -4.617  -7.326  -7.326
  794   1HG1  VAL 107          2HG2      VAL 107  -6.731  -5.192  -5.192
  795   2HG1  VAL 107          3HG2      VAL 107  -5.340  -5.462  -5.462
  796   3HG1  VAL 107          1HG2      VAL 107  -5.082  -4.955  -4.955
  797   1HG2  VAL 107          3HG1      VAL 107  -6.289  -8.914  -8.914
  798   2HG2  VAL 107          1HG1      VAL 107  -5.640  -7.733  -7.733
  799   3HG2  VAL 107          2HG1      VAL 107  -7.262  -7.506  -7.506
  800    H    ALA 108           H        ALA 108  -4.449  -7.582  -7.582
  801    HA   ALA 108           HA       ALA 108  -4.188  -4.986  -4.986
  802   1HB   ALA 108          2HB       ALA 108  -3.373  -7.685  -7.685
  803   2HB   ALA 108          3HB       ALA 108  -2.845  -6.098  -6.098
  804   3HB   ALA 108          1HB       ALA 108  -2.393  -6.635  -6.635
  805    H    ALA 109           H        ALA 109  -5.917  -7.900  -7.900
  806    HA   ALA 109           HA       ALA 109  -6.944  -6.692  -6.692
  807   1HB   ALA 109          2HB       ALA 109  -7.026  -9.094  -9.094
  808   2HB   ALA 109          1HB       ALA 109  -8.194  -8.867  -8.867
  809   3HB   ALA 109          3HB       ALA 109  -8.648  -8.463  -8.463
  810    H    TYR 110           H        TYR 110  -8.297  -6.811  -6.811
  811    HA   TYR 110           HA       TYR 110 -10.692  -5.391  -5.391
  812   1HB   TYR 110          1HB       TYR 110 -10.490  -6.450  -6.450
  813   2HB   TYR 110          2HB       TYR 110  -8.940  -5.724  -5.724
  814    HD1  TYR 110           HD2      TYR 110 -12.506  -4.692  -4.692
  815    HD2  TYR 110           HD1      TYR 110  -8.829  -3.940  -3.940
  816    HE1  TYR 110           HE2      TYR 110 -13.628  -2.924  -2.924
  817    HE2  TYR 110           HE1      TYR 110  -9.951  -2.177  -2.177
  818    HH   TYR 110           HH       TYR 110 -11.923  -1.104  -1.104
  819    H    LEU 111           H        LEU 111  -7.493  -4.065  -4.065
  820    HA   LEU 111           HA       LEU 111  -8.222  -1.345  -1.345
  821   1HB   LEU 111          1HB       LEU 111  -5.567  -2.736  -2.736
  822   2HB   LEU 111          2HB       LEU 111  -5.719  -0.979  -0.979
  823    HG   LEU 111           HG       LEU 111  -6.732  -2.728  -2.728
  824   1HD1  LEU 111          1HD2      LEU 111  -3.953  -1.539  -1.539
  825   2HD1  LEU 111          2HD2      LEU 111  -4.587  -2.285  -2.285
  826   3HD1  LEU 111          3HD2      LEU 111  -4.361  -3.267  -3.267
  827   1HD2  LEU 111          1HD1      LEU 111  -5.847   0.190   0.190
  828   2HD2  LEU 111          3HD1      LEU 111  -7.523  -0.373  -0.373
  829   3HD2  LEU 111          2HD1      LEU 111  -6.385  -0.648  -0.648
  830    H    ALA 112           H        ALA 112  -6.820  -3.386  -3.386
  831    HA   ALA 112           HA       ALA 112  -6.776  -1.441  -1.441
  832   1HB   ALA 112          3HB       ALA 112  -5.672  -3.619  -3.619
  833   2HB   ALA 112          2HB       ALA 112  -7.245  -4.435  -4.435
  834   3HB   ALA 112          1HB       ALA 112  -6.703  -3.329  -3.329
  835    H    SER 113           H        SER 113  -9.465  -3.531  -3.531
  836    HA   SER 113           HA       SER 113 -11.282  -2.740  -2.740
  837   1HB   SER 113          2HB       SER 113 -11.942  -3.825  -3.825
  838   2HB   SER 113          1HB       SER 113 -12.983  -3.815  -3.815
  839    HG   SER 113           HG       SER 113 -10.491  -5.184  -5.184
  840    H    VAL 114           H        VAL 114 -10.588  -1.555  -1.555
  841    HA   VAL 114           HA       VAL 114 -12.792   0.185   0.185
  842    HB   VAL 114           HB       VAL 114 -10.121  -0.302  -0.302
  843   1HG1  VAL 114          1HG2      VAL 114 -11.995   1.924   1.924
  844   2HG1  VAL 114          2HG2      VAL 114 -10.676   1.277   1.277
  845   3HG1  VAL 114          3HG2      VAL 114 -10.283   2.050   2.050
  846   1HG2  VAL 114          3HG1      VAL 114 -12.099  -1.803  -1.803
  847   2HG2  VAL 114          1HG1      VAL 114 -11.476  -0.965  -0.965
  848   3HG2  VAL 114          2HG1      VAL 114 -12.964  -0.397  -0.397
  849    H    VAL 115           H        VAL 115  -9.448   0.819   0.819
  850    HA   VAL 115           HA       VAL 115  -9.662   3.611   3.611
  851    HB   VAL 115           HB       VAL 115  -7.560   2.611   2.611
  852   1HG1  VAL 115          3HG2      VAL 115  -7.920   0.613   0.613
  853   2HG1  VAL 115          2HG2      VAL 115  -8.129   1.553   1.553
  854   3HG1  VAL 115          1HG2      VAL 115  -6.573   1.544   1.544
  855   1HG2  VAL 115          3HG1      VAL 115  -7.807   4.876   4.876
  856   2HG2  VAL 115          2HG1      VAL 115  -6.483   3.975   3.975
  857   3HG2  VAL 115          1HG1      VAL 115  -8.016   4.170   4.170
  858    H    LYS 116           HN       LYS 116 -11.495   4.366   4.366
  859    HA   LYS 116           HA       LYS 116 -11.986   4.507   4.507
  860   1HB   LYS 116          1HB       LYS 116 -14.327   4.894   4.894
  861   2HB   LYS 116          2HB       LYS 116 -13.806   3.345   3.345
  862   1HG   LYS 116          2HG       LYS 116 -13.667   4.327   4.327
  863   2HG   LYS 116          1HG       LYS 116 -14.054   5.931   5.931
  864   1HD   LYS 116          1HD       LYS 116 -16.260   5.090   5.090
  865   2HD   LYS 116          2HD       LYS 116 -15.878   3.489   3.489
  866   1HE   LYS 116          2HE       LYS 116 -15.651   4.502   4.502
  867   2HE   LYS 116          1HE       LYS 116 -16.022   6.101   6.101
  868   1HZ   LYS 116          3HZ       LYS 116 -18.163   5.270   5.270
  869   2HZ   LYS 116          2HZ       LYS 116 -17.824   3.783   3.783
  870   3HZ   LYS 116          1HZ       LYS 116 -17.934   5.093   5.093
  871    HHA  HEC 117           HHA      HEM 117   3.124   2.313   2.313
  872    HHB  HEC 117           HHB      HEM 117  -0.990  -1.673  -1.673
  873    HHC  HEC 117           HHC      HEM 117  -2.468  -4.029  -4.029
  874    HHD  HEC 117           HHD      HEM 117   1.266   0.426   0.426
  875   1HMA  HEC 117          1HMA      HEM 117  -0.009  -0.103  -0.103
  876   2HMA  HEC 117          2HMA      HEM 117   1.071  -1.504  -1.504
  877   3HMA  HEC 117          3HMA      HEM 117   1.740   0.059   0.059
  878   1HAA  HEC 117          1HAA      HEM 117   3.370   2.499   2.499
  879   2HAA  HEC 117          2HAA      HEM 117   3.433   1.395   1.395
  880   1HBA  HEC 117          1HBA      HEM 117   1.020   3.152   3.152
  881   2HBA  HEC 117          2HBA      HEM 117   1.492   2.361   2.361
  882   1HMB  HEC 117          1HMB      HEM 117  -4.062  -3.710  -3.710
  883   2HMB  HEC 117          2HMB      HEM 117  -2.475  -4.105  -4.105
  884   3HMB  HEC 117          3HMB      HEM 117  -3.095  -2.436  -2.436
  885    HAB  HEC 117           HAB      HEM 117  -3.767  -4.936  -4.936
  886   1HBB  HEC 117          1HBB      HEM 117  -4.398  -6.679  -6.679
  887   2HBB  HEC 117          2HBB      HEM 117  -2.629  -6.484  -6.484
  888   3HBB  HEC 117          3HBB      HEM 117  -3.516  -5.864  -5.864
  889   1HMC  HEC 117          1HMC      HEM 117  -1.939  -3.781  -3.781
  890   2HMC  HEC 117          2HMC      HEM 117  -3.303  -3.095  -3.095
  891   3HMC  HEC 117          3HMC      HEM 117  -2.386  -4.476  -4.476
  892    HAC  HEC 117           HAC      HEM 117  -1.453  -1.756  -1.756
  893   1HBC  HEC 117          1HBC      HEM 117   0.490  -1.220  -1.220
  894   2HBC  HEC 117          2HBC      HEM 117   1.462  -0.885  -0.885
  895   3HBC  HEC 117          3HBC      HEM 117   0.886  -2.532  -2.532
  896   1HMD  HEC 117          1HMD      HEM 117   1.865   2.899   2.899
  897   2HMD  HEC 117          2HMD      HEM 117   3.483   3.393   3.393
  898   3HMD  HEC 117          3HMD      HEM 117   3.232   1.805   1.805
  899   1HAD  HEC 117          1HAD      HEM 117   4.233   3.923   3.923
  900   2HAD  HEC 117          2HAD      HEM 117   3.567   4.026   4.026
  901   1HBD  HEC 117          1HBD      HEM 117   5.169   2.388   2.388
  902   2HBD  HEC 117          2HBD      HEM 117   5.562   1.894   1.894

  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -5.715 -13.301 -13.301
    2   2H    GLY   1          2H        GLY   1  -7.212 -14.053 -14.053
    3   1HA   GLY   1          1HA       GLY   1  -6.735 -11.139 -11.139
    4   2HA   GLY   1          2HA       GLY   1  -7.463 -12.067 -12.067
    5    H    ASP   2           HN       ASP   2  -8.279 -13.199 -13.199
    6    HA   ASP   2           HA       ASP   2 -11.069 -12.776 -12.776
    7   1HB   ASP   2          2HB       ASP   2  -9.470 -13.575 -13.575
    8   2HB   ASP   2          1HB       ASP   2 -11.219 -13.751 -13.751
    9    H    ALA   3           H        ALA   3 -10.842 -10.375 -10.375
   10    HA   ALA   3           HA       ALA   3 -10.383  -8.412  -8.412
   11   1HB   ALA   3          2HB       ALA   3 -11.238  -8.043  -8.043
   12   2HB   ALA   3          3HB       ALA   3 -12.852  -8.599  -8.599
   13   3HB   ALA   3          1HB       ALA   3 -12.170  -7.107  -7.107
   14    H    ALA   4           H        ALA   4 -13.223 -10.552 -10.552
   15    HA   ALA   4           HA       ALA   4 -14.672  -9.293  -9.293
   16   1HB   ALA   4          1HB       ALA   4 -14.406 -12.253 -12.253
   17   2HB   ALA   4          3HB       ALA   4 -15.650 -11.519 -11.519
   18   3HB   ALA   4          2HB       ALA   4 -15.581 -11.113 -11.113
   19    H    LYS   5           HN       LYS   5 -12.065 -11.776 -11.776
   20    HA   LYS   5           HA       LYS   5 -12.059 -11.960 -11.960
   21   1HB   LYS   5          2HB       LYS   5  -9.975 -12.785 -12.785
   22   2HB   LYS   5          1HB       LYS   5  -9.925 -13.150 -13.150
   23   1HG   LYS   5          1HG       LYS   5 -12.058 -14.399 -14.399
   24   2HG   LYS   5          2HG       LYS   5 -12.108 -14.068 -14.068
   25   1HD   LYS   5          1HD       LYS   5  -9.849 -15.204 -15.204
   26   2HD   LYS   5          2HD       LYS   5  -9.970 -15.670 -15.670
   27   1HE   LYS   5          1HE       LYS   5 -11.925 -16.440 -16.440
   28   2HE   LYS   5          2HE       LYS   5 -10.670 -17.484 -17.484
   29   1HZ   LYS   5          3HZ       LYS   5 -11.771 -17.330 -17.330
   30   2HZ   LYS   5          1HZ       LYS   5 -12.955 -16.379 -16.379
   31   3HZ   LYS   5          2HZ       LYS   5 -12.782 -17.936 -17.936
   32    H    GLY   6           H        GLY   6 -10.430 -10.087 -10.087
   33   1HA   GLY   6          1HA       GLY   6  -8.504  -8.725  -8.725
   34   2HA   GLY   6          2HA       GLY   6  -9.374  -8.055  -8.055
   35    H    GLU   7           HN       GLU   7 -11.909  -7.600  -7.600
   36    HA   GLU   7           HA       GLU   7 -11.636  -5.382  -5.382
   37   1HB   GLU   7          2HB       GLU   7 -14.041  -5.071  -5.071
   38   2HB   GLU   7          1HB       GLU   7 -13.220  -5.180  -5.180
   39   1HG   GLU   7          2HG       GLU   7 -15.269  -6.266  -6.266
   40   2HG   GLU   7          1HG       GLU   7 -14.028  -7.508  -7.508
   41    H    LYS   8           HN       LYS   8 -12.822  -8.740  -8.740
   42    HA   LYS   8           HA       LYS   8 -13.644  -8.216  -8.216
   43   1HB   LYS   8          2HB       LYS   8 -12.444 -10.732 -10.732
   44   2HB   LYS   8          1HB       LYS   8 -13.210 -10.659 -10.659
   45   1HG   LYS   8          2HG       LYS   8 -14.639  -9.950  -9.950
   46   2HG   LYS   8          1HG       LYS   8 -14.651 -11.536 -11.536
   47   1HD   LYS   8          2HD       LYS   8 -15.660 -10.490 -10.490
   48   2HD   LYS   8          1HD       LYS   8 -15.736  -8.943  -8.943
   49   1HE   LYS   8          1HE       LYS   8 -17.150  -9.995  -9.995
   50   2HE   LYS   8          2HE       LYS   8 -17.118 -11.525 -11.525
   51   1HZ   LYS   8          3HZ       LYS   8 -18.205  -8.978  -8.978
   52   2HZ   LYS   8          2HZ       LYS   8 -19.083 -10.268 -10.268
   53   3HZ   LYS   8          1HZ       LYS   8 -18.179 -10.394 -10.394
   54    H    GLU   9           HN       GLU   9 -10.476  -9.274  -9.274
   55    HA   GLU   9           HA       GLU   9  -9.057  -9.298  -9.298
   56   1HB   GLU   9          1HB       GLU   9  -8.176 -10.349 -10.349
   57   2HB   GLU   9          2HB       GLU   9  -8.174  -8.820  -8.820
   58   1HG   GLU   9          1HG       GLU   9  -5.919  -9.511  -9.511
   59   2HG   GLU   9          2HG       GLU   9  -6.381  -7.925  -7.925
   60    H    PHE  10           H        PHE  10  -9.815  -6.638  -6.638
   61    HA   PHE  10           HA       PHE  10  -8.157  -4.729  -4.729
   62   1HB   PHE  10          1HB       PHE  10  -9.834  -4.621  -4.621
   63   2HB   PHE  10          2HB       PHE  10 -10.921  -3.883  -3.883
   64    HD1  PHE  10           HD1      PHE  10  -7.672  -3.630  -3.630
   65    HD2  PHE  10           HD2      PHE  10 -10.314  -1.679  -1.679
   66    HE1  PHE  10           HE1      PHE  10  -6.129  -1.710  -1.710
   67    HE2  PHE  10           HE2      PHE  10  -8.706   0.200   0.200
   68    HZ   PHE  10           HZ       PHE  10  -6.564   0.131   0.131
   69    H    ASN  11           H        ASN  11 -10.909  -6.147  -6.147
   70    HA   ASN  11           HA       ASN  11 -11.495  -4.041  -4.041
   71   1HB   ASN  11          2HB       ASN  11 -11.674  -7.064  -7.064
   72   2HB   ASN  11          1HB       ASN  11 -12.082  -5.937  -5.937
   73   1HD2  ASN  11          1HD2      ASN  11 -14.585  -6.127  -6.127
   74   2HD2  ASN  11          2HD2      ASN  11 -12.975  -6.843  -6.843
   75    H    LYS  12           HN       LYS  12  -8.782  -6.450  -6.450
   76    HA   LYS  12           HA       LYS  12  -7.754  -5.608  -5.608
   77   1HB   LYS  12          2HB       LYS  12  -6.427  -6.962  -6.962
   78   2HB   LYS  12          1HB       LYS  12  -5.678  -6.698  -6.698
   79   1HG   LYS  12          1HG       LYS  12  -6.443  -8.941  -8.941
   80   2HG   LYS  12          2HG       LYS  12  -7.434  -8.071  -8.071
   81   1HD   LYS  12          2HD       LYS  12  -9.339  -8.039  -8.039
   82   2HD   LYS  12          1HD       LYS  12  -8.307  -8.576  -8.576
   83   1HE   LYS  12          2HE       LYS  12  -7.961 -10.700 -10.700
   84   2HE   LYS  12          1HE       LYS  12  -8.949 -10.169 -10.169
   85   1HZ   LYS  12          2HZ       LYS  12 -10.805  -9.969  -9.969
   86   2HZ   LYS  12          1HZ       LYS  12  -9.885 -10.462 -10.462
   87   3HZ   LYS  12          3HZ       LYS  12 -10.207 -11.504 -11.504
   88    H    CYS  13           H        CYS  13  -6.906  -4.818  -4.818
   89    HA   CYS  13           HA       CYS  13  -4.817  -3.030  -3.030
   90   1HB   CYS  13          1HB       CYS  13  -6.943  -2.721  -2.721
   91   2HB   CYS  13          2HB       CYS  13  -5.281  -2.116  -2.116
   92    H    LYS  14           HN       LYS  14  -8.295  -2.351  -2.351
   93    HA   LYS  14           HA       LYS  14  -8.472   0.376   0.376
   94   1HB   LYS  14          1HB       LYS  14 -10.334  -1.209  -1.209
   95   2HB   LYS  14          2HB       LYS  14 -10.035  -1.724  -1.724
   96   1HG   LYS  14          2HG       LYS  14 -10.609   0.534   0.534
   97   2HG   LYS  14          1HG       LYS  14 -10.896   1.054   1.054
   98   1HD   LYS  14          1HD       LYS  14 -12.718  -0.631  -0.631
   99   2HD   LYS  14          2HD       LYS  14 -12.354  -1.223  -1.223
  100   1HE   LYS  14          1HE       LYS  14 -14.299   0.235   0.235
  101   2HE   LYS  14          2HE       LYS  14 -12.951   0.990   0.990
  102   1HZ   LYS  14          3HZ       LYS  14 -13.827   1.636   1.636
  103   2HZ   LYS  14          1HZ       LYS  14 -14.088   2.547   2.547
  104   3HZ   LYS  14          2HZ       LYS  14 -12.563   2.343   2.343
  105    H    THR  15           H        THR  15  -7.291  -1.809  -1.809
  106    HA   THR  15           HA       THR  15  -7.595  -0.113  -0.113
  107    HB   THR  15           HB       THR  15  -5.399  -2.175  -2.175
  108    HG1  THR  15           HG1      THR  15  -7.246  -3.222  -3.222
  109   1HG2  THR  15          2HG2      THR  15  -6.865  -1.236  -1.236
  110   2HG2  THR  15          3HG2      THR  15  -5.712  -2.583  -2.583
  111   3HG2  THR  15          1HG2      THR  15  -5.156  -0.933  -0.933
  112    H    CYS  16           H        CYS  16  -5.348   0.024   0.024
  113    HA   CYS  16           HA       CYS  16  -3.799   2.192   2.192
  114   1HB   CYS  16          2HB       CYS  16  -2.977  -0.104  -0.104
  115   2HB   CYS  16          1HB       CYS  16  -2.016   1.378   1.378
  116    H    HIS  17           HN       HIS  17  -5.385   1.076   1.076
  117    HA   HIS  17           HA       HIS  17  -4.597   3.601   3.601
  118   1HB   HIS  17          1HB       HIS  17  -5.381   0.799   0.799
  119   2HB   HIS  17          2HB       HIS  17  -5.215   2.169   2.169
  120    HD1  HIS  17           HD1      HIS  17  -2.835   3.372   3.372
  121    HD2  HIS  17           HD2      HIS  17  -2.912  -0.448  -0.448
  122    HE1  HIS  17           HE1      HIS  17  -0.535   2.354   2.354
  123    H    SER  18           H        SER  18  -6.124   4.326   4.326
  124    HA   SER  18           HA       SER  18  -8.989   3.786   3.786
  125   1HB   SER  18          1HB       SER  18  -7.640   6.527   6.527
  126   2HB   SER  18          2HB       SER  18  -9.384   6.297   6.297
  127    HG   SER  18           HG       SER  18  -7.829   5.431   5.431
  128    H    ILE  19           H        ILE  19 -10.330   4.750   4.750
  129    HA   ILE  19           HA       ILE  19  -8.957   5.189   5.189
  130    HB   ILE  19           HB       ILE  19 -11.003   2.988   2.988
  131   1HG1  ILE  19          1HG1      ILE  19  -9.118   1.970   1.970
  132   2HG1  ILE  19          2HG1      ILE  19  -8.108   3.104   3.104
  133   1HG2  ILE  19          3HG2      ILE  19 -11.666   4.311   4.311
  134   2HG2  ILE  19          2HG2      ILE  19 -10.069   3.936   3.936
  135   3HG2  ILE  19          1HG2      ILE  19 -11.228   2.639   2.639
  136   1HD1  ILE  19          3HD1      ILE  19  -9.850   0.912   0.912
  137   2HD1  ILE  19          1HD1      ILE  19  -8.113   0.826   0.826
  138   3HD1  ILE  19          2HD1      ILE  19  -8.711   1.952   1.952
  139    H    ILE  20           H        ILE  20  -9.848   6.972   6.972
  140    HA   ILE  20           HA       ILE  20 -12.616   7.757   7.757
  141    HB   ILE  20           HB       ILE  20 -10.735   8.872   8.872
  142   1HG1  ILE  20          2HG1      ILE  20 -11.972  11.249  11.249
  143   2HG1  ILE  20          1HG1      ILE  20 -13.167   9.956   9.956
  144   1HG2  ILE  20          1HG2      ILE  20  -9.199   9.233   9.233
  145   2HG2  ILE  20          3HG2      ILE  20 -10.279  10.534  10.534
  146   3HG2  ILE  20          2HG2      ILE  20  -9.445  10.633  10.633
  147   1HD1  ILE  20          3HD1      ILE  20 -12.651   9.441   9.441
  148   2HD1  ILE  20          2HD1      ILE  20 -11.527  10.815  10.815
  149   3HD1  ILE  20          1HD1      ILE  20 -13.262  11.090  11.090
  150    H    ALA  21           H        ALA  21 -13.805   8.472   8.472
  151    HA   ALA  21           HA       ALA  21 -12.732   8.150   8.150
  152   1HB   ALA  21          1HB       ALA  21 -15.148   7.925   7.925
  153   2HB   ALA  21          3HB       ALA  21 -15.197   9.686   9.686
  154   3HB   ALA  21          2HB       ALA  21 -14.920   9.000   9.000
  155    HA   PRO  22           HA       PRO  22 -10.656  12.002  12.002
  156   1HB   PRO  22          1HB       PRO  22 -11.468  12.857  12.857
  157   2HB   PRO  22          2HB       PRO  22 -10.284  11.556  11.556
  158   1HG   PRO  22          1HG       PRO  22 -13.253  11.252  11.252
  159   2HG   PRO  22          2HG       PRO  22 -11.902  10.363  10.363
  160   1HD   PRO  22          2HD       PRO  22 -13.243   9.238   9.238
  161   2HD   PRO  22          1HD       PRO  22 -11.462   9.157   9.157
  162    H    ASP  23           HN       ASP  23 -14.149  12.025  12.025
  163    HA   ASP  23           HA       ASP  23 -14.517  14.860  14.860
  164   1HB   ASP  23          2HB       ASP  23 -16.933  14.190  14.190
  165   2HB   ASP  23          1HB       ASP  23 -16.073  13.552  13.552
  166    H    GLY  24           H        GLY  24 -13.706  12.499  12.499
  167   1HA   GLY  24          1HA       GLY  24 -13.402  13.105  13.105
  168   2HA   GLY  24          2HA       GLY  24 -14.789  14.188  14.188
  169    H    THR  25           H        THR  25 -16.199  11.670  11.670
  170    HA   THR  25           HA       THR  25 -17.564  10.800  10.800
  171    HB   THR  25           HB       THR  25 -17.405   9.411   9.411
  172    HG1  THR  25           HG1      THR  25 -18.191  11.469  11.469
  173   1HG2  THR  25          2HG2      THR  25 -19.440   9.212   9.212
  174   2HG2  THR  25          1HG2      THR  25 -19.619   8.507   8.507
  175   3HG2  THR  25          3HG2      THR  25 -18.349   7.913   7.913
  176    H    GLU  26           HN       GLU  26 -16.562   9.808   9.808
  177    HA   GLU  26           HA       GLU  26 -14.278   8.177   8.177
  178   1HB   GLU  26          1HB       GLU  26 -14.869   7.529   7.529
  179   2HB   GLU  26          2HB       GLU  26 -15.044   9.271   9.271
  180   1HG   GLU  26          1HG       GLU  26 -17.544   8.921   8.921
  181   2HG   GLU  26          2HG       GLU  26 -17.307   7.216   7.216
  182    H    ILE  27           H        ILE  27 -13.900   6.029   6.029
  183    HA   ILE  27           HA       ILE  27 -16.268   4.263   4.263
  184    HB   ILE  27           HB       ILE  27 -13.394   3.821   3.821
  185   1HG1  ILE  27          2HG1      ILE  27 -14.059   5.828   5.828
  186   2HG1  ILE  27          1HG1      ILE  27 -13.973   4.462   4.462
  187   1HG2  ILE  27          1HG2      ILE  27 -15.977   2.490   2.490
  188   2HG2  ILE  27          3HG2      ILE  27 -14.375   2.186   2.186
  189   3HG2  ILE  27          2HG2      ILE  27 -14.689   1.788   1.788
  190   1HD1  ILE  27          1HD1      ILE  27 -16.455   4.246   4.246
  191   2HD1  ILE  27          3HD1      ILE  27 -16.540   5.637   5.637
  192   3HD1  ILE  27          2HD1      ILE  27 -15.929   5.842   5.842
  193    H    VAL  28           H        VAL  28 -13.006   4.473   4.473
  194    HA   VAL  28           HA       VAL  28 -13.911   2.723   2.723
  195    HB   VAL  28           HB       VAL  28 -11.211   2.478   2.478
  196   1HG1  VAL  28          2HG1      VAL  28 -12.411   1.098   1.098
  197   2HG1  VAL  28          3HG1      VAL  28 -10.919   0.598   0.598
  198   3HG1  VAL  28          1HG1      VAL  28 -10.993   2.175   2.175
  199   1HG2  VAL  28          1HG2      VAL  28 -13.595   0.595   0.595
  200   2HG2  VAL  28          2HG2      VAL  28 -12.973   1.364   1.364
  201   3HG2  VAL  28          3HG2      VAL  28 -11.992   0.154   0.154
  202    H    LYS  29           HN       LYS  29 -14.171   4.384   4.384
  203    HA   LYS  29           HA       LYS  29 -12.039   6.432   6.432
  204   1HB   LYS  29          1HB       LYS  29 -14.367   7.167   7.167
  205   2HB   LYS  29          2HB       LYS  29 -14.695   6.028   6.028
  206   1HG   LYS  29          2HG       LYS  29 -13.132   7.266   7.266
  207   2HG   LYS  29          1HG       LYS  29 -12.575   8.218   8.218
  208   1HD   LYS  29          1HD       LYS  29 -13.931   9.699   9.699
  209   2HD   LYS  29          2HD       LYS  29 -14.967   9.137   9.137
  210   1HE   LYS  29          1HE       LYS  29 -15.032   8.212   8.212
  211   2HE   LYS  29          2HE       LYS  29 -16.156   9.342   9.342
  212   1HZ   LYS  29          2HZ       LYS  29 -16.758   7.527   7.527
  213   2HZ   LYS  29          3HZ       LYS  29 -15.861   6.496   6.496
  214   3HZ   LYS  29          1HZ       LYS  29 -17.159   7.261   7.261
  215    H    GLY  30           H        GLY  30 -10.488   4.706   4.706
  216   1HA   GLY  30          1HA       GLY  30 -10.799   3.146   3.146
  217   2HA   GLY  30          2HA       GLY  30  -9.597   2.923   2.923
  218    H    ALA  31           H        ALA  31  -7.952   3.098   3.098
  219    HA   ALA  31           HA       ALA  31  -7.579   5.713   5.713
  220   1HB   ALA  31          1HB       ALA  31  -6.897   3.582   3.582
  221   2HB   ALA  31          2HB       ALA  31  -5.723   3.343   3.343
  222   3HB   ALA  31          3HB       ALA  31  -5.543   4.712   4.712
  223    H    LYS  32           HN       LYS  32  -5.210   6.596   6.596
  224    HA   LYS  32           HA       LYS  32  -4.450   6.643   6.643
  225   1HB   LYS  32          2HB       LYS  32  -4.610   9.082   9.082
  226   2HB   LYS  32          1HB       LYS  32  -4.019   9.015   9.015
  227   1HG   LYS  32          2HG       LYS  32  -6.102   9.736   9.736
  228   2HG   LYS  32          1HG       LYS  32  -6.433   8.000   8.000
  229   1HD   LYS  32          2HD       LYS  32  -7.279   8.178   8.178
  230   2HD   LYS  32          1HD       LYS  32  -6.870   9.898   9.898
  231   1HE   LYS  32          1HE       LYS  32  -9.234   9.679   9.679
  232   2HE   LYS  32          2HE       LYS  32  -8.483  10.221  10.221
  233   1HZ   LYS  32          1HZ       LYS  32  -8.572   7.903   7.903
  234   2HZ   LYS  32          2HZ       LYS  32  -9.297   7.469   7.469
  235   3HZ   LYS  32          3HZ       LYS  32 -10.066   8.488   8.488
  236    H    THR  33           H        THR  33  -3.452   4.967   4.967
  237    HA   THR  33           HA       THR  33  -1.002   6.026   6.026
  238    HB   THR  33           HB       THR  33  -1.614   3.117   3.117
  239    HG1  THR  33           HG1      THR  33  -2.836   3.118   3.118
  240   1HG2  THR  33          2HG2      THR  33   0.576   3.684   3.684
  241   2HG2  THR  33          3HG2      THR  33  -0.270   4.501   4.501
  242   3HG2  THR  33          1HG2      THR  33  -0.447   2.747   2.747
  243    H    GLY  34           H        GLY  34  -2.133   4.438   4.438
  244   1HA   GLY  34          1HA       GLY  34   0.503   4.733   4.733
  245   2HA   GLY  34          2HA       GLY  34  -0.660   3.439   3.439
  246    HA   PRO  35           HA       PRO  35  -1.590   7.462   7.462
  247   1HB   PRO  35          1HB       PRO  35  -1.067   6.469   6.469
  248   2HB   PRO  35          2HB       PRO  35   0.134   7.258   7.258
  249   1HG   PRO  35          2HG       PRO  35  -0.384   4.297   4.297
  250   2HG   PRO  35          1HG       PRO  35   1.161   5.190   5.190
  251   1HD   PRO  35          2HD       PRO  35   0.562   4.032   4.032
  252   2HD   PRO  35          1HD       PRO  35   1.168   5.690   5.690
  253    H    ASN  36           H        ASN  36  -3.080   7.596   7.596
  254    HA   ASN  36           HA       ASN  36  -5.449   5.951   5.951
  255   1HB   ASN  36          2HB       ASN  36  -5.706   8.374   8.374
  256   2HB   ASN  36          1HB       ASN  36  -5.098   8.429   8.429
  257   1HD2  ASN  36          2HD2      ASN  36  -8.982   7.843   7.843
  258   2HD2  ASN  36          1HD2      ASN  36  -7.956   8.440   8.440
  259    H    LEU  37           H        LEU  37  -4.992   3.921   3.921
  260    HA   LEU  37           HA       LEU  37  -4.055   3.587   3.587
  261   1HB   LEU  37          2HB       LEU  37  -5.807   2.135   2.135
  262   2HB   LEU  37          1HB       LEU  37  -5.450   1.347   1.347
  263    HG   LEU  37           HG       LEU  37  -3.261   1.349   1.349
  264   1HD1  LEU  37          3HD2      LEU  37  -3.150   3.194   3.194
  265   2HD1  LEU  37          1HD2      LEU  37  -1.807   2.165   2.165
  266   3HD1  LEU  37          2HD2      LEU  37  -2.445   3.402   3.402
  267   1HD2  LEU  37          3HD1      LEU  37  -4.318  -0.375  -0.375
  268   2HD2  LEU  37          1HD1      LEU  37  -2.851   0.134   0.134
  269   3HD2  LEU  37          2HD1      LEU  37  -4.424   0.717   0.717
  270    H    TYR  38           H        TYR  38  -6.554   5.622   5.622
  271    HA   TYR  38           HA       TYR  38  -8.241   4.132   4.132
  272   1HB   TYR  38          2HB       TYR  38  -9.066   6.035   6.035
  273   2HB   TYR  38          1HB       TYR  38  -8.009   7.139   7.139
  274    HD1  TYR  38           HD1      TYR  38  -8.411   7.462   7.462
  275    HD2  TYR  38           HD2      TYR  38 -11.222   5.514   5.514
  276    HE1  TYR  38           HE1      TYR  38 -10.003   7.287   7.287
  277    HE2  TYR  38           HE2      TYR  38 -12.830   5.352   5.352
  278    HH   TYR  38           HH       TYR  38 -12.142   6.672   6.672
  279    H    GLY  39           H        GLY  39  -6.739   3.037   3.037
  280   1HA   GLY  39          1HA       GLY  39  -6.109   2.669   2.669
  281   2HA   GLY  39          2HA       GLY  39  -6.274   4.392   4.392
  282    H    VAL  40           H        VAL  40  -4.259   2.450   2.450
  283    HA   VAL  40           HA       VAL  40  -1.875   3.933   3.933
  284    HB   VAL  40           HB       VAL  40  -2.192   0.943   0.943
  285   1HG1  VAL  40          1HG2      VAL  40   0.137   2.855   2.855
  286   2HG1  VAL  40          3HG2      VAL  40   0.034   1.226   1.226
  287   3HG1  VAL  40          2HG2      VAL  40   0.116   1.413   1.413
  288   1HG2  VAL  40          2HG1      VAL  40  -2.100   3.379   3.379
  289   2HG2  VAL  40          3HG1      VAL  40  -3.398   2.157   2.157
  290   3HG2  VAL  40          1HG1      VAL  40  -1.837   1.712   1.712
  291    H    VAL  41           H        VAL  41  -3.190   1.300   1.300
  292    HA   VAL  41           HA       VAL  41  -0.880   0.564   0.564
  293    HB   VAL  41           HB       VAL  41  -3.799   0.651   0.651
  294   1HG1  VAL  41          2HG2      VAL  41  -1.436  -0.691  -0.691
  295   2HG1  VAL  41          1HG2      VAL  41  -3.144  -1.025  -1.025
  296   3HG1  VAL  41          3HG2      VAL  41  -2.479   0.578   0.578
  297   1HG2  VAL  41          3HG1      VAL  41  -3.208  -0.788  -0.788
  298   2HG2  VAL  41          1HG1      VAL  41  -3.633  -1.764  -1.764
  299   3HG2  VAL  41          2HG1      VAL  41  -1.923  -1.545  -1.545
  300    H    GLY  42           H        GLY  42   0.469   1.649   1.649
  301   1HA   GLY  42          1HA       GLY  42   1.042   2.950   2.950
  302   2HA   GLY  42          2HA       GLY  42  -0.439   3.903   3.903
  303    H    ARG  43           HN       ARG  43   0.193   3.936   3.936
  304    HA   ARG  43           HA       ARG  43   1.445   6.503   6.503
  305   1HB   ARG  43          2HB       ARG  43  -0.250   5.905   5.905
  306   2HB   ARG  43          1HB       ARG  43   0.957   4.844   4.844
  307   1HG   ARG  43          2HG       ARG  43   1.088   6.721   6.721
  308   2HG   ARG  43          1HG       ARG  43   2.442   6.957   6.957
  309   1HD   ARG  43          2HD       ARG  43  -0.283   8.315   8.315
  310   2HD   ARG  43          1HD       ARG  43   1.273   9.076   9.076
  311    HE   ARG  43           HE       ARG  43   0.021   8.548   8.548
  312   1HH1  ARG  43          2HH1      ARG  43   3.229   9.046   9.046
  313   2HH1  ARG  43          1HH1      ARG  43   3.977   9.372   9.372
  314   1HH2  ARG  43          1HH2      ARG  43   1.055   9.110   9.110
  315   2HH2  ARG  43          2HH2      ARG  43   2.749   9.525   9.525
  316    H    THR  44           H        THR  44   3.496   7.180   7.180
  317    HA   THR  44           HA       THR  44   5.655   5.487   5.487
  318    HB   THR  44           HB       THR  44   5.775   8.279   8.279
  319    HG1  THR  44           HG1      THR  44   5.229   7.561   7.561
  320   1HG2  THR  44          1HG2      THR  44   7.559   6.840   6.840
  321   2HG2  THR  44          2HG2      THR  44   7.765   8.505   8.505
  322   3HG2  THR  44          3HG2      THR  44   7.926   7.143   7.143
  323    H    ALA  45           H        ALA  45   5.024   3.935   3.935
  324    HA   ALA  45           HA       ALA  45   5.618   2.968   2.968
  325   1HB   ALA  45          1HB       ALA  45   7.989   3.634   3.634
  326   2HB   ALA  45          2HB       ALA  45   7.787   5.052   5.052
  327   3HB   ALA  45          3HB       ALA  45   7.684   3.418   3.418
  328    H    GLY  46           H        GLY  46   6.700   4.747   4.747
  329   1HA   GLY  46          1HA       GLY  46   4.095   5.426   5.426
  330   2HA   GLY  46          2HA       GLY  46   5.681   5.560   5.560
  331    H    THR  47           H        THR  47   3.672   7.010   7.010
  332    HA   THR  47           HA       THR  47   4.461   9.738   9.738
  333    HB   THR  47           HB       THR  47   4.468  10.431  10.431
  334    HG1  THR  47           HG1      THR  47   4.923   7.698   7.698
  335   1HG2  THR  47          2HG2      THR  47   6.578  10.140  10.140
  336   2HG2  THR  47          3HG2      THR  47   6.634   8.430   8.430
  337   3HG2  THR  47          1HG2      THR  47   6.743   9.691   9.691
  338    H    TYR  48           H        TYR  48   1.931   7.882   7.882
  339    HA   TYR  48           HA       TYR  48  -0.083   9.275   9.275
  340   1HB   TYR  48          1HB       TYR  48  -0.211   6.937   6.937
  341   2HB   TYR  48          2HB       TYR  48  -0.625   7.807   7.807
  342    HD1  TYR  48           HD1      TYR  48  -2.648   9.412   9.412
  343    HD2  TYR  48           HD2      TYR  48  -1.813   6.569   6.569
  344    HE1  TYR  48           HE1      TYR  48  -4.929   9.739   9.739
  345    HE2  TYR  48           HE2      TYR  48  -4.083   6.883   6.883
  346    HH   TYR  48           HH       TYR  48  -6.171   7.782   7.782
  347    HA   PRO  49           HA       PRO  49   0.503  12.975  12.975
  348   1HB   PRO  49          1HB       PRO  49  -2.415  13.507  13.507
  349   2HB   PRO  49          2HB       PRO  49  -1.043  14.621  14.621
  350   1HG   PRO  49          1HG       PRO  49  -2.172  13.420  13.420
  351   2HG   PRO  49          2HG       PRO  49  -0.397  13.584  13.584
  352   1HD   PRO  49          2HD       PRO  49  -2.077  11.134  11.134
  353   2HD   PRO  49          1HD       PRO  49  -0.474  11.309  11.309
  354    H    GLU  50           HN       GLU  50  -0.598  14.353  14.353
  355    HA   GLU  50           HA       GLU  50  -0.666  14.473  14.473
  356   1HB   GLU  50          2HB       GLU  50  -3.281  13.142  13.142
  357   2HB   GLU  50          1HB       GLU  50  -2.975  13.783  13.783
  358   1HG   GLU  50          1HG       GLU  50  -4.176  15.449  15.449
  359   2HG   GLU  50          2HG       GLU  50  -2.539  16.037  16.037
  360    H    PHE  51           H        PHE  51   1.206  12.707  12.707
  361    HA   PHE  51           HA       PHE  51   0.793  11.173  11.173
  362   1HB   PHE  51          1HB       PHE  51  -0.221   9.659   9.659
  363   2HB   PHE  51          2HB       PHE  51   1.362   9.582   9.582
  364    HD1  PHE  51           HD2      PHE  51  -0.553   8.899   8.899
  365    HD2  PHE  51           HD1      PHE  51   3.209   8.332   8.332
  366    HE1  PHE  51           HE2      PHE  51   0.248   7.504   7.504
  367    HE2  PHE  51           HE1      PHE  51   3.978   6.867   6.867
  368    HZ   PHE  51           HZ       PHE  51   2.472   6.404   6.404
  369    H    LYS  52           HN       LYS  52   2.624  11.394  11.394
  370    HA   LYS  52           HA       LYS  52   5.098  12.193  12.193
  371   1HB   LYS  52          2HB       LYS  52   4.442  13.103  13.103
  372   2HB   LYS  52          1HB       LYS  52   4.352  11.499  11.499
  373   1HG   LYS  52          2HG       LYS  52   6.396  12.730  12.730
  374   2HG   LYS  52          1HG       LYS  52   6.726  11.178  11.178
  375   1HD   LYS  52          2HD       LYS  52   7.277  12.344  12.344
  376   2HD   LYS  52          1HD       LYS  52   6.867  13.900  13.900
  377   1HE   LYS  52          1HE       LYS  52   9.289  13.549  13.549
  378   2HE   LYS  52          2HE       LYS  52   8.735  13.570  13.570
  379   1HZ   LYS  52          1HZ       LYS  52   9.216  11.129  11.129
  380   2HZ   LYS  52          2HZ       LYS  52  10.297  11.789  11.789
  381   3HZ   LYS  52          3HZ       LYS  52   8.855  11.207  11.207
  382    H    TYR  53           H        TYR  53   5.798  10.531  10.531
  383    HA   TYR  53           HA       TYR  53   6.132   7.779   7.779
  384   1HB   TYR  53          1HB       TYR  53   7.245   9.308   9.308
  385   2HB   TYR  53          2HB       TYR  53   7.354   7.562   7.562
  386    HD1  TYR  53           HD1      TYR  53   5.358   6.105   6.105
  387    HD2  TYR  53           HD2      TYR  53   5.191  10.309  10.309
  388    HE1  TYR  53           HE1      TYR  53   3.189   5.768   5.768
  389    HE2  TYR  53           HE2      TYR  53   2.981   9.996   9.996
  390    HH   TYR  53           HH       TYR  53   1.235   8.524   8.524
  391    H    LYS  54           HN       LYS  54   8.496   6.909   6.909
  392    HA   LYS  54           HA       LYS  54  10.476   8.338   8.338
  393   1HB   LYS  54          2HB       LYS  54  10.753   5.469   5.469
  394   2HB   LYS  54          1HB       LYS  54  11.498   6.342   6.342
  395   1HG   LYS  54          1HG       LYS  54   9.435   6.372   6.372
  396   2HG   LYS  54          2HG       LYS  54   8.529   5.656   5.656
  397   1HD   LYS  54          2HD       LYS  54   9.017   4.012   4.012
  398   2HD   LYS  54          1HD       LYS  54   9.720   3.562   3.562
  399   1HE   LYS  54          1HE       LYS  54  11.404   4.989   4.989
  400   2HE   LYS  54          2HE       LYS  54  11.090   3.252   3.252
  401   1HZ   LYS  54          1HZ       LYS  54  12.324   4.521   4.521
  402   2HZ   LYS  54          2HZ       LYS  54  13.108   3.673   3.673
  403   3HZ   LYS  54          3HZ       LYS  54  12.017   2.918   2.918
  404    H    ASP  55           HN       ASP  55  12.708   7.680   7.680
  405    HA   ASP  55           HA       ASP  55  13.144   8.769   8.769
  406   1HB   ASP  55          1HB       ASP  55  15.094   7.136   7.136
  407   2HB   ASP  55          2HB       ASP  55  15.491   8.333   8.333
  408    H    SER  56           H        SER  56  12.753   5.373   5.373
  409    HA   SER  56           HA       SER  56  14.383   4.154   4.154
  410   1HB   SER  56          2HB       SER  56  12.999   2.160   2.160
  411   2HB   SER  56          1HB       SER  56  13.992   3.058   3.058
  412    HG   SER  56           HG       SER  56  11.827   2.750   2.750
  413    H    ILE  57           H        ILE  57  10.949   3.998   3.998
  414    HA   ILE  57           HA       ILE  57  10.146   3.054   3.054
  415    HB   ILE  57           HB       ILE  57   8.999   3.177   3.177
  416   1HG1  ILE  57          2HG1      ILE  57   7.366   3.649   3.649
  417   2HG1  ILE  57          1HG1      ILE  57   8.074   2.110   2.110
  418   1HG2  ILE  57          3HG2      ILE  57   9.003   5.627   5.627
  419   2HG2  ILE  57          1HG2      ILE  57   7.822   5.757   5.757
  420   3HG2  ILE  57          2HG2      ILE  57   7.399   4.934   4.934
  421   1HD1  ILE  57          2HD1      ILE  57   6.685   2.121   2.121
  422   2HD1  ILE  57          1HD1      ILE  57   5.860   3.587   3.587
  423   3HD1  ILE  57          3HD1      ILE  57   5.754   2.079   2.079
  424    H    VAL  58           H        VAL  58  10.515   6.485   6.485
  425    HA   VAL  58           HA       VAL  58   9.455   7.606   7.606
  426    HB   VAL  58           HB       VAL  58  11.353   8.567   8.567
  427   1HG1  VAL  58          1HG1      VAL  58  10.122  10.115  10.115
  428   2HG1  VAL  58          3HG1      VAL  58  10.873  10.842  10.842
  429   3HG1  VAL  58          2HG1      VAL  58  11.864   9.879   9.879
  430   1HG2  VAL  58          1HG2      VAL  58   8.898   8.107   8.107
  431   2HG2  VAL  58          2HG2      VAL  58   9.383   9.797   9.797
  432   3HG2  VAL  58          3HG2      VAL  58   8.454   9.311   9.311
  433    H    ALA  59           H        ALA  59  12.849   6.755   6.755
  434    HA   ALA  59           HA       ALA  59  14.079   7.591   7.591
  435   1HB   ALA  59          1HB       ALA  59  14.888   5.361   5.361
  436   2HB   ALA  59          2HB       ALA  59  15.914   6.063   6.063
  437   3HB   ALA  59          3HB       ALA  59  15.374   7.070   7.070
  438    H    LEU  60           H        LEU  60  12.557   4.467   4.467
  439    HA   LEU  60           HA       LEU  60  13.212   3.044   3.044
  440   1HB   LEU  60          1HB       LEU  60  12.013   2.197   2.197
  441   2HB   LEU  60          2HB       LEU  60  10.536   2.907   2.907
  442    HG   LEU  60           HG       LEU  60  10.775   1.476   1.476
  443   1HD1  LEU  60          2HD2      LEU  60  12.927   0.083   0.083
  444   2HD1  LEU  60          1HD2      LEU  60  12.193  -0.549  -0.549
  445   3HD1  LEU  60          3HD2      LEU  60  13.185   0.905   0.905
  446   1HD2  LEU  60          3HD1      LEU  60  10.569   0.045   0.045
  447   2HD2  LEU  60          1HD1      LEU  60   9.248   0.881   0.881
  448   3HD2  LEU  60          2HD1      LEU  60   9.973  -0.573  -0.573
  449    H    GLY  61           H        GLY  61  10.367   5.153   5.153
  450   1HA   GLY  61          1HA       GLY  61   9.153   5.130   5.130
  451   2HA   GLY  61          2HA       GLY  61   9.143   6.485   6.485
  452    H    ALA  62           H        ALA  62  11.564   7.443   7.443
  453    HA   ALA  62           HA       ALA  62  11.973   8.952   8.952
  454   1HB   ALA  62          3HB       ALA  62  12.776   9.553   9.553
  455   2HB   ALA  62          2HB       ALA  62  14.042   8.310   8.310
  456   3HB   ALA  62          1HB       ALA  62  14.040   9.698   9.698
  457    H    SER  63           H        SER  63  13.378   5.798   5.798
  458    HA   SER  63           HA       SER  63  15.339   5.795   5.795
  459   1HB   SER  63          1HB       SER  63  14.112   3.416   3.416
  460   2HB   SER  63          2HB       SER  63  15.626   3.456   3.456
  461    HG   SER  63           HG       SER  63  15.067   5.004   5.004
  462    H    GLY  64           H        GLY  64  12.037   5.904   5.904
  463   1HA   GLY  64          1HA       GLY  64  10.998   5.822   5.822
  464   2HA   GLY  64          2HA       GLY  64  12.228   4.722   4.722
  465    H    PHE  65           H        PHE  65  10.536   4.319   4.319
  466    HA   PHE  65           HA       PHE  65   9.458   1.704   1.704
  467   1HB   PHE  65          1HB       PHE  65  10.688   1.739   1.739
  468   2HB   PHE  65          2HB       PHE  65   9.584   2.961   2.961
  469    HD1  PHE  65           HD1      PHE  65   7.102   2.414   2.414
  470    HD2  PHE  65           HD2      PHE  65  10.065  -0.609  -0.609
  471    HE1  PHE  65           HE1      PHE  65   5.677   0.730   0.730
  472    HE2  PHE  65           HE2      PHE  65   8.562  -2.324  -2.324
  473    HZ   PHE  65           HZ       PHE  65   6.416  -1.645  -1.645
  474    H    ALA  66           H        ALA  66   7.269   1.374   1.374
  475    HA   ALA  66           HA       ALA  66   5.343   3.426   3.426
  476   1HB   ALA  66          3HB       ALA  66   5.408   2.220   2.220
  477   2HB   ALA  66          2HB       ALA  66   4.109   3.230   3.230
  478   3HB   ALA  66          1HB       ALA  66   5.722   3.923   3.923
  479    H    TRP  67           H        TRP  67   3.621   2.373   2.373
  480    HA   TRP  67           HA       TRP  67   3.869  -0.371  -0.371
  481   1HB   TRP  67          1HB       TRP  67   1.847   1.872   1.872
  482   2HB   TRP  67          2HB       TRP  67   1.449   0.253   0.253
  483    HD1  TRP  67           HD1      TRP  67   2.417   3.144   3.144
  484    HE1  TRP  67           HE1      TRP  67   3.421   2.620   2.620
  485    HE3  TRP  67           HE3      TRP  67   3.487  -1.822  -1.822
  486    HZ2  TRP  67           HZ2      TRP  67   4.887   0.460   0.460
  487    HZ3  TRP  67           HZ3      TRP  67   4.818  -3.036  -3.036
  488    HH2  TRP  67           HH2      TRP  67   5.670  -1.839  -1.839
  489    H    THR  68           H        THR  68   2.462  -2.013  -2.013
  490    HA   THR  68           HA       THR  68   0.620  -1.759  -1.759
  491    HB   THR  68           HB       THR  68   1.570  -3.577  -3.577
  492    HG1  THR  68           HG1      THR  68   3.923  -3.818  -3.818
  493   1HG2  THR  68          1HG2      THR  68   2.566  -1.346  -1.346
  494   2HG2  THR  68          2HG2      THR  68   3.911  -1.725  -1.725
  495   3HG2  THR  68          3HG2      THR  68   3.656  -2.702  -2.702
  496    H    GLU  69           HN       GLU  69  -0.694  -3.859  -3.859
  497    HA   GLU  69           HA       GLU  69  -1.499  -4.723  -4.723
  498   1HB   GLU  69          1HB       GLU  69  -1.570  -6.255  -6.255
  499   2HB   GLU  69          2HB       GLU  69  -2.522  -6.635  -6.635
  500   1HG   GLU  69          1HG       GLU  69  -3.485  -4.281  -4.281
  501   2HG   GLU  69          2HG       GLU  69  -2.716  -4.107  -4.107
  502    H    GLU  70           HN       GLU  70   1.037  -5.977  -5.977
  503    HA   GLU  70           HA       GLU  70   1.558  -8.435  -8.435
  504   1HB   GLU  70          2HB       GLU  70   3.531  -6.854  -6.854
  505   2HB   GLU  70          1HB       GLU  70   3.490  -8.589  -8.589
  506   1HG   GLU  70          1HG       GLU  70   1.512  -6.967  -6.967
  507   2HG   GLU  70          2HG       GLU  70   2.734  -8.097  -8.097
  508    H    ASP  71           HN       ASP  71   3.256  -5.295  -5.295
  509    HA   ASP  71           HA       ASP  71   5.224  -5.829  -5.829
  510   1HB   ASP  71          1HB       ASP  71   3.925  -3.267  -3.267
  511   2HB   ASP  71          2HB       ASP  71   5.144  -3.268  -3.268
  512    H    ILE  72           H        ILE  72   1.992  -4.234  -4.234
  513    HA   ILE  72           HA       ILE  72   2.247  -3.962  -3.962
  514    HB   ILE  72           HB       ILE  72  -0.244  -4.387  -4.387
  515   1HG1  ILE  72          1HG1      ILE  72   1.035  -1.850  -1.850
  516   2HG1  ILE  72          2HG1      ILE  72   1.159  -2.360  -2.360
  517   1HG2  ILE  72          2HG2      ILE  72   0.051  -3.381  -3.381
  518   2HG2  ILE  72          1HG2      ILE  72  -1.457  -3.383  -3.383
  519   3HG2  ILE  72          3HG2      ILE  72  -0.713  -4.905  -4.905
  520   1HD1  ILE  72          2HD1      ILE  72  -1.377  -2.334  -2.334
  521   2HD1  ILE  72          3HD1      ILE  72  -1.364  -1.460  -1.460
  522   3HD1  ILE  72          1HD1      ILE  72  -0.566  -0.765  -0.765
  523    H    ALA  73           H        ALA  73   0.700  -6.613  -6.613
  524    HA   ALA  73           HA       ALA  73  -0.069  -8.265  -8.265
  525   1HB   ALA  73          3HB       ALA  73   0.969  -9.046  -9.046
  526   2HB   ALA  73          2HB       ALA  73   0.082 -10.113 -10.113
  527   3HB   ALA  73          1HB       ALA  73  -0.713  -8.676  -8.676
  528    H    THR  74           H        THR  74   3.151  -8.009  -8.009
  529    HA   THR  74           HA       THR  74   4.284 -10.203 -10.203
  530    HB   THR  74           HB       THR  74   5.679  -7.898  -7.898
  531    HG1  THR  74           HG1      THR  74   4.297  -8.977  -8.977
  532   1HG2  THR  74          3HG2      THR  74   6.601 -10.731 -10.731
  533   2HG2  THR  74          2HG2      THR  74   7.508  -9.539  -9.539
  534   3HG2  THR  74          1HG2      THR  74   7.194  -9.245  -9.245
  535    H    TYR  75           H        TYR  75   4.748  -6.638  -6.638
  536    HA   TYR  75           HA       TYR  75   6.243  -6.413  -6.413
  537   1HB   TYR  75          2HB       TYR  75   5.889  -4.510  -4.510
  538   2HB   TYR  75          1HB       TYR  75   4.157  -4.638  -4.638
  539    HD1  TYR  75           HD1      TYR  75   7.079  -3.821  -3.821
  540    HD2  TYR  75           HD2      TYR  75   2.811  -3.565  -3.565
  541    HE1  TYR  75           HE1      TYR  75   6.978  -1.984  -1.984
  542    HE2  TYR  75           HE2      TYR  75   2.722  -1.782  -1.782
  543    HH   TYR  75           HH       TYR  75   5.587  -0.445  -0.445
  544    H    VAL  76           H        VAL  76   2.623  -6.525  -6.525
  545    HA   VAL  76           HA       VAL  76   2.384  -6.098  -6.098
  546    HB   VAL  76           HB       VAL  76   0.285  -7.383  -7.383
  547   1HG1  VAL  76          1HG1      VAL  76   0.330  -4.988  -4.988
  548   2HG1  VAL  76          2HG1      VAL  76   0.691  -5.339  -5.339
  549   3HG1  VAL  76          3HG1      VAL  76  -0.870  -5.814  -5.814
  550   1HG2  VAL  76          1HG2      VAL  76   0.771  -9.120  -9.120
  551   2HG2  VAL  76          3HG2      VAL  76  -0.649  -8.173  -8.173
  552   3HG2  VAL  76          2HG2      VAL  76   0.895  -7.889  -7.889
  553    H    LYS  77           HN       LYS  77   3.240  -9.180  -9.180
  554    HA   LYS  77           HA       LYS  77   3.108 -10.543 -10.543
  555   1HB   LYS  77          2HB       LYS  77   3.543 -12.594 -12.594
  556   2HB   LYS  77          1HB       LYS  77   2.080 -11.759 -11.759
  557   1HG   LYS  77          2HG       LYS  77   3.125 -10.989 -10.989
  558   2HG   LYS  77          1HG       LYS  77   4.739 -11.482 -11.482
  559   1HD   LYS  77          1HD       LYS  77   4.037 -13.858 -13.858
  560   2HD   LYS  77          2HD       LYS  77   2.401 -13.360 -13.360
  561   1HE   LYS  77          2HE       LYS  77   3.648 -14.071 -14.071
  562   2HE   LYS  77          1HE       LYS  77   3.295 -12.339 -12.339
  563   1HZ   LYS  77          2HZ       LYS  77   5.558 -11.929 -11.929
  564   2HZ   LYS  77          1HZ       LYS  77   5.850 -13.545 -13.545
  565   3HZ   LYS  77          3HZ       LYS  77   5.546 -12.826 -12.826
  566    H    ASP  78           HN       ASP  78   5.427  -8.736  -8.736
  567    HA   ASP  78           HA       ASP  78   7.598  -9.879  -9.879
  568   1HB   ASP  78          2HB       ASP  78   9.105  -9.839  -9.839
  569   2HB   ASP  78          1HB       ASP  78   7.986 -11.203 -11.203
  570    HA   PRO  79           HA       PRO  79   7.473  -5.238  -5.238
  571   1HB   PRO  79          1HB       PRO  79   6.992  -4.474  -4.474
  572   2HB   PRO  79          2HB       PRO  79   5.692  -4.853  -4.853
  573   1HG   PRO  79          1HG       PRO  79   6.914  -6.703  -6.703
  574   2HG   PRO  79          2HG       PRO  79   5.185  -6.369  -6.369
  575   1HD   PRO  79          1HD       PRO  79   6.394  -8.553  -8.553
  576   2HD   PRO  79          2HD       PRO  79   5.196  -7.608  -7.608
  577    H    GLY  80           H        GLY  80   9.284  -4.043  -4.043
  578   1HA   GLY  80          1HA       GLY  80  11.322  -3.402  -3.402
  579   2HA   GLY  80          2HA       GLY  80  11.278  -4.771  -4.771
  580    H    ALA  81           H        ALA  81  11.191  -6.975  -6.975
  581    HA   ALA  81           HA       ALA  81  13.649  -7.408  -7.408
  582   1HB   ALA  81          2HB       ALA  81  11.048  -8.982  -8.982
  583   2HB   ALA  81          1HB       ALA  81  12.652  -9.560  -9.560
  584   3HB   ALA  81          3HB       ALA  81  12.321  -9.220  -9.220
  585    H    PHE  82           H        PHE  82  10.392  -6.939  -6.939
  586    HA   PHE  82           HA       PHE  82  10.821  -6.910  -6.910
  587   1HB   PHE  82          1HB       PHE  82   8.689  -6.495  -6.495
  588   2HB   PHE  82          2HB       PHE  82   9.219  -4.890  -4.890
  589    HD1  PHE  82           HD2      PHE  82   8.250  -7.123  -7.123
  590    HD2  PHE  82           HD1      PHE  82   9.077  -3.062  -3.062
  591    HE1  PHE  82           HE2      PHE  82   7.296  -6.285  -6.285
  592    HE2  PHE  82           HE1      PHE  82   8.070  -2.237  -2.237
  593    HZ   PHE  82           HZ       PHE  82   7.164  -3.868  -3.868
  594    H    LEU  83           H        LEU  83  11.430  -4.182  -4.182
  595    HA   LEU  83           HA       LEU  83  12.293  -2.359  -2.359
  596   1HB   LEU  83          1HB       LEU  83  12.471  -2.210  -2.210
  597   2HB   LEU  83          2HB       LEU  83  13.052  -0.978  -0.978
  598    HG   LEU  83           HG       LEU  83  10.489  -1.366  -1.366
  599   1HD1  LEU  83          3HD2      LEU  83   9.894  -2.843  -2.843
  600   2HD1  LEU  83          2HD2      LEU  83  10.369  -1.573  -1.573
  601   3HD1  LEU  83          1HD2      LEU  83   9.008  -1.308  -1.308
  602   1HD2  LEU  83          2HD1      LEU  83  11.595   0.822   0.822
  603   2HD2  LEU  83          3HD1      LEU  83   9.966   0.773   0.773
  604   3HD2  LEU  83          1HD1      LEU  83  11.379   0.568   0.568
  605    H    LYS  84           HN       LYS  84  14.052  -3.990  -3.990
  606    HA   LYS  84           HA       LYS  84  16.570  -3.202  -3.202
  607   1HB   LYS  84          1HB       LYS  84  16.052  -5.987  -5.987
  608   2HB   LYS  84          2HB       LYS  84  17.417  -4.912  -4.912
  609   1HG   LYS  84          2HG       LYS  84  16.401  -3.309  -3.309
  610   2HG   LYS  84          1HG       LYS  84  14.822  -4.058  -4.058
  611   1HD   LYS  84          1HD       LYS  84  15.655  -4.667  -4.667
  612   2HD   LYS  84          2HD       LYS  84  15.542  -6.066  -6.066
  613   1HE   LYS  84          1HE       LYS  84  17.647  -6.063  -6.063
  614   2HE   LYS  84          2HE       LYS  84  18.019  -5.990  -5.990
  615   1HZ   LYS  84          3HZ       LYS  84  17.965  -3.691  -3.691
  616   2HZ   LYS  84          1HZ       LYS  84  19.310  -4.441  -4.441
  617   3HZ   LYS  84          2HZ       LYS  84  18.325  -3.609  -3.609
  618    H    GLU  85           HN       GLU  85  14.708  -5.944  -5.944
  619    HA   GLU  85           HA       GLU  85  16.689  -7.142  -7.142
  620   1HB   GLU  85          1HB       GLU  85  14.368  -7.950  -7.950
  621   2HB   GLU  85          2HB       GLU  85  13.760  -6.604  -6.604
  622   1HG   GLU  85          1HG       GLU  85  15.037  -7.515  -7.515
  623   2HG   GLU  85          2HG       GLU  85  15.523  -8.890  -8.890
  624    H    LYS  86           HN       LYS  86  14.886  -4.123  -4.123
  625    HA   LYS  86           HA       LYS  86  16.026  -3.898  -3.898
  626   1HB   LYS  86          1HB       LYS  86  13.847  -2.329  -2.329
  627   2HB   LYS  86          2HB       LYS  86  14.282  -2.218  -2.218
  628   1HG   LYS  86          2HG       LYS  86  13.648  -4.602  -4.602
  629   2HG   LYS  86          1HG       LYS  86  13.246  -4.726  -4.726
  630   1HD   LYS  86          1HD       LYS  86  11.494  -3.014  -3.014
  631   2HD   LYS  86          2HD       LYS  86  11.844  -2.877  -2.877
  632   1HE   LYS  86          1HE       LYS  86   9.890  -4.328  -4.328
  633   2HE   LYS  86          2HE       LYS  86  11.201  -5.256  -5.256
  634   1HZ   LYS  86          1HZ       LYS  86  10.711  -5.176  -5.176
  635   2HZ   LYS  86          3HZ       LYS  86  10.068  -6.314  -6.314
  636   3HZ   LYS  86          2HZ       LYS  86  11.697  -6.208  -6.208
  637    H    LEU  87           H        LEU  87  15.601  -1.947  -1.947
  638    HA   LEU  87           HA       LEU  87  17.300   0.167   0.167
  639   1HB   LEU  87          1HB       LEU  87  15.230   0.551   0.551
  640   2HB   LEU  87          2HB       LEU  87  15.966  -0.253  -0.253
  641    HG   LEU  87           HG       LEU  87  17.621   1.559   1.559
  642   1HD1  LEU  87          3HD2      LEU  87  16.213   2.762   2.762
  643   2HD1  LEU  87          2HD2      LEU  87  17.350   3.634   3.634
  644   3HD1  LEU  87          1HD2      LEU  87  17.918   2.263   2.263
  645   1HD2  LEU  87          3HD1      LEU  87  15.393   1.758   1.758
  646   2HD2  LEU  87          2HD1      LEU  87  16.081   3.334   3.334
  647   3HD2  LEU  87          1HD1      LEU  87  14.788   2.630   2.630
  648    H    ASP  88           HN       ASP  88  17.861  -2.679  -2.679
  649    HA   ASP  88           HA       ASP  88  19.483  -3.404  -3.404
  650   1HB   ASP  88          2HB       ASP  88  20.133  -3.891  -3.891
  651   2HB   ASP  88          1HB       ASP  88  20.916  -2.313  -2.313
  652    H    ASP  89           HN       ASP  89  18.859  -1.605  -1.605
  653    HA   ASP  89           HA       ASP  89  21.385  -0.400  -0.400
  654   1HB   ASP  89          2HB       ASP  89  20.257   1.480   1.480
  655   2HB   ASP  89          1HB       ASP  89  18.749   1.105   1.105
  656    H    LYS  90           HN       LYS  90  21.541  -0.313  -0.313
  657    HA   LYS  90           HA       LYS  90  20.470  -2.488  -2.488
  658   1HB   LYS  90          2HB       LYS  90  22.583  -1.272  -1.272
  659   2HB   LYS  90          1HB       LYS  90  21.641   0.111   0.111
  660   1HG   LYS  90          2HG       LYS  90  20.645  -1.334  -1.334
  661   2HG   LYS  90          1HG       LYS  90  21.565  -2.720  -2.720
  662   1HD   LYS  90          2HD       LYS  90  23.692  -1.471  -1.471
  663   2HD   LYS  90          1HD       LYS  90  22.757  -0.137  -0.137
  664   1HE   LYS  90          1HE       LYS  90  22.821  -3.015  -3.015
  665   2HE   LYS  90          2HE       LYS  90  23.698  -1.643  -1.643
  666   1HZ   LYS  90          3HZ       LYS  90  21.593  -0.594  -0.594
  667   2HZ   LYS  90          1HZ       LYS  90  20.779  -1.891  -1.891
  668   3HZ   LYS  90          2HZ       LYS  90  21.695  -2.060  -2.060
  669    H    LYS  91           HN       LYS  91  19.348   0.879   0.879
  670    HA   LYS  91           HA       LYS  91  17.172   0.382   0.382
  671   1HB   LYS  91          2HB       LYS  91  18.181   3.012   3.012
  672   2HB   LYS  91          1HB       LYS  91  17.000   2.799   2.799
  673   1HG   LYS  91          1HG       LYS  91  18.783   1.616   1.616
  674   2HG   LYS  91          2HG       LYS  91  19.963   2.068   2.068
  675   1HD   LYS  91          2HD       LYS  91  18.279   4.010   4.010
  676   2HD   LYS  91          1HD       LYS  91  19.983   3.613   3.613
  677   1HE   LYS  91          2HE       LYS  91  20.520   4.486   4.486
  678   2HE   LYS  91          1HE       LYS  91  18.831   5.007   5.007
  679   1HZ   LYS  91          3HZ       LYS  91  19.131   6.396   6.396
  680   2HZ   LYS  91          1HZ       LYS  91  20.705   5.926   5.926
  681   3HZ   LYS  91          2HZ       LYS  91  20.221   6.772   6.772
  682    H    ALA  92           H        ALA  92  17.280  -0.508  -0.508
  683    HA   ALA  92           HA       ALA  92  15.093   1.088   1.088
  684   1HB   ALA  92          3HB       ALA  92  16.425  -1.471  -1.471
  685   2HB   ALA  92          2HB       ALA  92  15.150  -0.614  -0.614
  686   3HB   ALA  92          1HB       ALA  92  16.711   0.165   0.165
  687    H    LYS  93           HN       LYS  93  13.920   0.770   0.770
  688    HA   LYS  93           HA       LYS  93  12.234  -1.695  -1.695
  689   1HB   LYS  93          2HB       LYS  93  13.983  -1.670  -1.670
  690   2HB   LYS  93          1HB       LYS  93  13.277  -0.209  -0.209
  691   1HG   LYS  93          1HG       LYS  93  11.503  -2.629  -2.629
  692   2HG   LYS  93          2HG       LYS  93  12.730  -2.710  -2.710
  693   1HD   LYS  93          1HD       LYS  93  11.873  -0.795  -0.795
  694   2HD   LYS  93          2HD       LYS  93  10.774  -0.399  -0.399
  695   1HE   LYS  93          1HE       LYS  93   9.623  -2.641  -2.641
  696   2HE   LYS  93          2HE       LYS  93  10.642  -2.852  -2.852
  697   1HZ   LYS  93          2HZ       LYS  93   9.667  -0.803  -0.803
  698   2HZ   LYS  93          1HZ       LYS  93   8.731  -0.689  -0.689
  699   3HZ   LYS  93          3HZ       LYS  93   8.510  -1.940  -1.940
  700    H    THR  94           H        THR  94   9.948  -1.326  -1.326
  701    HA   THR  94           HA       THR  94   9.117   1.431   1.431
  702    HB   THR  94           HB       THR  94   8.412  -0.306  -0.306
  703    HG1  THR  94           HG1      THR  94   6.961   1.407   1.407
  704   1HG2  THR  94          1HG2      THR  94   7.163  -1.686  -1.686
  705   2HG2  THR  94          3HG2      THR  94   6.777  -2.082  -2.082
  706   3HG2  THR  94          2HG2      THR  94   8.417  -2.337  -2.337
  707    H    GLY  95           H        GLY  95   7.508   2.411   2.411
  708   1HA   GLY  95          1HA       GLY  95   7.696   2.064   2.064
  709   2HA   GLY  95          2HA       GLY  95   6.371   2.883   2.883
  710    H    MET  96           H        MET  96   5.648   0.388   0.388
  711    HA   MET  96           HA       MET  96   3.671  -0.572  -0.572
  712   1HB   MET  96          2HB       MET  96   3.843  -0.605  -0.605
  713   2HB   MET  96          1HB       MET  96   4.813  -2.050  -2.050
  714   1HG   MET  96          1HG       MET  96   3.142  -3.355  -3.355
  715   2HG   MET  96          2HG       MET  96   2.239  -2.009  -2.009
  716   1HE   MET  96          2HE       MET  96   2.896  -4.267  -4.267
  717   2HE   MET  96          1HE       MET  96   1.889  -3.483  -3.483
  718   3HE   MET  96          3HE       MET  96   3.383  -2.689  -2.689
  719    H    ALA  97           H        ALA  97   4.764  -1.121  -1.121
  720    HA   ALA  97           HA       ALA  97   6.232  -3.619  -3.619
  721   1HB   ALA  97          1HB       ALA  97   6.476  -1.795  -1.795
  722   2HB   ALA  97          3HB       ALA  97   4.774  -1.978  -1.978
  723   3HB   ALA  97          2HB       ALA  97   5.932  -3.292  -3.292
  724    H    PHE  98           H        PHE  98   4.345  -4.451  -4.451
  725    HA   PHE  98           HA       PHE  98   2.746  -6.394  -6.394
  726   1HB   PHE  98          1HB       PHE  98   1.116  -4.690  -4.690
  727   2HB   PHE  98          2HB       PHE  98   1.563  -3.863  -3.863
  728    HD1  PHE  98           HD2      PHE  98   0.834  -4.607  -4.607
  729    HD2  PHE  98           HD1      PHE  98  -0.516  -6.597  -6.597
  730    HE1  PHE  98           HE2      PHE  98  -0.820  -5.842  -5.842
  731    HE2  PHE  98           HE1      PHE  98  -2.250  -7.772  -7.772
  732    HZ   PHE  98           HZ       PHE  98  -2.412  -7.412  -7.412
  733    H    LYS  99           HN       LYS  99   1.800  -7.849  -7.849
  734    HA   LYS  99           HA       LYS  99   2.453  -7.334  -7.334
  735   1HB   LYS  99          1HB       LYS  99   3.659  -9.400  -9.400
  736   2HB   LYS  99          2HB       LYS  99   4.553  -8.380  -8.380
  737   1HG   LYS  99          1HG       LYS  99   3.937  -9.792  -9.792
  738   2HG   LYS  99          2HG       LYS  99   2.864 -10.765 -10.765
  739   1HD   LYS  99          1HD       LYS  99   4.783 -11.415 -11.415
  740   2HD   LYS  99          2HD       LYS  99   5.878 -10.484 -10.484
  741   1HE   LYS  99          1HE       LYS  99   5.266 -11.937 -11.937
  742   2HE   LYS  99          2HE       LYS  99   4.145 -12.843 -12.843
  743   1HZ   LYS  99          3HZ       LYS  99   6.004 -13.485 -13.485
  744   2HZ   LYS  99          1HZ       LYS  99   7.049 -12.653 -12.653
  745   3HZ   LYS  99          2HZ       LYS  99   6.232 -13.953 -13.953
  746    H    LEU 100           H        LEU 100   1.712  -9.421  -9.421
  747    HA   LEU 100           HA       LEU 100  -0.959 -10.155 -10.155
  748   1HB   LEU 100          1HB       LEU 100  -0.854  -8.801  -8.801
  749   2HB   LEU 100          2HB       LEU 100   0.144 -10.082 -10.082
  750    HG   LEU 100           HG       LEU 100  -1.819 -11.674 -11.674
  751   1HD1  LEU 100          1HD1      LEU 100  -3.312  -9.119  -9.119
  752   2HD1  LEU 100          2HD1      LEU 100  -4.030 -10.709 -10.709
  753   3HD1  LEU 100          3HD1      LEU 100  -3.049 -10.487 -10.487
  754   1HD2  LEU 100          3HD2      LEU 100  -2.244  -9.223  -9.223
  755   2HD2  LEU 100          1HD2      LEU 100  -1.334 -10.704 -10.704
  756   3HD2  LEU 100          2HD2      LEU 100  -3.096 -10.780 -10.780
  757    H    ALA 101           H        ALA 101  -1.430 -12.399 -12.399
  758    HA   ALA 101           HA       ALA 101   0.976 -14.182 -14.182
  759   1HB   ALA 101          2HB       ALA 101   0.124 -14.015 -14.015
  760   2HB   ALA 101          1HB       ALA 101  -1.499 -14.482 -14.482
  761   3HB   ALA 101          3HB       ALA 101  -0.140 -15.637 -15.637
  762    H    LYS 102           HN       LYS 102  -0.393 -13.173 -13.173
  763    HA   LYS 102           HA       LYS 102  -1.507 -15.622 -15.622
  764   1HB   LYS 102          1HB       LYS 102  -3.106 -13.035 -13.035
  765   2HB   LYS 102          2HB       LYS 102  -3.429 -14.332 -14.332
  766   1HG   LYS 102          1HG       LYS 102  -3.687 -15.918 -15.918
  767   2HG   LYS 102          2HG       LYS 102  -3.644 -14.534 -14.534
  768   1HD   LYS 102          1HD       LYS 102  -5.621 -14.902 -14.902
  769   2HD   LYS 102          2HD       LYS 102  -5.961 -15.338 -15.338
  770   1HE   LYS 102          1HE       LYS 102  -5.350 -12.501 -12.501
  771   2HE   LYS 102          2HE       LYS 102  -6.949 -13.158 -13.158
  772   1HZ   LYS 102          1HZ       LYS 102  -6.243 -13.552 -13.552
  773   2HZ   LYS 102          3HZ       LYS 102  -4.779 -12.863 -12.863
  774   3HZ   LYS 102          2HZ       LYS 102  -6.152 -11.957 -11.957
  775    H    GLY 103           H        GLY 103  -1.837 -15.254 -15.254
  776   1HA   GLY 103          1HA       GLY 103   0.548 -14.358 -14.358
  777   2HA   GLY 103          2HA       GLY 103  -0.963 -14.727 -14.727
  778    H    GLY 104           H        GLY 104  -1.989 -12.369 -12.369
  779   1HA   GLY 104          1HA       GLY 104  -2.317 -10.120 -10.120
  780   2HA   GLY 104          2HA       GLY 104  -0.845 -10.027 -10.027
  781    H    GLU 105           HN       GLU 105  -1.896 -11.703 -11.703
  782    HA   GLU 105           HA       GLU 105  -2.856  -9.958  -9.958
  783   1HB   GLU 105          1HB       GLU 105  -3.766 -11.890 -11.890
  784   2HB   GLU 105          2HB       GLU 105  -2.117 -12.106 -12.106
  785   1HG   GLU 105          1HG       GLU 105  -2.971 -13.494 -13.494
  786   2HG   GLU 105          2HG       GLU 105  -4.617 -13.300 -13.300
  787    H    ASP 106           HN       ASP 106  -4.922 -11.594 -11.594
  788    HA   ASP 106           HA       ASP 106  -7.461 -10.872 -10.872
  789   1HB   ASP 106          1HB       ASP 106  -8.298 -11.432 -11.432
  790   2HB   ASP 106          2HB       ASP 106  -7.232 -12.691 -12.691
  791    H    VAL 107           H        VAL 107  -5.300  -9.380  -9.380
  792    HA   VAL 107           HA       VAL 107  -7.078  -7.158  -7.158
  793    HB   VAL 107           HB       VAL 107  -4.075  -7.344  -7.344
  794   1HG1  VAL 107          1HG1      VAL 107  -6.330  -5.772  -5.772
  795   2HG1  VAL 107          3HG1      VAL 107  -4.642  -5.833  -5.833
  796   3HG1  VAL 107          2HG1      VAL 107  -5.041  -5.098  -5.098
  797   1HG2  VAL 107          2HG2      VAL 107  -6.367  -8.345  -8.345
  798   2HG2  VAL 107          1HG2      VAL 107  -5.062  -9.327  -9.327
  799   3HG2  VAL 107          3HG2      VAL 107  -4.692  -8.139  -8.139
  800    H    ALA 108           H        ALA 108  -4.258  -7.760  -7.760
  801    HA   ALA 108           HA       ALA 108  -3.971  -5.146  -5.146
  802   1HB   ALA 108          1HB       ALA 108  -2.328  -6.965  -6.965
  803   2HB   ALA 108          3HB       ALA 108  -3.452  -7.784  -7.784
  804   3HB   ALA 108          2HB       ALA 108  -2.794  -6.197  -6.197
  805    H    ALA 109           H        ALA 109  -6.016  -7.881  -7.881
  806    HA   ALA 109           HA       ALA 109  -7.151  -6.524  -6.524
  807   1HB   ALA 109          2HB       ALA 109  -8.356  -8.707  -8.707
  808   2HB   ALA 109          1HB       ALA 109  -8.951  -8.202  -8.202
  809   3HB   ALA 109          3HB       ALA 109  -7.342  -8.927  -8.927
  810    H    TYR 110           H        TYR 110  -8.247  -6.716  -6.716
  811    HA   TYR 110           HA       TYR 110 -10.561  -5.096  -5.096
  812   1HB   TYR 110          2HB       TYR 110 -10.350  -6.201  -6.201
  813   2HB   TYR 110          1HB       TYR 110  -8.721  -5.608  -5.608
  814    HD1  TYR 110           HD1      TYR 110 -12.204  -4.263  -4.263
  815    HD2  TYR 110           HD2      TYR 110  -8.395  -3.783  -3.783
  816    HE1  TYR 110           HE1      TYR 110 -13.064  -2.265  -2.265
  817    HE2  TYR 110           HE2      TYR 110  -9.236  -1.747  -1.747
  818    HH   TYR 110           HH       TYR 110 -11.055  -0.417  -0.417
  819    H    LEU 111           H        LEU 111  -7.173  -4.044  -4.044
  820    HA   LEU 111           HA       LEU 111  -7.725  -1.306  -1.306
  821   1HB   LEU 111          2HB       LEU 111  -5.233  -2.970  -2.970
  822   2HB   LEU 111          1HB       LEU 111  -5.216  -1.224  -1.224
  823    HG   LEU 111           HG       LEU 111  -6.241  -3.061  -3.061
  824   1HD1  LEU 111          3HD2      LEU 111  -3.844  -3.404  -3.404
  825   2HD1  LEU 111          2HD2      LEU 111  -3.559  -1.650  -1.650
  826   3HD1  LEU 111          1HD2      LEU 111  -4.118  -2.564  -2.564
  827   1HD2  LEU 111          1HD1      LEU 111  -5.629  -0.078  -0.078
  828   2HD2  LEU 111          2HD1      LEU 111  -7.212  -0.829  -0.829
  829   3HD2  LEU 111          3HD1      LEU 111  -5.919  -1.015  -1.015
  830    H    ALA 112           H        ALA 112  -6.865  -3.449  -3.449
  831    HA   ALA 112           HA       ALA 112  -6.603  -1.335  -1.335
  832   1HB   ALA 112          3HB       ALA 112  -5.901  -3.651  -3.651
  833   2HB   ALA 112          1HB       ALA 112  -7.596  -4.181  -4.181
  834   3HB   ALA 112          2HB       ALA 112  -6.998  -3.052  -3.052
  835    H    SER 113           H        SER 113  -9.454  -3.256  -3.256
  836    HA   SER 113           HA       SER 113 -11.357  -1.984  -1.984
  837   1HB   SER 113          2HB       SER 113 -11.695  -4.115  -4.115
  838   2HB   SER 113          1HB       SER 113 -11.909  -3.106  -3.106
  839    HG   SER 113           HG       SER 113 -13.546  -1.971  -1.971
  840    H    VAL 114           H        VAL 114  -9.884  -0.916  -0.916
  841    HA   VAL 114           HA       VAL 114 -11.801   1.126   1.126
  842    HB   VAL 114           HB       VAL 114  -8.913   0.770   0.770
  843   1HG1  VAL 114          3HG1      VAL 114 -10.937   2.719   2.719
  844   2HG1  VAL 114          2HG1      VAL 114  -9.386   2.269   2.269
  845   3HG1  VAL 114          1HG1      VAL 114  -9.403   3.117   3.117
  846   1HG2  VAL 114          3HG2      VAL 114 -10.636  -0.955  -0.955
  847   2HG2  VAL 114          2HG2      VAL 114  -9.824  -0.045  -0.045
  848   3HG2  VAL 114          1HG2      VAL 114 -11.476   0.378   0.378
  849    H    VAL 115           H        VAL 115  -9.129   0.985   0.985
  850    HA   VAL 115           HA       VAL 115  -8.743   3.792   3.792
  851    HB   VAL 115           HB       VAL 115  -8.260   1.509   1.509
  852   1HG1  VAL 115          3HG1      VAL 115  -7.184   4.359   4.359
  853   2HG1  VAL 115          1HG1      VAL 115  -6.624   3.080   3.080
  854   3HG1  VAL 115          2HG1      VAL 115  -8.275   3.686   3.686
  855   1HG2  VAL 115          3HG2      VAL 115  -6.957   1.277   1.277
  856   2HG2  VAL 115          2HG2      VAL 115  -5.967   1.508   1.508
  857   3HG2  VAL 115          1HG2      VAL 115  -6.244   2.870   2.870
  858    H    LYS 116           HN       LYS 116 -10.744   4.746   4.746
  859    HA   LYS 116           HA       LYS 116 -12.111   4.637   4.637
  860   1HB   LYS 116          1HB       LYS 116 -13.435   4.687   4.687
  861   2HB   LYS 116          2HB       LYS 116 -14.281   4.910   4.910
  862   1HG   LYS 116          1HG       LYS 116 -13.617   2.641   2.641
  863   2HG   LYS 116          2HG       LYS 116 -12.783   2.368   2.368
  864   1HD   LYS 116          1HD       LYS 116 -15.774   2.852   2.852
  865   2HD   LYS 116          2HD       LYS 116 -14.981   1.319   1.319
  866   1HE   LYS 116          2HE       LYS 116 -15.187   3.799   3.799
  867   2HE   LYS 116          1HE       LYS 116 -15.900   2.205   2.205
  868   1HZ   LYS 116          3HZ       LYS 116 -13.619   1.345   1.345
  869   2HZ   LYS 116          1HZ       LYS 116 -13.047   2.887   2.887
  870   3HZ   LYS 116          2HZ       LYS 116 -13.990   2.411   2.411
  871    HHA  HEC 117           HHA      HEM 117   2.766   2.442   2.442
  872    HHB  HEC 117           HHB      HEM 117  -1.248  -1.953  -1.953
  873    HHC  HEC 117           HHC      HEM 117  -2.567  -3.745  -3.745
  874    HHD  HEC 117           HHD      HEM 117   1.375   0.835   0.835
  875   1HMA  HEC 117          1HMA      HEM 117   0.931  -1.562  -1.562
  876   2HMA  HEC 117          2HMA      HEM 117  -0.524  -0.530  -0.530
  877   3HMA  HEC 117          3HMA      HEM 117   1.056   0.119   0.119
  878   1HAA  HEC 117          1HAA      HEM 117   3.648   1.385   1.385
  879   2HAA  HEC 117          2HAA      HEM 117   2.825   1.084   1.084
  880   1HBA  HEC 117          1HBA      HEM 117   3.408   3.492   3.492
  881   2HBA  HEC 117          2HBA      HEM 117   2.136   3.464   3.464
  882   1HMB  HEC 117          1HMB      HEM 117  -2.722  -4.425  -4.425
  883   2HMB  HEC 117          2HMB      HEM 117  -3.348  -2.768  -2.768
  884   3HMB  HEC 117          3HMB      HEM 117  -4.289  -3.958  -3.958
  885    HAB  HEC 117           HAB      HEM 117  -3.592  -5.069  -5.069
  886   1HBB  HEC 117          1HBB      HEM 117  -2.343  -6.482  -6.482
  887   2HBB  HEC 117          2HBB      HEM 117  -4.026  -6.984  -6.984
  888   3HBB  HEC 117          3HBB      HEM 117  -3.586  -6.115  -6.115
  889   1HMC  HEC 117          1HMC      HEM 117  -2.325  -4.123  -4.123
  890   2HMC  HEC 117          2HMC      HEM 117  -3.141  -2.717  -2.717
  891   3HMC  HEC 117          3HMC      HEM 117  -1.708  -3.432  -3.432
  892    HAC  HEC 117           HAC      HEM 117  -0.664  -1.693  -1.693
  893   1HBC  HEC 117          1HBC      HEM 117   1.658  -0.655  -0.655
  894   2HBC  HEC 117          2HBC      HEM 117   0.766  -0.298  -0.298
  895   3HBC  HEC 117          3HBC      HEM 117   0.790   0.906   0.906
  896   1HMD  HEC 117          1HMD      HEM 117   3.386   2.006   2.006
  897   2HMD  HEC 117          2HMD      HEM 117   2.193   3.310   3.310
  898   3HMD  HEC 117          3HMD      HEM 117   3.818   3.505   3.505
  899   1HAD  HEC 117          1HAD      HEM 117   3.377   4.199   4.199
  900   2HAD  HEC 117          2HAD      HEM 117   4.037   4.265   4.265
  901   1HBD  HEC 117          1HBD      HEM 117   5.341   2.145   2.145
  902   2HBD  HEC 117          2HBD      HEM 117   4.942   2.492   2.492

  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -7.243 -12.453 -12.453
    2   2H    GLY   1          2H        GLY   1  -6.947 -10.873 -10.873
    3   1HA   GLY   1          1HA       GLY   1  -6.565 -13.304 -13.304
    4   2HA   GLY   1          2HA       GLY   1  -6.213 -11.649 -11.649
    5    H    ASP   2           HN       ASP   2  -7.958 -13.428 -13.428
    6    HA   ASP   2           HA       ASP   2 -10.692 -13.014 -13.014
    7   1HB   ASP   2          2HB       ASP   2  -9.395 -13.707 -13.707
    8   2HB   ASP   2          1HB       ASP   2 -11.074 -13.993 -13.993
    9    H    ALA   3           H        ALA   3 -10.399 -10.591 -10.591
   10    HA   ALA   3           HA       ALA   3 -10.135  -8.627  -8.627
   11   1HB   ALA   3          2HB       ALA   3 -10.625  -8.216  -8.216
   12   2HB   ALA   3          3HB       ALA   3 -12.300  -8.768  -8.768
   13   3HB   ALA   3          1HB       ALA   3 -11.733  -7.289  -7.289
   14    H    ALA   4           H        ALA   4 -13.040 -10.663 -10.663
   15    HA   ALA   4           HA       ALA   4 -14.741  -9.352  -9.352
   16   1HB   ALA   4          3HB       ALA   4 -15.485 -11.143 -11.143
   17   2HB   ALA   4          2HB       ALA   4 -14.515 -12.331 -12.331
   18   3HB   ALA   4          1HB       ALA   4 -15.892 -11.527 -11.527
   19    H    LYS   5           HN       LYS   5 -12.134 -11.737 -11.737
   20    HA   LYS   5           HA       LYS   5 -12.737 -11.969 -11.969
   21   1HB   LYS   5          1HB       LYS   5 -10.314 -12.847 -12.847
   22   2HB   LYS   5          2HB       LYS   5 -10.591 -13.176 -13.176
   23   1HG   LYS   5          1HG       LYS   5 -12.664 -14.419 -14.419
   24   2HG   LYS   5          2HG       LYS   5 -12.382 -14.114 -14.114
   25   1HD   LYS   5          1HD       LYS   5 -10.197 -15.337 -15.337
   26   2HD   LYS   5          2HD       LYS   5 -10.489 -15.610 -15.610
   27   1HE   LYS   5          2HE       LYS   5 -11.046 -17.617 -17.617
   28   2HE   LYS   5          1HE       LYS   5 -12.521 -16.940 -16.940
   29   1HZ   LYS   5          2HZ       LYS   5 -11.631 -16.586 -16.586
   30   2HZ   LYS   5          1HZ       LYS   5 -12.811 -17.616 -17.616
   31   3HZ   LYS   5          3HZ       LYS   5 -13.026 -15.989 -15.989
   32    H    GLY   6           H        GLY   6 -10.491 -10.305 -10.305
   33   1HA   GLY   6          1HA       GLY   6  -8.816  -8.953  -8.953
   34   2HA   GLY   6          2HA       GLY   6  -9.393  -8.305  -8.305
   35    H    GLU   7           HN       GLU   7 -12.070  -7.867  -7.867
   36    HA   GLU   7           HA       GLU   7 -12.267  -5.429  -5.429
   37   1HB   GLU   7          1HB       GLU   7 -14.379  -7.555  -7.555
   38   2HB   GLU   7          2HB       GLU   7 -14.763  -5.963  -5.963
   39   1HG   GLU   7          2HG       GLU   7 -13.878  -4.835  -4.835
   40   2HG   GLU   7          1HG       GLU   7 -13.310  -6.350  -6.350
   41    H    LYS   8           HN       LYS   8 -13.176  -8.679  -8.679
   42    HA   LYS   8           HA       LYS   8 -14.041  -7.756  -7.756
   43   1HB   LYS   8          2HB       LYS   8 -13.125 -10.525 -10.525
   44   2HB   LYS   8          1HB       LYS   8 -13.993 -10.137 -10.137
   45   1HG   LYS   8          2HG       LYS   8 -15.903  -9.264  -9.264
   46   2HG   LYS   8          1HG       LYS   8 -15.053  -9.709  -9.709
   47   1HD   LYS   8          2HD       LYS   8 -14.996 -12.083 -12.083
   48   2HD   LYS   8          1HD       LYS   8 -15.905 -11.640 -11.640
   49   1HE   LYS   8          2HE       LYS   8 -17.773 -10.803 -10.803
   50   2HE   LYS   8          1HE       LYS   8 -16.861 -11.270 -11.270
   51   1HZ   LYS   8          1HZ       LYS   8 -16.940 -13.532 -13.532
   52   2HZ   LYS   8          2HZ       LYS   8 -17.787 -13.098 -13.098
   53   3HZ   LYS   8          3HZ       LYS   8 -18.461 -12.916 -12.916
   54    H    GLU   9           HN       GLU   9 -11.030  -9.201  -9.201
   55    HA   GLU   9           HA       GLU   9  -9.564  -9.342  -9.342
   56   1HB   GLU   9          1HB       GLU   9  -9.006 -10.288 -10.288
   57   2HB   GLU   9          2HB       GLU   9  -8.426  -8.681  -8.681
   58   1HG   GLU   9          2HG       GLU   9  -7.385 -10.387 -10.387
   59   2HG   GLU   9          1HG       GLU   9  -6.633 -10.259 -10.259
   60    H    PHE  10           H        PHE  10 -10.012  -6.609  -6.609
   61    HA   PHE  10           HA       PHE  10  -8.236  -4.837  -4.837
   62   1HB   PHE  10          1HB       PHE  10  -9.730  -4.607  -4.607
   63   2HB   PHE  10          2HB       PHE  10 -10.909  -3.873  -3.873
   64    HD1  PHE  10           HD1      PHE  10  -7.440  -3.606  -3.606
   65    HD2  PHE  10           HD2      PHE  10 -10.486  -1.644  -1.644
   66    HE1  PHE  10           HE1      PHE  10  -6.039  -1.572  -1.572
   67    HE2  PHE  10           HE2      PHE  10  -9.076   0.397   0.397
   68    HZ   PHE  10           HZ       PHE  10  -6.843   0.425   0.425
   69    H    ASN  11           H        ASN  11 -11.207  -5.939  -5.939
   70    HA   ASN  11           HA       ASN  11 -11.738  -3.778  -3.778
   71   1HB   ASN  11          1HB       ASN  11 -13.057  -5.949  -5.949
   72   2HB   ASN  11          2HB       ASN  11 -11.965  -6.705  -6.705
   73   1HD2  ASN  11          2HD2      ASN  11 -13.421  -4.317  -4.317
   74   2HD2  ASN  11          1HD2      ASN  11 -11.799  -4.451  -4.451
   75    H    LYS  12           HN       LYS  12  -9.115  -6.181  -6.181
   76    HA   LYS  12           HA       LYS  12  -8.194  -5.625  -5.625
   77   1HB   LYS  12          2HB       LYS  12  -6.708  -6.842  -6.842
   78   2HB   LYS  12          1HB       LYS  12  -6.247  -6.916  -6.916
   79   1HG   LYS  12          2HG       LYS  12  -8.681  -8.265  -8.265
   80   2HG   LYS  12          1HG       LYS  12  -7.165  -9.009  -9.009
   81   1HD   LYS  12          1HD       LYS  12  -8.368  -9.581  -9.581
   82   2HD   LYS  12          2HD       LYS  12  -7.772  -8.023  -8.023
   83   1HE   LYS  12          2HE       LYS  12  -9.967  -6.984  -6.984
   84   2HE   LYS  12          1HE       LYS  12 -10.495  -8.552  -8.552
   85   1HZ   LYS  12          3HZ       LYS  12 -10.323  -9.417  -9.417
   86   2HZ   LYS  12          2HZ       LYS  12  -9.820  -7.957  -7.957
   87   3HZ   LYS  12          1HZ       LYS  12 -11.337  -8.119  -8.119
   88    H    CYS  13           H        CYS  13  -7.145  -4.747  -4.747
   89    HA   CYS  13           HA       CYS  13  -5.008  -3.050  -3.050
   90   1HB   CYS  13          1HB       CYS  13  -7.011  -2.608  -2.608
   91   2HB   CYS  13          2HB       CYS  13  -5.332  -2.055  -2.055
   92    H    LYS  14           HN       LYS  14  -8.455  -2.302  -2.302
   93    HA   LYS  14           HA       LYS  14  -8.548   0.407   0.407
   94   1HB   LYS  14          1HB       LYS  14 -10.490  -1.047  -1.047
   95   2HB   LYS  14          2HB       LYS  14 -10.369  -1.739  -1.739
   96   1HG   LYS  14          1HG       LYS  14 -10.914   0.479   0.479
   97   2HG   LYS  14          2HG       LYS  14 -11.096   1.145   1.145
   98   1HD   LYS  14          2HD       LYS  14 -12.901  -0.596  -0.596
   99   2HD   LYS  14          1HD       LYS  14 -12.662  -1.185  -1.185
  100   1HE   LYS  14          1HE       LYS  14 -13.712   1.572   1.572
  101   2HE   LYS  14          2HE       LYS  14 -14.617   0.247   0.247
  102   1HZ   LYS  14          1HZ       LYS  14 -13.113   0.483   0.483
  103   2HZ   LYS  14          3HZ       LYS  14 -12.461   1.830   1.830
  104   3HZ   LYS  14          2HZ       LYS  14 -14.046   1.813   1.813
  105    H    THR  15           H        THR  15  -7.543  -1.905  -1.905
  106    HA   THR  15           HA       THR  15  -8.169  -0.323  -0.323
  107    HB   THR  15           HB       THR  15  -5.657  -2.005  -2.005
  108    HG1  THR  15           HG1      THR  15  -7.358  -3.299  -3.299
  109   1HG2  THR  15          3HG2      THR  15  -7.245  -1.283  -1.283
  110   2HG2  THR  15          1HG2      THR  15  -5.858  -2.387  -2.387
  111   3HG2  THR  15          2HG2      THR  15  -5.630  -0.664  -0.664
  112    H    CYS  16           H        CYS  16  -5.494  -0.135  -0.135
  113    HA   CYS  16           HA       CYS  16  -4.348   2.245   2.245
  114   1HB   CYS  16          1HB       CYS  16  -3.144   0.244   0.244
  115   2HB   CYS  16          2HB       CYS  16  -2.312   1.696   1.696
  116    H    HIS  17           HN       HIS  17  -5.450   1.000   1.000
  117    HA   HIS  17           HA       HIS  17  -4.654   3.509   3.509
  118   1HB   HIS  17          1HB       HIS  17  -5.535   0.736   0.736
  119   2HB   HIS  17          2HB       HIS  17  -5.333   2.094   2.094
  120    HD1  HIS  17           HD1      HIS  17  -2.924   3.255   3.255
  121    HD2  HIS  17           HD2      HIS  17  -3.081  -0.527  -0.527
  122    HE1  HIS  17           HE1      HIS  17  -0.600   2.251   2.251
  123    H    SER  18           H        SER  18  -6.179   4.335   4.335
  124    HA   SER  18           HA       SER  18  -9.040   3.942   3.942
  125   1HB   SER  18          1HB       SER  18  -7.654   6.654   6.654
  126   2HB   SER  18          2HB       SER  18  -9.391   6.371   6.371
  127    HG   SER  18           HG       SER  18  -7.381   5.498   5.498
  128    H    ILE  19           H        ILE  19 -10.406   4.417   4.417
  129    HA   ILE  19           HA       ILE  19  -9.096   4.888   4.888
  130    HB   ILE  19           HB       ILE  19 -11.383   2.990   2.990
  131   1HG1  ILE  19          2HG1      ILE  19  -8.559   2.542   2.542
  132   2HG1  ILE  19          1HG1      ILE  19  -9.113   2.077   2.077
  133   1HG2  ILE  19          3HG2      ILE  19 -11.620   4.375   4.375
  134   2HG2  ILE  19          1HG2      ILE  19 -10.096   3.646   3.646
  135   3HG2  ILE  19          2HG2      ILE  19 -11.531   2.641   2.641
  136   1HD1  ILE  19          3HD1      ILE  19 -10.764   0.534   0.534
  137   2HD1  ILE  19          2HD1      ILE  19 -10.154   0.930   0.930
  138   3HD1  ILE  19          1HD1      ILE  19  -9.098   0.136   0.136
  139    H    ILE  20           H        ILE  20  -9.959   6.617   6.617
  140    HA   ILE  20           HA       ILE  20 -12.279   8.005   8.005
  141    HB   ILE  20           HB       ILE  20  -9.843   8.716   8.716
  142   1HG1  ILE  20          2HG1      ILE  20 -10.551  11.260  11.260
  143   2HG1  ILE  20          1HG1      ILE  20 -12.099  10.482  10.482
  144   1HG2  ILE  20          2HG2      ILE  20  -8.946   8.631   8.631
  145   2HG2  ILE  20          3HG2      ILE  20  -9.834  10.128  10.128
  146   3HG2  ILE  20          1HG2      ILE  20  -8.580  10.082  10.082
  147   1HD1  ILE  20          1HD1      ILE  20 -11.957   9.374   9.374
  148   2HD1  ILE  20          2HD1      ILE  20 -10.478  10.300  10.300
  149   3HD1  ILE  20          3HD1      ILE  20 -12.014  11.154  11.154
  150    H    ALA  21           H        ALA  21 -13.659   8.818   8.818
  151    HA   ALA  21           HA       ALA  21 -13.159   8.017   8.017
  152   1HB   ALA  21          2HB       ALA  21 -15.442   8.230   8.230
  153   2HB   ALA  21          1HB       ALA  21 -15.202   9.985   9.985
  154   3HB   ALA  21          3HB       ALA  21 -15.266   9.162   9.162
  155    HA   PRO  22           HA       PRO  22 -10.799  11.545  11.545
  156   1HB   PRO  22          2HB       PRO  22 -12.945  12.010  12.010
  157   2HB   PRO  22          1HB       PRO  22 -11.169  12.025  12.025
  158   1HG   PRO  22          1HG       PRO  22 -12.562   9.820   9.820
  159   2HG   PRO  22          2HG       PRO  22 -11.069   9.631   9.631
  160   1HD   PRO  22          1HD       PRO  22 -13.934   9.594   9.594
  161   2HD   PRO  22          2HD       PRO  22 -12.591   8.482   8.482
  162    H    ASP  23           HN       ASP  23 -14.308  12.083  12.083
  163    HA   ASP  23           HA       ASP  23 -14.189  14.940  14.940
  164   1HB   ASP  23          1HB       ASP  23 -16.623  14.631  14.631
  165   2HB   ASP  23          2HB       ASP  23 -16.120  13.869  13.869
  166    H    GLY  24           H        GLY  24 -13.366  12.448  12.448
  167   1HA   GLY  24          1HA       GLY  24 -12.616  12.973  12.973
  168   2HA   GLY  24          2HA       GLY  24 -13.822  14.242  14.242
  169    H    THR  25           H        THR  25 -15.872  12.049  12.049
  170    HA   THR  25           HA       THR  25 -16.943  11.331  11.331
  171    HB   THR  25           HB       THR  25 -17.339   9.936   9.936
  172    HG1  THR  25           HG1      THR  25 -17.921  12.067  12.067
  173   1HG2  THR  25          3HG2      THR  25 -19.040   9.943   9.943
  174   2HG2  THR  25          2HG2      THR  25 -19.528   9.279   9.279
  175   3HG2  THR  25          1HG2      THR  25 -18.191   8.535   8.535
  176    H    GLU  26           HN       GLU  26 -16.200   9.959   9.959
  177    HA   GLU  26           HA       GLU  26 -13.913   8.304   8.304
  178   1HB   GLU  26          2HB       GLU  26 -15.836   8.128   8.128
  179   2HB   GLU  26          1HB       GLU  26 -14.133   7.653   7.653
  180   1HG   GLU  26          2HG       GLU  26 -13.675  10.171  10.171
  181   2HG   GLU  26          1HG       GLU  26 -15.315  10.459  10.459
  182    H    ILE  27           H        ILE  27 -13.764   6.222   6.222
  183    HA   ILE  27           HA       ILE  27 -16.274   4.683   4.683
  184    HB   ILE  27           HB       ILE  27 -13.400   4.031   4.031
  185   1HG1  ILE  27          1HG1      ILE  27 -13.935   5.969   5.969
  186   2HG1  ILE  27          2HG1      ILE  27 -14.117   4.582   4.582
  187   1HG2  ILE  27          2HG2      ILE  27 -16.030   2.742   2.742
  188   2HG2  ILE  27          1HG2      ILE  27 -14.441   2.374   2.374
  189   3HG2  ILE  27          3HG2      ILE  27 -14.754   2.031   2.031
  190   1HD1  ILE  27          2HD1      ILE  27 -16.637   4.685   4.685
  191   2HD1  ILE  27          3HD1      ILE  27 -16.331   6.228   6.228
  192   3HD1  ILE  27          1HD1      ILE  27 -15.955   6.053   6.053
  193    H    VAL  28           H        VAL  28 -13.078   4.480   4.480
  194    HA   VAL  28           HA       VAL  28 -14.374   3.339   3.339
  195    HB   VAL  28           HB       VAL  28 -12.725   1.542   1.542
  196   1HG1  VAL  28          1HG1      VAL  28 -15.018   1.023   1.023
  197   2HG1  VAL  28          2HG1      VAL  28 -14.435   1.049   1.049
  198   3HG1  VAL  28          3HG1      VAL  28 -13.812  -0.156  -0.156
  199   1HG2  VAL  28          1HG2      VAL  28 -10.986   2.250   2.250
  200   2HG2  VAL  28          3HG2      VAL  28 -11.476   0.559   0.559
  201   3HG2  VAL  28          2HG2      VAL  28 -12.096   1.731   1.731
  202    H    LYS  29           HN       LYS  29 -13.326   4.026   4.026
  203    HA   LYS  29           HA       LYS  29 -10.890   5.702   5.702
  204   1HB   LYS  29          2HB       LYS  29 -12.970   6.992   6.992
  205   2HB   LYS  29          1HB       LYS  29 -13.102   6.038   6.038
  206   1HG   LYS  29          1HG       LYS  29 -10.739   6.825   6.825
  207   2HG   LYS  29          2HG       LYS  29 -10.837   7.916   7.916
  208   1HD   LYS  29          2HD       LYS  29 -12.805   9.022   9.022
  209   2HD   LYS  29          1HD       LYS  29 -12.738   7.896   7.896
  210   1HE   LYS  29          2HE       LYS  29 -10.518   9.845   9.845
  211   2HE   LYS  29          1HE       LYS  29 -11.674  10.089  10.089
  212   1HZ   LYS  29          1HZ       LYS  29 -10.804   8.130   8.130
  213   2HZ   LYS  29          3HZ       LYS  29  -9.702   7.905   7.905
  214   3HZ   LYS  29          2HZ       LYS  29  -9.615   9.242   9.242
  215    H    GLY  30           H        GLY  30  -9.191   5.112   5.112
  216   1HA   GLY  30          1HA       GLY  30  -9.504   3.049   3.049
  217   2HA   GLY  30          2HA       GLY  30  -8.038   3.378   3.378
  218    H    ALA  31           H        ALA  31  -7.303   3.314   3.314
  219    HA   ALA  31           HA       ALA  31  -7.608   5.935   5.935
  220   1HB   ALA  31          1HB       ALA  31  -7.496   3.832   3.832
  221   2HB   ALA  31          2HB       ALA  31  -5.870   3.517   3.517
  222   3HB   ALA  31          3HB       ALA  31  -6.157   4.926   4.926
  223    H    LYS  32           HN       LYS  32  -6.781   6.357   6.357
  224    HA   LYS  32           HA       LYS  32  -4.999   6.484   6.484
  225   1HB   LYS  32          2HB       LYS  32  -6.279   8.561   8.561
  226   2HB   LYS  32          1HB       LYS  32  -4.883   8.976   8.976
  227   1HG   LYS  32          2HG       LYS  32  -4.801  10.199  10.199
  228   2HG   LYS  32          1HG       LYS  32  -3.475   9.034   9.034
  229   1HD   LYS  32          2HD       LYS  32  -4.726   7.564   7.564
  230   2HD   LYS  32          1HD       LYS  32  -6.178   8.571   8.571
  231   1HE   LYS  32          2HE       LYS  32  -5.048   9.050   9.050
  232   2HE   LYS  32          1HE       LYS  32  -4.976  10.470  10.470
  233   1HZ   LYS  32          2HZ       LYS  32  -2.754   9.817   9.817
  234   2HZ   LYS  32          1HZ       LYS  32  -2.828   8.506   8.506
  235   3HZ   LYS  32          3HZ       LYS  32  -2.863  10.041  10.041
  236    H    THR  33           H        THR  33  -3.723   4.700   4.700
  237    HA   THR  33           HA       THR  33  -1.231   5.749   5.749
  238    HB   THR  33           HB       THR  33  -1.661   2.834   2.834
  239    HG1  THR  33           HG1      THR  33  -3.333   4.479   4.479
  240   1HG2  THR  33          2HG2      THR  33   0.301   3.717   3.717
  241   2HG2  THR  33          1HG2      THR  33  -0.782   4.484   4.484
  242   3HG2  THR  33          3HG2      THR  33  -0.734   2.715   2.715
  243    H    GLY  34           H        GLY  34  -2.531   4.247   4.247
  244   1HA   GLY  34          1HA       GLY  34   0.130   4.407   4.407
  245   2HA   GLY  34          2HA       GLY  34  -1.122   3.220   3.220
  246    HA   PRO  35           HA       PRO  35  -1.644   7.379   7.379
  247   1HB   PRO  35          1HB       PRO  35  -0.903   6.514   6.514
  248   2HB   PRO  35          2HB       PRO  35   0.215   7.211   7.211
  249   1HG   PRO  35          1HG       PRO  35  -0.337   4.286   4.286
  250   2HG   PRO  35          2HG       PRO  35   1.242   5.125   5.125
  251   1HD   PRO  35          2HD       PRO  35   0.348   3.856   3.856
  252   2HD   PRO  35          1HD       PRO  35   1.018   5.483   5.483
  253    H    ASN  36           H        ASN  36  -2.966   7.709   7.709
  254    HA   ASN  36           HA       ASN  36  -5.443   6.206   6.206
  255   1HB   ASN  36          2HB       ASN  36  -5.681   8.567   8.567
  256   2HB   ASN  36          1HB       ASN  36  -4.467   8.621   8.621
  257   1HD2  ASN  36          1HD2      ASN  36  -8.055   6.970   6.970
  258   2HD2  ASN  36          2HD2      ASN  36  -7.417   6.475   6.475
  259    H    LEU  37           H        LEU  37  -5.606   4.311   4.311
  260    HA   LEU  37           HA       LEU  37  -3.691   3.800   3.800
  261   1HB   LEU  37          1HB       LEU  37  -5.612   1.914   1.914
  262   2HB   LEU  37          2HB       LEU  37  -4.427   1.461   1.461
  263    HG   LEU  37           HG       LEU  37  -3.836   2.528   2.528
  264   1HD1  LEU  37          3HD1      LEU  37  -3.324  -0.148  -0.148
  265   2HD1  LEU  37          2HD1      LEU  37  -2.748   0.265   0.265
  266   3HD1  LEU  37          1HD1      LEU  37  -4.484   0.159   0.159
  267   1HD2  LEU  37          1HD2      LEU  37  -1.949   1.945   1.945
  268   2HD2  LEU  37          2HD2      LEU  37  -2.106   3.463   3.463
  269   3HD2  LEU  37          3HD2      LEU  37  -1.410   2.034   2.034
  270    H    TYR  38           H        TYR  38  -6.565   5.317   5.317
  271    HA   TYR  38           HA       TYR  38  -8.172   3.903   3.903
  272   1HB   TYR  38          2HB       TYR  38  -8.903   5.985   5.985
  273   2HB   TYR  38          1HB       TYR  38  -7.576   6.870   6.870
  274    HD1  TYR  38           HD2      TYR  38 -10.695   4.906   4.906
  275    HD2  TYR  38           HD1      TYR  38  -7.751   7.626   7.626
  276    HE1  TYR  38           HE2      TYR  38 -11.995   5.100   5.100
  277    HE2  TYR  38           HE1      TYR  38  -9.030   7.768   7.768
  278    HH   TYR  38           HH       TYR  38 -11.022   7.240   7.240
  279    H    GLY  39           H        GLY  39  -7.422   2.719   2.719
  280   1HA   GLY  39          1HA       GLY  39  -6.605   2.227   2.227
  281   2HA   GLY  39          2HA       GLY  39  -6.745   3.964   3.964
  282    H    VAL  40           H        VAL  40  -4.721   2.491   2.491
  283    HA   VAL  40           HA       VAL  40  -2.411   3.880   3.880
  284    HB   VAL  40           HB       VAL  40  -2.663   2.931   2.931
  285   1HG1  VAL  40          1HG1      VAL  40  -2.454   0.169   0.169
  286   2HG1  VAL  40          2HG1      VAL  40  -2.415   0.515   0.515
  287   3HG1  VAL  40          3HG1      VAL  40  -3.876   0.849   0.849
  288   1HG2  VAL  40          3HG2      VAL  40  -0.356   3.275   3.275
  289   2HG2  VAL  40          2HG2      VAL  40  -0.422   2.034   2.034
  290   3HG2  VAL  40          1HG2      VAL  40  -0.299   1.557   1.557
  291    H    VAL  41           H        VAL  41  -3.530   0.764   0.764
  292    HA   VAL  41           HA       VAL  41  -1.093  -0.085  -0.085
  293    HB   VAL  41           HB       VAL  41  -4.012  -0.538  -0.538
  294   1HG1  VAL  41          3HG1      VAL  41  -1.584  -1.866  -1.866
  295   2HG1  VAL  41          2HG1      VAL  41  -3.276  -2.373  -2.373
  296   3HG1  VAL  41          1HG1      VAL  41  -2.755  -0.815  -0.815
  297   1HG2  VAL  41          1HG2      VAL  41  -3.175  -1.550  -1.550
  298   2HG2  VAL  41          3HG2      VAL  41  -3.610  -2.773  -2.773
  299   3HG2  VAL  41          2HG2      VAL  41  -1.903  -2.381  -2.381
  300    H    GLY  42           H        GLY  42   0.120   1.041   1.041
  301   1HA   GLY  42          1HA       GLY  42   0.507   1.942   1.942
  302   2HA   GLY  42          2HA       GLY  42  -1.155   2.528   2.528
  303    H    ARG  43           HN       ARG  43  -0.620   3.413   3.413
  304    HA   ARG  43           HA       ARG  43   0.113   6.142   6.142
  305   1HB   ARG  43          2HB       ARG  43  -1.635   5.017   5.017
  306   2HB   ARG  43          1HB       ARG  43  -0.259   5.433   5.433
  307   1HG   ARG  43          2HG       ARG  43  -1.716   7.296   7.296
  308   2HG   ARG  43          1HG       ARG  43  -0.395   7.787   7.787
  309   1HD   ARG  43          2HD       ARG  43  -2.541   8.520   8.520
  310   2HD   ARG  43          1HD       ARG  43  -1.857   7.331   7.331
  311    HE   ARG  43           HE       ARG  43  -3.423   5.726   5.726
  312   1HH1  ARG  43          1HH1      ARG  43  -4.226   8.818   8.818
  313   2HH1  ARG  43          2HH1      ARG  43  -5.887   8.320   8.320
  314   1HH2  ARG  43          2HH2      ARG  43  -5.488   5.162   5.162
  315   2HH2  ARG  43          1HH2      ARG  43  -6.643   6.279   6.279
  316    H    THR  44           H        THR  44   1.947   7.254   7.254
  317    HA   THR  44           HA       THR  44   4.343   5.833   5.833
  318    HB   THR  44           HB       THR  44   3.778   8.627   8.627
  319    HG1  THR  44           HG1      THR  44   4.187   7.722   7.722
  320   1HG2  THR  44          3HG2      THR  44   6.240   7.351   7.351
  321   2HG2  THR  44          2HG2      THR  44   6.073   9.066   9.066
  322   3HG2  THR  44          1HG2      THR  44   6.085   7.833   7.833
  323    H    ALA  45           H        ALA  45   5.370   4.830   4.830
  324    HA   ALA  45           HA       ALA  45   3.985   4.543   4.543
  325   1HB   ALA  45          1HB       ALA  45   6.812   3.745   3.745
  326   2HB   ALA  45          3HB       ALA  45   5.975   3.215   3.215
  327   3HB   ALA  45          2HB       ALA  45   5.343   2.739   2.739
  328    H    GLY  46           H        GLY  46   4.739   5.103   5.103
  329   1HA   GLY  46          1HA       GLY  46   5.596   6.450   6.450
  330   2HA   GLY  46          2HA       GLY  46   7.028   6.593   6.593
  331    H    THR  47           H        THR  47   3.948   7.819   7.819
  332    HA   THR  47           HA       THR  47   4.451  10.514  10.514
  333    HB   THR  47           HB       THR  47   6.057  10.355  10.355
  334    HG1  THR  47           HG1      THR  47   3.830  12.053  12.053
  335   1HG2  THR  47          1HG2      THR  47   4.839   8.767   8.767
  336   2HG2  THR  47          2HG2      THR  47   3.609  10.006  10.006
  337   3HG2  THR  47          3HG2      THR  47   5.287  10.256  10.256
  338    H    TYR  48           H        TYR  48   2.170   8.465   8.465
  339    HA   TYR  48           HA       TYR  48   0.083   9.786   9.786
  340   1HB   TYR  48          2HB       TYR  48   0.205   7.341   7.341
  341   2HB   TYR  48          1HB       TYR  48  -0.525   8.146   8.146
  342    HD1  TYR  48           HD2      TYR  48  -2.563   9.815   9.815
  343    HD2  TYR  48           HD1      TYR  48  -1.265   6.358   6.358
  344    HE1  TYR  48           HE2      TYR  48  -4.664   9.860   9.860
  345    HE2  TYR  48           HE1      TYR  48  -3.462   6.276   6.276
  346    HH   TYR  48           HH       TYR  48  -5.542   7.237   7.237
  347    HA   PRO  49           HA       PRO  49   0.515  13.204  13.204
  348   1HB   PRO  49          1HB       PRO  49  -2.380  13.831  13.831
  349   2HB   PRO  49          2HB       PRO  49  -0.987  14.935  14.935
  350   1HG   PRO  49          2HG       PRO  49  -2.075  13.979  13.979
  351   2HG   PRO  49          1HG       PRO  49  -0.305  14.117  14.117
  352   1HD   PRO  49          1HD       PRO  49  -2.005  11.646  11.646
  353   2HD   PRO  49          2HD       PRO  49  -0.382  11.879  11.879
  354    H    GLU  50           HN       GLU  50  -0.566  14.378  14.378
  355    HA   GLU  50           HA       GLU  50  -0.821  14.307  14.307
  356   1HB   GLU  50          1HB       GLU  50  -3.167  14.331  14.331
  357   2HB   GLU  50          2HB       GLU  50  -3.273  12.618  12.618
  358   1HG   GLU  50          1HG       GLU  50  -2.931  13.267  13.267
  359   2HG   GLU  50          2HG       GLU  50  -2.845  14.964  14.964
  360    H    PHE  51           H        PHE  51   1.194  12.690  12.690
  361    HA   PHE  51           HA       PHE  51   0.906  10.957  10.957
  362   1HB   PHE  51          2HB       PHE  51  -0.082   9.552   9.552
  363   2HB   PHE  51          1HB       PHE  51   1.545   9.506   9.506
  364    HD1  PHE  51           HD2      PHE  51  -0.552   8.757   8.757
  365    HD2  PHE  51           HD1      PHE  51   3.299   8.177   8.177
  366    HE1  PHE  51           HE2      PHE  51   0.046   7.151   7.151
  367    HE2  PHE  51           HE1      PHE  51   3.896   6.560   6.560
  368    HZ   PHE  51           HZ       PHE  51   2.209   5.948   5.948
  369    H    LYS  52           HN       LYS  52   2.731  11.093  11.093
  370    HA   LYS  52           HA       LYS  52   5.228  11.963  11.963
  371   1HB   LYS  52          1HB       LYS  52   4.600  12.936  12.936
  372   2HB   LYS  52          2HB       LYS  52   4.474  11.342  11.342
  373   1HG   LYS  52          1HG       LYS  52   6.544  12.522  12.522
  374   2HG   LYS  52          2HG       LYS  52   6.845  10.967  10.967
  375   1HD   LYS  52          1HD       LYS  52   8.441  12.645  12.645
  376   2HD   LYS  52          2HD       LYS  52   7.483  12.066  12.066
  377   1HE   LYS  52          1HE       LYS  52   6.070  14.127  14.127
  378   2HE   LYS  52          2HE       LYS  52   6.979  14.664  14.664
  379   1HZ   LYS  52          2HZ       LYS  52   8.933  14.752  14.752
  380   2HZ   LYS  52          3HZ       LYS  52   8.087  14.242  14.242
  381   3HZ   LYS  52          1HZ       LYS  52   7.742  15.699  15.699
  382    H    TYR  53           H        TYR  53   6.048  10.322  10.322
  383    HA   TYR  53           HA       TYR  53   6.151   7.535   7.535
  384   1HB   TYR  53          2HB       TYR  53   7.379   8.875   8.875
  385   2HB   TYR  53          1HB       TYR  53   7.187   7.159   7.159
  386    HD1  TYR  53           HD1      TYR  53   5.166   5.947   5.947
  387    HD2  TYR  53           HD2      TYR  53   5.384  10.207  10.207
  388    HE1  TYR  53           HE1      TYR  53   3.049   5.872   5.872
  389    HE2  TYR  53           HE2      TYR  53   3.192  10.142  10.142
  390    HH   TYR  53           HH       TYR  53   1.332   8.818   8.818
  391    H    LYS  54           HN       LYS  54   8.427   6.610   6.610
  392    HA   LYS  54           HA       LYS  54  10.615   7.737   7.737
  393   1HB   LYS  54          2HB       LYS  54  10.692   5.052   5.052
  394   2HB   LYS  54          1HB       LYS  54  11.574   5.596   5.596
  395   1HG   LYS  54          1HG       LYS  54   8.556   5.134   5.134
  396   2HG   LYS  54          2HG       LYS  54   9.727   3.912   3.912
  397   1HD   LYS  54          2HD       LYS  54   9.482   6.639   6.639
  398   2HD   LYS  54          1HD       LYS  54   8.669   5.176   5.176
  399   1HE   LYS  54          2HE       LYS  54  11.699   5.554   5.554
  400   2HE   LYS  54          1HE       LYS  54  10.698   5.579   5.579
  401   1HZ   LYS  54          1HZ       LYS  54  10.084   3.303   3.303
  402   2HZ   LYS  54          3HZ       LYS  54  11.084   3.260   3.260
  403   3HZ   LYS  54          2HZ       LYS  54  11.710   3.474   3.474
  404    H    ASP  55           HN       ASP  55  12.744   7.177   7.177
  405    HA   ASP  55           HA       ASP  55  13.205   8.723   8.723
  406   1HB   ASP  55          1HB       ASP  55  15.105   6.684   6.684
  407   2HB   ASP  55          2HB       ASP  55  15.534   8.107   8.107
  408    H    SER  56           H        SER  56  13.059   5.178   5.178
  409    HA   SER  56           HA       SER  56  14.323   4.679   4.679
  410   1HB   SER  56          2HB       SER  56  14.580   3.140   3.140
  411   2HB   SER  56          1HB       SER  56  12.827   2.837   2.837
  412    HG   SER  56           HG       SER  56  13.107   2.157   2.157
  413    H    ILE  57           H        ILE  57  10.980   4.586   4.586
  414    HA   ILE  57           HA       ILE  57   9.931   3.614   3.614
  415    HB   ILE  57           HB       ILE  57   9.101   3.313   3.313
  416   1HG1  ILE  57          1HG1      ILE  57   6.985   4.007   4.007
  417   2HG1  ILE  57          2HG1      ILE  57   7.983   2.546   2.546
  418   1HG2  ILE  57          1HG2      ILE  57   8.955   5.662   5.662
  419   2HG2  ILE  57          3HG2      ILE  57   7.658   5.922   5.922
  420   3HG2  ILE  57          2HG2      ILE  57   7.410   4.844   4.844
  421   1HD1  ILE  57          3HD1      ILE  57   7.164   1.881   1.881
  422   2HD1  ILE  57          1HD1      ILE  57   6.029   3.249   3.249
  423   3HD1  ILE  57          2HD1      ILE  57   5.905   1.957   1.957
  424    H    VAL  58           H        VAL  58  10.387   6.849   6.849
  425    HA   VAL  58           HA       VAL  58   9.251   8.347   8.347
  426    HB   VAL  58           HB       VAL  58  11.475   8.927   8.927
  427   1HG1  VAL  58          3HG2      VAL  58  10.262  10.816  10.816
  428   2HG1  VAL  58          2HG2      VAL  58  11.219  11.330  11.330
  429   3HG1  VAL  58          1HG2      VAL  58  11.973  10.352  10.352
  430   1HG2  VAL  58          1HG1      VAL  58   9.041   8.701   8.701
  431   2HG2  VAL  58          3HG1      VAL  58   9.774  10.279  10.279
  432   3HG2  VAL  58          2HG1      VAL  58   8.663  10.091  10.091
  433    H    ALA  59           H        ALA  59  12.615   7.095   7.095
  434    HA   ALA  59           HA       ALA  59  13.692   8.026   8.026
  435   1HB   ALA  59          3HB       ALA  59  15.030   7.008   7.008
  436   2HB   ALA  59          2HB       ALA  59  14.400   5.403   5.403
  437   3HB   ALA  59          1HB       ALA  59  15.389   6.304   6.304
  438    H    LEU  60           H        LEU  60  11.848   4.870   4.870
  439    HA   LEU  60           HA       LEU  60  12.116   3.970   3.970
  440   1HB   LEU  60          2HB       LEU  60   9.940   3.736   3.736
  441   2HB   LEU  60          1HB       LEU  60   9.848   2.985   2.985
  442    HG   LEU  60           HG       LEU  60  11.859   2.327   2.327
  443   1HD1  LEU  60          3HD1      LEU  60   9.569   1.533   1.533
  444   2HD1  LEU  60          1HD1      LEU  60   9.555   0.796   0.796
  445   3HD1  LEU  60          2HD1      LEU  60  10.661   0.178   0.178
  446   1HD2  LEU  60          1HD2      LEU  60  11.598   1.165   1.165
  447   2HD2  LEU  60          2HD2      LEU  60  13.020   1.996   1.996
  448   3HD2  LEU  60          3HD2      LEU  60  12.524   0.430   0.430
  449    H    GLY  61           H        GLY  61   9.662   6.114   6.114
  450   1HA   GLY  61          1HA       GLY  61   8.039   6.645   6.645
  451   2HA   GLY  61          2HA       GLY  61   8.379   7.787   7.787
  452    H    ALA  62           H        ALA  62  10.919   8.476   8.476
  453    HA   ALA  62           HA       ALA  62  11.014  10.389  10.389
  454   1HB   ALA  62          2HB       ALA  62  12.266  10.564  10.564
  455   2HB   ALA  62          3HB       ALA  62  13.321   9.226   9.226
  456   3HB   ALA  62          1HB       ALA  62  13.329  10.755  10.755
  457    H    SER  63           H        SER  63  12.396   7.108   7.108
  458    HA   SER  63           HA       SER  63  13.763   7.229   7.229
  459   1HB   SER  63          2HB       SER  63  14.331   5.681   5.681
  460   2HB   SER  63          1HB       SER  63  12.838   4.782   4.782
  461    HG   SER  63           HG       SER  63  13.697   4.614   4.614
  462    H    GLY  64           H        GLY  64  10.467   7.458   7.458
  463   1HA   GLY  64          1HA       GLY  64   8.829   7.408   7.408
  464   2HA   GLY  64          2HA       GLY  64   9.931   6.658   6.658
  465    H    PHE  65           H        PHE  65   9.540   5.223   5.223
  466    HA   PHE  65           HA       PHE  65   8.617   2.748   2.748
  467   1HB   PHE  65          1HB       PHE  65  10.031   2.989   2.989
  468   2HB   PHE  65          2HB       PHE  65   8.634   3.656   3.656
  469    HD1  PHE  65           HD1      PHE  65   6.484   2.172   2.172
  470    HD2  PHE  65           HD2      PHE  65  10.374   0.608   0.608
  471    HE1  PHE  65           HE1      PHE  65   6.029   0.183   0.183
  472    HE2  PHE  65           HE2      PHE  65   9.869  -1.434  -1.434
  473    HZ   PHE  65           HZ       PHE  65   7.749  -1.551  -1.551
  474    H    ALA  66           H        ALA  66   6.607   2.633   2.633
  475    HA   ALA  66           HA       ALA  66   4.254   3.874   3.874
  476   1HB   ALA  66          3HB       ALA  66   4.590   2.504   2.504
  477   2HB   ALA  66          1HB       ALA  66   3.074   3.159   3.159
  478   3HB   ALA  66          2HB       ALA  66   4.424   4.253   4.253
  479    H    TRP  67           H        TRP  67   3.012   2.444   2.444
  480    HA   TRP  67           HA       TRP  67   4.015  -0.157  -0.157
  481   1HB   TRP  67          1HB       TRP  67   1.567   1.565   1.565
  482   2HB   TRP  67          2HB       TRP  67   1.503  -0.115  -0.115
  483    HD1  TRP  67           HD1      TRP  67   2.175   2.900   2.900
  484    HE1  TRP  67           HE1      TRP  67   3.411   2.512   2.512
  485    HE3  TRP  67           HE3      TRP  67   3.666  -1.935  -1.935
  486    HZ2  TRP  67           HZ2      TRP  67   5.043   0.441   0.441
  487    HZ3  TRP  67           HZ3      TRP  67   5.068  -3.088  -3.088
  488    HH2  TRP  67           HH2      TRP  67   5.810  -1.898  -1.898
  489    H    THR  68           H        THR  68   2.891  -2.111  -2.111
  490    HA   THR  68           HA       THR  68   0.995  -2.144  -2.144
  491    HB   THR  68           HB       THR  68   2.163  -4.039  -4.039
  492    HG1  THR  68           HG1      THR  68   4.416  -3.627  -3.627
  493   1HG2  THR  68          1HG2      THR  68   2.811  -1.790  -1.790
  494   2HG2  THR  68          2HG2      THR  68   4.149  -1.766  -1.766
  495   3HG2  THR  68          3HG2      THR  68   4.128  -2.979  -2.979
  496    H    GLU  69           HN       GLU  69  -0.011  -4.334  -4.334
  497    HA   GLU  69           HA       GLU  69  -1.126  -5.132  -5.132
  498   1HB   GLU  69          1HB       GLU  69  -0.785  -7.039  -7.039
  499   2HB   GLU  69          2HB       GLU  69  -2.090  -6.950  -6.950
  500   1HG   GLU  69          2HG       GLU  69  -2.432  -4.548  -4.548
  501   2HG   GLU  69          1HG       GLU  69  -1.500  -5.097  -5.097
  502    H    GLU  70           HN       GLU  70   1.599  -6.378  -6.378
  503    HA   GLU  70           HA       GLU  70   2.059  -8.717  -8.717
  504   1HB   GLU  70          1HB       GLU  70   4.144  -8.994  -8.994
  505   2HB   GLU  70          2HB       GLU  70   2.735  -8.787  -8.787
  506   1HG   GLU  70          2HG       GLU  70   3.387  -6.453  -6.453
  507   2HG   GLU  70          1HG       GLU  70   4.821  -6.638  -6.638
  508    H    ASP  71           HN       ASP  71   3.653  -5.497  -5.497
  509    HA   ASP  71           HA       ASP  71   5.534  -5.967  -5.967
  510   1HB   ASP  71          1HB       ASP  71   4.184  -3.407  -3.407
  511   2HB   ASP  71          2HB       ASP  71   5.541  -3.458  -3.458
  512    H    ILE  72           H        ILE  72   2.213  -4.512  -4.512
  513    HA   ILE  72           HA       ILE  72   2.340  -4.199  -4.199
  514    HB   ILE  72           HB       ILE  72  -0.049  -4.508  -4.508
  515   1HG1  ILE  72          1HG1      ILE  72   1.422  -2.164  -2.164
  516   2HG1  ILE  72          2HG1      ILE  72   1.278  -2.512  -2.512
  517   1HG2  ILE  72          3HG2      ILE  72   0.022  -3.694  -3.694
  518   2HG2  ILE  72          1HG2      ILE  72  -1.407  -3.654  -3.654
  519   3HG2  ILE  72          2HG2      ILE  72  -0.691  -5.191  -5.191
  520   1HD1  ILE  72          2HD1      ILE  72  -1.248  -2.211  -2.211
  521   2HD1  ILE  72          1HD1      ILE  72  -0.873  -1.503  -1.503
  522   3HD1  ILE  72          3HD1      ILE  72  -0.236  -0.758  -0.758
  523    H    ALA  73           H        ALA  73   0.993  -6.886  -6.886
  524    HA   ALA  73           HA       ALA  73   0.081  -8.515  -8.515
  525   1HB   ALA  73          2HB       ALA  73   1.380  -9.360  -9.360
  526   2HB   ALA  73          1HB       ALA  73   0.408 -10.403 -10.403
  527   3HB   ALA  73          3HB       ALA  73  -0.344  -9.006  -9.006
  528    H    THR  74           H        THR  74   3.431  -8.152  -8.152
  529    HA   THR  74           HA       THR  74   4.449 -10.235 -10.235
  530    HB   THR  74           HB       THR  74   6.025  -7.992  -7.992
  531    HG1  THR  74           HG1      THR  74   4.791  -9.052  -9.052
  532   1HG2  THR  74          2HG2      THR  74   6.695 -10.850 -10.850
  533   2HG2  THR  74          3HG2      THR  74   7.792  -9.783  -9.783
  534   3HG2  THR  74          1HG2      THR  74   7.282  -9.362  -9.362
  535    H    TYR  75           H        TYR  75   4.712  -6.641  -6.641
  536    HA   TYR  75           HA       TYR  75   6.007  -6.234  -6.234
  537   1HB   TYR  75          1HB       TYR  75   5.509  -4.460  -4.460
  538   2HB   TYR  75          2HB       TYR  75   3.778  -4.642  -4.642
  539    HD1  TYR  75           HD1      TYR  75   6.954  -3.746  -3.746
  540    HD2  TYR  75           HD2      TYR  75   2.656  -3.427  -3.427
  541    HE1  TYR  75           HE1      TYR  75   7.023  -2.091  -2.091
  542    HE2  TYR  75           HE2      TYR  75   2.730  -1.864  -1.864
  543    HH   TYR  75           HH       TYR  75   4.032  -0.928  -0.928
  544    H    VAL  76           H        VAL  76   2.413  -6.662  -6.662
  545    HA   VAL  76           HA       VAL  76   1.893  -6.161  -6.161
  546    HB   VAL  76           HB       VAL  76  -0.050  -7.660  -7.660
  547   1HG1  VAL  76          1HG1      VAL  76  -0.205  -5.284  -5.284
  548   2HG1  VAL  76          2HG1      VAL  76   0.303  -5.638  -5.638
  549   3HG1  VAL  76          3HG1      VAL  76  -1.244  -6.260  -6.260
  550   1HG2  VAL  76          3HG2      VAL  76   0.769  -9.355  -9.355
  551   2HG2  VAL  76          1HG2      VAL  76  -0.744  -8.604  -8.604
  552   3HG2  VAL  76          2HG2      VAL  76   0.777  -8.123  -8.123
  553    H    LYS  77           HN       LYS  77   3.195  -9.117  -9.117
  554    HA   LYS  77           HA       LYS  77   3.216 -10.413 -10.413
  555   1HB   LYS  77          2HB       LYS  77   3.680 -12.485 -12.485
  556   2HB   LYS  77          1HB       LYS  77   2.144 -11.767 -11.767
  557   1HG   LYS  77          2HG       LYS  77   3.052 -10.996 -10.996
  558   2HG   LYS  77          1HG       LYS  77   4.693 -11.443 -11.443
  559   1HD   LYS  77          1HD       LYS  77   3.965 -13.848 -13.848
  560   2HD   LYS  77          2HD       LYS  77   2.359 -13.344 -13.344
  561   1HE   LYS  77          2HE       LYS  77   3.618 -14.156 -14.156
  562   2HE   LYS  77          1HE       LYS  77   3.398 -12.408 -12.408
  563   1HZ   LYS  77          1HZ       LYS  77   5.656 -12.147 -12.147
  564   2HZ   LYS  77          3HZ       LYS  77   5.817 -13.777 -13.777
  565   3HZ   LYS  77          2HZ       LYS  77   5.631 -13.070 -13.070
  566    H    ASP  78           HN       ASP  78   5.142  -8.357  -8.357
  567    HA   ASP  78           HA       ASP  78   7.660  -9.402  -9.402
  568   1HB   ASP  78          1HB       ASP  78   7.232  -8.673  -8.673
  569   2HB   ASP  78          2HB       ASP  78   8.815  -8.860  -8.860
  570    HA   PRO  79           HA       PRO  79   6.819  -4.746  -4.746
  571   1HB   PRO  79          2HB       PRO  79   6.855  -4.482  -4.482
  572   2HB   PRO  79          1HB       PRO  79   5.388  -4.811  -4.811
  573   1HG   PRO  79          1HG       PRO  79   7.235  -6.798  -6.798
  574   2HG   PRO  79          2HG       PRO  79   5.473  -6.641  -6.641
  575   1HD   PRO  79          2HD       PRO  79   6.547  -8.471  -8.471
  576   2HD   PRO  79          1HD       PRO  79   5.123  -7.520  -7.520
  577    H    GLY  80           H        GLY  80   8.563  -3.427  -3.427
  578   1HA   GLY  80          1HA       GLY  80  10.741  -2.691  -2.691
  579   2HA   GLY  80          2HA       GLY  80  10.947  -3.967  -3.967
  580    H    ALA  81           H        ALA  81  10.791  -6.276  -6.276
  581    HA   ALA  81           HA       ALA  81  13.077  -6.848  -6.848
  582   1HB   ALA  81          2HB       ALA  81  10.396  -8.277  -8.277
  583   2HB   ALA  81          1HB       ALA  81  11.934  -8.966  -8.966
  584   3HB   ALA  81          3HB       ALA  81  11.721  -8.546  -8.546
  585    H    PHE  82           H        PHE  82   9.834  -6.171  -6.171
  586    HA   PHE  82           HA       PHE  82  10.789  -6.503  -6.503
  587   1HB   PHE  82          2HB       PHE  82   8.328  -6.141  -6.141
  588   2HB   PHE  82          1HB       PHE  82   8.681  -4.434  -4.434
  589    HD1  PHE  82           HD2      PHE  82   9.065  -7.720  -7.720
  590    HD2  PHE  82           HD1      PHE  82   8.277  -3.498  -3.498
  591    HE1  PHE  82           HE2      PHE  82   8.681  -8.026  -8.026
  592    HE2  PHE  82           HE1      PHE  82   7.869  -3.836  -3.836
  593    HZ   PHE  82           HZ       PHE  82   8.029  -6.109  -6.109
  594    H    LEU  83           H        LEU  83  10.927  -3.597  -3.597
  595    HA   LEU  83           HA       LEU  83  11.633  -1.708  -1.708
  596   1HB   LEU  83          2HB       LEU  83  12.253  -1.652  -1.652
  597   2HB   LEU  83          1HB       LEU  83  12.127  -0.345  -0.345
  598    HG   LEU  83           HG       LEU  83   9.884  -1.988  -1.988
  599   1HD1  LEU  83          3HD1      LEU  83  10.624   0.981   0.981
  600   2HD1  LEU  83          2HD1      LEU  83   9.159   0.313   0.313
  601   3HD1  LEU  83          1HD1      LEU  83  10.755  -0.136  -0.136
  602   1HD2  LEU  83          3HD2      LEU  83   9.775   0.031   0.031
  603   2HD2  LEU  83          2HD2      LEU  83   9.354  -1.694  -1.694
  604   3HD2  LEU  83          1HD2      LEU  83   8.357  -0.616  -0.616
  605    H    LYS  84           HN       LYS  84  13.271  -3.533  -3.533
  606    HA   LYS  84           HA       LYS  84  15.976  -2.838  -2.838
  607   1HB   LYS  84          2HB       LYS  84  14.841  -5.488  -5.488
  608   2HB   LYS  84          1HB       LYS  84  16.554  -5.038  -5.038
  609   1HG   LYS  84          1HG       LYS  84  16.130  -3.214  -3.214
  610   2HG   LYS  84          2HG       LYS  84  14.387  -3.366  -3.366
  611   1HD   LYS  84          1HD       LYS  84  15.033  -4.270  -4.270
  612   2HD   LYS  84          2HD       LYS  84  14.342  -5.512  -5.512
  613   1HE   LYS  84          1HE       LYS  84  16.334  -6.321  -6.321
  614   2HE   LYS  84          2HE       LYS  84  16.590  -6.412  -6.412
  615   1HZ   LYS  84          2HZ       LYS  84  17.551  -4.238  -4.238
  616   2HZ   LYS  84          1HZ       LYS  84  18.467  -5.490  -5.490
  617   3HZ   LYS  84          3HZ       LYS  84  17.829  -4.390  -4.390
  618    H    GLU  85           HN       GLU  85  14.153  -5.630  -5.630
  619    HA   GLU  85           HA       GLU  85  16.128  -6.567  -6.567
  620   1HB   GLU  85          1HB       GLU  85  14.026  -7.747  -7.747
  621   2HB   GLU  85          2HB       GLU  85  13.096  -6.583  -6.583
  622   1HG   GLU  85          2HG       GLU  85  13.401  -8.654  -8.654
  623   2HG   GLU  85          1HG       GLU  85  14.228  -7.329  -7.329
  624    H    LYS  86           HN       LYS  86  13.481  -4.226  -4.226
  625    HA   LYS  86           HA       LYS  86  14.357  -3.888  -3.888
  626   1HB   LYS  86          2HB       LYS  86  12.524  -2.305  -2.305
  627   2HB   LYS  86          1HB       LYS  86  12.801  -1.833  -1.833
  628   1HG   LYS  86          1HG       LYS  86  11.888  -4.644  -4.644
  629   2HG   LYS  86          2HG       LYS  86  10.749  -3.322  -3.322
  630   1HD   LYS  86          1HD       LYS  86  11.644  -2.905  -2.905
  631   2HD   LYS  86          2HD       LYS  86  12.748  -4.272  -4.272
  632   1HE   LYS  86          2HE       LYS  86   9.704  -4.433  -4.433
  633   2HE   LYS  86          1HE       LYS  86  10.738  -4.862  -4.862
  634   1HZ   LYS  86          1HZ       LYS  86  11.766  -6.537  -6.537
  635   2HZ   LYS  86          2HZ       LYS  86  10.755  -6.173  -6.173
  636   3HZ   LYS  86          3HZ       LYS  86  10.144  -6.785  -6.785
  637    H    LEU  87           H        LEU  87  14.862  -1.761  -1.761
  638    HA   LEU  87           HA       LEU  87  16.366   0.110   0.110
  639   1HB   LEU  87          1HB       LEU  87  14.775   0.770   0.770
  640   2HB   LEU  87          2HB       LEU  87  15.890   0.055   0.055
  641    HG   LEU  87           HG       LEU  87  17.623   1.728   1.728
  642   1HD1  LEU  87          3HD2      LEU  87  15.434   2.842   2.842
  643   2HD1  LEU  87          2HD2      LEU  87  16.918   3.706   3.706
  644   3HD1  LEU  87          1HD2      LEU  87  17.025   2.232   2.232
  645   1HD2  LEU  87          1HD1      LEU  87  16.098   2.183   2.183
  646   2HD2  LEU  87          2HD1      LEU  87  16.517   3.677   3.677
  647   3HD2  LEU  87          3HD1      LEU  87  14.930   2.923   2.923
  648    H    ASP  88           HN       ASP  88  17.169  -2.656  -2.656
  649    HA   ASP  88           HA       ASP  88  19.078  -3.615  -3.615
  650   1HB   ASP  88          1HB       ASP  88  19.632  -3.538  -3.538
  651   2HB   ASP  88          2HB       ASP  88  20.305  -1.914  -1.914
  652    H    ASP  89           HN       ASP  89  18.230  -1.958  -1.958
  653    HA   ASP  89           HA       ASP  89  20.608  -0.502  -0.502
  654   1HB   ASP  89          2HB       ASP  89  19.242   1.248   1.248
  655   2HB   ASP  89          1HB       ASP  89  17.781   0.523   0.523
  656    H    LYS  90           HN       LYS  90  21.045  -1.037  -1.037
  657    HA   LYS  90           HA       LYS  90  19.689  -3.067  -3.067
  658   1HB   LYS  90          2HB       LYS  90  22.095  -2.633  -2.633
  659   2HB   LYS  90          1HB       LYS  90  21.787  -1.007  -1.007
  660   1HG   LYS  90          1HG       LYS  90  22.470  -2.507  -2.507
  661   2HG   LYS  90          2HG       LYS  90  20.828  -1.929  -1.929
  662   1HD   LYS  90          1HD       LYS  90  19.885  -4.049  -4.049
  663   2HD   LYS  90          2HD       LYS  90  21.497  -4.644  -4.644
  664   1HE   LYS  90          2HE       LYS  90  20.556  -3.931  -3.931
  665   2HE   LYS  90          1HE       LYS  90  20.633  -5.567  -5.567
  666   1HZ   LYS  90          1HZ       LYS  90  22.990  -5.287  -5.287
  667   2HZ   LYS  90          3HZ       LYS  90  22.928  -3.784  -3.784
  668   3HZ   LYS  90          2HZ       LYS  90  22.541  -5.106  -5.106
  669    H    LYS  91           HN       LYS  91  19.549   0.497   0.497
  670    HA   LYS  91           HA       LYS  91  17.939   0.537   0.537
  671   1HB   LYS  91          1HB       LYS  91  18.776   2.852   2.852
  672   2HB   LYS  91          2HB       LYS  91  18.197   2.942   2.942
  673   1HG   LYS  91          2HG       LYS  91  20.846   1.768   1.768
  674   2HG   LYS  91          1HG       LYS  91  20.596   3.293   3.293
  675   1HD   LYS  91          2HD       LYS  91  19.654   2.022   2.022
  676   2HD   LYS  91          1HD       LYS  91  20.081   0.506   0.506
  677   1HE   LYS  91          2HE       LYS  91  22.033   2.710   2.710
  678   2HE   LYS  91          1HE       LYS  91  21.789   1.172   1.172
  679   1HZ   LYS  91          2HZ       LYS  91  22.521   0.044   0.044
  680   2HZ   LYS  91          3HZ       LYS  91  22.784   1.482   1.482
  681   3HZ   LYS  91          1HZ       LYS  91  23.676   1.077   1.077
  682    H    ALA  92           H        ALA  92  16.983  -0.470  -0.470
  683    HA   ALA  92           HA       ALA  92  14.691   1.289   1.289
  684   1HB   ALA  92          1HB       ALA  92  15.777   0.203   0.203
  685   2HB   ALA  92          2HB       ALA  92  15.396  -1.386  -1.386
  686   3HB   ALA  92          3HB       ALA  92  14.096  -0.321  -0.321
  687    H    LYS  93           HN       LYS  93  14.225   1.090   1.090
  688    HA   LYS  93           HA       LYS  93  12.616  -1.318  -1.318
  689   1HB   LYS  93          1HB       LYS  93  13.752   0.942   0.942
  690   2HB   LYS  93          2HB       LYS  93  12.812  -0.440  -0.440
  691   1HG   LYS  93          1HG       LYS  93  14.533  -1.997  -1.997
  692   2HG   LYS  93          2HG       LYS  93  15.491  -0.611  -0.611
  693   1HD   LYS  93          2HD       LYS  93  15.733   0.184   0.184
  694   2HD   LYS  93          1HD       LYS  93  14.700  -1.135  -1.135
  695   1HE   LYS  93          1HE       LYS  93  17.028  -1.707  -1.707
  696   2HE   LYS  93          2HE       LYS  93  16.352  -2.807  -2.807
  697   1HZ   LYS  93          1HZ       LYS  93  17.994  -0.440  -0.440
  698   2HZ   LYS  93          2HZ       LYS  93  18.541  -1.993  -1.993
  699   3HZ   LYS  93          3HZ       LYS  93  17.452  -1.539  -1.539
  700    H    THR  94           H        THR  94  10.535  -1.129  -1.129
  701    HA   THR  94           HA       THR  94   9.203   1.370   1.370
  702    HB   THR  94           HB       THR  94   8.461  -0.710  -0.710
  703    HG1  THR  94           HG1      THR  94   6.286  -0.350  -0.350
  704   1HG2  THR  94          2HG2      THR  94   8.871  -2.329  -2.329
  705   2HG2  THR  94          3HG2      THR  94   7.497  -1.634  -1.634
  706   3HG2  THR  94          1HG2      THR  94   7.240  -2.426  -2.426
  707    H    GLY  95           H        GLY  95   7.427   2.240   2.240
  708   1HA   GLY  95          1HA       GLY  95   7.686   2.196   2.196
  709   2HA   GLY  95          2HA       GLY  95   6.463   3.047   3.047
  710    H    MET  96           H        MET  96   5.974   0.385   0.385
  711    HA   MET  96           HA       MET  96   3.722  -0.370  -0.370
  712   1HB   MET  96          1HB       MET  96   3.970  -0.293  -0.293
  713   2HB   MET  96          2HB       MET  96   4.907  -1.792  -1.792
  714   1HG   MET  96          2HG       MET  96   2.948  -2.938  -2.938
  715   2HG   MET  96          1HG       MET  96   2.177  -1.513  -1.513
  716   1HE   MET  96          2HE       MET  96   2.990  -4.202  -4.202
  717   2HE   MET  96          1HE       MET  96   1.292  -4.381  -4.381
  718   3HE   MET  96          3HE       MET  96   1.677  -3.923  -3.923
  719    H    ALA  97           H        ALA  97   4.807  -0.962  -0.962
  720    HA   ALA  97           HA       ALA  97   6.115  -3.546  -3.546
  721   1HB   ALA  97          1HB       ALA  97   6.474  -1.744  -1.744
  722   2HB   ALA  97          2HB       ALA  97   4.767  -1.829  -1.829
  723   3HB   ALA  97          3HB       ALA  97   5.850  -3.208  -3.208
  724    H    PHE  98           H        PHE  98   4.160  -4.253  -4.253
  725    HA   PHE  98           HA       PHE  98   2.522  -6.126  -6.126
  726   1HB   PHE  98          1HB       PHE  98   1.007  -4.280  -4.280
  727   2HB   PHE  98          2HB       PHE  98   1.334  -3.662  -3.662
  728    HD1  PHE  98           HD2      PHE  98  -0.492  -6.295  -6.295
  729    HD2  PHE  98           HD1      PHE  98   0.288  -4.579  -4.579
  730    HE1  PHE  98           HE2      PHE  98  -2.258  -7.721  -7.721
  731    HE2  PHE  98           HE1      PHE  98  -1.409  -6.078  -6.078
  732    HZ   PHE  98           HZ       PHE  98  -2.712  -7.629  -7.629
  733    H    LYS  99           HN       LYS  99   1.695  -7.712  -7.712
  734    HA   LYS  99           HA       LYS  99   2.074  -7.357  -7.357
  735   1HB   LYS  99          1HB       LYS  99   3.219  -9.549  -9.549
  736   2HB   LYS  99          2HB       LYS  99   4.195  -8.306  -8.306
  737   1HG   LYS  99          2HG       LYS  99   3.899  -9.314  -9.314
  738   2HG   LYS  99          1HG       LYS  99   2.829 -10.555 -10.555
  739   1HD   LYS  99          2HD       LYS  99   4.690 -11.274 -11.274
  740   2HD   LYS  99          1HD       LYS  99   5.761 -10.096 -10.096
  741   1HE   LYS  99          2HE       LYS  99   4.396 -12.448 -12.448
  742   2HE   LYS  99          1HE       LYS  99   6.089 -12.389 -12.389
  743   1HZ   LYS  99          1HZ       LYS  99   6.414 -10.543 -10.543
  744   2HZ   LYS  99          3HZ       LYS  99   4.847 -10.627 -10.627
  745   3HZ   LYS  99          2HZ       LYS  99   5.878 -11.874 -11.874
  746    H    LEU 100           H        LEU 100   1.168  -9.192  -9.192
  747    HA   LEU 100           HA       LEU 100  -1.192 -10.376 -10.376
  748   1HB   LEU 100          1HB       LEU 100  -1.725  -8.569  -8.569
  749   2HB   LEU 100          2HB       LEU 100  -0.814  -9.426  -9.426
  750    HG   LEU 100           HG       LEU 100  -2.348 -11.399 -11.399
  751   1HD1  LEU 100          2HD2      LEU 100  -3.876  -9.461  -9.461
  752   2HD1  LEU 100          1HD2      LEU 100  -4.605 -10.907 -10.907
  753   3HD1  LEU 100          3HD2      LEU 100  -3.286 -11.079 -11.079
  754   1HD2  LEU 100          2HD1      LEU 100  -3.608  -8.771  -8.771
  755   2HD2  LEU 100          1HD1      LEU 100  -2.604  -9.827  -9.827
  756   3HD2  LEU 100          3HD1      LEU 100  -4.189 -10.390 -10.390
  757    H    ALA 101           H        ALA 101  -0.786 -12.526 -12.526
  758    HA   ALA 101           HA       ALA 101   1.233 -13.851 -13.851
  759   1HB   ALA 101          2HB       ALA 101   1.119 -14.220 -14.220
  760   2HB   ALA 101          1HB       ALA 101  -0.540 -14.846 -14.846
  761   3HB   ALA 101          3HB       ALA 101   0.823 -15.728 -15.728
  762    H    LYS 102           HN       LYS 102  -0.406 -13.023 -13.023
  763    HA   LYS 102           HA       LYS 102  -1.913 -15.394 -15.394
  764   1HB   LYS 102          1HB       LYS 102  -2.962 -12.552 -12.552
  765   2HB   LYS 102          2HB       LYS 102  -3.727 -14.000 -14.000
  766   1HG   LYS 102          2HG       LYS 102  -3.302 -13.477 -13.477
  767   2HG   LYS 102          1HG       LYS 102  -4.789 -13.123 -13.123
  768   1HD   LYS 102          1HD       LYS 102  -5.185 -15.439 -15.439
  769   2HD   LYS 102          2HD       LYS 102  -3.600 -15.935 -15.935
  770   1HE   LYS 102          1HE       LYS 102  -5.804 -14.743 -14.743
  771   2HE   LYS 102          2HE       LYS 102  -5.394 -16.462 -16.462
  772   1HZ   LYS 102          3HZ       LYS 102  -3.149 -15.866 -15.866
  773   2HZ   LYS 102          2HZ       LYS 102  -3.673 -14.342 -14.342
  774   3HZ   LYS 102          1HZ       LYS 102  -4.319 -15.615 -15.615
  775    H    GLY 103           H        GLY 103  -2.317 -15.204 -15.204
  776   1HA   GLY 103          1HA       GLY 103   0.129 -14.834 -14.834
  777   2HA   GLY 103          2HA       GLY 103  -1.463 -15.046 -15.046
  778    H    GLY 104           H        GLY 104  -2.203 -12.435 -12.435
  779   1HA   GLY 104          1HA       GLY 104  -2.270 -10.200 -10.200
  780   2HA   GLY 104          2HA       GLY 104  -0.767 -10.343 -10.343
  781    H    GLU 105           HN       GLU 105  -1.699 -12.023 -12.023
  782    HA   GLU 105           HA       GLU 105  -2.464 -10.407 -10.407
  783   1HB   GLU 105          2HB       GLU 105  -3.277 -12.376 -12.376
  784   2HB   GLU 105          1HB       GLU 105  -1.764 -12.669 -12.669
  785   1HG   GLU 105          2HG       GLU 105  -3.089 -13.804 -13.804
  786   2HG   GLU 105          1HG       GLU 105  -4.541 -13.622 -13.622
  787    H    ASP 106           HN       ASP 106  -4.841 -11.918 -11.918
  788    HA   ASP 106           HA       ASP 106  -7.195 -11.119 -11.119
  789   1HB   ASP 106          1HB       ASP 106  -8.335 -11.708 -11.708
  790   2HB   ASP 106          2HB       ASP 106  -7.205 -12.972 -12.972
  791    H    VAL 107           H        VAL 107  -5.277  -9.704  -9.704
  792    HA   VAL 107           HA       VAL 107  -7.054  -7.479  -7.479
  793    HB   VAL 107           HB       VAL 107  -4.067  -7.684  -7.684
  794   1HG1  VAL 107          1HG2      VAL 107  -6.378  -6.295  -6.295
  795   2HG1  VAL 107          3HG2      VAL 107  -4.684  -6.330  -6.330
  796   3HG1  VAL 107          2HG2      VAL 107  -5.116  -5.500  -5.500
  797   1HG2  VAL 107          1HG1      VAL 107  -6.398  -8.903  -8.903
  798   2HG2  VAL 107          3HG1      VAL 107  -4.989  -9.761  -9.761
  799   3HG2  VAL 107          2HG1      VAL 107  -4.773  -8.647  -8.647
  800    H    ALA 108           H        ALA 108  -4.063  -8.027  -8.027
  801    HA   ALA 108           HA       ALA 108  -3.714  -5.406  -5.406
  802   1HB   ALA 108          1HB       ALA 108  -1.988  -7.159  -7.159
  803   2HB   ALA 108          3HB       ALA 108  -2.982  -8.093  -8.093
  804   3HB   ALA 108          2HB       ALA 108  -2.345  -6.512  -6.512
  805    H    ALA 109           H        ALA 109  -5.567  -8.193  -8.193
  806    HA   ALA 109           HA       ALA 109  -6.473  -6.875  -6.875
  807   1HB   ALA 109          1HB       ALA 109  -6.626  -9.292  -9.292
  808   2HB   ALA 109          2HB       ALA 109  -7.837  -9.069  -9.069
  809   3HB   ALA 109          3HB       ALA 109  -8.213  -8.606  -8.606
  810    H    TYR 110           H        TYR 110  -7.922  -7.055  -7.055
  811    HA   TYR 110           HA       TYR 110 -10.226  -5.520  -5.520
  812   1HB   TYR 110          2HB       TYR 110 -10.240  -6.601  -6.601
  813   2HB   TYR 110          1HB       TYR 110  -8.701  -5.902  -5.902
  814    HD1  TYR 110           HD2      TYR 110 -11.968  -4.522  -4.522
  815    HD2  TYR 110           HD1      TYR 110  -8.883  -4.296  -4.296
  816    HE1  TYR 110           HE2      TYR 110 -13.018  -2.485  -2.485
  817    HE2  TYR 110           HE1      TYR 110  -9.947  -2.265  -2.265
  818    HH   TYR 110           HH       TYR 110 -11.748  -0.842  -0.842
  819    H    LEU 111           H        LEU 111  -7.022  -4.408  -4.408
  820    HA   LEU 111           HA       LEU 111  -7.670  -1.649  -1.649
  821   1HB   LEU 111          1HB       LEU 111  -5.011  -3.097  -3.097
  822   2HB   LEU 111          2HB       LEU 111  -5.148  -1.337  -1.337
  823    HG   LEU 111           HG       LEU 111  -6.308  -3.228  -3.228
  824   1HD1  LEU 111          2HD1      LEU 111  -3.658  -1.733  -1.733
  825   2HD1  LEU 111          3HD1      LEU 111  -4.357  -2.641  -2.641
  826   3HD1  LEU 111          1HD1      LEU 111  -3.877  -3.495  -3.495
  827   1HD2  LEU 111          3HD2      LEU 111  -5.859  -0.209  -0.209
  828   2HD2  LEU 111          2HD2      LEU 111  -7.402  -1.064  -1.064
  829   3HD2  LEU 111          1HD2      LEU 111  -6.194  -1.102  -1.102
  830    H    ALA 112           H        ALA 112  -6.277  -3.737  -3.737
  831    HA   ALA 112           HA       ALA 112  -5.906  -1.770  -1.770
  832   1HB   ALA 112          3HB       ALA 112  -5.167  -4.116  -4.116
  833   2HB   ALA 112          2HB       ALA 112  -6.853  -4.625  -4.625
  834   3HB   ALA 112          1HB       ALA 112  -6.078  -3.560  -3.560
  835    H    SER 113           H        SER 113  -8.874  -3.525  -3.525
  836    HA   SER 113           HA       SER 113 -10.558  -2.460  -2.460
  837   1HB   SER 113          1HB       SER 113 -11.439  -3.344  -3.344
  838   2HB   SER 113          2HB       SER 113 -12.384  -3.297  -3.297
  839    HG   SER 113           HG       SER 113 -10.092  -4.951  -4.951
  840    H    VAL 114           H        VAL 114  -9.395  -1.072  -1.072
  841    HA   VAL 114           HA       VAL 114 -11.464   0.977   0.977
  842    HB   VAL 114           HB       VAL 114  -8.778   0.710   0.710
  843   1HG1  VAL 114          1HG1      VAL 114 -11.124   2.522   2.522
  844   2HG1  VAL 114          3HG1      VAL 114  -9.690   2.260   2.260
  845   3HG1  VAL 114          2HG1      VAL 114  -9.521   3.047   3.047
  846   1HG2  VAL 114          3HG2      VAL 114 -10.415  -1.116  -1.116
  847   2HG2  VAL 114          2HG2      VAL 114 -10.133  -0.037  -0.037
  848   3HG2  VAL 114          1HG2      VAL 114 -11.617   0.119   0.119
  849    H    VAL 115           H        VAL 115  -8.343   0.645   0.645
  850    HA   VAL 115           HA       VAL 115  -7.465   3.219   3.219
  851    HB   VAL 115           HB       VAL 115  -7.256   1.064   1.064
  852   1HG1  VAL 115          3HG1      VAL 115  -5.691   3.647   3.647
  853   2HG1  VAL 115          1HG1      VAL 115  -5.183   2.373   2.373
  854   3HG1  VAL 115          2HG1      VAL 115  -6.661   3.286   3.286
  855   1HG2  VAL 115          2HG2      VAL 115  -6.336   0.441   0.441
  856   2HG2  VAL 115          3HG2      VAL 115  -5.105   0.602   0.602
  857   3HG2  VAL 115          1HG2      VAL 115  -5.332   1.893   1.893
  858    H    LYS 116           HN       LYS 116  -8.738   4.755   4.755
  859    HA   LYS 116           HA       LYS 116  -9.641   5.612   5.612
  860   1HB   LYS 116          2HB       LYS 116 -11.538   5.293   5.293
  861   2HB   LYS 116          1HB       LYS 116 -11.900   6.285   6.285
  862   1HG   LYS 116          2HG       LYS 116 -11.746   4.221   4.221
  863   2HG   LYS 116          1HG       LYS 116 -11.503   3.259   3.259
  864   1HD   LYS 116          1HD       LYS 116 -13.969   4.918   4.918
  865   2HD   LYS 116          2HD       LYS 116 -13.830   3.156   3.156
  866   1HE   LYS 116          2HE       LYS 116 -13.722   4.916   4.916
  867   2HE   LYS 116          1HE       LYS 116 -14.957   3.734   3.734
  868   1HZ   LYS 116          3HZ       LYS 116 -13.254   2.020   2.020
  869   2HZ   LYS 116          2HZ       LYS 116 -12.165   3.149   3.149
  870   3HZ   LYS 116          1HZ       LYS 116 -13.504   2.836   2.836
  871    HHA  HEC 117           HHA      HEM 117   2.788   2.388   2.388
  872    HHB  HEC 117           HHB      HEM 117  -1.026  -2.121  -2.121
  873    HHC  HEC 117           HHC      HEM 117  -2.788  -3.810  -3.810
  874    HHD  HEC 117           HHD      HEM 117   1.475   0.185   0.185
  875   1HMA  HEC 117          1HMA      HEM 117   1.195  -1.516  -1.516
  876   2HMA  HEC 117          2HMA      HEM 117   1.144   0.199   0.199
  877   3HMA  HEC 117          3HMA      HEM 117  -0.354  -0.634  -0.634
  878   1HAA  HEC 117          1HAA      HEM 117   2.956   1.142   1.142
  879   2HAA  HEC 117          2HAA      HEM 117   3.601   1.733   1.733
  880   1HBA  HEC 117          1HBA      HEM 117   1.835   3.496   3.496
  881   2HBA  HEC 117          2HBA      HEM 117   1.226   2.899   2.899
  882   1HMB  HEC 117          1HMB      HEM 117  -3.985  -4.330  -4.330
  883   2HMB  HEC 117          2HMB      HEM 117  -3.399  -2.794  -2.794
  884   3HMB  HEC 117          3HMB      HEM 117  -2.372  -4.238  -4.238
  885    HAB  HEC 117           HAB      HEM 117  -3.901  -4.984  -4.984
  886   1HBB  HEC 117          1HBB      HEM 117  -3.481  -6.244  -6.244
  887   2HBB  HEC 117          2HBB      HEM 117  -4.230  -6.969  -6.969
  888   3HBB  HEC 117          3HBB      HEM 117  -2.499  -6.549  -6.549
  889   1HMC  HEC 117          1HMC      HEM 117  -2.885  -2.807  -2.807
  890   2HMC  HEC 117          2HMC      HEM 117  -2.606  -4.086  -4.086
  891   3HMC  HEC 117          3HMC      HEM 117  -3.805  -2.815  -2.815
  892    HAC  HEC 117           HAC      HEM 117  -1.090  -1.728  -1.728
  893   1HBC  HEC 117          1HBC      HEM 117   0.078   0.044   0.044
  894   2HBC  HEC 117          2HBC      HEM 117   0.309   0.912   0.912
  895   3HBC  HEC 117          3HBC      HEM 117   1.135  -0.661  -0.661
  896   1HMD  HEC 117          1HMD      HEM 117   3.412   2.061   2.061
  897   2HMD  HEC 117          2HMD      HEM 117   1.786   2.741   2.741
  898   3HMD  HEC 117          3HMD      HEM 117   3.055   3.698   3.698
  899   1HAD  HEC 117          1HAD      HEM 117   3.920   4.115   4.115
  900   2HAD  HEC 117          2HAD      HEM 117   3.364   4.103   4.103
  901   1HBD  HEC 117          1HBD      HEM 117   4.937   2.289   2.289
  902   2HBD  HEC 117          2HBD      HEM 117   5.276   2.059   2.059

  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -6.885 -12.909 -12.909
    2   2H    GLY   1          2H        GLY   1  -7.143 -14.025 -14.025
    3   1HA   GLY   1          1HA       GLY   1  -6.558 -11.158 -11.158
    4   2HA   GLY   1          2HA       GLY   1  -6.882 -12.358 -12.358
    5    H    ASP   2           HN       ASP   2  -8.823 -12.651 -12.651
    6    HA   ASP   2           HA       ASP   2 -11.234 -11.853 -11.853
    7   1HB   ASP   2          1HB       ASP   2 -11.388 -14.050 -14.050
    8   2HB   ASP   2          2HB       ASP   2 -10.865 -13.430 -13.430
    9    H    ALA   3           H        ALA   3 -11.358  -9.752  -9.752
   10    HA   ALA   3           HA       ALA   3 -10.794  -7.969  -7.969
   11   1HB   ALA   3          3HB       ALA   3 -11.524  -7.329  -7.329
   12   2HB   ALA   3          2HB       ALA   3 -13.164  -7.934  -7.934
   13   3HB   ALA   3          1HB       ALA   3 -12.533  -6.527  -6.527
   14    H    ALA   4           H        ALA   4 -13.566 -10.252 -10.252
   15    HA   ALA   4           HA       ALA   4 -15.059  -8.853  -8.853
   16   1HB   ALA   4          2HB       ALA   4 -16.126 -10.467 -10.467
   17   2HB   ALA   4          1HB       ALA   4 -15.213 -11.792 -11.792
   18   3HB   ALA   4          3HB       ALA   4 -16.377 -10.870 -10.870
   19    H    LYS   5           HN       LYS   5 -12.958 -11.837 -11.837
   20    HA   LYS   5           HA       LYS   5 -12.830 -11.879 -11.879
   21   1HB   LYS   5          2HB       LYS   5 -10.957 -12.872 -12.872
   22   2HB   LYS   5          1HB       LYS   5 -10.543 -13.002 -13.002
   23   1HG   LYS   5          1HG       LYS   5 -12.667 -14.185 -14.185
   24   2HG   LYS   5          2HG       LYS   5 -13.053 -14.187 -14.187
   25   1HD   LYS   5          1HD       LYS   5 -10.597 -15.463 -15.463
   26   2HD   LYS   5          2HD       LYS   5 -12.055 -16.337 -16.337
   27   1HE   LYS   5          1HE       LYS   5 -10.122 -14.915 -14.915
   28   2HE   LYS   5          2HE       LYS   5 -10.261 -16.655 -16.655
   29   1HZ   LYS   5          2HZ       LYS   5 -12.511 -16.541 -16.541
   30   2HZ   LYS   5          1HZ       LYS   5 -12.366 -14.919 -14.919
   31   3HZ   LYS   5          3HZ       LYS   5 -11.439 -15.982 -15.982
   32    H    GLY   6           H        GLY   6 -10.905 -10.091 -10.091
   33   1HA   GLY   6          1HA       GLY   6  -9.023  -8.867  -8.867
   34   2HA   GLY   6          2HA       GLY   6  -9.757  -8.103  -8.103
   35    H    GLU   7           HN       GLU   7 -12.333  -7.693  -7.693
   36    HA   GLU   7           HA       GLU   7 -12.369  -5.424  -5.424
   37   1HB   GLU   7          1HB       GLU   7 -13.980  -5.976  -5.976
   38   2HB   GLU   7          2HB       GLU   7 -14.733  -7.179  -7.179
   39   1HG   GLU   7          2HG       GLU   7 -15.306  -5.407  -5.407
   40   2HG   GLU   7          1HG       GLU   7 -14.503  -4.200  -4.200
   41    H    LYS   8           HN       LYS   8 -13.443  -8.804  -8.804
   42    HA   LYS   8           HA       LYS   8 -14.390  -8.342  -8.342
   43   1HB   LYS   8          1HB       LYS   8 -13.201 -10.855 -10.855
   44   2HB   LYS   8          2HB       LYS   8 -13.993 -10.774 -10.774
   45   1HG   LYS   8          1HG       LYS   8 -16.088 -10.015 -10.015
   46   2HG   LYS   8          2HG       LYS   8 -15.337  -9.928  -9.928
   47   1HD   LYS   8          2HD       LYS   8 -16.693 -11.951 -11.951
   48   2HD   LYS   8          1HD       LYS   8 -14.994 -12.331 -12.331
   49   1HE   LYS   8          1HE       LYS   8 -16.044 -13.833 -13.833
   50   2HE   LYS   8          2HE       LYS   8 -14.681 -12.942 -12.942
   51   1HZ   LYS   8          1HZ       LYS   8 -17.519 -12.241 -12.241
   52   2HZ   LYS   8          2HZ       LYS   8 -16.570 -12.971 -12.971
   53   3HZ   LYS   8          3HZ       LYS   8 -16.246 -11.428 -11.428
   54    H    GLU   9           HN       GLU   9 -11.054  -9.436  -9.436
   55    HA   GLU   9           HA       GLU   9  -9.856  -9.503  -9.503
   56   1HB   GLU   9          1HB       GLU   9  -8.985  -8.952  -8.952
   57   2HB   GLU   9          2HB       GLU   9  -7.875  -9.046  -9.046
   58   1HG   GLU   9          1HG       GLU   9  -8.487 -11.357 -11.357
   59   2HG   GLU   9          2HG       GLU   9  -9.782 -11.304 -11.304
   60    H    PHE  10           H        PHE  10 -10.503  -6.835  -6.835
   61    HA   PHE  10           HA       PHE  10  -8.958  -4.894  -4.894
   62   1HB   PHE  10          2HB       PHE  10 -10.667  -4.999  -4.999
   63   2HB   PHE  10          1HB       PHE  10 -11.540  -3.944  -3.944
   64    HD1  PHE  10           HD2      PHE  10 -10.237  -1.851  -1.851
   65    HD2  PHE  10           HD1      PHE  10  -8.672  -4.456  -4.456
   66    HE1  PHE  10           HE2      PHE  10  -8.416  -0.226  -0.226
   67    HE2  PHE  10           HE1      PHE  10  -6.910  -2.784  -2.784
   68    HZ   PHE  10           HZ       PHE  10  -6.757  -0.708  -0.708
   69    H    ASN  11           H        ASN  11 -12.013  -6.230  -6.230
   70    HA   ASN  11           HA       ASN  11 -12.821  -4.134  -4.134
   71   1HB   ASN  11          1HB       ASN  11 -13.990  -6.357  -6.357
   72   2HB   ASN  11          2HB       ASN  11 -13.053  -7.081  -7.081
   73   1HD2  ASN  11          1HD2      ASN  11 -14.938  -4.773  -4.773
   74   2HD2  ASN  11          2HD2      ASN  11 -13.236  -4.873  -4.873
   75    H    LYS  12           HN       LYS  12 -10.150  -6.448  -6.448
   76    HA   LYS  12           HA       LYS  12  -9.529  -5.674  -5.674
   77   1HB   LYS  12          2HB       LYS  12  -8.201  -7.687  -7.687
   78   2HB   LYS  12          1HB       LYS  12  -7.880  -7.443  -7.443
   79   1HG   LYS  12          2HG       LYS  12 -10.282  -8.029  -8.029
   80   2HG   LYS  12          1HG       LYS  12 -10.501  -8.437  -8.437
   81   1HD   LYS  12          2HD       LYS  12  -8.493  -9.764  -9.764
   82   2HD   LYS  12          1HD       LYS  12 -10.078 -10.416 -10.416
   83   1HE   LYS  12          2HE       LYS  12  -9.372 -10.427 -10.427
   84   2HE   LYS  12          1HE       LYS  12  -7.749  -9.912  -9.912
   85   1HZ   LYS  12          1HZ       LYS  12  -7.581 -11.897 -11.897
   86   2HZ   LYS  12          2HZ       LYS  12  -9.085 -12.384 -12.384
   87   3HZ   LYS  12          3HZ       LYS  12  -7.875 -12.256 -12.256
   88    H    CYS  13           H        CYS  13  -8.121  -5.768  -5.768
   89    HA   CYS  13           HA       CYS  13  -5.613  -4.555  -4.555
   90   1HB   CYS  13          2HB       CYS  13  -6.827  -5.717  -5.717
   91   2HB   CYS  13          1HB       CYS  13  -7.080  -4.023  -4.023
   92    H    LYS  14           HN       LYS  14  -8.776  -2.942  -2.942
   93    HA   LYS  14           HA       LYS  14  -7.930  -0.317  -0.317
   94   1HB   LYS  14          2HB       LYS  14 -10.186   0.298   0.298
   95   2HB   LYS  14          1HB       LYS  14 -10.210  -1.150  -1.150
   96   1HG   LYS  14          2HG       LYS  14 -11.642  -1.867  -1.867
   97   2HG   LYS  14          1HG       LYS  14 -10.142  -2.364  -2.364
   98   1HD   LYS  14          2HD       LYS  14 -10.207  -0.088  -0.088
   99   2HD   LYS  14          1HD       LYS  14 -11.779   0.170   0.170
  100   1HE   LYS  14          2HE       LYS  14 -12.004  -0.674  -0.674
  101   2HE   LYS  14          1HE       LYS  14 -12.650  -1.858  -1.858
  102   1HZ   LYS  14          2HZ       LYS  14  -9.941  -2.006  -2.006
  103   2HZ   LYS  14          1HZ       LYS  14 -11.261  -2.797  -2.797
  104   3HZ   LYS  14          3HZ       LYS  14 -10.715  -3.139  -3.139
  105    H    THR  15           H        THR  15  -7.460  -2.215  -2.215
  106    HA   THR  15           HA       THR  15  -7.912  -0.324  -0.324
  107    HB   THR  15           HB       THR  15  -5.948  -2.645  -2.645
  108    HG1  THR  15           HG1      THR  15  -7.978  -3.389  -3.389
  109   1HG2  THR  15          1HG2      THR  15  -7.110  -1.095  -1.095
  110   2HG2  THR  15          2HG2      THR  15  -6.291  -2.665  -2.665
  111   3HG2  THR  15          3HG2      THR  15  -5.389  -1.248  -1.248
  112    H    CYS  16           H        CYS  16  -5.412  -0.337  -0.337
  113    HA   CYS  16           HA       CYS  16  -4.102   1.967   1.967
  114   1HB   CYS  16          1HB       CYS  16  -2.900  -0.084  -0.084
  115   2HB   CYS  16          2HB       CYS  16  -2.092   1.395   1.395
  116    H    HIS  17           HN       HIS  17  -5.656   0.881   0.881
  117    HA   HIS  17           HA       HIS  17  -4.733   3.387   3.387
  118   1HB   HIS  17          1HB       HIS  17  -5.185   0.558   0.558
  119   2HB   HIS  17          2HB       HIS  17  -5.088   1.949   1.949
  120    HD1  HIS  17           HD1      HIS  17  -2.798   3.107   3.107
  121    HD2  HIS  17           HD2      HIS  17  -2.628  -0.188  -0.188
  122    HE1  HIS  17           HE1      HIS  17  -0.399   2.331   2.331
  123    H    SER  18           H        SER  18  -6.156   4.121   4.121
  124    HA   SER  18           HA       SER  18  -9.025   3.379   3.379
  125   1HB   SER  18          1HB       SER  18  -7.867   6.205   6.205
  126   2HB   SER  18          2HB       SER  18  -9.584   5.826   5.826
  127    HG   SER  18           HG       SER  18  -7.966   5.064   5.064
  128    H    ILE  19           H        ILE  19 -10.333   4.223   4.223
  129    HA   ILE  19           HA       ILE  19  -8.913   5.125   5.125
  130    HB   ILE  19           HB       ILE  19 -10.834   2.780   2.780
  131   1HG1  ILE  19          1HG1      ILE  19  -8.831   2.002   2.002
  132   2HG1  ILE  19          2HG1      ILE  19  -7.911   3.166   3.166
  133   1HG2  ILE  19          2HG2      ILE  19 -11.407   4.392   4.392
  134   2HG2  ILE  19          3HG2      ILE  19  -9.772   4.087   4.087
  135   3HG2  ILE  19          1HG2      ILE  19 -10.943   2.761   2.761
  136   1HD1  ILE  19          1HD1      ILE  19  -8.584   1.845   1.845
  137   2HD1  ILE  19          2HD1      ILE  19  -9.449   0.727   0.727
  138   3HD1  ILE  19          3HD1      ILE  19  -7.691   0.938   0.938
  139    H    ILE  20           H        ILE  20  -9.812   6.895   6.895
  140    HA   ILE  20           HA       ILE  20 -12.626   7.570   7.570
  141    HB   ILE  20           HB       ILE  20 -10.715   8.884   8.884
  142   1HG1  ILE  20          2HG1      ILE  20 -11.940  11.154  11.154
  143   2HG1  ILE  20          1HG1      ILE  20 -13.108   9.992   9.992
  144   1HG2  ILE  20          2HG2      ILE  20  -9.285   9.109   9.109
  145   2HG2  ILE  20          1HG2      ILE  20 -10.479  10.263  10.263
  146   3HG2  ILE  20          3HG2      ILE  20  -9.604  10.621  10.621
  147   1HD1  ILE  20          3HD1      ILE  20 -13.081   8.878   8.878
  148   2HD1  ILE  20          2HD1      ILE  20 -12.058  10.210  10.210
  149   3HD1  ILE  20          1HD1      ILE  20 -13.707  10.541  10.541
  150    H    ALA  21           H        ALA  21 -13.900   8.145   8.145
  151    HA   ALA  21           HA       ALA  21 -12.786   7.545   7.545
  152   1HB   ALA  21          3HB       ALA  21 -15.188   7.215   7.215
  153   2HB   ALA  21          1HB       ALA  21 -15.381   8.977   8.977
  154   3HB   ALA  21          2HB       ALA  21 -14.999   8.169   8.169
  155    HA   PRO  22           HA       PRO  22 -11.148  11.508  11.508
  156   1HB   PRO  22          1HB       PRO  22 -13.107  11.499  11.499
  157   2HB   PRO  22          2HB       PRO  22 -11.366  11.904  11.904
  158   1HG   PRO  22          1HG       PRO  22 -12.162   9.449   9.449
  159   2HG   PRO  22          2HG       PRO  22 -10.775   9.600   9.600
  160   1HD   PRO  22          2HD       PRO  22 -13.651   8.933   8.933
  161   2HD   PRO  22          1HD       PRO  22 -12.160   8.121   8.121
  162    H    ASP  23           HN       ASP  23 -14.685  11.266  11.266
  163    HA   ASP  23           HA       ASP  23 -15.227  14.083  14.083
  164   1HB   ASP  23          1HB       ASP  23 -17.584  13.265  13.265
  165   2HB   ASP  23          2HB       ASP  23 -16.703  12.625  12.625
  166    H    GLY  24           H        GLY  24 -14.184  11.833  11.833
  167   1HA   GLY  24          1HA       GLY  24 -13.917  12.464  12.464
  168   2HA   GLY  24          2HA       GLY  24 -15.350  13.485  13.485
  169    H    THR  25           H        THR  25 -16.743  10.937  10.937
  170    HA   THR  25           HA       THR  25 -17.973   9.981   9.981
  171    HB   THR  25           HB       THR  25 -17.804   8.638   8.638
  172    HG1  THR  25           HG1      THR  25 -18.738  10.621  10.621
  173   1HG2  THR  25          3HG2      THR  25 -19.764   8.272   8.272
  174   2HG2  THR  25          1HG2      THR  25 -19.936   7.574   7.574
  175   3HG2  THR  25          2HG2      THR  25 -18.599   7.058   7.058
  176    H    GLU  26           HN       GLU  26 -17.093   8.704   8.704
  177    HA   GLU  26           HA       GLU  26 -14.524   7.488   7.488
  178   1HB   GLU  26          1HB       GLU  26 -14.643   6.760   6.760
  179   2HB   GLU  26          2HB       GLU  26 -15.233   8.414   8.414
  180   1HG   GLU  26          2HG       GLU  26 -16.710   7.428   7.428
  181   2HG   GLU  26          1HG       GLU  26 -17.626   7.426   7.426
  182    H    ILE  27           H        ILE  27 -13.950   5.434   5.434
  183    HA   ILE  27           HA       ILE  27 -16.170   3.583   3.583
  184    HB   ILE  27           HB       ILE  27 -13.177   3.356   3.356
  185   1HG1  ILE  27          2HG1      ILE  27 -13.862   5.229   5.229
  186   2HG1  ILE  27          1HG1      ILE  27 -13.753   3.848   3.848
  187   1HG2  ILE  27          2HG2      ILE  27 -15.516   1.735   1.735
  188   2HG2  ILE  27          1HG2      ILE  27 -13.836   1.602   1.602
  189   3HG2  ILE  27          3HG2      ILE  27 -14.252   1.187   1.187
  190   1HD1  ILE  27          1HD1      ILE  27 -16.305   3.593   3.593
  191   2HD1  ILE  27          3HD1      ILE  27 -16.272   5.165   5.165
  192   3HD1  ILE  27          2HD1      ILE  27 -15.747   5.035   5.035
  193    H    VAL  28           H        VAL  28 -13.217   3.899   3.899
  194    HA   VAL  28           HA       VAL  28 -14.523   2.459   2.459
  195    HB   VAL  28           HB       VAL  28 -13.841   0.499   0.499
  196   1HG1  VAL  28          2HG2      VAL  28 -12.195   1.364   1.364
  197   2HG1  VAL  28          1HG2      VAL  28 -11.036   1.646   1.646
  198   3HG1  VAL  28          3HG2      VAL  28 -11.541  -0.004  -0.004
  199   1HG2  VAL  28          2HG1      VAL  28 -13.481   0.618   0.618
  200   2HG2  VAL  28          3HG1      VAL  28 -12.400  -0.526  -0.526
  201   3HG2  VAL  28          1HG1      VAL  28 -11.780   1.048   1.048
  202    H    LYS  29           HN       LYS  29 -14.339   4.220   4.220
  203    HA   LYS  29           HA       LYS  29 -11.822   5.676   5.676
  204   1HB   LYS  29          2HB       LYS  29 -13.825   6.992   6.992
  205   2HB   LYS  29          1HB       LYS  29 -14.575   5.925   5.925
  206   1HG   LYS  29          2HG       LYS  29 -13.768   8.049   8.049
  207   2HG   LYS  29          1HG       LYS  29 -13.021   6.636   6.636
  208   1HD   LYS  29          1HD       LYS  29 -10.951   7.011   7.011
  209   2HD   LYS  29          2HD       LYS  29 -11.745   8.393   8.393
  210   1HE   LYS  29          1HE       LYS  29 -10.214   9.138   9.138
  211   2HE   LYS  29          2HE       LYS  29 -11.873   9.518   9.518
  212   1HZ   LYS  29          1HZ       LYS  29 -10.350   7.149   7.149
  213   2HZ   LYS  29          2HZ       LYS  29 -10.521   8.535   8.535
  214   3HZ   LYS  29          3HZ       LYS  29 -11.835   7.606   7.606
  215    H    GLY  30           H        GLY  30 -10.356   4.278   4.278
  216   1HA   GLY  30          1HA       GLY  30 -11.001   2.669   2.669
  217   2HA   GLY  30          2HA       GLY  30  -9.685   2.411   2.411
  218    H    ALA  31           H        ALA  31  -8.122   2.686   2.686
  219    HA   ALA  31           HA       ALA  31  -7.885   5.352   5.352
  220   1HB   ALA  31          3HB       ALA  31  -7.225   3.272   3.272
  221   2HB   ALA  31          1HB       ALA  31  -5.969   3.037   3.037
  222   3HB   ALA  31          2HB       ALA  31  -5.897   4.442   4.442
  223    H    LYS  32           HN       LYS  32  -5.452   6.208   6.208
  224    HA   LYS  32           HA       LYS  32  -4.614   6.160   6.160
  225   1HB   LYS  32          2HB       LYS  32  -4.959   8.640   8.640
  226   2HB   LYS  32          1HB       LYS  32  -4.290   8.585   8.585
  227   1HG   LYS  32          2HG       LYS  32  -6.465   7.602   7.602
  228   2HG   LYS  32          1HG       LYS  32  -7.158   7.881   7.881
  229   1HD   LYS  32          1HD       LYS  32  -6.052   9.990   9.990
  230   2HD   LYS  32          2HD       LYS  32  -7.755   9.688   9.688
  231   1HE   LYS  32          1HE       LYS  32  -5.653  10.790  10.790
  232   2HE   LYS  32          2HE       LYS  32  -7.005  11.665  11.665
  233   1HZ   LYS  32          1HZ       LYS  32  -8.501  10.225  10.225
  234   2HZ   LYS  32          2HZ       LYS  32  -7.236   9.422   9.422
  235   3HZ   LYS  32          3HZ       LYS  32  -7.490  11.012  11.012
  236    H    THR  33           H        THR  33  -3.603   4.612   4.612
  237    HA   THR  33           HA       THR  33  -1.264   5.853   5.853
  238    HB   THR  33           HB       THR  33  -1.614   2.889   2.889
  239    HG1  THR  33           HG1      THR  33  -2.979   2.843   2.843
  240   1HG2  THR  33          3HG2      THR  33   0.432   3.722   3.722
  241   2HG2  THR  33          1HG2      THR  33  -0.583   4.500   4.500
  242   3HG2  THR  33          2HG2      THR  33  -0.570   2.730   2.730
  243    H    GLY  34           H        GLY  34  -2.131   3.921   3.921
  244   1HA   GLY  34          1HA       GLY  34   0.511   4.526   4.526
  245   2HA   GLY  34          2HA       GLY  34  -0.553   3.188   3.188
  246    HA   PRO  35           HA       PRO  35  -1.493   7.420   7.420
  247   1HB   PRO  35          1HB       PRO  35  -0.741   5.683   5.683
  248   2HB   PRO  35          2HB       PRO  35  -0.554   7.452   7.452
  249   1HG   PRO  35          1HG       PRO  35   1.545   5.810   5.810
  250   2HG   PRO  35          2HG       PRO  35   1.280   7.160   7.160
  251   1HD   PRO  35          1HD       PRO  35   0.662   4.237   4.237
  252   2HD   PRO  35          2HD       PRO  35   1.324   5.407   5.407
  253    H    ASN  36           H        ASN  36  -3.233   7.840   7.840
  254    HA   ASN  36           HA       ASN  36  -5.430   5.943   5.943
  255   1HB   ASN  36          2HB       ASN  36  -5.828   8.394   8.394
  256   2HB   ASN  36          1HB       ASN  36  -5.134   8.509   8.509
  257   1HD2  ASN  36          2HD2      ASN  36  -9.027   7.740   7.740
  258   2HD2  ASN  36          1HD2      ASN  36  -8.057   8.559   8.559
  259    H    LEU  37           H        LEU  37  -5.611   4.305   4.305
  260    HA   LEU  37           HA       LEU  37  -3.539   4.091   4.091
  261   1HB   LEU  37          2HB       LEU  37  -5.515   2.020   2.020
  262   2HB   LEU  37          1HB       LEU  37  -4.187   1.742   1.742
  263    HG   LEU  37           HG       LEU  37  -3.931   2.537   2.537
  264   1HD1  LEU  37          2HD1      LEU  37  -4.538   0.178   0.178
  265   2HD1  LEU  37          1HD1      LEU  37  -3.118   0.019   0.019
  266   3HD1  LEU  37          3HD1      LEU  37  -2.908   0.307   0.307
  267   1HD2  LEU  37          2HD2      LEU  37  -1.808   2.205   2.205
  268   2HD2  LEU  37          3HD2      LEU  37  -2.064   3.613   3.613
  269   3HD2  LEU  37          1HD2      LEU  37  -1.430   2.105   2.105
  270    H    TYR  38           H        TYR  38  -6.438   5.620   5.620
  271    HA   TYR  38           HA       TYR  38  -7.674   4.375   4.375
  272   1HB   TYR  38          1HB       TYR  38  -8.809   6.153   6.153
  273   2HB   TYR  38          2HB       TYR  38  -7.518   7.293   7.293
  274    HD1  TYR  38           HD1      TYR  38 -10.250   5.260   5.260
  275    HD2  TYR  38           HD2      TYR  38  -7.442   8.488   8.488
  276    HE1  TYR  38           HE1      TYR  38 -10.964   5.520   5.520
  277    HE2  TYR  38           HE2      TYR  38  -8.106   8.697   8.697
  278    HH   TYR  38           HH       TYR  38 -10.734   6.800   6.800
  279    H    GLY  39           H        GLY  39  -6.690   3.924   3.924
  280   1HA   GLY  39          1HA       GLY  39  -5.541   4.301   4.301
  281   2HA   GLY  39          2HA       GLY  39  -5.275   5.979   5.979
  282    H    VAL  40           H        VAL  40  -4.249   3.436   3.436
  283    HA   VAL  40           HA       VAL  40  -1.531   4.174   4.174
  284    HB   VAL  40           HB       VAL  40  -2.630   2.891   2.891
  285   1HG1  VAL  40          1HG2      VAL  40  -3.673   1.102   1.102
  286   2HG1  VAL  40          3HG2      VAL  40  -2.044   0.471   0.471
  287   3HG1  VAL  40          2HG2      VAL  40  -2.687   0.457   0.457
  288   1HG2  VAL  40          2HG1      VAL  40  -0.189   3.192   3.192
  289   2HG2  VAL  40          1HG1      VAL  40  -0.621   1.605   1.605
  290   3HG2  VAL  40          3HG1      VAL  40  -0.018   1.730   1.730
  291    H    VAL  41           H        VAL  41  -3.390   1.708   1.708
  292    HA   VAL  41           HA       VAL  41  -1.208   0.339   0.339
  293    HB   VAL  41           HB       VAL  41  -4.058   0.712   0.712
  294   1HG1  VAL  41          2HG1      VAL  41  -1.971  -1.423  -1.423
  295   2HG1  VAL  41          3HG1      VAL  41  -3.660  -1.403  -1.403
  296   3HG1  VAL  41          1HG1      VAL  41  -2.538  -0.159  -0.159
  297   1HG2  VAL  41          1HG2      VAL  41  -2.827  -1.438  -1.438
  298   2HG2  VAL  41          2HG2      VAL  41  -4.082  -0.271  -0.271
  299   3HG2  VAL  41          3HG2      VAL  41  -4.439  -1.524  -1.524
  300    H    GLY  42           H        GLY  42   0.320   1.424   1.424
  301   1HA   GLY  42          1HA       GLY  42   1.180   2.247   2.247
  302   2HA   GLY  42          2HA       GLY  42  -0.282   3.204   3.204
  303    H    ARG  43           HN       ARG  43   0.297   3.616   3.616
  304    HA   ARG  43           HA       ARG  43   1.233   6.270   6.270
  305   1HB   ARG  43          2HB       ARG  43  -0.440   5.538   5.538
  306   2HB   ARG  43          1HB       ARG  43   0.881   4.812   4.812
  307   1HG   ARG  43          1HG       ARG  43   0.232   6.987   6.987
  308   2HG   ARG  43          2HG       ARG  43   1.898   7.021   7.021
  309   1HD   ARG  43          1HD       ARG  43   1.153   8.254   8.254
  310   2HD   ARG  43          2HD       ARG  43  -0.531   7.959   7.959
  311    HE   ARG  43           HE       ARG  43  -0.477   9.834   9.834
  312   1HH1  ARG  43          1HH1      ARG  43   2.824   8.635   8.635
  313   2HH1  ARG  43          2HH1      ARG  43   3.559   9.963   9.963
  314   1HH2  ARG  43          2HH2      ARG  43   0.461  11.687  11.687
  315   2HH2  ARG  43          1HH2      ARG  43   2.155  11.664  11.664
  316    H    THR  44           H        THR  44   3.193   7.215   7.215
  317    HA   THR  44           HA       THR  44   5.491   5.722   5.722
  318    HB   THR  44           HB       THR  44   5.237   8.652   8.652
  319    HG1  THR  44           HG1      THR  44   4.917   7.502   7.502
  320   1HG2  THR  44          2HG2      THR  44   7.238   7.196   7.196
  321   2HG2  THR  44          3HG2      THR  44   7.165   8.950   8.950
  322   3HG2  THR  44          1HG2      THR  44   7.559   7.876   7.876
  323    H    ALA  45           H        ALA  45   4.915   4.391   4.391
  324    HA   ALA  45           HA       ALA  45   5.583   3.640   3.640
  325   1HB   ALA  45          2HB       ALA  45   7.865   4.226   4.226
  326   2HB   ALA  45          3HB       ALA  45   7.864   5.611   5.611
  327   3HB   ALA  45          1HB       ALA  45   7.807   3.953   3.953
  328    H    GLY  46           H        GLY  46   6.970   5.162   5.162
  329   1HA   GLY  46          1HA       GLY  46   4.639   6.218   6.218
  330   2HA   GLY  46          2HA       GLY  46   6.294   6.163   6.163
  331    H    THR  47           H        THR  47   4.336   7.883   7.883
  332    HA   THR  47           HA       THR  47   5.342  10.473  10.473
  333    HB   THR  47           HB       THR  47   5.604  11.344  11.344
  334    HG1  THR  47           HG1      THR  47   5.602   8.668   8.668
  335   1HG2  THR  47          1HG2      THR  47   7.582  10.478  10.478
  336   2HG2  THR  47          3HG2      THR  47   7.368   8.897   8.897
  337   3HG2  THR  47          2HG2      THR  47   7.741  10.326  10.326
  338    H    TYR  48           H        TYR  48   2.763   8.942   8.942
  339    HA   TYR  48           HA       TYR  48   0.765  10.436  10.436
  340   1HB   TYR  48          2HB       TYR  48   0.682   8.099   8.099
  341   2HB   TYR  48          1HB       TYR  48   0.168   9.139   9.139
  342    HD1  TYR  48           HD1      TYR  48  -1.931  10.531  10.531
  343    HD2  TYR  48           HD2      TYR  48  -0.799   7.478   7.478
  344    HE1  TYR  48           HE1      TYR  48  -4.278  10.386  10.386
  345    HE2  TYR  48           HE2      TYR  48  -3.117   7.356   7.356
  346    HH   TYR  48           HH       TYR  48  -5.273   8.031   8.031
  347    HA   PRO  49           HA       PRO  49   1.492  14.060  14.060
  348   1HB   PRO  49          2HB       PRO  49  -1.083  15.277  15.277
  349   2HB   PRO  49          1HB       PRO  49   0.276  15.501  15.501
  350   1HG   PRO  49          1HG       PRO  49  -2.131  13.666  13.666
  351   2HG   PRO  49          2HG       PRO  49  -1.364  14.577  14.577
  352   1HD   PRO  49          2HD       PRO  49  -0.968  11.912  11.912
  353   2HD   PRO  49          1HD       PRO  49   0.377  12.971  12.971
  354    H    GLU  50           HN       GLU  50   0.650  15.382  15.382
  355    HA   GLU  50           HA       GLU  50   0.643  15.435  15.435
  356   1HB   GLU  50          2HB       GLU  50  -2.150  14.318  14.318
  357   2HB   GLU  50          1HB       GLU  50  -1.598  15.418  15.418
  358   1HG   GLU  50          2HG       GLU  50  -2.009  16.009  16.009
  359   2HG   GLU  50          1HG       GLU  50  -2.812  16.746  16.746
  360    H    PHE  51           H        PHE  51   2.215  13.391  13.391
  361    HA   PHE  51           HA       PHE  51   1.544  11.725  11.725
  362   1HB   PHE  51          2HB       PHE  51   0.440  10.590  10.590
  363   2HB   PHE  51          1HB       PHE  51   2.035  10.405  10.405
  364    HD1  PHE  51           HD2      PHE  51   3.773   8.971   8.971
  365    HD2  PHE  51           HD1      PHE  51  -0.303   9.271   9.271
  366    HE1  PHE  51           HE2      PHE  51   4.155   7.076   7.076
  367    HE2  PHE  51           HE1      PHE  51   0.088   7.385   7.385
  368    HZ   PHE  51           HZ       PHE  51   2.310   6.263   6.263
  369    H    LYS  52           HN       LYS  52   3.390  11.778  11.778
  370    HA   LYS  52           HA       LYS  52   5.962  12.358  12.358
  371   1HB   LYS  52          2HB       LYS  52   5.344  13.325  13.325
  372   2HB   LYS  52          1HB       LYS  52   5.077  11.733  11.733
  373   1HG   LYS  52          2HG       LYS  52   7.214  12.711  12.711
  374   2HG   LYS  52          1HG       LYS  52   7.413  11.163  11.163
  375   1HD   LYS  52          2HD       LYS  52   8.142  12.335  12.335
  376   2HD   LYS  52          1HD       LYS  52   7.818  13.903  13.903
  377   1HE   LYS  52          1HE       LYS  52  10.211  13.374  13.374
  378   2HE   LYS  52          2HE       LYS  52   9.597  13.430  13.430
  379   1HZ   LYS  52          2HZ       LYS  52   9.971  10.965  10.965
  380   2HZ   LYS  52          3HZ       LYS  52  11.041  11.544  11.544
  381   3HZ   LYS  52          1HZ       LYS  52   9.537  11.063  11.063
  382    H    TYR  53           H        TYR  53   6.945  10.718  10.718
  383    HA   TYR  53           HA       TYR  53   6.690   7.903   7.903
  384   1HB   TYR  53          2HB       TYR  53   8.119   9.079   9.079
  385   2HB   TYR  53          1HB       TYR  53   7.750   7.397   7.397
  386    HD1  TYR  53           HD2      TYR  53   6.252  10.614  10.614
  387    HD2  TYR  53           HD1      TYR  53   5.691   6.357   6.357
  388    HE1  TYR  53           HE2      TYR  53   4.090  10.765  10.765
  389    HE2  TYR  53           HE1      TYR  53   3.602   6.497   6.497
  390    HH   TYR  53           HH       TYR  53   2.162   9.651   9.651
  391    H    LYS  54           HN       LYS  54   8.874   6.783   6.783
  392    HA   LYS  54           HA       LYS  54  11.193   7.842   7.842
  393   1HB   LYS  54          1HB       LYS  54  10.594   5.043   5.043
  394   2HB   LYS  54          2HB       LYS  54  12.024   5.535   5.535
  395   1HG   LYS  54          2HG       LYS  54  10.541   6.179   6.179
  396   2HG   LYS  54          1HG       LYS  54   9.142   5.635   5.635
  397   1HD   LYS  54          1HD       LYS  54   9.778   3.902   3.902
  398   2HD   LYS  54          2HD       LYS  54   9.973   3.355   3.355
  399   1HE   LYS  54          2HE       LYS  54  11.809   2.612   2.612
  400   2HE   LYS  54          1HE       LYS  54  12.390   3.552   3.552
  401   1HZ   LYS  54          2HZ       LYS  54  11.968   4.581   4.581
  402   2HZ   LYS  54          1HZ       LYS  54  13.425   4.203   4.203
  403   3HZ   LYS  54          3HZ       LYS  54  12.539   5.451   5.451
  404    H    ASP  55           HN       ASP  55  13.312   7.368   7.368
  405    HA   ASP  55           HA       ASP  55  13.411   8.704   8.704
  406   1HB   ASP  55          1HB       ASP  55  15.504   6.736   6.736
  407   2HB   ASP  55          2HB       ASP  55  15.750   8.183   8.183
  408    H    SER  56           H        SER  56  13.182   5.170   5.170
  409    HA   SER  56           HA       SER  56  14.407   4.288   4.288
  410   1HB   SER  56          2HB       SER  56  13.230   2.158   2.158
  411   2HB   SER  56          1HB       SER  56  14.420   2.929   2.929
  412    HG   SER  56           HG       SER  56  12.238   2.442   2.442
  413    H    ILE  57           H        ILE  57  11.128   4.099   4.099
  414    HA   ILE  57           HA       ILE  57   9.873   3.302   3.302
  415    HB   ILE  57           HB       ILE  57   9.130   3.281   3.281
  416   1HG1  ILE  57          2HG1      ILE  57   6.634   3.569   3.569
  417   2HG1  ILE  57          1HG1      ILE  57   7.127   3.967   3.967
  418   1HG2  ILE  57          1HG2      ILE  57   9.397   5.639   5.639
  419   2HG2  ILE  57          2HG2      ILE  57   8.051   6.034   6.034
  420   3HG2  ILE  57          3HG2      ILE  57   7.769   5.074   5.074
  421   1HD1  ILE  57          3HD1      ILE  57   7.867   1.394   1.394
  422   2HD1  ILE  57          1HD1      ILE  57   6.486   1.576   1.576
  423   3HD1  ILE  57          2HD1      ILE  57   8.131   1.747   1.747
  424    H    VAL  58           H        VAL  58  10.776   6.554   6.554
  425    HA   VAL  58           HA       VAL  58   9.363   7.889   7.889
  426    HB   VAL  58           HB       VAL  58  11.630   8.716   8.716
  427   1HG1  VAL  58          1HG2      VAL  58  10.144  10.375  10.375
  428   2HG1  VAL  58          2HG2      VAL  58  11.175  11.040  11.040
  429   3HG1  VAL  58          3HG2      VAL  58  11.886  10.022  10.022
  430   1HG2  VAL  58          3HG1      VAL  58   9.285   8.392   8.392
  431   2HG2  VAL  58          1HG1      VAL  58   9.971  10.016  10.016
  432   3HG2  VAL  58          2HG1      VAL  58   8.759   9.708   9.708
  433    H    ALA  59           H        ALA  59  12.757   6.883   6.883
  434    HA   ALA  59           HA       ALA  59  13.965   7.651   7.651
  435   1HB   ALA  59          1HB       ALA  59  15.209   6.843   6.843
  436   2HB   ALA  59          2HB       ALA  59  14.625   5.188   5.188
  437   3HB   ALA  59          3HB       ALA  59  15.677   5.975   5.975
  438    H    LEU  60           H        LEU  60  12.009   4.597   4.597
  439    HA   LEU  60           HA       LEU  60  12.625   3.412   3.412
  440   1HB   LEU  60          1HB       LEU  60  10.393   3.409   3.409
  441   2HB   LEU  60          2HB       LEU  60   9.980   2.885   2.885
  442    HG   LEU  60           HG       LEU  60  12.033   1.623   1.623
  443   1HD1  LEU  60          3HD1      LEU  60   9.698   1.149   1.149
  444   2HD1  LEU  60          2HD1      LEU  60   9.422   0.610   0.610
  445   3HD1  LEU  60          1HD1      LEU  60  10.521  -0.299  -0.299
  446   1HD2  LEU  60          3HD2      LEU  60  11.383   0.958   0.958
  447   2HD2  LEU  60          2HD2      LEU  60  12.986   1.281   1.281
  448   3HD2  LEU  60          1HD2      LEU  60  12.138  -0.199  -0.199
  449    H    GLY  61           H        GLY  61  10.172   5.902   5.902
  450   1HA   GLY  61          1HA       GLY  61   8.937   6.082   6.082
  451   2HA   GLY  61          2HA       GLY  61   8.918   7.300   7.300
  452    H    ALA  62           H        ALA  62  11.511   7.965   7.965
  453    HA   ALA  62           HA       ALA  62  12.102   9.758   9.758
  454   1HB   ALA  62          1HB       ALA  62  12.979   9.932   9.932
  455   2HB   ALA  62          3HB       ALA  62  14.088   8.583   8.583
  456   3HB   ALA  62          2HB       ALA  62  14.241  10.106  10.106
  457    H    SER  63           H        SER  63  13.258   6.430   6.430
  458    HA   SER  63           HA       SER  63  15.085   6.414   6.414
  459   1HB   SER  63          2HB       SER  63  15.236   4.938   4.938
  460   2HB   SER  63          1HB       SER  63  13.812   4.054   4.054
  461    HG   SER  63           HG       SER  63  15.082   3.788   3.788
  462    H    GLY  64           H        GLY  64  11.750   6.667   6.667
  463   1HA   GLY  64          1HA       GLY  64  10.570   6.689   6.689
  464   2HA   GLY  64          2HA       GLY  64  11.758   5.646   5.646
  465    H    PHE  65           H        PHE  65  10.640   4.562   4.562
  466    HA   PHE  65           HA       PHE  65   9.463   2.190   2.190
  467   1HB   PHE  65          1HB       PHE  65  10.551   2.390   2.390
  468   2HB   PHE  65          2HB       PHE  65   9.290   3.530   3.530
  469    HD1  PHE  65           HD1      PHE  65   6.964   2.869   2.869
  470    HD2  PHE  65           HD2      PHE  65  10.034  -0.043  -0.043
  471    HE1  PHE  65           HE1      PHE  65   5.849   1.275   1.275
  472    HE2  PHE  65           HE2      PHE  65   8.882  -1.663  -1.663
  473    HZ   PHE  65           HZ       PHE  65   6.875  -0.941  -0.941
  474    H    ALA  66           H        ALA  66   7.269   1.583   1.583
  475    HA   ALA  66           HA       ALA  66   5.175   3.551   3.551
  476   1HB   ALA  66          2HB       ALA  66   5.357   2.119   2.119
  477   2HB   ALA  66          1HB       ALA  66   3.962   3.050   3.050
  478   3HB   ALA  66          3HB       ALA  66   5.503   3.872   3.872
  479    H    TRP  67           H        TRP  67   3.685   2.451   2.451
  480    HA   TRP  67           HA       TRP  67   4.087  -0.319  -0.319
  481   1HB   TRP  67          2HB       TRP  67   1.889   1.699   1.699
  482   2HB   TRP  67          1HB       TRP  67   1.653   0.006   0.006
  483    HD1  TRP  67           HD1      TRP  67   2.644   3.049   3.049
  484    HE1  TRP  67           HE1      TRP  67   3.961   2.629   2.629
  485    HE3  TRP  67           HE3      TRP  67   3.652  -1.929  -1.929
  486    HZ2  TRP  67           HZ2      TRP  67   5.369   0.462   0.462
  487    HZ3  TRP  67           HZ3      TRP  67   4.981  -3.146  -3.146
  488    HH2  TRP  67           HH2      TRP  67   5.938  -1.957  -1.957
  489    H    THR  68           H        THR  68   2.710  -2.046  -2.046
  490    HA   THR  68           HA       THR  68   0.819  -1.898  -1.898
  491    HB   THR  68           HB       THR  68   1.721  -3.894  -3.894
  492    HG1  THR  68           HG1      THR  68   4.103  -3.874  -3.874
  493   1HG2  THR  68          3HG2      THR  68   2.635  -1.767  -1.767
  494   2HG2  THR  68          1HG2      THR  68   4.011  -1.930  -1.930
  495   3HG2  THR  68          2HG2      THR  68   3.771  -3.126  -3.126
  496    H    GLU  69           HN       GLU  69  -0.477  -3.979  -3.979
  497    HA   GLU  69           HA       GLU  69  -1.530  -4.707  -4.707
  498   1HB   GLU  69          1HB       GLU  69  -1.287  -6.377  -6.377
  499   2HB   GLU  69          2HB       GLU  69  -2.401  -6.637  -6.637
  500   1HG   GLU  69          2HG       GLU  69  -3.564  -5.694  -5.694
  501   2HG   GLU  69          1HG       GLU  69  -3.403  -4.351  -4.351
  502    H    GLU  70           HN       GLU  70   0.845  -6.204  -6.204
  503    HA   GLU  70           HA       GLU  70   1.499  -8.540  -8.540
  504   1HB   GLU  70          2HB       GLU  70   3.575  -6.932  -6.932
  505   2HB   GLU  70          1HB       GLU  70   3.551  -8.646  -8.646
  506   1HG   GLU  70          2HG       GLU  70   2.972  -8.600  -8.600
  507   2HG   GLU  70          1HG       GLU  70   1.354  -8.700  -8.700
  508    H    ASP  71           HN       ASP  71   3.314  -5.486  -5.486
  509    HA   ASP  71           HA       ASP  71   5.158  -6.065  -6.065
  510   1HB   ASP  71          1HB       ASP  71   4.037  -3.445  -3.445
  511   2HB   ASP  71          2HB       ASP  71   5.280  -3.518  -3.518
  512    H    ILE  72           H        ILE  72   1.940  -4.470  -4.470
  513    HA   ILE  72           HA       ILE  72   2.139  -3.930  -3.930
  514    HB   ILE  72           HB       ILE  72  -0.268  -4.394  -4.394
  515   1HG1  ILE  72          2HG1      ILE  72   0.656  -1.756  -1.756
  516   2HG1  ILE  72          1HG1      ILE  72   1.353  -2.343  -2.343
  517   1HG2  ILE  72          3HG2      ILE  72  -0.142  -3.404  -3.404
  518   2HG2  ILE  72          2HG2      ILE  72  -1.570  -3.266  -3.266
  519   3HG2  ILE  72          1HG2      ILE  72  -0.978  -4.858  -4.858
  520   1HD1  ILE  72          1HD1      ILE  72  -0.927  -2.540  -2.540
  521   2HD1  ILE  72          3HD1      ILE  72  -1.594  -1.787  -1.787
  522   3HD1  ILE  72          2HD1      ILE  72  -0.457  -0.890  -0.890
  523    H    ALA  73           H        ALA  73   0.616  -6.646  -6.646
  524    HA   ALA  73           HA       ALA  73  -0.268  -8.171  -8.171
  525   1HB   ALA  73          2HB       ALA  73  -0.861  -8.643  -8.643
  526   2HB   ALA  73          3HB       ALA  73   0.807  -9.142  -9.142
  527   3HB   ALA  73          1HB       ALA  73  -0.185 -10.084 -10.084
  528    H    THR  74           H        THR  74   2.967  -8.114  -8.114
  529    HA   THR  74           HA       THR  74   4.064 -10.202 -10.202
  530    HB   THR  74           HB       THR  74   5.545  -7.924  -7.924
  531    HG1  THR  74           HG1      THR  74   4.209  -8.997  -8.997
  532   1HG2  THR  74          1HG2      THR  74   6.385 -10.760 -10.760
  533   2HG2  THR  74          3HG2      THR  74   7.366  -9.582  -9.582
  534   3HG2  THR  74          2HG2      THR  74   6.943  -9.278  -9.278
  535    H    TYR  75           H        TYR  75   4.468  -6.638  -6.638
  536    HA   TYR  75           HA       TYR  75   5.969  -6.308  -6.308
  537   1HB   TYR  75          1HB       TYR  75   5.464  -4.502  -4.502
  538   2HB   TYR  75          2HB       TYR  75   3.733  -4.626  -4.626
  539    HD1  TYR  75           HD1      TYR  75   6.963  -3.955  -3.955
  540    HD2  TYR  75           HD2      TYR  75   2.727  -3.230  -3.230
  541    HE1  TYR  75           HE1      TYR  75   7.166  -2.299  -2.299
  542    HE2  TYR  75           HE2      TYR  75   2.938  -1.611  -1.611
  543    HH   TYR  75           HH       TYR  75   4.277  -0.821  -0.821
  544    H    VAL  76           H        VAL  76   2.334  -6.495  -6.495
  545    HA   VAL  76           HA       VAL  76   2.155  -6.057  -6.057
  546    HB   VAL  76           HB       VAL  76   0.058  -7.329  -7.329
  547   1HG1  VAL  76          3HG1      VAL  76   0.092  -4.912  -4.912
  548   2HG1  VAL  76          2HG1      VAL  76   0.388  -5.218  -5.218
  549   3HG1  VAL  76          1HG1      VAL  76  -1.151  -5.701  -5.701
  550   1HG2  VAL  76          1HG2      VAL  76   0.502  -8.989  -8.989
  551   2HG2  VAL  76          3HG2      VAL  76  -0.966  -8.052  -8.052
  552   3HG2  VAL  76          2HG2      VAL  76   0.501  -7.692  -7.692
  553    H    LYS  77           HN       LYS  77   3.009  -9.062  -9.062
  554    HA   LYS  77           HA       LYS  77   2.893 -10.622 -10.622
  555   1HB   LYS  77          1HB       LYS  77   4.127 -11.463 -11.463
  556   2HB   LYS  77          2HB       LYS  77   3.564 -12.476 -12.476
  557   1HG   LYS  77          2HG       LYS  77   1.212 -11.535 -11.535
  558   2HG   LYS  77          1HG       LYS  77   1.916 -10.855 -10.855
  559   1HD   LYS  77          2HD       LYS  77   2.769 -13.247 -13.247
  560   2HD   LYS  77          1HD       LYS  77   1.690 -13.778 -13.778
  561   1HE   LYS  77          2HE       LYS  77   0.431 -14.048 -14.048
  562   2HE   LYS  77          1HE       LYS  77  -0.197 -12.546 -12.546
  563   1HZ   LYS  77          1HZ       LYS  77   1.805 -12.729 -12.729
  564   2HZ   LYS  77          3HZ       LYS  77   0.216 -12.341 -12.341
  565   3HZ   LYS  77          2HZ       LYS  77   1.216 -11.334 -11.334
  566    H    ASP  78           HN       ASP  78   5.170  -8.530  -8.530
  567    HA   ASP  78           HA       ASP  78   7.447  -9.604  -9.604
  568   1HB   ASP  78          2HB       ASP  78   7.717  -8.945  -8.945
  569   2HB   ASP  78          1HB       ASP  78   8.901  -9.705  -9.705
  570    HA   PRO  79           HA       PRO  79   7.200  -4.898  -4.898
  571   1HB   PRO  79          2HB       PRO  79   6.937  -4.203  -4.203
  572   2HB   PRO  79          1HB       PRO  79   5.560  -4.500  -4.500
  573   1HG   PRO  79          1HG       PRO  79   6.884  -6.434  -6.434
  574   2HG   PRO  79          2HG       PRO  79   5.144  -6.070  -6.070
  575   1HD   PRO  79          2HD       PRO  79   6.275  -8.250  -8.250
  576   2HD   PRO  79          1HD       PRO  79   5.007  -7.303  -7.303
  577    H    GLY  80           H        GLY  80   9.061  -3.736  -3.736
  578   1HA   GLY  80          1HA       GLY  80  11.229  -3.205  -3.205
  579   2HA   GLY  80          2HA       GLY  80  11.187  -4.521  -4.521
  580    H    ALA  81           H        ALA  81  10.830  -6.784  -6.784
  581    HA   ALA  81           HA       ALA  81  13.266  -7.405  -7.405
  582   1HB   ALA  81          2HB       ALA  81  10.584  -8.808  -8.808
  583   2HB   ALA  81          1HB       ALA  81  12.075  -9.518  -9.518
  584   3HB   ALA  81          3HB       ALA  81  11.968  -9.109  -9.109
  585    H    PHE  82           H        PHE  82  10.032  -6.694  -6.694
  586    HA   PHE  82           HA       PHE  82  10.466  -6.866  -6.866
  587   1HB   PHE  82          2HB       PHE  82   8.314  -6.267  -6.267
  588   2HB   PHE  82          1HB       PHE  82   9.010  -4.742  -4.742
  589    HD1  PHE  82           HD2      PHE  82   7.911  -6.750  -6.750
  590    HD2  PHE  82           HD1      PHE  82   9.065  -2.853  -2.853
  591    HE1  PHE  82           HE2      PHE  82   7.184  -5.732  -5.732
  592    HE2  PHE  82           HE1      PHE  82   8.418  -1.859  -1.859
  593    HZ   PHE  82           HZ       PHE  82   7.437  -3.301  -3.301
  594    H    LEU  83           H        LEU  83  11.336  -4.093  -4.093
  595    HA   LEU  83           HA       LEU  83  12.340  -2.454  -2.454
  596   1HB   LEU  83          1HB       LEU  83  12.559  -2.169  -2.169
  597   2HB   LEU  83          2HB       LEU  83  13.145  -1.043  -1.043
  598    HG   LEU  83           HG       LEU  83  10.573  -1.277  -1.277
  599   1HD1  LEU  83          2HD2      LEU  83   9.896  -2.719  -2.719
  600   2HD1  LEU  83          1HD2      LEU  83  10.445  -1.456  -1.456
  601   3HD1  LEU  83          3HD2      LEU  83   9.084  -1.143  -1.143
  602   1HD2  LEU  83          2HD1      LEU  83  11.809   0.832   0.832
  603   2HD2  LEU  83          3HD1      LEU  83  10.178   0.885   0.885
  604   3HD2  LEU  83          1HD1      LEU  83  11.562   0.591   0.591
  605    H    LYS  84           HN       LYS  84  13.845  -4.176  -4.176
  606    HA   LYS  84           HA       LYS  84  16.483  -3.882  -3.882
  607   1HB   LYS  84          1HB       LYS  84  15.348  -6.528  -6.528
  608   2HB   LYS  84          2HB       LYS  84  16.943  -5.858  -5.858
  609   1HG   LYS  84          2HG       LYS  84  16.527  -4.148  -4.148
  610   2HG   LYS  84          1HG       LYS  84  14.786  -4.253  -4.253
  611   1HD   LYS  84          1HD       LYS  84  15.413  -5.201  -5.201
  612   2HD   LYS  84          2HD       LYS  84  14.678  -6.399  -6.399
  613   1HE   LYS  84          1HE       LYS  84  16.630  -7.318  -7.318
  614   2HE   LYS  84          2HE       LYS  84  16.894  -7.368  -7.368
  615   1HZ   LYS  84          2HZ       LYS  84  17.943  -5.316  -5.316
  616   2HZ   LYS  84          3HZ       LYS  84  18.802  -6.567  -6.567
  617   3HZ   LYS  84          1HZ       LYS  84  18.208  -5.386  -5.386
  618    H    GLU  85           HN       GLU  85  14.147  -6.096  -6.096
  619    HA   GLU  85           HA       GLU  85  16.108  -7.350  -7.350
  620   1HB   GLU  85          2HB       GLU  85  14.023  -8.451  -8.451
  621   2HB   GLU  85          1HB       GLU  85  13.066  -7.141  -7.141
  622   1HG   GLU  85          2HG       GLU  85  13.965  -7.645  -7.645
  623   2HG   GLU  85          1HG       GLU  85  14.969  -8.923  -8.923
  624    H    LYS  86           HN       LYS  86  13.469  -4.970  -4.970
  625    HA   LYS  86           HA       LYS  86  14.575  -4.550  -4.550
  626   1HB   LYS  86          1HB       LYS  86  12.347  -3.094  -3.094
  627   2HB   LYS  86          2HB       LYS  86  12.767  -2.937  -2.937
  628   1HG   LYS  86          2HG       LYS  86  12.368  -5.443  -5.443
  629   2HG   LYS  86          1HG       LYS  86  11.831  -5.471  -5.471
  630   1HD   LYS  86          1HD       LYS  86   9.842  -5.339  -5.339
  631   2HD   LYS  86          2HD       LYS  86  10.102  -3.758  -3.758
  632   1HE   LYS  86          1HE       LYS  86   9.321  -3.534  -3.534
  633   2HE   LYS  86          2HE       LYS  86  10.957  -2.885  -2.885
  634   1HZ   LYS  86          2HZ       LYS  86  10.225  -5.554  -5.554
  635   2HZ   LYS  86          1HZ       LYS  86  10.649  -4.265  -4.265
  636   3HZ   LYS  86          3HZ       LYS  86  11.759  -4.949  -4.949
  637    H    LEU  87           H        LEU  87  14.370  -2.413  -2.413
  638    HA   LEU  87           HA       LEU  87  15.633  -0.198  -0.198
  639   1HB   LEU  87          1HB       LEU  87  13.949   0.152   0.152
  640   2HB   LEU  87          2HB       LEU  87  15.045  -0.629  -0.629
  641    HG   LEU  87           HG       LEU  87  16.729   1.178   1.178
  642   1HD1  LEU  87          2HD1      LEU  87  14.462   2.510   2.510
  643   2HD1  LEU  87          1HD1      LEU  87  15.968   3.292   3.292
  644   3HD1  LEU  87          3HD1      LEU  87  16.023   1.993   1.993
  645   1HD2  LEU  87          1HD2      LEU  87  15.147   1.207   1.207
  646   2HD2  LEU  87          3HD2      LEU  87  15.546   2.838   2.838
  647   3HD2  LEU  87          2HD2      LEU  87  13.981   2.106   2.106
  648    H    ASP  88           HN       ASP  88  16.502  -2.675  -2.675
  649    HA   ASP  88           HA       ASP  88  18.492  -3.410  -3.410
  650   1HB   ASP  88          1HB       ASP  88  18.780  -4.113  -4.113
  651   2HB   ASP  88          2HB       ASP  88  19.505  -2.548  -2.548
  652    H    ASP  89           HN       ASP  89  18.115  -1.565  -1.565
  653    HA   ASP  89           HA       ASP  89  20.508   0.191   0.191
  654   1HB   ASP  89          2HB       ASP  89  18.891   1.715   1.715
  655   2HB   ASP  89          1HB       ASP  89  17.580   0.867   0.867
  656    H    LYS  90           HN       LYS  90  21.306   0.342   0.342
  657    HA   LYS  90           HA       LYS  90  21.068  -1.844  -1.844
  658   1HB   LYS  90          2HB       LYS  90  23.038  -0.378  -0.378
  659   2HB   LYS  90          1HB       LYS  90  22.087   0.997   0.997
  660   1HG   LYS  90          1HG       LYS  90  23.504   0.103   0.103
  661   2HG   LYS  90          2HG       LYS  90  21.802  -0.066  -0.066
  662   1HD   LYS  90          2HD       LYS  90  21.847  -2.459  -2.459
  663   2HD   LYS  90          1HD       LYS  90  23.507  -2.303  -2.303
  664   1HE   LYS  90          2HE       LYS  90  24.286  -1.676  -1.676
  665   2HE   LYS  90          1HE       LYS  90  22.624  -1.815  -1.815
  666   1HZ   LYS  90          2HZ       LYS  90  22.666  -4.124  -4.124
  667   2HZ   LYS  90          3HZ       LYS  90  24.209  -3.993  -3.993
  668   3HZ   LYS  90          1HZ       LYS  90  23.897  -3.773  -3.773
  669    H    LYS  91           HN       LYS  91  19.439   1.319   1.319
  670    HA   LYS  91           HA       LYS  91  17.798   0.547   0.547
  671   1HB   LYS  91          1HB       LYS  91  17.271   2.938   2.938
  672   2HB   LYS  91          2HB       LYS  91  18.953   2.500   2.500
  673   1HG   LYS  91          1HG       LYS  91  19.613   3.320   3.320
  674   2HG   LYS  91          2HG       LYS  91  17.945   3.768   3.768
  675   1HD   LYS  91          1HD       LYS  91  19.168   4.876   4.876
  676   2HD   LYS  91          2HD       LYS  91  19.801   5.465   5.465
  677   1HE   LYS  91          2HE       LYS  91  18.031   6.941   6.941
  678   2HE   LYS  91          1HE       LYS  91  17.617   6.205   6.205
  679   1HZ   LYS  91          3HZ       LYS  91  16.658   5.290   5.290
  680   2HZ   LYS  91          2HZ       LYS  91  15.803   6.220   6.220
  681   3HZ   LYS  91          1HZ       LYS  91  16.217   4.669   4.669
  682    H    ALA  92           H        ALA  92  17.382  -0.603  -0.603
  683    HA   ALA  92           HA       ALA  92  15.024   0.605   0.605
  684   1HB   ALA  92          2HB       ALA  92  16.283  -2.146  -2.146
  685   2HB   ALA  92          1HB       ALA  92  14.933  -1.590  -1.590
  686   3HB   ALA  92          3HB       ALA  92  16.484  -0.784  -0.784
  687    H    LYS  93           HN       LYS  93  14.101   0.832   0.832
  688    HA   LYS  93           HA       LYS  93  12.459  -1.585  -1.585
  689   1HB   LYS  93          2HB       LYS  93  13.087   0.753   0.753
  690   2HB   LYS  93          1HB       LYS  93  12.513  -0.858  -0.858
  691   1HG   LYS  93          1HG       LYS  93  15.276  -0.111  -0.111
  692   2HG   LYS  93          2HG       LYS  93  14.874  -0.494  -0.494
  693   1HD   LYS  93          2HD       LYS  93  14.673  -2.786  -2.786
  694   2HD   LYS  93          1HD       LYS  93  14.292  -2.593  -2.593
  695   1HE   LYS  93          2HE       LYS  93  16.555  -3.514  -3.514
  696   2HE   LYS  93          1HE       LYS  93  16.557  -1.965  -1.965
  697   1HZ   LYS  93          1HZ       LYS  93  17.115  -0.937  -0.937
  698   2HZ   LYS  93          2HZ       LYS  93  17.273  -2.433  -2.433
  699   3HZ   LYS  93          3HZ       LYS  93  18.261  -1.967  -1.967
  700    H    THR  94           H        THR  94  10.344  -0.687  -0.687
  701    HA   THR  94           HA       THR  94   9.197   1.661   1.661
  702    HB   THR  94           HB       THR  94   8.470   0.019   0.019
  703    HG1  THR  94           HG1      THR  94   6.267  -0.087  -0.087
  704   1HG2  THR  94          2HG2      THR  94   7.795  -1.820  -1.820
  705   2HG2  THR  94          1HG2      THR  94   7.424  -2.128  -2.128
  706   3HG2  THR  94          3HG2      THR  94   9.109  -2.063  -2.063
  707    H    GLY  95           H        GLY  95   7.524   2.461   2.461
  708   1HA   GLY  95          1HA       GLY  95   7.709   1.837   1.837
  709   2HA   GLY  95          2HA       GLY  95   6.480   2.842   2.842
  710    H    MET  96           H        MET  96   6.047   0.282   0.282
  711    HA   MET  96           HA       MET  96   3.742  -0.617  -0.617
  712   1HB   MET  96          2HB       MET  96   4.299  -0.430  -0.430
  713   2HB   MET  96          1HB       MET  96   5.259  -1.894  -1.894
  714   1HG   MET  96          1HG       MET  96   3.444  -3.271  -3.271
  715   2HG   MET  96          2HG       MET  96   2.450  -2.022  -2.022
  716   1HE   MET  96          1HE       MET  96   3.144  -4.123  -4.123
  717   2HE   MET  96          2HE       MET  96   1.472  -4.249  -4.249
  718   3HE   MET  96          3HE       MET  96   1.781  -3.618  -3.618
  719    H    ALA  97           H        ALA  97   4.779  -1.203  -1.203
  720    HA   ALA  97           HA       ALA  97   6.049  -3.807  -3.807
  721   1HB   ALA  97          3HB       ALA  97   6.392  -2.012  -2.012
  722   2HB   ALA  97          1HB       ALA  97   4.670  -2.063  -2.063
  723   3HB   ALA  97          2HB       ALA  97   5.715  -3.463  -3.463
  724    H    PHE  98           H        PHE  98   4.136  -4.472  -4.472
  725    HA   PHE  98           HA       PHE  98   2.363  -6.287  -6.287
  726   1HB   PHE  98          2HB       PHE  98   0.932  -4.364  -4.364
  727   2HB   PHE  98          1HB       PHE  98   1.383  -3.808  -3.808
  728    HD1  PHE  98           HD1      PHE  98  -0.706  -6.273  -6.273
  729    HD2  PHE  98           HD2      PHE  98   0.433  -4.738  -4.738
  730    HE1  PHE  98           HE1      PHE  98  -2.573  -7.517  -7.517
  731    HE2  PHE  98           HE2      PHE  98  -1.419  -6.004  -6.004
  732    HZ   PHE  98           HZ       PHE  98  -2.938  -7.381  -7.381
  733    H    LYS  99           HN       LYS  99   1.838  -7.996  -7.996
  734    HA   LYS  99           HA       LYS  99   2.525  -7.658  -7.658
  735   1HB   LYS  99          2HB       LYS  99   2.991 -10.328 -10.328
  736   2HB   LYS  99          1HB       LYS  99   3.554  -9.716  -9.716
  737   1HG   LYS  99          2HG       LYS  99   5.030  -8.102  -8.102
  738   2HG   LYS  99          1HG       LYS  99   4.582  -9.011  -9.011
  739   1HD   LYS  99          2HD       LYS  99   5.462 -11.099 -11.099
  740   2HD   LYS  99          1HD       LYS  99   5.832 -10.236 -10.236
  741   1HE   LYS  99          1HE       LYS  99   7.869 -10.534 -10.534
  742   2HE   LYS  99          2HE       LYS  99   7.479  -8.812  -8.812
  743   1HZ   LYS  99          1HZ       LYS  99   6.894 -10.556 -10.556
  744   2HZ   LYS  99          3HZ       LYS  99   8.125  -9.464  -9.464
  745   3HZ   LYS  99          2HZ       LYS  99   6.564  -8.943  -8.943
  746    H    LEU 100           H        LEU 100   1.304  -9.328  -9.328
  747    HA   LEU 100           HA       LEU 100  -1.350  -9.927  -9.927
  748   1HB   LEU 100          2HB       LEU 100  -1.365  -8.323  -8.323
  749   2HB   LEU 100          1HB       LEU 100  -0.633  -9.621  -9.621
  750    HG   LEU 100           HG       LEU 100  -2.760 -10.986 -10.986
  751   1HD1  LEU 100          2HD1      LEU 100  -3.628  -8.915  -8.915
  752   2HD1  LEU 100          3HD1      LEU 100  -3.757  -8.145  -8.145
  753   3HD1  LEU 100          1HD1      LEU 100  -4.749  -9.566  -9.566
  754   1HD2  LEU 100          3HD2      LEU 100  -2.777  -9.394  -9.394
  755   2HD2  LEU 100          2HD2      LEU 100  -2.131 -11.043 -11.043
  756   3HD2  LEU 100          1HD2      LEU 100  -3.879 -10.734 -10.734
  757    H    ALA 101           H        ALA 101  -2.004 -12.035 -12.035
  758    HA   ALA 101           HA       ALA 101   0.289 -13.942 -13.942
  759   1HB   ALA 101          3HB       ALA 101  -0.610 -13.751 -13.751
  760   2HB   ALA 101          1HB       ALA 101  -2.242 -14.141 -14.141
  761   3HB   ALA 101          2HB       ALA 101  -0.930 -15.359 -15.359
  762    H    LYS 102           HN       LYS 102  -0.651 -13.065 -13.065
  763    HA   LYS 102           HA       LYS 102  -1.003 -13.960 -13.960
  764   1HB   LYS 102          2HB       LYS 102  -2.437 -16.365 -16.365
  765   2HB   LYS 102          1HB       LYS 102  -1.979 -16.094 -16.094
  766   1HG   LYS 102          2HG       LYS 102   0.419 -16.025 -16.025
  767   2HG   LYS 102          1HG       LYS 102  -0.026 -16.383 -16.383
  768   1HD   LYS 102          1HD       LYS 102  -1.128 -18.484 -18.484
  769   2HD   LYS 102          2HD       LYS 102  -0.628 -18.174 -18.174
  770   1HE   LYS 102          2HE       LYS 102   1.250 -18.559 -18.559
  771   2HE   LYS 102          1HE       LYS 102   0.871 -19.780 -19.780
  772   1HZ   LYS 102          1HZ       LYS 102   1.818 -18.332 -18.332
  773   2HZ   LYS 102          2HZ       LYS 102   2.207 -17.216 -17.216
  774   3HZ   LYS 102          3HZ       LYS 102   2.916 -18.701 -18.701
  775    H    GLY 103           H        GLY 103  -2.824 -13.970 -13.970
  776   1HA   GLY 103          1HA       GLY 103  -5.088 -13.502 -13.502
  777   2HA   GLY 103          2HA       GLY 103  -5.324 -12.788 -12.788
  778    H    GLY 104           H        GLY 104  -2.337 -11.732 -11.732
  779   1HA   GLY 104          1HA       GLY 104  -2.829  -9.077  -9.077
  780   2HA   GLY 104          2HA       GLY 104  -1.376  -9.950  -9.950
  781    H    GLU 105           HN       GLU 105  -2.787 -11.753 -11.753
  782    HA   GLU 105           HA       GLU 105  -2.834 -10.200 -10.200
  783   1HB   GLU 105          2HB       GLU 105  -3.900 -12.347 -12.347
  784   2HB   GLU 105          1HB       GLU 105  -2.231 -12.404 -12.404
  785   1HG   GLU 105          2HG       GLU 105  -4.479 -13.256 -13.256
  786   2HG   GLU 105          1HG       GLU 105  -3.892 -14.322 -14.322
  787    H    ASP 106           HN       ASP 106  -5.412 -11.578 -11.578
  788    HA   ASP 106           HA       ASP 106  -7.634 -10.692 -10.692
  789   1HB   ASP 106          1HB       ASP 106  -7.471 -11.228 -11.228
  790   2HB   ASP 106          2HB       ASP 106  -8.925 -11.153 -11.153
  791    H    VAL 107           H        VAL 107  -5.953  -9.346  -9.346
  792    HA   VAL 107           HA       VAL 107  -7.485  -6.954  -6.954
  793    HB   VAL 107           HB       VAL 107  -4.616  -7.545  -7.545
  794   1HG1  VAL 107          1HG1      VAL 107  -6.465  -5.243  -5.243
  795   2HG1  VAL 107          3HG1      VAL 107  -4.996  -5.676  -5.676
  796   3HG1  VAL 107          2HG1      VAL 107  -4.876  -5.125  -5.125
  797   1HG2  VAL 107          1HG2      VAL 107  -6.375  -8.994  -8.994
  798   2HG2  VAL 107          3HG2      VAL 107  -5.607  -7.907  -7.907
  799   3HG2  VAL 107          2HG2      VAL 107  -7.223  -7.531  -7.531
  800    H    ALA 108           H        ALA 108  -4.492  -7.641  -7.641
  801    HA   ALA 108           HA       ALA 108  -4.150  -5.047  -5.047
  802   1HB   ALA 108          3HB       ALA 108  -3.413  -7.756  -7.756
  803   2HB   ALA 108          2HB       ALA 108  -2.847  -6.182  -6.182
  804   3HB   ALA 108          1HB       ALA 108  -2.410  -6.733  -6.733
  805    H    ALA 109           H        ALA 109  -6.046  -7.861  -7.861
  806    HA   ALA 109           HA       ALA 109  -6.998  -6.582  -6.582
  807   1HB   ALA 109          1HB       ALA 109  -7.213  -8.982  -8.982
  808   2HB   ALA 109          3HB       ALA 109  -8.377  -8.707  -8.707
  809   3HB   ALA 109          2HB       ALA 109  -8.792  -8.253  -8.253
  810    H    TYR 110           H        TYR 110  -8.327  -6.615  -6.615
  811    HA   TYR 110           HA       TYR 110 -10.630  -5.035  -5.035
  812   1HB   TYR 110          2HB       TYR 110 -10.485  -6.173  -6.173
  813   2HB   TYR 110          1HB       TYR 110  -8.981  -5.384  -5.384
  814    HD1  TYR 110           HD2      TYR 110 -12.629  -4.793  -4.793
  815    HD2  TYR 110           HD1      TYR 110  -8.932  -3.217  -3.217
  816    HE1  TYR 110           HE2      TYR 110 -13.879  -2.998  -2.998
  817    HE2  TYR 110           HE1      TYR 110 -10.183  -1.480  -1.480
  818    HH   TYR 110           HH       TYR 110 -12.254  -0.636  -0.636
  819    H    LEU 111           H        LEU 111  -7.317  -3.998  -3.998
  820    HA   LEU 111           HA       LEU 111  -7.838  -1.220  -1.220
  821   1HB   LEU 111          1HB       LEU 111  -5.286  -2.770  -2.770
  822   2HB   LEU 111          2HB       LEU 111  -5.344  -1.009  -1.009
  823    HG   LEU 111           HG       LEU 111  -6.428  -2.779  -2.779
  824   1HD1  LEU 111          2HD2      LEU 111  -3.627  -1.644  -1.644
  825   2HD1  LEU 111          3HD2      LEU 111  -4.269  -2.400  -2.400
  826   3HD1  LEU 111          1HD2      LEU 111  -4.081  -3.360  -3.360
  827   1HD2  LEU 111          2HD1      LEU 111  -5.542   0.141   0.141
  828   2HD2  LEU 111          3HD1      LEU 111  -7.199  -0.447  -0.447
  829   3HD2  LEU 111          1HD1      LEU 111  -5.977  -0.719  -0.719
  830    H    ALA 112           H        ALA 112  -6.661  -3.359  -3.359
  831    HA   ALA 112           HA       ALA 112  -6.567  -1.427  -1.427
  832   1HB   ALA 112          1HB       ALA 112  -5.702  -3.725  -3.725
  833   2HB   ALA 112          2HB       ALA 112  -7.362  -4.353  -4.353
  834   3HB   ALA 112          3HB       ALA 112  -6.781  -3.289  -3.289
  835    H    SER 113           H        SER 113  -9.352  -3.373  -3.373
  836    HA   SER 113           HA       SER 113 -11.225  -2.324  -2.324
  837   1HB   SER 113          2HB       SER 113 -11.516  -4.429  -4.429
  838   2HB   SER 113          1HB       SER 113 -11.838  -3.406  -3.406
  839    HG   SER 113           HG       SER 113 -13.477  -2.385  -2.385
  840    H    VAL 114           H        VAL 114 -10.011  -1.075  -1.075
  841    HA   VAL 114           HA       VAL 114 -12.130   0.789   0.789
  842    HB   VAL 114           HB       VAL 114  -9.472   0.058   0.058
  843   1HG1  VAL 114          2HG2      VAL 114 -10.554   2.811   2.811
  844   2HG1  VAL 114          1HG2      VAL 114  -9.264   1.964   1.964
  845   3HG1  VAL 114          3HG2      VAL 114  -8.998   2.404   2.404
  846   1HG2  VAL 114          1HG1      VAL 114 -11.592  -0.823  -0.823
  847   2HG2  VAL 114          3HG1      VAL 114 -10.692   0.108   0.108
  848   3HG2  VAL 114          2HG1      VAL 114 -12.098   0.833   0.833
  849    H    VAL 115           H        VAL 115  -9.009   1.042   1.042
  850    HA   VAL 115           HA       VAL 115  -9.161   3.900   3.900
  851    HB   VAL 115           HB       VAL 115  -7.093   2.826   2.826
  852   1HG1  VAL 115          3HG2      VAL 115  -7.731   1.491   1.491
  853   2HG1  VAL 115          2HG2      VAL 115  -6.107   1.666   1.666
  854   3HG1  VAL 115          1HG2      VAL 115  -7.329   0.761   0.761
  855   1HG2  VAL 115          2HG1      VAL 115  -7.319   5.030   5.030
  856   2HG2  VAL 115          1HG1      VAL 115  -5.954   4.075   4.075
  857   3HG2  VAL 115          3HG1      VAL 115  -7.436   4.195   4.195
  858    H    LYS 116           HN       LYS 116 -11.299   4.280   4.280
  859    HA   LYS 116           HA       LYS 116 -11.418   4.815   4.815
  860   1HB   LYS 116          1HB       LYS 116 -13.679   4.146   4.146
  861   2HB   LYS 116          2HB       LYS 116 -12.766   2.713   2.713
  862   1HG   LYS 116          2HG       LYS 116 -14.218   4.315   4.315
  863   2HG   LYS 116          1HG       LYS 116 -15.161   3.312   3.312
  864   1HD   LYS 116          2HD       LYS 116 -14.197   1.298   1.298
  865   2HD   LYS 116          1HD       LYS 116 -12.773   2.107   2.107
  866   1HE   LYS 116          2HE       LYS 116 -14.218   1.349   1.349
  867   2HE   LYS 116          1HE       LYS 116 -14.066   3.113   3.113
  868   1HZ   LYS 116          3HZ       LYS 116 -16.329   1.581   1.581
  869   2HZ   LYS 116          2HZ       LYS 116 -16.321   2.402   2.402
  870   3HZ   LYS 116          1HZ       LYS 116 -16.194   3.225   3.225
  871    HHA  HEC 117           HHA      HEM 117   3.031   2.713   2.713
  872    HHB  HEC 117           HHB      HEM 117  -0.713  -1.814  -1.814
  873    HHC  HEC 117           HHC      HEM 117  -2.731  -3.360  -3.360
  874    HHD  HEC 117           HHD      HEM 117   1.569   0.718   0.718
  875   1HMA  HEC 117          1HMA      HEM 117   1.487   0.441   0.441
  876   2HMA  HEC 117          2HMA      HEM 117   1.419  -1.266  -1.266
  877   3HMA  HEC 117          3HMA      HEM 117  -0.066  -0.286  -0.286
  878   1HAA  HEC 117          1HAA      HEM 117   3.105   1.686   1.686
  879   2HAA  HEC 117          2HAA      HEM 117   3.531   2.536   2.536
  880   1HBA  HEC 117          1HBA      HEM 117   0.972   2.924   2.924
  881   2HBA  HEC 117          2HBA      HEM 117   1.313   3.734   3.734
  882   1HMB  HEC 117          1HMB      HEM 117  -2.256  -3.525  -3.525
  883   2HMB  HEC 117          2HMB      HEM 117  -3.523  -2.313  -2.313
  884   3HMB  HEC 117          3HMB      HEM 117  -3.707  -3.983  -3.983
  885    HAB  HEC 117           HAB      HEM 117  -4.402  -2.472  -2.472
  886   1HBB  HEC 117          1HBB      HEM 117  -6.232  -2.064  -2.064
  887   2HBB  HEC 117          2HBB      HEM 117  -4.873  -1.269  -1.269
  888   3HBB  HEC 117          3HBB      HEM 117  -5.465  -2.839  -2.839
  889   1HMC  HEC 117          1HMC      HEM 117  -2.456  -3.922  -3.922
  890   2HMC  HEC 117          2HMC      HEM 117  -3.268  -2.442  -2.442
  891   3HMC  HEC 117          3HMC      HEM 117  -2.024  -3.194  -3.194
  892    HAC  HEC 117           HAC      HEM 117   0.059   0.313   0.313
  893   1HBC  HEC 117          1HBC      HEM 117  -0.055  -0.955  -0.955
  894   2HBC  HEC 117          2HBC      HEM 117   0.974  -1.839  -1.839
  895   3HBC  HEC 117          3HBC      HEM 117  -0.689  -2.379  -2.379
  896   1HMD  HEC 117          1HMD      HEM 117   4.096   3.392   3.392
  897   2HMD  HEC 117          2HMD      HEM 117   2.410   3.442   3.442
  898   3HMD  HEC 117          3HMD      HEM 117   3.409   2.001   2.001
  899   1HAD  HEC 117          1HAD      HEM 117   3.728   4.285   4.285
  900   2HAD  HEC 117          2HAD      HEM 117   4.030   4.484   4.484
  901   1HBD  HEC 117          1HBD      HEM 117   5.555   2.731   2.731
  902   2HBD  HEC 117          2HBD      HEM 117   5.609   2.452   2.452

  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -4.950 -12.938 -12.938
    2   2H    GLY   1          2H        GLY   1  -6.171 -12.827 -12.827
    3   1HA   GLY   1          1HA       GLY   1  -6.139 -10.796 -10.796
    4   2HA   GLY   1          2HA       GLY   1  -6.328 -11.887 -11.887
    5    H    ASP   2           HN       ASP   2  -7.992 -12.904 -12.904
    6    HA   ASP   2           HA       ASP   2 -10.594 -12.564 -12.564
    7   1HB   ASP   2          1HB       ASP   2 -10.017 -14.634 -14.634
    8   2HB   ASP   2          2HB       ASP   2  -9.891 -13.729 -13.729
    9    H    ALA   3           H        ALA   3 -10.685 -10.300 -10.300
   10    HA   ALA   3           HA       ALA   3 -10.370  -8.409  -8.409
   11   1HB   ALA   3          2HB       ALA   3 -11.036  -7.934  -7.934
   12   2HB   ALA   3          1HB       ALA   3 -12.671  -8.562  -8.562
   13   3HB   ALA   3          3HB       ALA   3 -12.109  -7.088  -7.088
   14    H    ALA   4           H        ALA   4 -13.101 -10.726 -10.726
   15    HA   ALA   4           HA       ALA   4 -14.663  -9.242  -9.242
   16   1HB   ALA   4          2HB       ALA   4 -15.671 -10.913 -10.913
   17   2HB   ALA   4          1HB       ALA   4 -14.800 -12.208 -12.208
   18   3HB   ALA   4          3HB       ALA   4 -16.005 -11.239 -11.239
   19    H    LYS   5           HN       LYS   5 -12.354 -12.014 -12.014
   20    HA   LYS   5           HA       LYS   5 -12.415 -12.202 -12.202
   21   1HB   LYS   5          1HB       LYS   5 -10.276 -13.001 -13.001
   22   2HB   LYS   5          2HB       LYS   5 -10.222 -13.360 -13.360
   23   1HG   LYS   5          1HG       LYS   5 -12.323 -14.629 -14.629
   24   2HG   LYS   5          2HG       LYS   5 -12.453 -14.276 -14.276
   25   1HD   LYS   5          1HD       LYS   5 -10.281 -15.447 -15.447
   26   2HD   LYS   5          2HD       LYS   5 -10.189 -15.831 -15.831
   27   1HE   LYS   5          1HE       LYS   5 -12.303 -17.126 -17.126
   28   2HE   LYS   5          2HE       LYS   5 -12.432 -16.698 -16.698
   29   1HZ   LYS   5          3HZ       LYS   5 -10.392 -17.854 -17.854
   30   2HZ   LYS   5          1HZ       LYS   5 -10.260 -18.260 -18.260
   31   3HZ   LYS   5          2HZ       LYS   5 -11.502 -18.858 -18.858
   32    H    GLY   6           H        GLY   6 -10.596 -10.273 -10.273
   33   1HA   GLY   6          1HA       GLY   6  -8.738  -8.981  -8.981
   34   2HA   GLY   6          2HA       GLY   6  -9.508  -8.267  -8.267
   35    H    GLU   7           HN       GLU   7 -12.079  -7.934  -7.934
   36    HA   GLU   7           HA       GLU   7 -12.286  -5.717  -5.717
   37   1HB   GLU   7          2HB       GLU   7 -13.905  -6.292  -6.292
   38   2HB   GLU   7          1HB       GLU   7 -14.473  -7.679  -7.679
   39   1HG   GLU   7          2HG       GLU   7 -14.610  -4.839  -4.839
   40   2HG   GLU   7          1HG       GLU   7 -15.883  -5.551  -5.551
   41    H    LYS   8           HN       LYS   8 -13.267  -9.122  -9.122
   42    HA   LYS   8           HA       LYS   8 -14.150  -8.758  -8.758
   43   1HB   LYS   8          2HB       LYS   8 -12.794 -11.173 -11.173
   44   2HB   LYS   8          1HB       LYS   8 -13.586 -11.168 -11.168
   45   1HG   LYS   8          1HG       LYS   8 -15.725 -10.517 -10.517
   46   2HG   LYS   8          2HG       LYS   8 -14.978 -10.404 -10.404
   47   1HD   LYS   8          2HD       LYS   8 -14.376 -12.858 -12.858
   48   2HD   LYS   8          1HD       LYS   8 -15.221 -12.924 -12.924
   49   1HE   LYS   8          1HE       LYS   8 -16.696 -13.755 -13.755
   50   2HE   LYS   8          2HE       LYS   8 -17.337 -12.218 -12.218
   51   1HZ   LYS   8          2HZ       LYS   8 -15.744 -12.564 -12.564
   52   2HZ   LYS   8          3HZ       LYS   8 -17.379 -12.358 -12.358
   53   3HZ   LYS   8          1HZ       LYS   8 -16.376 -11.143 -11.143
   54    H    GLU   9           HN       GLU   9 -10.856  -9.723  -9.723
   55    HA   GLU   9           HA       GLU   9  -9.609  -9.690  -9.690
   56   1HB   GLU   9          1HB       GLU   9  -8.574 -10.676 -10.676
   57   2HB   GLU   9          2HB       GLU   9  -8.525  -9.119  -9.119
   58   1HG   GLU   9          2HG       GLU   9  -6.316  -9.804  -9.804
   59   2HG   GLU   9          1HG       GLU   9  -6.858  -8.251  -8.251
   60    H    PHE  10           H        PHE  10 -10.173  -7.052  -7.052
   61    HA   PHE  10           HA       PHE  10  -8.651  -5.112  -5.112
   62   1HB   PHE  10          1HB       PHE  10 -10.153  -5.118  -5.118
   63   2HB   PHE  10          2HB       PHE  10 -11.248  -4.232  -4.232
   64    HD1  PHE  10           HD1      PHE  10 -10.278  -2.062  -2.062
   65    HD2  PHE  10           HD2      PHE  10  -8.240  -4.187  -4.187
   66    HE1  PHE  10           HE1      PHE  10  -8.716  -0.140  -0.140
   67    HE2  PHE  10           HE2      PHE  10  -6.770  -2.216  -2.216
   68    HZ   PHE  10           HZ       PHE  10  -7.052  -0.174  -0.174
   69    H    ASN  11           H        ASN  11 -11.688  -6.426  -6.426
   70    HA   ASN  11           HA       ASN  11 -12.460  -4.185  -4.185
   71   1HB   ASN  11          1HB       ASN  11 -12.989  -7.153  -7.153
   72   2HB   ASN  11          2HB       ASN  11 -13.638  -5.864  -5.864
   73   1HD2  ASN  11          2HD2      ASN  11 -15.010  -6.162  -6.162
   74   2HD2  ASN  11          1HD2      ASN  11 -13.529  -6.970  -6.970
   75    H    LYS  12           HN       LYS  12  -9.918  -6.625  -6.625
   76    HA   LYS  12           HA       LYS  12  -9.350  -5.635  -5.635
   77   1HB   LYS  12          1HB       LYS  12  -8.193  -7.888  -7.888
   78   2HB   LYS  12          2HB       LYS  12  -7.657  -7.464  -7.464
   79   1HG   LYS  12          1HG       LYS  12  -9.481  -8.290  -8.290
   80   2HG   LYS  12          2HG       LYS  12 -10.612  -7.876  -7.876
   81   1HD   LYS  12          2HD       LYS  12  -8.632 -10.205 -10.205
   82   2HD   LYS  12          1HD       LYS  12 -10.351 -10.333 -10.333
   83   1HE   LYS  12          2HE       LYS  12  -9.151  -9.525  -9.525
   84   2HE   LYS  12          1HE       LYS  12 -10.027 -10.998 -10.998
   85   1HZ   LYS  12          1HZ       LYS  12 -11.165  -8.301  -8.301
   86   2HZ   LYS  12          2HZ       LYS  12 -11.409  -9.392  -9.392
   87   3HZ   LYS  12          3HZ       LYS  12 -11.980  -9.697  -9.697
   88    H    CYS  13           H        CYS  13  -7.858  -5.994  -5.994
   89    HA   CYS  13           HA       CYS  13  -5.284  -4.832  -4.832
   90   1HB   CYS  13          2HB       CYS  13  -6.237  -6.209  -6.209
   91   2HB   CYS  13          1HB       CYS  13  -6.744  -4.632  -4.632
   92    H    LYS  14           HN       LYS  14  -8.391  -3.317  -3.317
   93    HA   LYS  14           HA       LYS  14  -7.912  -0.674  -0.674
   94   1HB   LYS  14          1HB       LYS  14 -10.175  -1.436  -1.436
   95   2HB   LYS  14          2HB       LYS  14  -9.912  -2.313  -2.313
   96   1HG   LYS  14          2HG       LYS  14  -9.941  -0.234  -0.234
   97   2HG   LYS  14          1HG       LYS  14 -10.201   0.689   0.689
   98   1HD   LYS  14          2HD       LYS  14 -12.293  -0.805  -0.805
   99   2HD   LYS  14          1HD       LYS  14 -11.992  -1.460  -1.460
  100   1HE   LYS  14          2HE       LYS  14 -12.463   1.494   1.494
  101   2HE   LYS  14          1HE       LYS  14 -13.686   0.384   0.384
  102   1HZ   LYS  14          2HZ       LYS  14 -11.174   1.052   1.052
  103   2HZ   LYS  14          3HZ       LYS  14 -12.622   1.751   1.751
  104   3HZ   LYS  14          1HZ       LYS  14 -12.404   0.137   0.137
  105    H    THR  15           H        THR  15  -7.360  -2.321  -2.321
  106    HA   THR  15           HA       THR  15  -7.839  -0.629  -0.629
  107    HB   THR  15           HB       THR  15  -5.319  -2.283  -2.283
  108    HG1  THR  15           HG1      THR  15  -7.190  -3.501  -3.501
  109   1HG2  THR  15          2HG2      THR  15  -6.437  -1.037  -1.037
  110   2HG2  THR  15          1HG2      THR  15  -5.191  -2.300  -2.300
  111   3HG2  THR  15          3HG2      THR  15  -4.848  -0.700  -0.700
  112    H    CYS  16           H        CYS  16  -5.075  -0.203  -0.203
  113    HA   CYS  16           HA       CYS  16  -4.279   2.264   2.264
  114   1HB   CYS  16          1HB       CYS  16  -2.772   0.547   0.547
  115   2HB   CYS  16          2HB       CYS  16  -2.144   2.033   2.033
  116    H    HIS  17           HN       HIS  17  -5.723   1.196   1.196
  117    HA   HIS  17           HA       HIS  17  -4.739   3.700   3.700
  118   1HB   HIS  17          2HB       HIS  17  -5.501   1.004   1.004
  119   2HB   HIS  17          1HB       HIS  17  -5.316   2.409   2.409
  120    HD1  HIS  17           HD1      HIS  17  -3.080   3.513   3.513
  121    HD2  HIS  17           HD2      HIS  17  -2.822   0.096   0.096
  122    HE1  HIS  17           HE1      HIS  17  -0.678   2.743   2.743
  123    H    SER  18           H        SER  18  -6.426   3.896   3.896
  124    HA   SER  18           HA       SER  18  -9.195   3.889   3.889
  125   1HB   SER  18          1HB       SER  18  -7.596   6.489   6.489
  126   2HB   SER  18          2HB       SER  18  -9.349   6.428   6.428
  127    HG   SER  18           HG       SER  18  -8.023   5.264   5.264
  128    H    ILE  19           H        ILE  19 -10.530   4.802   4.802
  129    HA   ILE  19           HA       ILE  19  -9.254   5.030   5.030
  130    HB   ILE  19           HB       ILE  19 -11.211   2.870   2.870
  131   1HG1  ILE  19          1HG1      ILE  19  -8.914   2.885   2.885
  132   2HG1  ILE  19          2HG1      ILE  19  -8.686   2.519   2.519
  133   1HG2  ILE  19          1HG2      ILE  19 -11.033   4.258   4.258
  134   2HG2  ILE  19          3HG2      ILE  19 -11.704   2.627   2.627
  135   3HG2  ILE  19          2HG2      ILE  19 -12.473   3.985   3.985
  136   1HD1  ILE  19          3HD1      ILE  19 -10.308   0.639   0.639
  137   2HD1  ILE  19          1HD1      ILE  19 -10.396   0.902   0.902
  138   3HD1  ILE  19          2HD1      ILE  19  -8.866   0.447   0.447
  139    H    ILE  20           H        ILE  20 -10.051   6.762   6.762
  140    HA   ILE  20           HA       ILE  20 -12.617   7.947   7.947
  141    HB   ILE  20           HB       ILE  20 -10.354   9.201   9.201
  142   1HG1  ILE  20          1HG1      ILE  20 -11.266  11.380  11.380
  143   2HG1  ILE  20          2HG1      ILE  20 -12.653  10.529  10.529
  144   1HG2  ILE  20          2HG2      ILE  20  -9.457   8.653   8.653
  145   2HG2  ILE  20          3HG2      ILE  20 -10.670   9.767   9.767
  146   3HG2  ILE  20          1HG2      ILE  20  -9.431  10.371  10.371
  147   1HD1  ILE  20          3HD1      ILE  20 -11.820  10.073  10.073
  148   2HD1  ILE  20          1HD1      ILE  20 -12.822  11.461  11.461
  149   3HD1  ILE  20          2HD1      ILE  20 -13.399   9.820   9.820
  150    H    ALA  21           H        ALA  21 -14.274   8.167   8.167
  151    HA   ALA  21           HA       ALA  21 -13.713   6.999   6.999
  152   1HB   ALA  21          2HB       ALA  21 -16.184   8.340   8.340
  153   2HB   ALA  21          3HB       ALA  21 -16.078   7.648   7.648
  154   3HB   ALA  21          1HB       ALA  21 -15.885   6.598   6.598
  155    HA   PRO  22           HA       PRO  22 -12.354  10.668  10.668
  156   1HB   PRO  22          1HB       PRO  22 -14.730  10.465  10.465
  157   2HB   PRO  22          2HB       PRO  22 -13.015  10.765  10.765
  158   1HG   PRO  22          1HG       PRO  22 -14.022   8.278   8.278
  159   2HG   PRO  22          2HG       PRO  22 -12.444   8.482   8.482
  160   1HD   PRO  22          1HD       PRO  22 -15.163   8.109   8.109
  161   2HD   PRO  22          2HD       PRO  22 -13.640   7.256   7.256
  162    H    ASP  23           HN       ASP  23 -15.858  10.566  10.566
  163    HA   ASP  23           HA       ASP  23 -16.340  13.386  13.386
  164   1HB   ASP  23          1HB       ASP  23 -18.543  12.638  12.638
  165   2HB   ASP  23          2HB       ASP  23 -18.103  11.826  11.826
  166    H    GLY  24           H        GLY  24 -14.671  11.564  11.564
  167   1HA   GLY  24          1HA       GLY  24 -13.774  12.577  12.577
  168   2HA   GLY  24          2HA       GLY  24 -15.095  13.732  13.732
  169    H    THR  25           H        THR  25 -16.729  10.834  10.834
  170    HA   THR  25           HA       THR  25 -17.433  10.711  10.711
  171    HB   THR  25           HB       THR  25 -18.013   8.682   8.682
  172    HG1  THR  25           HG1      THR  25 -18.814  10.657  10.657
  173   1HG2  THR  25          3HG2      THR  25 -19.422   9.300   9.300
  174   2HG2  THR  25          2HG2      THR  25 -19.972   8.150   8.150
  175   3HG2  THR  25          1HG2      THR  25 -18.478   7.832   7.832
  176    H    GLU  26           HN       GLU  26 -16.384   9.668   9.668
  177    HA   GLU  26           HA       GLU  26 -14.029   8.036   8.036
  178   1HB   GLU  26          2HB       GLU  26 -15.516   8.464   8.464
  179   2HB   GLU  26          1HB       GLU  26 -13.831   7.975   7.975
  180   1HG   GLU  26          1HG       GLU  26 -13.511  10.275  10.275
  181   2HG   GLU  26          2HG       GLU  26 -15.093  10.714  10.714
  182    H    ILE  27           H        ILE  27 -14.562   6.074   6.074
  183    HA   ILE  27           HA       ILE  27 -16.810   4.453   4.453
  184    HB   ILE  27           HB       ILE  27 -14.555   3.954   3.954
  185   1HG1  ILE  27          1HG1      ILE  27 -16.388   3.747   3.747
  186   2HG1  ILE  27          2HG1      ILE  27 -17.603   3.898   3.898
  187   1HG2  ILE  27          2HG2      ILE  27 -16.759   2.008   2.008
  188   2HG2  ILE  27          1HG2      ILE  27 -15.673   1.783   1.783
  189   3HG2  ILE  27          3HG2      ILE  27 -15.027   1.769   1.769
  190   1HD1  ILE  27          2HD1      ILE  27 -15.666   6.087   6.087
  191   2HD1  ILE  27          3HD1      ILE  27 -17.338   5.934   5.934
  192   3HD1  ILE  27          1HD1      ILE  27 -17.063   6.227   6.227
  193    H    VAL  28           H        VAL  28 -13.234   4.466   4.466
  194    HA   VAL  28           HA       VAL  28 -13.585   2.581   2.581
  195    HB   VAL  28           HB       VAL  28 -11.117   2.657   2.657
  196   1HG1  VAL  28          3HG2      VAL  28 -11.984   0.916   0.916
  197   2HG1  VAL  28          1HG2      VAL  28 -10.539   0.649   0.649
  198   3HG1  VAL  28          2HG2      VAL  28 -10.656   2.100   2.100
  199   1HG2  VAL  28          1HG1      VAL  28 -13.403   0.636   0.636
  200   2HG2  VAL  28          2HG1      VAL  28 -12.893   1.571   1.571
  201   3HG2  VAL  28          3HG1      VAL  28 -11.832   0.324   0.324
  202    H    LYS  29           HN       LYS  29 -13.107   3.439   3.439
  203    HA   LYS  29           HA       LYS  29 -11.228   5.744   5.744
  204   1HB   LYS  29          1HB       LYS  29 -13.806   5.090   5.090
  205   2HB   LYS  29          2HB       LYS  29 -12.639   6.347   6.347
  206   1HG   LYS  29          2HG       LYS  29 -13.061   7.523   7.523
  207   2HG   LYS  29          1HG       LYS  29 -14.162   6.237   6.237
  208   1HD   LYS  29          1HD       LYS  29 -15.424   8.170   8.170
  209   2HD   LYS  29          2HD       LYS  29 -15.716   6.703   6.703
  210   1HE   LYS  29          1HE       LYS  29 -15.480   8.746   8.746
  211   2HE   LYS  29          2HE       LYS  29 -14.299   7.507   7.507
  212   1HZ   LYS  29          2HZ       LYS  29 -13.799   9.843   9.843
  213   2HZ   LYS  29          1HZ       LYS  29 -13.331   9.689   9.689
  214   3HZ   LYS  29          3HZ       LYS  29 -12.681   8.707   8.707
  215    H    GLY  30           H        GLY  30  -9.443   4.166   4.166
  216   1HA   GLY  30          1HA       GLY  30  -9.725   2.517   2.517
  217   2HA   GLY  30          2HA       GLY  30  -8.310   2.643   2.643
  218    H    ALA  31           H        ALA  31  -7.306   3.004   3.004
  219    HA   ALA  31           HA       ALA  31  -7.737   5.681   5.681
  220   1HB   ALA  31          3HB       ALA  31  -7.328   3.691   3.691
  221   2HB   ALA  31          2HB       ALA  31  -5.715   3.512   3.512
  222   3HB   ALA  31          1HB       ALA  31  -6.102   4.949   4.949
  223    H    LYS  32           HN       LYS  32  -7.059   5.973   5.973
  224    HA   LYS  32           HA       LYS  32  -5.264   6.328   6.328
  225   1HB   LYS  32          2HB       LYS  32  -6.058   8.754   8.754
  226   2HB   LYS  32          1HB       LYS  32  -5.159   8.861   8.861
  227   1HG   LYS  32          2HG       LYS  32  -6.911   7.740   7.740
  228   2HG   LYS  32          1HG       LYS  32  -7.853   7.459   7.459
  229   1HD   LYS  32          2HD       LYS  32  -8.224   9.826   9.826
  230   2HD   LYS  32          1HD       LYS  32  -7.097  10.240  10.240
  231   1HE   LYS  32          1HE       LYS  32  -9.485  10.431  10.431
  232   2HE   LYS  32          2HE       LYS  32  -8.568   9.289   9.289
  233   1HZ   LYS  32          1HZ       LYS  32 -10.284   8.501   8.501
  234   2HZ   LYS  32          3HZ       LYS  32 -10.751   8.507   8.507
  235   3HZ   LYS  32          2HZ       LYS  32  -9.538   7.501   7.501
  236    H    THR  33           H        THR  33  -3.720   4.912   4.912
  237    HA   THR  33           HA       THR  33  -1.452   6.444   6.444
  238    HB   THR  33           HB       THR  33  -1.337   3.484   3.484
  239    HG1  THR  33           HG1      THR  33  -3.352   4.819   4.819
  240   1HG2  THR  33          1HG2      THR  33   0.339   4.801   4.801
  241   2HG2  THR  33          3HG2      THR  33  -0.945   5.385   5.385
  242   3HG2  THR  33          2HG2      THR  33  -0.535   3.658   3.658
  243    H    GLY  34           H        GLY  34  -2.469   4.556   4.556
  244   1HA   GLY  34          1HA       GLY  34   0.193   4.978   4.978
  245   2HA   GLY  34          2HA       GLY  34  -0.938   3.671   3.671
  246    HA   PRO  35           HA       PRO  35  -1.728   7.764   7.764
  247   1HB   PRO  35          2HB       PRO  35  -0.829   6.934   6.934
  248   2HB   PRO  35          1HB       PRO  35   0.231   7.700   7.700
  249   1HG   PRO  35          1HG       PRO  35  -0.164   4.734   4.734
  250   2HG   PRO  35          2HG       PRO  35   1.374   5.636   5.636
  251   1HD   PRO  35          2HD       PRO  35   0.497   4.371   4.371
  252   2HD   PRO  35          1HD       PRO  35   1.119   6.025   6.025
  253    H    ASN  36           H        ASN  36  -3.738   7.961   7.961
  254    HA   ASN  36           HA       ASN  36  -5.502   5.833   5.833
  255   1HB   ASN  36          1HB       ASN  36  -6.115   8.231   8.231
  256   2HB   ASN  36          2HB       ASN  36  -5.582   8.425   8.425
  257   1HD2  ASN  36          2HD2      ASN  36  -9.241   7.682   7.682
  258   2HD2  ASN  36          1HD2      ASN  36  -8.295   8.473   8.473
  259    H    LEU  37           H        LEU  37  -5.586   4.189   4.189
  260    HA   LEU  37           HA       LEU  37  -3.593   3.995   3.995
  261   1HB   LEU  37          2HB       LEU  37  -5.631   1.971   1.971
  262   2HB   LEU  37          1HB       LEU  37  -4.322   1.642   1.642
  263    HG   LEU  37           HG       LEU  37  -3.979   2.506   2.506
  264   1HD1  LEU  37          1HD1      LEU  37  -4.769   0.178   0.178
  265   2HD1  LEU  37          2HD1      LEU  37  -3.359  -0.142  -0.142
  266   3HD1  LEU  37          3HD1      LEU  37  -3.141   0.246   0.246
  267   1HD2  LEU  37          1HD2      LEU  37  -1.924   1.883   1.883
  268   2HD2  LEU  37          2HD2      LEU  37  -2.060   3.376   3.376
  269   3HD2  LEU  37          3HD2      LEU  37  -1.536   1.876   1.876
  270    H    TYR  38           H        TYR  38  -6.690   5.328   5.328
  271    HA   TYR  38           HA       TYR  38  -7.647   4.082   4.082
  272   1HB   TYR  38          1HB       TYR  38  -8.984   5.460   5.460
  273   2HB   TYR  38          2HB       TYR  38  -8.169   6.908   6.908
  274    HD1  TYR  38           HD2      TYR  38 -10.244   3.972   3.972
  275    HD2  TYR  38           HD1      TYR  38  -8.891   7.912   7.912
  276    HE1  TYR  38           HE2      TYR  38 -11.878   4.025   4.025
  277    HE2  TYR  38           HE1      TYR  38 -10.228   7.779   7.779
  278    HH   TYR  38           HH       TYR  38 -11.620   6.327   6.327
  279    H    GLY  39           H        GLY  39  -5.736   3.886   3.886
  280   1HA   GLY  39          1HA       GLY  39  -5.300   4.649   4.649
  281   2HA   GLY  39          2HA       GLY  39  -5.089   6.281   6.281
  282    H    VAL  40           H        VAL  40  -3.817   3.634   3.634
  283    HA   VAL  40           HA       VAL  40  -1.167   4.628   4.628
  284    HB   VAL  40           HB       VAL  40  -1.641   3.443   3.443
  285   1HG1  VAL  40          2HG1      VAL  40  -1.978   0.907   0.907
  286   2HG1  VAL  40          3HG1      VAL  40  -1.897   0.998   0.998
  287   3HG1  VAL  40          1HG1      VAL  40  -3.266   1.722   1.722
  288   1HG2  VAL  40          2HG2      VAL  40   0.675   3.399   3.399
  289   2HG2  VAL  40          3HG2      VAL  40   0.343   2.020   2.020
  290   3HG2  VAL  40          1HG2      VAL  40   0.321   1.799   1.799
  291    H    VAL  41           H        VAL  41  -2.872   1.823   1.823
  292    HA   VAL  41           HA       VAL  41  -0.542   0.985   0.985
  293    HB   VAL  41           HB       VAL  41  -2.594  -0.378  -0.378
  294   1HG1  VAL  41          1HG1      VAL  41  -4.276   1.277   1.277
  295   2HG1  VAL  41          3HG1      VAL  41  -3.632   1.011   1.011
  296   3HG1  VAL  41          2HG1      VAL  41  -4.371  -0.331  -0.331
  297   1HG2  VAL  41          1HG2      VAL  41  -0.753  -1.058  -1.058
  298   2HG2  VAL  41          2HG2      VAL  41  -2.304  -1.617  -1.617
  299   3HG2  VAL  41          3HG2      VAL  41  -1.480  -0.223  -0.223
  300    H    GLY  42           H        GLY  42   0.563   1.938   1.938
  301   1HA   GLY  42          1HA       GLY  42   0.877   2.975   2.975
  302   2HA   GLY  42          2HA       GLY  42  -0.620   3.894   3.894
  303    H    ARG  43           HN       ARG  43   0.169   4.405   4.405
  304    HA   ARG  43           HA       ARG  43   1.535   6.912   6.912
  305   1HB   ARG  43          2HB       ARG  43  -0.374   6.593   6.593
  306   2HB   ARG  43          1HB       ARG  43   0.743   5.677   5.677
  307   1HG   ARG  43          2HG       ARG  43   0.560   7.881   7.881
  308   2HG   ARG  43          1HG       ARG  43   2.184   7.720   7.720
  309   1HD   ARG  43          2HD       ARG  43   1.457   8.976   8.976
  310   2HD   ARG  43          1HD       ARG  43  -0.196   9.050   9.050
  311    HE   ARG  43           HE       ARG  43   1.695  10.126  10.126
  312   1HH1  ARG  43          2HH2      ARG  43   0.253  10.921  10.921
  313   2HH1  ARG  43          1HH2      ARG  43   0.418  12.643  12.643
  314   1HH2  ARG  43          1HH1      ARG  43   1.843  12.298  12.298
  315   2HH2  ARG  43          2HH1      ARG  43   1.381  13.464  13.464
  316    H    THR  44           H        THR  44   3.559   7.533   7.533
  317    HA   THR  44           HA       THR  44   5.547   5.391   5.391
  318    HB   THR  44           HB       THR  44   5.807   8.371   8.371
  319    HG1  THR  44           HG1      THR  44   5.129   7.492   7.492
  320   1HG2  THR  44          2HG2      THR  44   7.909   6.213   6.213
  321   2HG2  THR  44          1HG2      THR  44   8.214   7.960   7.960
  322   3HG2  THR  44          3HG2      THR  44   7.718   7.174   7.174
  323    H    ALA  45           H        ALA  45   6.463   4.435   4.435
  324    HA   ALA  45           HA       ALA  45   5.067   4.525   4.525
  325   1HB   ALA  45          1HB       ALA  45   6.610   2.710   2.710
  326   2HB   ALA  45          3HB       ALA  45   7.995   3.813   3.813
  327   3HB   ALA  45          2HB       ALA  45   6.995   3.347   3.347
  328    H    GLY  46           H        GLY  46   5.405   5.593   5.593
  329   1HA   GLY  46          1HA       GLY  46   5.962   7.304   7.304
  330   2HA   GLY  46          2HA       GLY  46   7.453   7.490   7.490
  331    H    THR  47           H        THR  47   4.401   7.889   7.889
  332    HA   THR  47           HA       THR  47   4.612  10.856  10.856
  333    HB   THR  47           HB       THR  47   4.525  11.274  11.274
  334    HG1  THR  47           HG1      THR  47   4.415   8.465   8.465
  335   1HG2  THR  47          1HG2      THR  47   6.790  10.889  10.889
  336   2HG2  THR  47          3HG2      THR  47   6.707   9.196   9.196
  337   3HG2  THR  47          2HG2      THR  47   6.676  10.500  10.500
  338    H    TYR  48           H        TYR  48   2.324   8.407   8.407
  339    HA   TYR  48           HA       TYR  48   0.193   9.659   9.659
  340   1HB   TYR  48          2HB       TYR  48   0.048   7.343   7.343
  341   2HB   TYR  48          1HB       TYR  48  -0.123   7.935   7.935
  342    HD1  TYR  48           HD1      TYR  48  -2.108   9.306   9.306
  343    HD2  TYR  48           HD2      TYR  48  -1.856   7.403   7.403
  344    HE1  TYR  48           HE1      TYR  48  -4.494   9.781   9.781
  345    HE2  TYR  48           HE2      TYR  48  -4.236   7.853   7.853
  346    HH   TYR  48           HH       TYR  48  -6.233   8.433   8.433
  347    HA   PRO  49           HA       PRO  49   0.164  13.489  13.489
  348   1HB   PRO  49          2HB       PRO  49  -2.849  13.216  13.216
  349   2HB   PRO  49          1HB       PRO  49  -1.858  14.690  14.690
  350   1HG   PRO  49          1HG       PRO  49  -2.647  13.276  13.276
  351   2HG   PRO  49          2HG       PRO  49  -0.944  13.813  13.813
  352   1HD   PRO  49          1HD       PRO  49  -2.079  11.073  11.073
  353   2HD   PRO  49          2HD       PRO  49  -0.574  11.552  11.552
  354    H    GLU  50           HN       GLU  50  -0.264  14.581  14.581
  355    HA   GLU  50           HA       GLU  50  -0.331  14.800  14.800
  356   1HB   GLU  50          2HB       GLU  50  -3.039  13.453  13.453
  357   2HB   GLU  50          1HB       GLU  50  -2.540  14.659  14.659
  358   1HG   GLU  50          2HG       GLU  50  -3.001  15.062  15.062
  359   2HG   GLU  50          1HG       GLU  50  -3.900  15.771  15.771
  360    H    PHE  51           H        PHE  51   1.459  13.068  13.068
  361    HA   PHE  51           HA       PHE  51   0.845  11.579  11.579
  362   1HB   PHE  51          1HB       PHE  51  -0.001  10.036  10.036
  363   2HB   PHE  51          2HB       PHE  51   1.658   9.921   9.921
  364    HD1  PHE  51           HD2      PHE  51  -0.631   9.300   9.300
  365    HD2  PHE  51           HD1      PHE  51   3.365   8.729   8.729
  366    HE1  PHE  51           HE2      PHE  51  -0.118   7.825   7.825
  367    HE2  PHE  51           HE1      PHE  51   3.878   7.255   7.255
  368    HZ   PHE  51           HZ       PHE  51   2.092   6.707   6.707
  369    H    LYS  52           HN       LYS  52   2.547  11.792  11.792
  370    HA   LYS  52           HA       LYS  52   5.126  12.631  12.631
  371   1HB   LYS  52          2HB       LYS  52   4.225  13.481  13.481
  372   2HB   LYS  52          1HB       LYS  52   4.140  11.854  11.854
  373   1HG   LYS  52          1HG       LYS  52   6.027  13.119  13.119
  374   2HG   LYS  52          2HG       LYS  52   6.568  11.663  11.663
  375   1HD   LYS  52          2HD       LYS  52   7.183  13.001  13.001
  376   2HD   LYS  52          1HD       LYS  52   6.615  14.480  14.480
  377   1HE   LYS  52          2HE       LYS  52   8.886  12.649  12.649
  378   2HE   LYS  52          1HE       LYS  52   9.086  14.189  14.189
  379   1HZ   LYS  52          3HZ       LYS  52   8.014  15.277  15.277
  380   2HZ   LYS  52          2HZ       LYS  52   7.880  13.846  13.846
  381   3HZ   LYS  52          1HZ       LYS  52   9.367  14.469  14.469
  382    H    TYR  53           H        TYR  53   5.592  10.842  10.842
  383    HA   TYR  53           HA       TYR  53   5.958   8.159   8.159
  384   1HB   TYR  53          1HB       TYR  53   7.287   9.684   9.684
  385   2HB   TYR  53          2HB       TYR  53   7.308   7.928   7.928
  386    HD1  TYR  53           HD1      TYR  53   5.227   6.582   6.582
  387    HD2  TYR  53           HD2      TYR  53   5.405  10.728  10.728
  388    HE1  TYR  53           HE1      TYR  53   3.217   6.284   6.284
  389    HE2  TYR  53           HE2      TYR  53   3.265  10.477  10.477
  390    HH   TYR  53           HH       TYR  53   1.467   9.107   9.107
  391    H    LYS  54           HN       LYS  54   8.275   7.128   7.128
  392    HA   LYS  54           HA       LYS  54  10.278   8.622   8.622
  393   1HB   LYS  54          2HB       LYS  54  10.368   5.661   5.661
  394   2HB   LYS  54          1HB       LYS  54  11.126   6.696   6.696
  395   1HG   LYS  54          2HG       LYS  54   9.054   7.081   7.081
  396   2HG   LYS  54          1HG       LYS  54   8.143   6.185   6.185
  397   1HD   LYS  54          2HD       LYS  54   8.514   4.793   4.793
  398   2HD   LYS  54          1HD       LYS  54   9.315   4.105   4.105
  399   1HE   LYS  54          1HE       LYS  54  10.880   5.811   5.811
  400   2HE   LYS  54          2HE       LYS  54  10.523   4.110   4.110
  401   1HZ   LYS  54          3HZ       LYS  54  11.579   3.510   3.510
  402   2HZ   LYS  54          2HZ       LYS  54  12.019   5.070   5.070
  403   3HZ   LYS  54          1HZ       LYS  54  12.608   4.273   4.273
  404    H    ASP  55           HN       ASP  55  12.375   7.819   7.819
  405    HA   ASP  55           HA       ASP  55  13.534   8.558   8.558
  406   1HB   ASP  55          1HB       ASP  55  15.465   7.025   7.025
  407   2HB   ASP  55          2HB       ASP  55  14.989   8.501   8.501
  408    H    SER  56           H        SER  56  12.925   5.266   5.266
  409    HA   SER  56           HA       SER  56  14.351   3.964   3.964
  410   1HB   SER  56          2HB       SER  56  12.045   2.977   2.977
  411   2HB   SER  56          1HB       SER  56  13.166   1.950   1.950
  412    HG   SER  56           HG       SER  56  14.054   3.857   3.857
  413    H    ILE  57           H        ILE  57  10.871   4.521   4.521
  414    HA   ILE  57           HA       ILE  57  10.229   3.093   3.093
  415    HB   ILE  57           HB       ILE  57   8.967   3.524   3.524
  416   1HG1  ILE  57          2HG1      ILE  57   7.427   3.434   3.434
  417   2HG1  ILE  57          1HG1      ILE  57   8.310   2.059   2.059
  418   1HG2  ILE  57          2HG2      ILE  57   8.721   5.948   5.948
  419   2HG2  ILE  57          1HG2      ILE  57   7.736   5.751   5.751
  420   3HG2  ILE  57          3HG2      ILE  57   7.155   5.159   5.159
  421   1HD1  ILE  57          1HD1      ILE  57   6.902   2.160   2.160
  422   2HD1  ILE  57          2HD1      ILE  57   5.897   3.398   3.398
  423   3HD1  ILE  57          3HD1      ILE  57   6.019   1.768   1.768
  424    H    VAL  58           H        VAL  58  10.634   6.588   6.588
  425    HA   VAL  58           HA       VAL  58   9.779   7.473   7.473
  426    HB   VAL  58           HB       VAL  58  11.562   8.739   8.739
  427   1HG1  VAL  58          2HG1      VAL  58   9.954   9.852   9.852
  428   2HG1  VAL  58          3HG1      VAL  58  10.727  10.850  10.850
  429   3HG1  VAL  58          1HG1      VAL  58  11.733   9.865   9.865
  430   1HG2  VAL  58          2HG2      VAL  58   9.150   8.138   8.138
  431   2HG2  VAL  58          3HG2      VAL  58   9.551   9.859   9.859
  432   3HG2  VAL  58          1HG2      VAL  58   8.575   9.210   9.210
  433    H    ALA  59           H        ALA  59  12.959   6.574   6.574
  434    HA   ALA  59           HA       ALA  59  14.546   7.276   7.276
  435   1HB   ALA  59          2HB       ALA  59  14.957   5.000   5.000
  436   2HB   ALA  59          3HB       ALA  59  16.180   5.618   5.618
  437   3HB   ALA  59          1HB       ALA  59  15.553   6.671   6.671
  438    H    LEU  60           H        LEU  60  12.862   4.120   4.120
  439    HA   LEU  60           HA       LEU  60  13.706   2.949   2.949
  440   1HB   LEU  60          2HB       LEU  60  12.538   1.737   1.737
  441   2HB   LEU  60          1HB       LEU  60  11.043   2.566   2.566
  442    HG   LEU  60           HG       LEU  60  11.164   1.544   1.544
  443   1HD1  LEU  60          3HD2      LEU  60  13.427  -0.108  -0.108
  444   2HD1  LEU  60          1HD2      LEU  60  12.592  -0.445  -0.445
  445   3HD1  LEU  60          2HD2      LEU  60  13.564   1.016   1.016
  446   1HD2  LEU  60          1HD1      LEU  60   9.809   0.562   0.562
  447   2HD2  LEU  60          2HD1      LEU  60  10.367  -0.645  -0.645
  448   3HD2  LEU  60          3HD1      LEU  60  11.189  -0.486  -0.486
  449    H    GLY  61           H        GLY  61  10.821   4.854   4.854
  450   1HA   GLY  61          1HA       GLY  61   9.407   5.118   5.118
  451   2HA   GLY  61          2HA       GLY  61   9.650   6.410   6.410
  452    H    ALA  62           H        ALA  62  12.242   7.068   7.068
  453    HA   ALA  62           HA       ALA  62  12.375   8.859   8.859
  454   1HB   ALA  62          2HB       ALA  62  13.786   8.855   8.855
  455   2HB   ALA  62          1HB       ALA  62  14.795   7.585   7.585
  456   3HB   ALA  62          3HB       ALA  62  14.693   9.182   9.182
  457    H    SER  63           H        SER  63  13.254   5.408   5.408
  458    HA   SER  63           HA       SER  63  14.734   5.820   5.820
  459   1HB   SER  63          2HB       SER  63  14.724   3.416   3.416
  460   2HB   SER  63          1HB       SER  63  15.149   3.895   3.895
  461    HG   SER  63           HG       SER  63  13.012   3.389   3.389
  462    H    GLY  64           H        GLY  64  11.525   6.345   6.345
  463   1HA   GLY  64          1HA       GLY  64   9.802   6.819   6.819
  464   2HA   GLY  64          2HA       GLY  64  10.662   6.030   6.030
  465    H    PHE  65           H        PHE  65  10.140   4.759   4.759
  466    HA   PHE  65           HA       PHE  65   9.263   2.257   2.257
  467   1HB   PHE  65          1HB       PHE  65  10.723   2.086   2.086
  468   2HB   PHE  65          2HB       PHE  65   9.665   3.102   3.102
  469    HD1  PHE  65           HD2      PHE  65   8.836   0.157   0.157
  470    HD2  PHE  65           HD1      PHE  65   8.809   1.806   1.806
  471    HE1  PHE  65           HE2      PHE  65   7.016  -1.354  -1.354
  472    HE2  PHE  65           HE1      PHE  65   7.166   0.093   0.093
  473    HZ   PHE  65           HZ       PHE  65   6.228  -1.456  -1.456
  474    H    ALA  66           H        ALA  66   7.403   2.886   2.886
  475    HA   ALA  66           HA       ALA  66   5.014   3.837   3.837
  476   1HB   ALA  66          3HB       ALA  66   5.387   2.381   2.381
  477   2HB   ALA  66          1HB       ALA  66   3.910   3.206   3.206
  478   3HB   ALA  66          2HB       ALA  66   5.387   4.143   4.143
  479    H    TRP  67           H        TRP  67   3.758   2.681   2.681
  480    HA   TRP  67           HA       TRP  67   4.197  -0.093  -0.093
  481   1HB   TRP  67          2HB       TRP  67   1.994   1.891   1.891
  482   2HB   TRP  67          1HB       TRP  67   1.821   0.192   0.192
  483    HD1  TRP  67           HD1      TRP  67   2.966   3.267   3.267
  484    HE1  TRP  67           HE1      TRP  67   4.141   2.753   2.753
  485    HE3  TRP  67           HE3      TRP  67   3.700  -1.766  -1.766
  486    HZ2  TRP  67           HZ2      TRP  67   5.514   0.579   0.579
  487    HZ3  TRP  67           HZ3      TRP  67   5.033  -3.012  -3.012
  488    HH2  TRP  67           HH2      TRP  67   6.042  -1.848  -1.848
  489    H    THR  68           H        THR  68   3.582  -1.818  -1.818
  490    HA   THR  68           HA       THR  68   1.212  -1.644  -1.644
  491    HB   THR  68           HB       THR  68   1.954  -3.688  -3.688
  492    HG1  THR  68           HG1      THR  68   4.309  -3.789  -3.789
  493   1HG2  THR  68          2HG2      THR  68   3.026  -1.633  -1.633
  494   2HG2  THR  68          3HG2      THR  68   4.376  -1.857  -1.857
  495   3HG2  THR  68          1HG2      THR  68   4.082  -3.055  -3.055
  496    H    GLU  69           HN       GLU  69  -0.435  -3.342  -3.342
  497    HA   GLU  69           HA       GLU  69  -1.145  -4.002  -4.002
  498   1HB   GLU  69          2HB       GLU  69  -2.797  -5.449  -5.449
  499   2HB   GLU  69          1HB       GLU  69  -2.525  -4.074  -4.074
  500   1HG   GLU  69          2HG       GLU  69  -2.708  -5.796  -5.796
  501   2HG   GLU  69          1HG       GLU  69  -0.965  -5.579  -5.579
  502    H    GLU  70           HN       GLU  70   0.951  -5.726  -5.726
  503    HA   GLU  70           HA       GLU  70   1.310  -8.150  -8.150
  504   1HB   GLU  70          2HB       GLU  70   3.241  -6.776  -6.776
  505   2HB   GLU  70          1HB       GLU  70   3.305  -8.458  -8.458
  506   1HG   GLU  70          1HG       GLU  70   1.044  -8.839  -8.839
  507   2HG   GLU  70          2HG       GLU  70   1.071  -7.190  -7.190
  508    H    ASP  71           HN       ASP  71   3.241  -5.087  -5.087
  509    HA   ASP  71           HA       ASP  71   5.183  -5.928  -5.928
  510   1HB   ASP  71          1HB       ASP  71   4.208  -3.176  -3.176
  511   2HB   ASP  71          2HB       ASP  71   5.504  -3.482  -3.482
  512    H    ILE  72           H        ILE  72   2.082  -4.072  -4.072
  513    HA   ILE  72           HA       ILE  72   2.270  -3.693  -3.693
  514    HB   ILE  72           HB       ILE  72  -0.173  -4.144  -4.144
  515   1HG1  ILE  72          1HG1      ILE  72   1.100  -1.587  -1.587
  516   2HG1  ILE  72          2HG1      ILE  72   1.321  -2.182  -2.182
  517   1HG2  ILE  72          1HG2      ILE  72  -0.734  -4.564  -4.564
  518   2HG2  ILE  72          3HG2      ILE  72  -0.015  -3.002  -3.002
  519   3HG2  ILE  72          2HG2      ILE  72  -1.477  -3.086  -3.086
  520   1HD1  ILE  72          1HD1      ILE  72  -1.135  -2.077  -2.077
  521   2HD1  ILE  72          2HD1      ILE  72  -1.321  -1.281  -1.281
  522   3HD1  ILE  72          3HD1      ILE  72  -0.369  -0.509  -0.509
  523    H    ALA  73           H        ALA  73   0.740  -6.367  -6.367
  524    HA   ALA  73           HA       ALA  73  -0.095  -7.949  -7.949
  525   1HB   ALA  73          2HB       ALA  73  -0.599  -8.339  -8.339
  526   2HB   ALA  73          3HB       ALA  73   1.056  -8.914  -8.914
  527   3HB   ALA  73          1HB       ALA  73  -0.024  -9.816  -9.816
  528    H    THR  74           H        THR  74   3.099  -7.933  -7.933
  529    HA   THR  74           HA       THR  74   4.232 -10.013 -10.013
  530    HB   THR  74           HB       THR  74   5.664  -7.740  -7.740
  531    HG1  THR  74           HG1      THR  74   4.293  -8.795  -8.795
  532   1HG2  THR  74          3HG2      THR  74   6.516 -10.586 -10.586
  533   2HG2  THR  74          1HG2      THR  74   7.464  -9.435  -9.435
  534   3HG2  THR  74          2HG2      THR  74   7.140  -9.104  -9.104
  535    H    TYR  75           H        TYR  75   4.544  -6.440  -6.440
  536    HA   TYR  75           HA       TYR  75   6.170  -6.147  -6.147
  537   1HB   TYR  75          1HB       TYR  75   5.547  -4.279  -4.279
  538   2HB   TYR  75          2HB       TYR  75   3.829  -4.523  -4.523
  539    HD1  TYR  75           HD1      TYR  75   6.985  -3.671  -3.671
  540    HD2  TYR  75           HD2      TYR  75   2.713  -3.246  -3.246
  541    HE1  TYR  75           HE1      TYR  75   7.086  -1.906  -1.906
  542    HE2  TYR  75           HE2      TYR  75   2.811  -1.529  -1.529
  543    HH   TYR  75           HH       TYR  75   4.112  -0.571  -0.571
  544    H    VAL  76           H        VAL  76   2.567  -6.424  -6.424
  545    HA   VAL  76           HA       VAL  76   2.223  -6.242  -6.242
  546    HB   VAL  76           HB       VAL  76   0.711  -7.728  -7.728
  547   1HG1  VAL  76          1HG2      VAL  76  -0.081  -7.349  -7.349
  548   2HG1  VAL  76          2HG2      VAL  76  -1.217  -7.763  -7.763
  549   3HG1  VAL  76          3HG2      VAL  76   0.083  -8.885  -8.885
  550   1HG2  VAL  76          1HG1      VAL  76   0.800  -5.189  -5.189
  551   2HG2  VAL  76          3HG1      VAL  76  -0.828  -5.839  -5.839
  552   3HG2  VAL  76          2HG1      VAL  76   0.071  -5.187  -5.187
  553    H    LYS  77           HN       LYS  77   3.621  -9.010  -9.010
  554    HA   LYS  77           HA       LYS  77   3.175 -10.827 -10.827
  555   1HB   LYS  77          2HB       LYS  77   4.890 -11.227 -11.227
  556   2HB   LYS  77          1HB       LYS  77   4.367 -12.447 -12.447
  557   1HG   LYS  77          1HG       LYS  77   1.946 -11.787 -11.787
  558   2HG   LYS  77          2HG       LYS  77   2.628 -10.832 -10.832
  559   1HD   LYS  77          1HD       LYS  77   3.678 -12.890 -12.890
  560   2HD   LYS  77          2HD       LYS  77   2.987 -13.836 -13.836
  561   1HE   LYS  77          1HE       LYS  77   1.558 -14.102 -14.102
  562   2HE   LYS  77          2HE       LYS  77   0.684 -13.150 -13.150
  563   1HZ   LYS  77          2HZ       LYS  77   2.096 -12.091 -12.091
  564   2HZ   LYS  77          1HZ       LYS  77   0.466 -12.259 -12.259
  565   3HZ   LYS  77          3HZ       LYS  77   1.289 -11.173 -11.173
  566    H    ASP  78           HN       ASP  78   5.633  -8.471  -8.471
  567    HA   ASP  78           HA       ASP  78   6.944  -9.065  -9.065
  568   1HB   ASP  78          1HB       ASP  78   7.961 -10.733 -10.733
  569   2HB   ASP  78          2HB       ASP  78   8.866  -9.313  -9.313
  570    HA   PRO  79           HA       PRO  79   7.021  -4.736  -4.736
  571   1HB   PRO  79          1HB       PRO  79   6.080  -4.296  -4.296
  572   2HB   PRO  79          2HB       PRO  79   5.612  -3.394  -3.394
  573   1HG   PRO  79          2HG       PRO  79   3.922  -5.258  -5.258
  574   2HG   PRO  79          1HG       PRO  79   4.348  -5.266  -5.266
  575   1HD   PRO  79          2HD       PRO  79   5.619  -6.877  -6.877
  576   2HD   PRO  79          1HD       PRO  79   4.872  -7.490  -7.490
  577    H    GLY  80           H        GLY  80   8.710  -3.307  -3.307
  578   1HA   GLY  80          1HA       GLY  80  10.566  -2.294  -2.294
  579   2HA   GLY  80          2HA       GLY  80  10.470  -3.466  -3.466
  580    H    ALA  81           H        ALA  81  10.607  -5.863  -5.863
  581    HA   ALA  81           HA       ALA  81  13.219  -6.321  -6.321
  582   1HB   ALA  81          1HB       ALA  81  11.781  -8.045  -8.045
  583   2HB   ALA  81          3HB       ALA  81  10.810  -8.102  -8.102
  584   3HB   ALA  81          2HB       ALA  81  12.505  -8.613  -8.613
  585    H    PHE  82           H        PHE  82  10.098  -6.250  -6.250
  586    HA   PHE  82           HA       PHE  82  10.828  -6.553  -6.553
  587   1HB   PHE  82          2HB       PHE  82   8.513  -5.909  -5.909
  588   2HB   PHE  82          1HB       PHE  82   9.098  -4.263  -4.263
  589    HD1  PHE  82           HD2      PHE  82   8.777  -7.179  -7.179
  590    HD2  PHE  82           HD1      PHE  82   8.549  -2.895  -2.895
  591    HE1  PHE  82           HE2      PHE  82   7.959  -6.948  -6.948
  592    HE2  PHE  82           HE1      PHE  82   7.696  -2.686  -2.686
  593    HZ   PHE  82           HZ       PHE  82   7.349  -4.726  -4.726
  594    H    LEU  83           H        LEU  83  11.218  -3.535  -3.535
  595    HA   LEU  83           HA       LEU  83  12.126  -1.860  -1.860
  596   1HB   LEU  83          1HB       LEU  83  12.587  -1.480  -1.480
  597   2HB   LEU  83          2HB       LEU  83  12.680  -0.293  -0.293
  598    HG   LEU  83           HG       LEU  83  10.191  -1.702  -1.702
  599   1HD1  LEU  83          3HD1      LEU  83  11.108   1.208   1.208
  600   2HD1  LEU  83          1HD1      LEU  83   9.558   0.624   0.624
  601   3HD1  LEU  83          2HD1      LEU  83  11.072   0.117   0.117
  602   1HD2  LEU  83          3HD2      LEU  83  10.447   0.294   0.294
  603   2HD2  LEU  83          1HD2      LEU  83   9.964  -1.413  -1.413
  604   3HD2  LEU  83          2HD2      LEU  83   8.914  -0.286  -0.286
  605    H    LYS  84           HN       LYS  84  13.543  -3.344  -3.344
  606    HA   LYS  84           HA       LYS  84  16.259  -2.640  -2.640
  607   1HB   LYS  84          1HB       LYS  84  15.944  -3.310  -3.310
  608   2HB   LYS  84          2HB       LYS  84  14.755  -4.522  -4.522
  609   1HG   LYS  84          2HG       LYS  84  17.746  -4.905  -4.905
  610   2HG   LYS  84          1HG       LYS  84  16.888  -5.286  -5.286
  611   1HD   LYS  84          2HD       LYS  84  15.233  -6.597  -6.597
  612   2HD   LYS  84          1HD       LYS  84  16.650  -6.656  -6.656
  613   1HE   LYS  84          2HE       LYS  84  17.979  -7.726  -7.726
  614   2HE   LYS  84          1HE       LYS  84  16.582  -7.684  -7.684
  615   1HZ   LYS  84          2HZ       LYS  84  16.649  -9.080  -9.080
  616   2HZ   LYS  84          1HZ       LYS  84  16.825  -9.793  -9.793
  617   3HZ   LYS  84          3HZ       LYS  84  15.401  -9.070  -9.070
  618    H    GLU  85           HN       GLU  85  14.449  -5.422  -5.422
  619    HA   GLU  85           HA       GLU  85  16.740  -6.613  -6.613
  620   1HB   GLU  85          2HB       GLU  85  14.482  -7.690  -7.690
  621   2HB   GLU  85          1HB       GLU  85  13.832  -7.009  -7.009
  622   1HG   GLU  85          2HG       GLU  85  14.500  -9.300  -9.300
  623   2HG   GLU  85          1HG       GLU  85  15.622  -8.251  -8.251
  624    H    LYS  86           HN       LYS  86  13.954  -4.798  -4.798
  625    HA   LYS  86           HA       LYS  86  15.047  -4.773  -4.773
  626   1HB   LYS  86          1HB       LYS  86  13.079  -2.887  -2.887
  627   2HB   LYS  86          2HB       LYS  86  13.475  -2.877  -2.877
  628   1HG   LYS  86          2HG       LYS  86  12.732  -5.228  -5.228
  629   2HG   LYS  86          1HG       LYS  86  12.378  -5.295  -5.295
  630   1HD   LYS  86          2HD       LYS  86  10.325  -4.991  -4.991
  631   2HD   LYS  86          1HD       LYS  86  10.670  -3.516  -3.516
  632   1HE   LYS  86          1HE       LYS  86  11.439  -2.397  -2.397
  633   2HE   LYS  86          2HE       LYS  86  11.245  -3.910  -3.910
  634   1HZ   LYS  86          1HZ       LYS  86   9.094  -2.411  -2.411
  635   2HZ   LYS  86          3HZ       LYS  86   9.426  -2.407  -2.407
  636   3HZ   LYS  86          2HZ       LYS  86   8.898  -3.787  -3.787
  637    H    LEU  87           H        LEU  87  15.489  -2.424  -2.424
  638    HA   LEU  87           HA       LEU  87  17.105  -0.665  -0.665
  639   1HB   LEU  87          2HB       LEU  87  15.414   0.072   0.072
  640   2HB   LEU  87          1HB       LEU  87  16.493  -0.576  -0.576
  641    HG   LEU  87           HG       LEU  87  18.195   1.110   1.110
  642   1HD1  LEU  87          2HD2      LEU  87  16.162   2.037   2.037
  643   2HD1  LEU  87          3HD2      LEU  87  17.562   2.988   2.988
  644   3HD1  LEU  87          1HD2      LEU  87  17.817   1.460   1.460
  645   1HD2  LEU  87          3HD1      LEU  87  16.440   1.609   1.609
  646   2HD2  LEU  87          1HD1      LEU  87  16.971   3.064   3.064
  647   3HD2  LEU  87          2HD1      LEU  87  15.422   2.304   2.304
  648    H    ASP  88           HN       ASP  88  17.767  -3.563  -3.563
  649    HA   ASP  88           HA       ASP  88  19.486  -4.527  -4.527
  650   1HB   ASP  88          1HB       ASP  88  20.308  -4.360  -4.360
  651   2HB   ASP  88          2HB       ASP  88  21.069  -2.807  -2.807
  652    H    ASP  89           HN       ASP  89  18.478  -2.666  -2.666
  653    HA   ASP  89           HA       ASP  89  20.794  -1.353  -1.353
  654   1HB   ASP  89          1HB       ASP  89  19.615   0.370   0.370
  655   2HB   ASP  89          2HB       ASP  89  18.043  -0.213  -0.213
  656    H    LYS  90           HN       LYS  90  21.160  -2.539  -2.539
  657    HA   LYS  90           HA       LYS  90  19.598  -4.397  -4.397
  658   1HB   LYS  90          1HB       LYS  90  22.131  -2.738  -2.738
  659   2HB   LYS  90          2HB       LYS  90  21.563  -3.972  -3.972
  660   1HG   LYS  90          1HG       LYS  90  23.247  -4.938  -4.938
  661   2HG   LYS  90          2HG       LYS  90  21.705  -5.687  -5.687
  662   1HD   LYS  90          1HD       LYS  90  21.585  -4.400  -4.400
  663   2HD   LYS  90          2HD       LYS  90  22.984  -3.406  -3.406
  664   1HE   LYS  90          2HE       LYS  90  24.421  -5.415  -5.415
  665   2HE   LYS  90          1HE       LYS  90  23.020  -6.399  -6.399
  666   1HZ   LYS  90          1HZ       LYS  90  24.060  -4.104  -4.104
  667   2HZ   LYS  90          3HZ       LYS  90  24.347  -5.687  -5.687
  668   3HZ   LYS  90          2HZ       LYS  90  22.822  -5.087  -5.087
  669    H    LYS  91           HN       LYS  91  19.790  -0.855  -0.855
  670    HA   LYS  91           HA       LYS  91  18.379  -1.022  -1.022
  671   1HB   LYS  91          2HB       LYS  91  19.917   1.295   1.295
  672   2HB   LYS  91          1HB       LYS  91  19.184   1.259   1.259
  673   1HG   LYS  91          2HG       LYS  91  20.696  -0.635  -0.635
  674   2HG   LYS  91          1HG       LYS  91  21.486  -0.499  -0.499
  675   1HD   LYS  91          1HD       LYS  91  22.087   1.862   1.862
  676   2HD   LYS  91          2HD       LYS  91  21.338   1.709   1.709
  677   1HE   LYS  91          1HE       LYS  91  22.939  -0.111  -0.111
  678   2HE   LYS  91          2HE       LYS  91  23.686   0.040   0.040
  679   1HZ   LYS  91          3HZ       LYS  91  24.280   2.284   2.284
  680   2HZ   LYS  91          2HZ       LYS  91  23.591   2.141   2.141
  681   3HZ   LYS  91          1HZ       LYS  91  24.903   1.226   1.226
  682    H    ALA  92           H        ALA  92  17.272  -1.164  -1.164
  683    HA   ALA  92           HA       ALA  92  15.582   1.224   1.224
  684   1HB   ALA  92          2HB       ALA  92  16.323   0.201   0.201
  685   2HB   ALA  92          3HB       ALA  92  15.337  -1.223  -1.223
  686   3HB   ALA  92          1HB       ALA  92  14.565   0.336   0.336
  687    H    LYS  93           HN       LYS  93  13.939   1.322   1.322
  688    HA   LYS  93           HA       LYS  93  12.313  -1.116  -1.116
  689   1HB   LYS  93          1HB       LYS  93  13.261   0.959   0.959
  690   2HB   LYS  93          2HB       LYS  93  12.208  -0.433  -0.433
  691   1HG   LYS  93          1HG       LYS  93  14.078  -1.944  -1.944
  692   2HG   LYS  93          2HG       LYS  93  15.120  -0.512  -0.512
  693   1HD   LYS  93          2HD       LYS  93  14.783  -0.058  -0.058
  694   2HD   LYS  93          1HD       LYS  93  13.770  -1.513  -1.513
  695   1HE   LYS  93          2HE       LYS  93  15.696  -2.909  -2.909
  696   2HE   LYS  93          1HE       LYS  93  16.702  -1.453  -1.453
  697   1HZ   LYS  93          1HZ       LYS  93  16.398  -1.137  -1.137
  698   2HZ   LYS  93          2HZ       LYS  93  15.463  -2.490  -2.490
  699   3HZ   LYS  93          3HZ       LYS  93  17.052  -2.617  -2.617
  700    H    THR  94           H        THR  94  10.125  -0.823  -0.823
  701    HA   THR  94           HA       THR  94   9.061   1.786   1.786
  702    HB   THR  94           HB       THR  94   8.356  -0.196  -0.196
  703    HG1  THR  94           HG1      THR  94   6.163   0.112   0.112
  704   1HG2  THR  94          2HG2      THR  94   8.642  -1.956  -1.956
  705   2HG2  THR  94          3HG2      THR  94   7.225  -1.310  -1.310
  706   3HG2  THR  94          1HG2      THR  94   7.085  -2.000  -2.000
  707    H    GLY  95           H        GLY  95   7.308   2.704   2.704
  708   1HA   GLY  95          1HA       GLY  95   7.406   2.431   2.431
  709   2HA   GLY  95          2HA       GLY  95   6.213   3.335   3.335
  710    H    MET  96           H        MET  96   5.815   0.713   0.713
  711    HA   MET  96           HA       MET  96   3.495  -0.139  -0.139
  712   1HB   MET  96          2HB       MET  96   4.078  -0.048  -0.048
  713   2HB   MET  96          1HB       MET  96   5.020  -1.509  -1.509
  714   1HG   MET  96          1HG       MET  96   3.224  -2.870  -2.870
  715   2HG   MET  96          2HG       MET  96   2.234  -1.620  -1.620
  716   1HE   MET  96          2HE       MET  96   1.370  -3.881  -3.881
  717   2HE   MET  96          1HE       MET  96   1.333  -3.218  -3.218
  718   3HE   MET  96          3HE       MET  96   2.886  -3.619  -3.619
  719    H    ALA  97           H        ALA  97   4.416  -0.673  -0.673
  720    HA   ALA  97           HA       ALA  97   5.774  -3.197  -3.197
  721   1HB   ALA  97          1HB       ALA  97   5.907  -1.348  -1.348
  722   2HB   ALA  97          2HB       ALA  97   4.168  -1.496  -1.496
  723   3HB   ALA  97          3HB       ALA  97   5.273  -2.821  -2.821
  724    H    PHE  98           H        PHE  98   4.004  -4.026  -4.026
  725    HA   PHE  98           HA       PHE  98   2.337  -5.953  -5.953
  726   1HB   PHE  98          1HB       PHE  98   0.663  -4.251  -4.251
  727   2HB   PHE  98          2HB       PHE  98   1.200  -3.613  -3.613
  728    HD1  PHE  98           HD2      PHE  98  -0.519  -6.572  -6.572
  729    HD2  PHE  98           HD1      PHE  98   0.265  -4.322  -4.322
  730    HE1  PHE  98           HE2      PHE  98  -2.222  -7.904  -7.904
  731    HE2  PHE  98           HE1      PHE  98  -1.457  -5.637  -5.637
  732    HZ   PHE  98           HZ       PHE  98  -2.723  -7.412  -7.412
  733    H    LYS  99           HN       LYS  99   2.025  -7.740  -7.740
  734    HA   LYS  99           HA       LYS  99   2.777  -7.514  -7.514
  735   1HB   LYS  99          2HB       LYS  99   4.058  -9.803  -9.803
  736   2HB   LYS  99          1HB       LYS  99   4.538  -8.997  -8.997
  737   1HG   LYS  99          1HG       LYS  99   5.240  -7.012  -7.012
  738   2HG   LYS  99          2HG       LYS  99   5.092  -8.214  -8.214
  739   1HD   LYS  99          1HD       LYS  99   6.912  -8.374  -8.374
  740   2HD   LYS  99          2HD       LYS  99   7.410  -8.011  -8.011
  741   1HE   LYS  99          2HE       LYS  99   6.609 -10.318 -10.318
  742   2HE   LYS  99          1HE       LYS  99   6.256 -10.646 -10.646
  743   1HZ   LYS  99          3HZ       LYS  99   8.567 -10.200 -10.200
  744   2HZ   LYS  99          2HZ       LYS  99   8.884 -10.001 -10.001
  745   3HZ   LYS  99          1HZ       LYS  99   8.383 -11.468 -11.468
  746    H    LEU 100           H        LEU 100   1.813  -9.300  -9.300
  747    HA   LEU 100           HA       LEU 100   0.456 -11.408 -11.408
  748   1HB   LEU 100          1HB       LEU 100  -1.009  -9.377  -9.377
  749   2HB   LEU 100          2HB       LEU 100  -0.901  -9.634  -9.634
  750    HG   LEU 100           HG       LEU 100  -1.896 -11.915 -11.915
  751   1HD1  LEU 100          3HD2      LEU 100  -2.167 -11.115 -11.115
  752   2HD1  LEU 100          1HD2      LEU 100  -3.102 -12.420 -12.420
  753   3HD1  LEU 100          2HD2      LEU 100  -1.350 -12.551 -12.551
  754   1HD2  LEU 100          2HD1      LEU 100  -3.290  -9.935  -9.935
  755   2HD2  LEU 100          3HD1      LEU 100  -4.183 -11.146 -11.146
  756   3HD2  LEU 100          1HD1      LEU 100  -3.579  -9.679  -9.679
  757    H    ALA 101           H        ALA 101   1.340 -13.209 -13.209
  758    HA   ALA 101           HA       ALA 101   2.384 -13.160 -13.160
  759   1HB   ALA 101          1HB       ALA 101   3.521 -14.343 -14.343
  760   2HB   ALA 101          3HB       ALA 101   2.145 -15.465 -15.465
  761   3HB   ALA 101          2HB       ALA 101   3.142 -15.427 -15.427
  762    H    LYS 102           HN       LYS 102  -0.415 -12.669 -12.669
  763    HA   LYS 102           HA       LYS 102  -1.449 -14.469 -14.469
  764   1HB   LYS 102          2HB       LYS 102  -2.806 -14.483 -14.483
  765   2HB   LYS 102          1HB       LYS 102  -3.494 -15.146 -15.146
  766   1HG   LYS 102          2HG       LYS 102  -1.559 -16.763 -16.763
  767   2HG   LYS 102          1HG       LYS 102  -1.094 -16.199 -16.199
  768   1HD   LYS 102          2HD       LYS 102  -3.262 -16.882 -16.882
  769   2HD   LYS 102          1HD       LYS 102  -3.832 -17.346 -17.346
  770   1HE   LYS 102          1HE       LYS 102  -3.153 -19.330 -19.330
  771   2HE   LYS 102          2HE       LYS 102  -2.112 -19.105 -19.105
  772   1HZ   LYS 102          3HZ       LYS 102  -1.436 -18.321 -18.321
  773   2HZ   LYS 102          2HZ       LYS 102  -0.880 -19.660 -19.660
  774   3HZ   LYS 102          1HZ       LYS 102  -0.460 -18.162 -18.162
  775    H    GLY 103           H        GLY 103  -3.896 -13.644 -13.644
  776   1HA   GLY 103          1HA       GLY 103  -5.429 -11.950 -11.950
  777   2HA   GLY 103          2HA       GLY 103  -4.571 -11.081 -11.081
  778    H    GLY 104           H        GLY 104  -2.129 -10.553 -10.553
  779   1HA   GLY 104          1HA       GLY 104  -2.061  -8.236  -8.236
  780   2HA   GLY 104          2HA       GLY 104  -0.902  -9.479  -9.479
  781    H    GLU 105           HN       GLU 105  -2.239 -11.124 -11.124
  782    HA   GLU 105           HA       GLU 105  -2.375  -9.641  -9.641
  783   1HB   GLU 105          2HB       GLU 105  -3.188 -11.814 -11.814
  784   2HB   GLU 105          1HB       GLU 105  -1.589 -11.829 -11.829
  785   1HG   GLU 105          2HG       GLU 105  -4.031 -12.815 -12.815
  786   2HG   GLU 105          1HG       GLU 105  -3.165 -13.820 -13.820
  787    H    ASP 106           HN       ASP 106  -4.870 -11.158 -11.158
  788    HA   ASP 106           HA       ASP 106  -7.119 -10.530 -10.530
  789   1HB   ASP 106          2HB       ASP 106  -7.026 -10.887 -10.887
  790   2HB   ASP 106          1HB       ASP 106  -8.410 -11.096 -11.096
  791    H    VAL 107           H        VAL 107  -5.629  -8.933  -8.933
  792    HA   VAL 107           HA       VAL 107  -7.370  -6.689  -6.689
  793    HB   VAL 107           HB       VAL 107  -4.529  -7.180  -7.180
  794   1HG1  VAL 107          2HG1      VAL 107  -6.331  -4.766  -4.766
  795   2HG1  VAL 107          1HG1      VAL 107  -5.106  -5.203  -5.203
  796   3HG1  VAL 107          3HG1      VAL 107  -4.619  -4.811  -4.811
  797   1HG2  VAL 107          3HG2      VAL 107  -6.357  -8.553  -8.553
  798   2HG2  VAL 107          1HG2      VAL 107  -5.635  -7.416  -7.416
  799   3HG2  VAL 107          2HG2      VAL 107  -7.213  -7.056  -7.056
  800    H    ALA 108           H        ALA 108  -4.230  -7.141  -7.141
  801    HA   ALA 108           HA       ALA 108  -4.073  -4.492  -4.492
  802   1HB   ALA 108          2HB       ALA 108  -2.187  -6.091  -6.091
  803   2HB   ALA 108          1HB       ALA 108  -3.013  -7.063  -7.063
  804   3HB   ALA 108          3HB       ALA 108  -2.499  -5.403  -5.403
  805    H    ALA 109           H        ALA 109  -5.544  -7.462  -7.462
  806    HA   ALA 109           HA       ALA 109  -6.505  -6.245  -6.245
  807   1HB   ALA 109          1HB       ALA 109  -7.678  -8.568  -8.568
  808   2HB   ALA 109          3HB       ALA 109  -8.085  -8.137  -8.137
  809   3HB   ALA 109          2HB       ALA 109  -6.439  -8.663  -8.663
  810    H    TYR 110           H        TYR 110  -7.990  -6.543  -6.543
  811    HA   TYR 110           HA       TYR 110 -10.491  -5.341  -5.341
  812   1HB   TYR 110          2HB       TYR 110 -10.271  -6.494  -6.494
  813   2HB   TYR 110          1HB       TYR 110  -8.843  -5.602  -5.602
  814    HD1  TYR 110           HD2      TYR 110 -12.529  -5.278  -5.278
  815    HD2  TYR 110           HD1      TYR 110  -8.959  -3.559  -3.559
  816    HE1  TYR 110           HE2      TYR 110 -13.913  -3.755  -3.755
  817    HE2  TYR 110           HE1      TYR 110 -10.339  -2.046  -2.046
  818    HH   TYR 110           HH       TYR 110 -12.463  -1.476  -1.476
  819    H    LEU 111           H        LEU 111  -7.459  -3.822  -3.822
  820    HA   LEU 111           HA       LEU 111  -8.382  -1.154  -1.154
  821   1HB   LEU 111          1HB       LEU 111  -5.630  -2.378  -2.378
  822   2HB   LEU 111          2HB       LEU 111  -5.870  -0.632  -0.632
  823    HG   LEU 111           HG       LEU 111  -6.764  -2.369  -2.369
  824   1HD1  LEU 111          3HD2      LEU 111  -4.111  -0.917  -0.917
  825   2HD1  LEU 111          2HD2      LEU 111  -4.662  -1.685  -1.685
  826   3HD1  LEU 111          1HD2      LEU 111  -4.343  -2.677  -2.677
  827   1HD2  LEU 111          1HD1      LEU 111  -6.178   0.620   0.620
  828   2HD2  LEU 111          2HD1      LEU 111  -7.778  -0.109  -0.109
  829   3HD2  LEU 111          3HD1      LEU 111  -6.571  -0.183  -0.183
  830    H    ALA 112           H        ALA 112  -6.597  -2.915  -2.915
  831    HA   ALA 112           HA       ALA 112  -6.670  -0.915  -0.915
  832   1HB   ALA 112          1HB       ALA 112  -5.407  -3.023  -3.023
  833   2HB   ALA 112          3HB       ALA 112  -6.925  -3.920  -3.920
  834   3HB   ALA 112          2HB       ALA 112  -6.420  -2.720  -2.720
  835    H    SER 113           H        SER 113  -9.206  -3.364  -3.364
  836    HA   SER 113           HA       SER 113 -10.973  -2.539  -2.539
  837   1HB   SER 113          2HB       SER 113 -11.681  -3.850  -3.850
  838   2HB   SER 113          1HB       SER 113 -12.657  -3.827  -3.827
  839    HG   SER 113           HG       SER 113 -10.097  -5.039  -5.039
  840    H    VAL 114           H        VAL 114 -10.691  -1.522  -1.522
  841    HA   VAL 114           HA       VAL 114 -13.071   0.045   0.045
  842    HB   VAL 114           HB       VAL 114 -10.599  -0.387  -0.387
  843   1HG1  VAL 114          3HG2      VAL 114 -12.758   1.648   1.648
  844   2HG1  VAL 114          2HG2      VAL 114 -11.633   0.993   0.993
  845   3HG1  VAL 114          1HG2      VAL 114 -10.991   1.907   1.907
  846   1HG2  VAL 114          3HG1      VAL 114 -12.458  -2.081  -2.081
  847   2HG2  VAL 114          1HG1      VAL 114 -12.220  -1.312  -1.312
  848   3HG2  VAL 114          2HG1      VAL 114 -13.573  -0.813  -0.813
  849    H    VAL 115           H        VAL 115  -9.614   0.823   0.823
  850    HA   VAL 115           HA       VAL 115  -9.866   3.603   3.603
  851    HB   VAL 115           HB       VAL 115  -7.960   1.556   1.556
  852   1HG1  VAL 115          1HG2      VAL 115  -7.681   4.553   4.553
  853   2HG1  VAL 115          3HG2      VAL 115  -6.341   3.372   3.372
  854   3HG1  VAL 115          2HG2      VAL 115  -7.647   3.409   3.409
  855   1HG2  VAL 115          1HG1      VAL 115  -8.175   1.942   1.942
  856   2HG2  VAL 115          2HG1      VAL 115  -6.576   2.362   2.362
  857   3HG2  VAL 115          3HG1      VAL 115  -7.772   3.632   3.632
  858    H    LYS 116           HN       LYS 116 -11.544   4.336   4.336
  859    HA   LYS 116           HA       LYS 116 -11.842   4.137   4.137
  860   1HB   LYS 116          1HB       LYS 116 -13.535   5.563   5.563
  861   2HB   LYS 116          2HB       LYS 116 -13.937   5.371   5.371
  862   1HG   LYS 116          1HG       LYS 116 -14.260   3.004   3.004
  863   2HG   LYS 116          2HG       LYS 116 -13.585   2.963   2.963
  864   1HD   LYS 116          2HD       LYS 116 -16.213   4.248   4.248
  865   2HD   LYS 116          1HD       LYS 116 -15.984   2.794   2.794
  866   1HE   LYS 116          1HE       LYS 116 -15.479   5.689   5.689
  867   2HE   LYS 116          2HE       LYS 116 -16.560   4.508   4.508
  868   1HZ   LYS 116          2HZ       LYS 116 -14.556   3.269   3.269
  869   2HZ   LYS 116          1HZ       LYS 116 -13.623   4.495   4.495
  870   3HZ   LYS 116          3HZ       LYS 116 -14.656   4.769   4.769
  871    HHA  HEC 117           HHA      HEM 117   2.957   3.037   3.037
  872    HHB  HEC 117           HHB      HEM 117  -0.789  -1.502  -1.502
  873    HHC  HEC 117           HHC      HEM 117  -2.747  -3.131  -3.131
  874    HHD  HEC 117           HHD      HEM 117   1.384   1.120   1.120
  875   1HMA  HEC 117          1HMA      HEM 117   1.401  -1.109  -1.109
  876   2HMA  HEC 117          2HMA      HEM 117   0.062   0.032   0.032
  877   3HMA  HEC 117          3HMA      HEM 117   1.738   0.532   0.532
  878   1HAA  HEC 117          1HAA      HEM 117   3.426   1.651   1.651
  879   2HAA  HEC 117          2HAA      HEM 117   3.729   2.582   2.582
  880   1HBA  HEC 117          1HBA      HEM 117   1.596   3.161   3.161
  881   2HBA  HEC 117          2HBA      HEM 117   1.773   4.056   4.056
  882   1HMB  HEC 117          1HMB      HEM 117  -1.964  -3.402  -3.402
  883   2HMB  HEC 117          2HMB      HEM 117  -3.538  -2.613  -2.613
  884   3HMB  HEC 117          3HMB      HEM 117  -3.207  -4.246  -4.246
  885    HAB  HEC 117           HAB      HEM 117  -4.477  -2.630  -2.630
  886   1HBB  HEC 117          1HBB      HEM 117  -5.350  -3.374  -3.374
  887   2HBB  HEC 117          2HBB      HEM 117  -5.097  -1.688  -1.688
  888   3HBB  HEC 117          3HBB      HEM 117  -6.309  -2.679  -2.679
  889   1HMC  HEC 117          1HMC      HEM 117  -2.216  -3.703  -3.703
  890   2HMC  HEC 117          2HMC      HEM 117  -2.484  -2.474  -2.474
  891   3HMC  HEC 117          3HMC      HEM 117  -3.427  -2.430  -2.430
  892    HAC  HEC 117           HAC      HEM 117   0.100   0.489   0.489
  893   1HBC  HEC 117          1HBC      HEM 117  -0.776  -2.255  -2.255
  894   2HBC  HEC 117          2HBC      HEM 117   0.898  -1.729  -1.729
  895   3HBC  HEC 117          3HBC      HEM 117  -0.112  -0.931  -0.931
  896   1HMD  HEC 117          1HMD      HEM 117   2.096   3.894   3.894
  897   2HMD  HEC 117          2HMD      HEM 117   3.793   3.895   3.895
  898   3HMD  HEC 117          3HMD      HEM 117   3.133   2.490   2.490
  899   1HAD  HEC 117          1HAD      HEM 117   3.532   4.698   4.698
  900   2HAD  HEC 117          2HAD      HEM 117   3.984   4.815   4.815
  901   1HBD  HEC 117          1HBD      HEM 117   5.190   2.962   2.962
  902   2HBD  HEC 117          2HBD      HEM 117   5.419   2.741   2.741

  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -7.263 -13.730 -13.730
    2   2H    GLY   1          2H        GLY   1  -7.022 -12.204 -12.204
    3   1HA   GLY   1          1HA       GLY   1  -6.908 -12.871 -12.871
    4   2HA   GLY   1          2HA       GLY   1  -6.608 -11.275 -11.275
    5    H    ASP   2           HN       ASP   2  -8.892 -12.910 -12.910
    6    HA   ASP   2           HA       ASP   2 -11.284 -12.130 -12.130
    7   1HB   ASP   2          1HB       ASP   2 -11.239 -14.307 -14.307
    8   2HB   ASP   2          2HB       ASP   2 -11.016 -13.509 -13.509
    9    H    ALA   3           H        ALA   3 -11.227  -9.962  -9.962
   10    HA   ALA   3           HA       ALA   3 -10.538  -8.131  -8.131
   11   1HB   ALA   3          3HB       ALA   3 -11.218  -7.564  -7.564
   12   2HB   ALA   3          1HB       ALA   3 -12.911  -7.956  -7.956
   13   3HB   ALA   3          2HB       ALA   3 -12.114  -6.578  -6.578
   14    H    ALA   4           H        ALA   4 -13.576 -10.045 -10.045
   15    HA   ALA   4           HA       ALA   4 -14.810  -8.338  -8.338
   16   1HB   ALA   4          1HB       ALA   4 -16.154  -9.791  -9.791
   17   2HB   ALA   4          2HB       ALA   4 -15.454 -11.231 -11.231
   18   3HB   ALA   4          3HB       ALA   4 -16.440 -10.110 -10.110
   19    H    LYS   5           HN       LYS   5 -12.965 -11.424 -11.424
   20    HA   LYS   5           HA       LYS   5 -12.925 -11.752 -11.752
   21   1HB   LYS   5          2HB       LYS   5 -10.942 -12.591 -12.591
   22   2HB   LYS   5          1HB       LYS   5 -10.800 -13.058 -13.058
   23   1HG   LYS   5          2HG       LYS   5 -13.148 -13.749 -13.749
   24   2HG   LYS   5          1HG       LYS   5 -11.803 -14.817 -14.817
   25   1HD   LYS   5          1HD       LYS   5 -13.949 -13.791 -13.791
   26   2HD   LYS   5          2HD       LYS   5 -13.728 -15.431 -15.431
   27   1HE   LYS   5          2HE       LYS   5 -11.474 -15.500 -15.500
   28   2HE   LYS   5          1HE       LYS   5 -11.863 -13.934 -13.934
   29   1HZ   LYS   5          2HZ       LYS   5 -13.774 -14.939 -14.939
   30   2HZ   LYS   5          1HZ       LYS   5 -13.412 -16.398 -16.398
   31   3HZ   LYS   5          3HZ       LYS   5 -12.398 -15.734 -15.734
   32    H    GLY   6           H        GLY   6 -10.836 -10.041 -10.041
   33   1HA   GLY   6          1HA       GLY   6  -8.889  -9.010  -9.010
   34   2HA   GLY   6          2HA       GLY   6  -9.494  -8.209  -8.209
   35    H    GLU   7           HN       GLU   7 -12.060  -7.520  -7.520
   36    HA   GLU   7           HA       GLU   7 -11.857  -5.244  -5.244
   37   1HB   GLU   7          1HB       GLU   7 -13.572  -5.596  -5.596
   38   2HB   GLU   7          2HB       GLU   7 -14.404  -6.769  -6.769
   39   1HG   GLU   7          2HG       GLU   7 -15.029  -5.129  -5.129
   40   2HG   GLU   7          1HG       GLU   7 -13.822  -3.974  -3.974
   41    H    LYS   8           HN       LYS   8 -13.349  -8.427  -8.427
   42    HA   LYS   8           HA       LYS   8 -14.044  -7.651  -7.651
   43   1HB   LYS   8          1HB       LYS   8 -13.467 -10.371 -10.371
   44   2HB   LYS   8          2HB       LYS   8 -14.069 -10.134 -10.134
   45   1HG   LYS   8          2HG       LYS   8 -16.013  -8.871  -8.871
   46   2HG   LYS   8          1HG       LYS   8 -15.494  -9.152  -9.152
   47   1HD   LYS   8          1HD       LYS   8 -16.217 -11.312 -11.312
   48   2HD   LYS   8          2HD       LYS   8 -17.307 -10.696 -10.696
   49   1HE   LYS   8          2HE       LYS   8 -14.700 -12.203 -12.203
   50   2HE   LYS   8          1HE       LYS   8 -16.339 -12.840 -12.840
   51   1HZ   LYS   8          1HZ       LYS   8 -16.736 -11.196 -11.196
   52   2HZ   LYS   8          2HZ       LYS   8 -15.187 -10.643 -10.643
   53   3HZ   LYS   8          3HZ       LYS   8 -15.472 -12.175 -12.175
   54    H    GLU   9           HN       GLU   9 -11.127  -9.236  -9.236
   55    HA   GLU   9           HA       GLU   9  -9.752  -9.514  -9.514
   56   1HB   GLU   9          1HB       GLU   9  -9.260 -10.657 -10.657
   57   2HB   GLU   9          2HB       GLU   9  -8.547  -9.138  -9.138
   58   1HG   GLU   9          2HG       GLU   9  -6.804 -10.648 -10.648
   59   2HG   GLU   9          1HG       GLU   9  -6.893  -9.267  -9.267
   60    H    PHE  10           H        PHE  10 -10.112  -6.759  -6.759
   61    HA   PHE  10           HA       PHE  10  -8.096  -5.123  -5.123
   62   1HB   PHE  10          2HB       PHE  10  -9.767  -4.713  -4.713
   63   2HB   PHE  10          1HB       PHE  10 -10.815  -4.003  -4.003
   64    HD1  PHE  10           HD2      PHE  10  -7.556  -3.730  -3.730
   65    HD2  PHE  10           HD1      PHE  10 -10.225  -1.847  -1.847
   66    HE1  PHE  10           HE2      PHE  10  -6.135  -1.713  -1.713
   67    HE2  PHE  10           HE1      PHE  10  -8.783   0.173   0.173
   68    HZ   PHE  10           HZ       PHE  10  -6.771   0.271   0.271
   69    H    ASN  11           H        ASN  11 -10.893  -6.228  -6.228
   70    HA   ASN  11           HA       ASN  11 -11.070  -4.078  -4.078
   71   1HB   ASN  11          2HB       ASN  11 -11.586  -7.058  -7.058
   72   2HB   ASN  11          1HB       ASN  11 -11.681  -5.961  -5.961
   73   1HD2  ASN  11          1HD2      ASN  11 -14.629  -5.769  -5.769
   74   2HD2  ASN  11          2HD2      ASN  11 -13.185  -6.747  -6.747
   75    H    LYS  12           HN       LYS  12  -8.530  -6.534  -6.534
   76    HA   LYS  12           HA       LYS  12  -7.218  -6.030  -6.030
   77   1HB   LYS  12          1HB       LYS  12  -6.106  -7.048  -7.048
   78   2HB   LYS  12          2HB       LYS  12  -5.332  -7.171  -7.171
   79   1HG   LYS  12          1HG       LYS  12  -7.939  -8.560  -8.560
   80   2HG   LYS  12          2HG       LYS  12  -6.338  -9.256  -9.256
   81   1HD   LYS  12          2HD       LYS  12  -7.049  -9.972  -9.972
   82   2HD   LYS  12          1HD       LYS  12  -6.446  -8.396  -8.396
   83   1HE   LYS  12          1HE       LYS  12  -8.815  -7.502  -7.502
   84   2HE   LYS  12          2HE       LYS  12  -9.340  -9.110  -9.110
   85   1HZ   LYS  12          3HZ       LYS  12  -8.622  -9.950  -9.950
   86   2HZ   LYS  12          2HZ       LYS  12  -8.125  -8.451  -8.451
   87   3HZ   LYS  12          1HZ       LYS  12  -9.723  -8.740  -8.740
   88    H    CYS  13           H        CYS  13  -6.676  -4.889  -4.889
   89    HA   CYS  13           HA       CYS  13  -4.522  -3.262  -3.262
   90   1HB   CYS  13          2HB       CYS  13  -6.960  -2.932  -2.932
   91   2HB   CYS  13          1HB       CYS  13  -5.411  -2.105  -2.105
   92    H    LYS  14           HN       LYS  14  -7.973  -2.553  -2.553
   93    HA   LYS  14           HA       LYS  14  -8.225   0.102   0.102
   94   1HB   LYS  14          1HB       LYS  14 -10.014  -1.626  -1.626
   95   2HB   LYS  14          2HB       LYS  14  -9.768  -2.123  -2.123
   96   1HG   LYS  14          1HG       LYS  14 -10.448   0.160   0.160
   97   2HG   LYS  14          2HG       LYS  14 -10.742   0.572   0.572
   98   1HD   LYS  14          2HD       LYS  14 -12.392  -1.296  -1.296
   99   2HD   LYS  14          1HD       LYS  14 -12.149  -1.640  -1.640
  100   1HE   LYS  14          2HE       LYS  14 -13.149   1.012   1.012
  101   2HE   LYS  14          1HE       LYS  14 -14.183  -0.248  -0.248
  102   1HZ   LYS  14          2HZ       LYS  14 -12.096   1.228   1.228
  103   2HZ   LYS  14          1HZ       LYS  14 -13.716   1.479   1.479
  104   3HZ   LYS  14          3HZ       LYS  14 -13.067   0.058   0.058
  105    H    THR  15           H        THR  15  -7.036  -2.273  -2.273
  106    HA   THR  15           HA       THR  15  -7.466  -0.898  -0.898
  107    HB   THR  15           HB       THR  15  -5.059  -2.624  -2.624
  108    HG1  THR  15           HG1      THR  15  -6.836  -3.798  -3.798
  109   1HG2  THR  15          2HG2      THR  15  -6.464  -2.086  -2.086
  110   2HG2  THR  15          3HG2      THR  15  -5.172  -3.274  -3.274
  111   3HG2  THR  15          1HG2      THR  15  -4.830  -1.546  -1.546
  112    H    CYS  16           H        CYS  16  -5.080  -0.350  -0.350
  113    HA   CYS  16           HA       CYS  16  -3.980   1.969   1.969
  114   1HB   CYS  16          1HB       CYS  16  -2.590   0.062   0.062
  115   2HB   CYS  16          2HB       CYS  16  -1.880   1.588   1.588
  116    H    HIS  17           HN       HIS  17  -5.095   0.750   0.750
  117    HA   HIS  17           HA       HIS  17  -4.532   3.416   3.416
  118   1HB   HIS  17          2HB       HIS  17  -5.235   0.716   0.716
  119   2HB   HIS  17          1HB       HIS  17  -4.886   2.161   2.161
  120    HD1  HIS  17           HD1      HIS  17  -2.589   3.084   3.084
  121    HD2  HIS  17           HD2      HIS  17  -2.695  -0.475  -0.475
  122    HE1  HIS  17           HE1      HIS  17  -0.241   2.183   2.183
  123    H    SER  18           H        SER  18  -6.127   3.654   3.654
  124    HA   SER  18           HA       SER  18  -8.910   2.905   2.905
  125   1HB   SER  18          2HB       SER  18  -8.589   4.968   4.968
  126   2HB   SER  18          1HB       SER  18  -8.154   5.849   5.849
  127    HG   SER  18           HG       SER  18 -10.370   6.094   6.094
  128    H    ILE  19           H        ILE  19 -10.222   4.296   4.296
  129    HA   ILE  19           HA       ILE  19  -9.008   4.529   4.529
  130    HB   ILE  19           HB       ILE  19 -10.766   2.268   2.268
  131   1HG1  ILE  19          1HG1      ILE  19  -8.954   2.519   2.519
  132   2HG1  ILE  19          2HG1      ILE  19  -8.250   2.298   2.298
  133   1HG2  ILE  19          2HG2      ILE  19 -11.085   3.718   3.718
  134   2HG2  ILE  19          3HG2      ILE  19 -11.644   2.067   2.067
  135   3HG2  ILE  19          1HG2      ILE  19 -12.343   3.397   3.397
  136   1HD1  ILE  19          3HD1      ILE  19  -9.603   0.221   0.221
  137   2HD1  ILE  19          1HD1      ILE  19 -10.211   0.385   0.385
  138   3HD1  ILE  19          2HD1      ILE  19  -8.482   0.126   0.126
  139    H    ILE  20           H        ILE  20  -9.698   6.411   6.411
  140    HA   ILE  20           HA       ILE  20 -12.240   7.566   7.566
  141    HB   ILE  20           HB       ILE  20  -9.875   8.619   8.619
  142   1HG1  ILE  20          2HG1      ILE  20 -10.838  10.970  10.970
  143   2HG1  ILE  20          1HG1      ILE  20 -12.331  10.065  10.065
  144   1HG2  ILE  20          2HG2      ILE  20  -9.072   8.331   8.331
  145   2HG2  ILE  20          1HG2      ILE  20 -10.229   9.578   9.578
  146   3HG2  ILE  20          3HG2      ILE  20  -8.939   9.977   9.977
  147   1HD1  ILE  20          3HD1      ILE  20 -12.016   9.013   9.013
  148   2HD1  ILE  20          2HD1      ILE  20 -10.642  10.091  10.091
  149   3HD1  ILE  20          1HD1      ILE  20 -12.263  10.774  10.774
  150    H    ALA  21           H        ALA  21 -13.700   8.555   8.555
  151    HA   ALA  21           HA       ALA  21 -13.652   7.425   7.425
  152   1HB   ALA  21          1HB       ALA  21 -15.759   8.032   8.032
  153   2HB   ALA  21          3HB       ALA  21 -15.323   9.724   9.724
  154   3HB   ALA  21          2HB       ALA  21 -15.715   8.690   8.690
  155    HA   PRO  22           HA       PRO  22 -11.222  10.715  10.715
  156   1HB   PRO  22          1HB       PRO  22 -12.588  11.391  11.391
  157   2HB   PRO  22          2HB       PRO  22 -11.552   9.954   9.954
  158   1HG   PRO  22          1HG       PRO  22 -14.559  10.111  10.111
  159   2HG   PRO  22          2HG       PRO  22 -13.588   8.892   8.892
  160   1HD   PRO  22          1HD       PRO  22 -14.551   8.381   8.381
  161   2HD   PRO  22          2HD       PRO  22 -12.906   7.857   7.857
  162    H    ASP  23           HN       ASP  23 -14.721  11.271  11.271
  163    HA   ASP  23           HA       ASP  23 -14.554  14.156  14.156
  164   1HB   ASP  23          1HB       ASP  23 -16.937  13.958  13.958
  165   2HB   ASP  23          2HB       ASP  23 -16.579  13.052  13.052
  166    H    GLY  24           H        GLY  24 -13.598  11.881  11.881
  167   1HA   GLY  24          1HA       GLY  24 -12.639  12.601  12.601
  168   2HA   GLY  24          2HA       GLY  24 -13.784  13.928  13.928
  169    H    THR  25           H        THR  25 -15.932  11.573  11.573
  170    HA   THR  25           HA       THR  25 -16.791  11.236  11.236
  171    HB   THR  25           HB       THR  25 -17.450   9.506   9.506
  172    HG1  THR  25           HG1      THR  25 -17.976  11.629  11.629
  173   1HG2  THR  25          1HG2      THR  25 -18.942   9.951   9.951
  174   2HG2  THR  25          3HG2      THR  25 -19.567   9.080   9.080
  175   3HG2  THR  25          2HG2      THR  25 -18.187   8.425   8.425
  176    H    GLU  26           HN       GLU  26 -16.126   9.952   9.952
  177    HA   GLU  26           HA       GLU  26 -13.951   8.097   8.097
  178   1HB   GLU  26          2HB       GLU  26 -15.857   8.416   8.416
  179   2HB   GLU  26          1HB       GLU  26 -14.244   7.686   7.686
  180   1HG   GLU  26          1HG       GLU  26 -13.385   9.985   9.985
  181   2HG   GLU  26          2HG       GLU  26 -14.958  10.624  10.624
  182    H    ILE  27           H        ILE  27 -14.776   6.718   6.718
  183    HA   ILE  27           HA       ILE  27 -16.964   4.982   4.982
  184    HB   ILE  27           HB       ILE  27 -14.303   4.386   4.386
  185   1HG1  ILE  27          2HG1      ILE  27 -15.152   6.350   6.350
  186   2HG1  ILE  27          1HG1      ILE  27 -15.447   5.038   5.038
  187   1HG2  ILE  27          1HG2      ILE  27 -17.013   3.029   3.029
  188   2HG2  ILE  27          3HG2      ILE  27 -15.646   2.802   2.802
  189   3HG2  ILE  27          2HG2      ILE  27 -15.502   2.303   2.303
  190   1HD1  ILE  27          3HD1      ILE  27 -17.852   4.944   4.944
  191   2HD1  ILE  27          1HD1      ILE  27 -17.502   6.430   6.430
  192   3HD1  ILE  27          2HD1      ILE  27 -17.414   6.428   6.428
  193    H    VAL  28           H        VAL  28 -13.509   4.191   4.191
  194    HA   VAL  28           HA       VAL  28 -14.612   1.850   1.850
  195    HB   VAL  28           HB       VAL  28 -11.799   2.713   2.713
  196   1HG1  VAL  28          2HG1      VAL  28 -12.732   0.422   0.422
  197   2HG1  VAL  28          1HG1      VAL  28 -11.101   0.576   0.576
  198   3HG1  VAL  28          3HG1      VAL  28 -11.683   1.782   1.782
  199   1HG2  VAL  28          1HG2      VAL  28 -13.537   0.272   0.272
  200   2HG2  VAL  28          3HG2      VAL  28 -13.105   1.571   1.571
  201   3HG2  VAL  28          2HG2      VAL  28 -11.856   0.474   0.474
  202    H    LYS  29           HN       LYS  29 -13.078   4.994   4.994
  203    HA   LYS  29           HA       LYS  29 -12.802   6.176   6.176
  204   1HB   LYS  29          1HB       LYS  29 -15.319   5.963   5.963
  205   2HB   LYS  29          2HB       LYS  29 -15.225   4.639   4.639
  206   1HG   LYS  29          1HG       LYS  29 -14.466   6.093   6.093
  207   2HG   LYS  29          2HG       LYS  29 -14.059   7.377   7.377
  208   1HD   LYS  29          1HD       LYS  29 -16.065   7.907   7.907
  209   2HD   LYS  29          2HD       LYS  29 -16.412   7.830   7.830
  210   1HE   LYS  29          1HE       LYS  29 -16.912   5.444   5.444
  211   2HE   LYS  29          2HE       LYS  29 -18.087   6.757   6.757
  212   1HZ   LYS  29          1HZ       LYS  29 -18.175   6.347   6.347
  213   2HZ   LYS  29          3HZ       LYS  29 -17.122   5.092   5.092
  214   3HZ   LYS  29          2HZ       LYS  29 -18.593   5.004   5.004
  215    H    GLY  30           H        GLY  30 -11.030   4.265   4.265
  216   1HA   GLY  30          1HA       GLY  30 -10.897   2.604   2.604
  217   2HA   GLY  30          2HA       GLY  30  -9.780   2.619   2.619
  218    H    ALA  31           H        ALA  31  -8.251   2.660   2.660
  219    HA   ALA  31           HA       ALA  31  -8.015   5.224   5.224
  220   1HB   ALA  31          2HB       ALA  31  -7.378   3.121   3.121
  221   2HB   ALA  31          3HB       ALA  31  -6.178   2.826   2.826
  222   3HB   ALA  31          1HB       ALA  31  -5.967   4.187   4.187
  223    H    LYS  32           HN       LYS  32  -5.736   6.261   6.261
  224    HA   LYS  32           HA       LYS  32  -4.716   6.496   6.496
  225   1HB   LYS  32          2HB       LYS  32  -5.390   8.798   8.798
  226   2HB   LYS  32          1HB       LYS  32  -4.445   8.920   8.920
  227   1HG   LYS  32          1HG       LYS  32  -6.469   9.570   9.570
  228   2HG   LYS  32          2HG       LYS  32  -6.485   7.850   7.850
  229   1HD   LYS  32          2HD       LYS  32  -7.918   7.440   7.440
  230   2HD   LYS  32          1HD       LYS  32  -7.864   9.170   9.170
  231   1HE   LYS  32          2HE       LYS  32  -9.058   9.677   9.677
  232   2HE   LYS  32          1HE       LYS  32  -8.917   7.991   7.991
  233   1HZ   LYS  32          2HZ       LYS  32 -10.403   8.844   8.844
  234   2HZ   LYS  32          1HZ       LYS  32 -11.069   8.487   8.487
  235   3HZ   LYS  32          3HZ       LYS  32 -10.289   7.310   7.310
  236    H    THR  33           H        THR  33  -3.785   4.821   4.821
  237    HA   THR  33           HA       THR  33  -1.468   6.082   6.082
  238    HB   THR  33           HB       THR  33  -1.977   3.117   3.117
  239    HG1  THR  33           HG1      THR  33  -3.137   4.887   4.887
  240   1HG2  THR  33          1HG2      THR  33   0.180   3.788   3.788
  241   2HG2  THR  33          2HG2      THR  33  -0.682   4.733   4.733
  242   3HG2  THR  33          3HG2      THR  33  -0.862   2.966   2.966
  243    H    GLY  34           H        GLY  34  -2.339   4.115   4.115
  244   1HA   GLY  34          1HA       GLY  34   0.364   4.553   4.553
  245   2HA   GLY  34          2HA       GLY  34  -0.722   3.211   3.211
  246    HA   PRO  35           HA       PRO  35  -1.619   7.277   7.277
  247   1HB   PRO  35          2HB       PRO  35  -0.909   5.299   5.299
  248   2HB   PRO  35          1HB       PRO  35  -0.730   7.077   7.077
  249   1HG   PRO  35          1HG       PRO  35   1.384   5.487   5.487
  250   2HG   PRO  35          2HG       PRO  35   1.132   6.965   6.965
  251   1HD   PRO  35          2HD       PRO  35   0.596   4.104   4.104
  252   2HD   PRO  35          1HD       PRO  35   1.183   5.443   5.443
  253    H    ASN  36           H        ASN  36  -3.259   7.386   7.386
  254    HA   ASN  36           HA       ASN  36  -5.491   5.511   5.511
  255   1HB   ASN  36          2HB       ASN  36  -5.882   7.996   7.996
  256   2HB   ASN  36          1HB       ASN  36  -5.329   7.949   7.949
  257   1HD2  ASN  36          2HD2      ASN  36  -9.082   6.730   6.730
  258   2HD2  ASN  36          1HD2      ASN  36  -8.059   7.695   7.695
  259    H    LEU  37           H        LEU  37  -5.611   3.752   3.752
  260    HA   LEU  37           HA       LEU  37  -3.562   3.549   3.549
  261   1HB   LEU  37          1HB       LEU  37  -5.470   1.461   1.461
  262   2HB   LEU  37          2HB       LEU  37  -4.154   1.188   1.188
  263    HG   LEU  37           HG       LEU  37  -3.806   2.145   2.145
  264   1HD1  LEU  37          3HD1      LEU  37  -4.449  -0.228  -0.228
  265   2HD1  LEU  37          2HD1      LEU  37  -3.145  -0.515  -0.515
  266   3HD1  LEU  37          1HD1      LEU  37  -2.765  -0.072  -0.072
  267   1HD2  LEU  37          2HD2      LEU  37  -1.780   1.592   1.592
  268   2HD2  LEU  37          3HD2      LEU  37  -1.993   3.099   3.099
  269   3HD2  LEU  37          1HD2      LEU  37  -1.348   1.661   1.661
  270    H    TYR  38           H        TYR  38  -6.648   4.825   4.825
  271    HA   TYR  38           HA       TYR  38  -7.688   3.589   3.589
  272   1HB   TYR  38          2HB       TYR  38  -9.148   4.988   4.988
  273   2HB   TYR  38          1HB       TYR  38  -8.019   6.341   6.341
  274    HD1  TYR  38           HD2      TYR  38 -10.567   4.485   4.485
  275    HD2  TYR  38           HD1      TYR  38  -7.886   7.846   7.846
  276    HE1  TYR  38           HE2      TYR  38 -11.483   5.289   5.289
  277    HE2  TYR  38           HE1      TYR  38  -8.757   8.631   8.631
  278    HH   TYR  38           HH       TYR  38 -11.401   7.015   7.015
  279    H    GLY  39           H        GLY  39  -6.552   3.458   3.458
  280   1HA   GLY  39          1HA       GLY  39  -5.512   4.273   4.273
  281   2HA   GLY  39          2HA       GLY  39  -5.330   5.861   5.861
  282    H    VAL  40           H        VAL  40  -4.176   3.116   3.116
  283    HA   VAL  40           HA       VAL  40  -1.494   4.015   4.015
  284    HB   VAL  40           HB       VAL  40  -2.587   2.445   2.445
  285   1HG1  VAL  40          1HG2      VAL  40  -3.210   0.610   0.610
  286   2HG1  VAL  40          3HG2      VAL  40  -1.475   0.308   0.308
  287   3HG1  VAL  40          2HG2      VAL  40  -2.184   0.057   0.057
  288   1HG2  VAL  40          2HG1      VAL  40  -0.252   3.173   3.173
  289   2HG2  VAL  40          1HG1      VAL  40  -0.414   1.477   1.477
  290   3HG2  VAL  40          3HG1      VAL  40   0.229   1.876   1.876
  291    H    VAL  41           H        VAL  41  -3.287   1.607   1.607
  292    HA   VAL  41           HA       VAL  41  -1.086   0.469   0.469
  293    HB   VAL  41           HB       VAL  41  -3.974   0.712   0.712
  294   1HG1  VAL  41          1HG1      VAL  41  -1.774  -1.287  -1.287
  295   2HG1  VAL  41          3HG1      VAL  41  -3.456  -1.351  -1.351
  296   3HG1  VAL  41          2HG1      VAL  41  -2.409  -0.024  -0.024
  297   1HG2  VAL  41          1HG2      VAL  41  -2.607  -1.360  -1.360
  298   2HG2  VAL  41          3HG2      VAL  41  -3.997  -0.332  -0.332
  299   3HG2  VAL  41          2HG2      VAL  41  -4.170  -1.611  -1.611
  300    H    GLY  42           H        GLY  42   0.329   1.630   1.630
  301   1HA   GLY  42          1HA       GLY  42   0.984   2.588   2.588
  302   2HA   GLY  42          2HA       GLY  42  -0.472   3.590   3.590
  303    H    ARG  43           HN       ARG  43   0.221   3.862   3.862
  304    HA   ARG  43           HA       ARG  43   1.401   6.471   6.471
  305   1HB   ARG  43          2HB       ARG  43  -0.152   6.281   6.281
  306   2HB   ARG  43          1HB       ARG  43   0.672   4.907   4.907
  307   1HG   ARG  43          1HG       ARG  43   2.564   6.225   6.225
  308   2HG   ARG  43          2HG       ARG  43   1.998   7.619   7.619
  309   1HD   ARG  43          1HD       ARG  43   0.495   6.382   6.382
  310   2HD   ARG  43          2HD       ARG  43   1.649   7.694   7.694
  311    HE   ARG  43           HE       ARG  43  -1.058   7.904   7.904
  312   1HH1  ARG  43          2HH1      ARG  43   2.183   9.334   9.334
  313   2HH1  ARG  43          1HH1      ARG  43   1.577  10.954  10.954
  314   1HH2  ARG  43          1HH2      ARG  43  -1.838  10.000  10.000
  315   2HH2  ARG  43          2HH2      ARG  43  -0.739  11.310  11.310
  316    H    THR  44           H        THR  44   3.437   7.193   7.193
  317    HA   THR  44           HA       THR  44   5.633   5.438   5.438
  318    HB   THR  44           HB       THR  44   5.573   8.420   8.420
  319    HG1  THR  44           HG1      THR  44   5.544   6.971   6.971
  320   1HG2  THR  44          3HG2      THR  44   7.726   6.562   6.562
  321   2HG2  THR  44          2HG2      THR  44   7.801   8.339   8.339
  322   3HG2  THR  44          1HG2      THR  44   7.793   7.496   7.496
  323    H    ALA  45           H        ALA  45   5.030   4.189   4.189
  324    HA   ALA  45           HA       ALA  45   5.444   3.561   3.561
  325   1HB   ALA  45          3HB       ALA  45   7.750   3.964   3.964
  326   2HB   ALA  45          2HB       ALA  45   7.799   5.430   5.430
  327   3HB   ALA  45          1HB       ALA  45   7.644   3.843   3.843
  328    H    GLY  46           H        GLY  46   6.877   5.307   5.307
  329   1HA   GLY  46          1HA       GLY  46   4.588   6.389   6.389
  330   2HA   GLY  46          2HA       GLY  46   6.260   6.558   6.558
  331    H    THR  47           H        THR  47   3.967   7.811   7.811
  332    HA   THR  47           HA       THR  47   4.987  10.602  10.602
  333    HB   THR  47           HB       THR  47   4.289  10.913  10.913
  334    HG1  THR  47           HG1      THR  47   4.642   8.127   8.127
  335   1HG2  THR  47          3HG2      THR  47   6.621   9.057   9.057
  336   2HG2  THR  47          2HG2      THR  47   6.388   9.950   9.950
  337   3HG2  THR  47          1HG2      THR  47   6.634  10.828  10.828
  338    H    TYR  48           H        TYR  48   2.434   8.816   8.816
  339    HA   TYR  48           HA       TYR  48   0.219  10.239  10.239
  340   1HB   TYR  48          1HB       TYR  48   0.404   7.923   7.923
  341   2HB   TYR  48          2HB       TYR  48  -0.005   8.926   8.926
  342    HD1  TYR  48           HD2      TYR  48  -2.192  10.454  10.454
  343    HD2  TYR  48           HD1      TYR  48  -1.182   6.999   6.999
  344    HE1  TYR  48           HE2      TYR  48  -4.541  10.283  10.283
  345    HE2  TYR  48           HE1      TYR  48  -3.462   6.908   6.908
  346    HH   TYR  48           HH       TYR  48  -5.610   7.683   7.683
  347    HA   PRO  49           HA       PRO  49   1.186  13.892  13.892
  348   1HB   PRO  49          1HB       PRO  49  -1.716  14.596  14.596
  349   2HB   PRO  49          2HB       PRO  49  -0.303  15.612  15.612
  350   1HG   PRO  49          1HG       PRO  49  -1.723  14.458  14.458
  351   2HG   PRO  49          2HG       PRO  49   0.062  14.542  14.542
  352   1HD   PRO  49          1HD       PRO  49  -1.661  12.170  12.170
  353   2HD   PRO  49          2HD       PRO  49  -0.158  12.270  12.270
  354    H    GLU  50           HN       GLU  50   0.249  15.204  15.204
  355    HA   GLU  50           HA       GLU  50   0.068  15.230  15.230
  356   1HB   GLU  50          2HB       GLU  50  -2.510  13.774  13.774
  357   2HB   GLU  50          1HB       GLU  50  -2.199  14.689  14.689
  358   1HG   GLU  50          2HG       GLU  50  -1.864  16.761  16.761
  359   2HG   GLU  50          1HG       GLU  50  -2.246  15.853  15.853
  360    H    PHE  51           H        PHE  51   1.853  13.193  13.193
  361    HA   PHE  51           HA       PHE  51   1.445  11.489  11.489
  362   1HB   PHE  51          2HB       PHE  51   0.300  10.356  10.356
  363   2HB   PHE  51          1HB       PHE  51   1.908  10.137  10.137
  364    HD1  PHE  51           HD2      PHE  51   3.598   8.737   8.737
  365    HD2  PHE  51           HD1      PHE  51  -0.468   9.185   9.185
  366    HE1  PHE  51           HE2      PHE  51   3.985   7.011   7.011
  367    HE2  PHE  51           HE1      PHE  51  -0.076   7.470   7.470
  368    HZ   PHE  51           HZ       PHE  51   2.145   6.364   6.364
  369    H    LYS  52           HN       LYS  52   3.311  11.800  11.800
  370    HA   LYS  52           HA       LYS  52   5.793  12.405  12.405
  371   1HB   LYS  52          2HB       LYS  52   5.152  13.553  13.553
  372   2HB   LYS  52          1HB       LYS  52   5.109  12.026  12.026
  373   1HG   LYS  52          2HG       LYS  52   7.164  13.309  13.309
  374   2HG   LYS  52          1HG       LYS  52   7.488  11.710  11.710
  375   1HD   LYS  52          1HD       LYS  52   8.997  13.379  13.379
  376   2HD   LYS  52          2HD       LYS  52   8.018  12.655  12.655
  377   1HE   LYS  52          1HE       LYS  52   6.532  14.669  14.669
  378   2HE   LYS  52          2HE       LYS  52   7.465  15.353  15.353
  379   1HZ   LYS  52          2HZ       LYS  52   9.369  15.398  15.398
  380   2HZ   LYS  52          1HZ       LYS  52   8.501  14.752  14.752
  381   3HZ   LYS  52          3HZ       LYS  52   8.122  16.247  16.247
  382    H    TYR  53           H        TYR  53   6.195  10.489  10.489
  383    HA   TYR  53           HA       TYR  53   6.391   7.899   7.899
  384   1HB   TYR  53          2HB       TYR  53   7.668   8.798   8.798
  385   2HB   TYR  53          1HB       TYR  53   7.391   7.156   7.156
  386    HD1  TYR  53           HD2      TYR  53   5.667  10.145  10.145
  387    HD2  TYR  53           HD1      TYR  53   5.443   5.949   5.949
  388    HE1  TYR  53           HE2      TYR  53   3.633   9.925   9.925
  389    HE2  TYR  53           HE1      TYR  53   3.520   5.710   5.710
  390    HH   TYR  53           HH       TYR  53   2.241   6.727   6.727
  391    H    LYS  54           HN       LYS  54   8.599   6.754   6.754
  392    HA   LYS  54           HA       LYS  54  10.830   8.002   8.002
  393   1HB   LYS  54          1HB       LYS  54  10.434   5.200   5.200
  394   2HB   LYS  54          2HB       LYS  54  11.862   5.744   5.744
  395   1HG   LYS  54          2HG       LYS  54  10.436   6.287   6.287
  396   2HG   LYS  54          1HG       LYS  54   9.041   5.579   5.579
  397   1HD   LYS  54          2HD       LYS  54  10.130   3.409   3.409
  398   2HD   LYS  54          1HD       LYS  54  11.648   4.065   4.065
  399   1HE   LYS  54          1HE       LYS  54  10.572   4.610   4.610
  400   2HE   LYS  54          2HE       LYS  54   9.016   4.022   4.022
  401   1HZ   LYS  54          3HZ       LYS  54  11.447   2.394   2.394
  402   2HZ   LYS  54          2HZ       LYS  54  10.169   2.415   2.415
  403   3HZ   LYS  54          1HZ       LYS  54   9.972   1.837   1.837
  404    H    ASP  55           HN       ASP  55  12.980   7.752   7.752
  405    HA   ASP  55           HA       ASP  55  13.070   9.074   9.074
  406   1HB   ASP  55          2HB       ASP  55  14.806   9.327   9.327
  407   2HB   ASP  55          1HB       ASP  55  15.218   7.604   7.604
  408    H    SER  56           H        SER  56  13.111   5.586   5.586
  409    HA   SER  56           HA       SER  56  14.672   4.618   4.618
  410   1HB   SER  56          1HB       SER  56  13.347   2.518   2.518
  411   2HB   SER  56          2HB       SER  56  14.360   3.380   3.380
  412    HG   SER  56           HG       SER  56  12.177   2.973   2.973
  413    H    ILE  57           H        ILE  57  11.256   4.434   4.434
  414    HA   ILE  57           HA       ILE  57  10.429   3.495   3.495
  415    HB   ILE  57           HB       ILE  57   9.358   3.413   3.413
  416   1HG1  ILE  57          1HG1      ILE  57   7.594   4.070   4.070
  417   2HG1  ILE  57          2HG1      ILE  57   8.333   2.501   2.501
  418   1HG2  ILE  57          1HG2      ILE  57   9.317   5.800   5.800
  419   2HG2  ILE  57          2HG2      ILE  57   8.091   6.059   6.059
  420   3HG2  ILE  57          3HG2      ILE  57   7.733   5.057   5.057
  421   1HD1  ILE  57          1HD1      ILE  57   7.017   2.417   2.417
  422   2HD1  ILE  57          2HD1      ILE  57   6.148   3.877   3.877
  423   3HD1  ILE  57          3HD1      ILE  57   6.041   2.387   2.387
  424    H    VAL  58           H        VAL  58  10.770   6.845   6.845
  425    HA   VAL  58           HA       VAL  58   9.614   8.100   8.100
  426    HB   VAL  58           HB       VAL  58  11.621   9.040   9.040
  427   1HG1  VAL  58          1HG2      VAL  58  10.253  10.644  10.644
  428   2HG1  VAL  58          2HG2      VAL  58  11.094  11.345  11.345
  429   3HG1  VAL  58          3HG2      VAL  58  12.004  10.408  10.408
  430   1HG2  VAL  58          2HG1      VAL  58   9.237   8.540   8.540
  431   2HG2  VAL  58          1HG1      VAL  58   9.714  10.233  10.233
  432   3HG2  VAL  58          3HG1      VAL  58   8.689   9.759   9.759
  433    H    ALA  59           H        ALA  59  13.034   7.236   7.236
  434    HA   ALA  59           HA       ALA  59  14.203   8.169   8.169
  435   1HB   ALA  59          2HB       ALA  59  15.494   7.563   7.563
  436   2HB   ALA  59          3HB       ALA  59  15.072   5.852   5.852
  437   3HB   ALA  59          1HB       ALA  59  16.076   6.683   6.683
  438    H    LEU  60           H        LEU  60  12.815   4.972   4.972
  439    HA   LEU  60           HA       LEU  60  13.385   3.673   3.673
  440   1HB   LEU  60          2HB       LEU  60  12.553   2.656   2.656
  441   2HB   LEU  60          1HB       LEU  60  10.973   3.362   3.362
  442    HG   LEU  60           HG       LEU  60  10.638   2.089   2.089
  443   1HD1  LEU  60          2HD2      LEU  60  13.344   0.790   0.790
  444   2HD1  LEU  60          1HD2      LEU  60  12.090   0.246   0.246
  445   3HD1  LEU  60          3HD2      LEU  60  12.854   1.813   1.813
  446   1HD2  LEU  60          3HD1      LEU  60   9.968   1.131   1.131
  447   2HD2  LEU  60          2HD1      LEU  60  10.456  -0.164  -0.164
  448   3HD2  LEU  60          1HD1      LEU  60  11.564   0.365   0.365
  449    H    GLY  61           H        GLY  61  10.542   5.619   5.619
  450   1HA   GLY  61          1HA       GLY  61   9.075   5.590   5.590
  451   2HA   GLY  61          2HA       GLY  61   9.138   6.952   6.952
  452    H    ALA  62           H        ALA  62  11.580   7.955   7.955
  453    HA   ALA  62           HA       ALA  62  11.720   9.426   9.426
  454   1HB   ALA  62          3HB       ALA  62  12.717  10.133  10.133
  455   2HB   ALA  62          1HB       ALA  62  13.976   8.891   8.891
  456   3HB   ALA  62          2HB       ALA  62  13.877  10.225  10.225
  457    H    SER  63           H        SER  63  13.301   6.356   6.356
  458    HA   SER  63           HA       SER  63  15.060   6.268   6.268
  459   1HB   SER  63          1HB       SER  63  13.907   3.923   3.923
  460   2HB   SER  63          2HB       SER  63  15.352   3.933   3.933
  461    HG   SER  63           HG       SER  63  14.995   5.548   5.548
  462    H    GLY  64           H        GLY  64  11.635   5.995   5.995
  463   1HA   GLY  64          1HA       GLY  64  10.410   6.073   6.073
  464   2HA   GLY  64          2HA       GLY  64  11.525   4.946   4.946
  465    H    PHE  65           H        PHE  65  10.628   4.109   4.109
  466    HA   PHE  65           HA       PHE  65   9.357   1.715   1.715
  467   1HB   PHE  65          1HB       PHE  65  10.604   1.715   1.715
  468   2HB   PHE  65          2HB       PHE  65   9.500   2.933   2.933
  469    HD1  PHE  65           HD1      PHE  65   8.594  -0.221  -0.221
  470    HD2  PHE  65           HD2      PHE  65   8.456   1.896   1.896
  471    HE1  PHE  65           HE1      PHE  65   7.032  -1.875  -1.875
  472    HE2  PHE  65           HE2      PHE  65   7.107   0.095   0.095
  473    HZ   PHE  65           HZ       PHE  65   6.408  -1.829  -1.829
  474    H    ALA  66           H        ALA  66   7.321   1.583   1.583
  475    HA   ALA  66           HA       ALA  66   5.180   3.358   3.358
  476   1HB   ALA  66          2HB       ALA  66   5.315   1.763   1.763
  477   2HB   ALA  66          3HB       ALA  66   3.956   2.769   2.769
  478   3HB   ALA  66          1HB       ALA  66   5.514   3.524   3.524
  479    H    TRP  67           H        TRP  67   3.629   2.356   2.356
  480    HA   TRP  67           HA       TRP  67   3.960  -0.418  -0.418
  481   1HB   TRP  67          2HB       TRP  67   1.842   1.683   1.683
  482   2HB   TRP  67          1HB       TRP  67   1.576   0.008   0.008
  483    HD1  TRP  67           HD1      TRP  67   2.673   3.069   3.069
  484    HE1  TRP  67           HE1      TRP  67   4.038   2.669   2.669
  485    HE3  TRP  67           HE3      TRP  67   3.573  -1.953  -1.953
  486    HZ2  TRP  67           HZ2      TRP  67   5.467   0.555   0.555
  487    HZ3  TRP  67           HZ3      TRP  67   4.945  -3.129  -3.129
  488    HH2  TRP  67           HH2      TRP  67   6.020  -1.870  -1.870
  489    H    THR  68           H        THR  68   3.221  -2.158  -2.158
  490    HA   THR  68           HA       THR  68   0.827  -2.027  -2.027
  491    HB   THR  68           HB       THR  68   2.583  -4.004  -4.004
  492    HG1  THR  68           HG1      THR  68   4.371  -2.871  -2.871
  493   1HG2  THR  68          2HG2      THR  68   1.720  -1.290  -1.290
  494   2HG2  THR  68          1HG2      THR  68   2.349  -2.643  -2.643
  495   3HG2  THR  68          3HG2      THR  68   0.788  -2.806  -2.806
  496    H    GLU  69           HN       GLU  69  -0.157  -4.076  -4.076
  497    HA   GLU  69           HA       GLU  69  -1.056  -5.110  -5.110
  498   1HB   GLU  69          1HB       GLU  69  -0.760  -6.750  -6.750
  499   2HB   GLU  69          2HB       GLU  69  -1.932  -6.985  -6.985
  500   1HG   GLU  69          2HG       GLU  69  -2.432  -4.406  -4.406
  501   2HG   GLU  69          1HG       GLU  69  -1.788  -4.817  -4.817
  502    H    GLU  70           HN       GLU  70   1.500  -6.504  -6.504
  503    HA   GLU  70           HA       GLU  70   1.952  -8.834  -8.834
  504   1HB   GLU  70          1HB       GLU  70   4.050  -9.090  -9.090
  505   2HB   GLU  70          2HB       GLU  70   2.630  -8.840  -8.840
  506   1HG   GLU  70          2HG       GLU  70   3.297  -6.435  -6.435
  507   2HG   GLU  70          1HG       GLU  70   4.755  -6.757  -6.757
  508    H    ASP  71           HN       ASP  71   3.568  -5.657  -5.657
  509    HA   ASP  71           HA       ASP  71   5.542  -6.176  -6.176
  510   1HB   ASP  71          1HB       ASP  71   4.243  -3.505  -3.505
  511   2HB   ASP  71          2HB       ASP  71   5.811  -3.793  -3.793
  512    H    ILE  72           H        ILE  72   2.290  -4.694  -4.694
  513    HA   ILE  72           HA       ILE  72   2.276  -4.130  -4.130
  514    HB   ILE  72           HB       ILE  72  -0.011  -4.816  -4.816
  515   1HG1  ILE  72          2HG1      ILE  72   0.797  -2.053  -2.053
  516   2HG1  ILE  72          1HG1      ILE  72   1.474  -2.736  -2.736
  517   1HG2  ILE  72          1HG2      ILE  72  -0.069  -3.548  -3.548
  518   2HG2  ILE  72          2HG2      ILE  72  -1.459  -3.670  -3.670
  519   3HG2  ILE  72          3HG2      ILE  72  -0.738  -5.133  -5.133
  520   1HD1  ILE  72          1HD1      ILE  72  -0.812  -3.069  -3.069
  521   2HD1  ILE  72          3HD1      ILE  72  -1.469  -2.194  -2.194
  522   3HD1  ILE  72          2HD1      ILE  72  -0.365  -1.381  -1.381
  523    H    ALA  73           H        ALA  73   0.978  -6.942  -6.942
  524    HA   ALA  73           HA       ALA  73   0.116  -8.500  -8.500
  525   1HB   ALA  73          1HB       ALA  73  -0.366  -9.007  -9.007
  526   2HB   ALA  73          3HB       ALA  73   1.337  -9.431  -9.431
  527   3HB   ALA  73          2HB       ALA  73   0.344 -10.417 -10.417
  528    H    THR  74           H        THR  74   3.431  -8.207  -8.207
  529    HA   THR  74           HA       THR  74   4.493 -10.275 -10.275
  530    HB   THR  74           HB       THR  74   5.997  -8.036  -8.036
  531    HG1  THR  74           HG1      THR  74   4.738  -9.207  -9.207
  532   1HG2  THR  74          2HG2      THR  74   6.807 -10.831 -10.831
  533   2HG2  THR  74          1HG2      THR  74   7.823  -9.726  -9.726
  534   3HG2  THR  74          3HG2      THR  74   7.347  -9.299  -9.299
  535    H    TYR  75           H        TYR  75   4.828  -6.689  -6.689
  536    HA   TYR  75           HA       TYR  75   6.175  -6.341  -6.341
  537   1HB   TYR  75          2HB       TYR  75   5.916  -4.564  -4.564
  538   2HB   TYR  75          1HB       TYR  75   4.173  -4.587  -4.587
  539    HD1  TYR  75           HD1      TYR  75   7.209  -3.783  -3.783
  540    HD2  TYR  75           HD2      TYR  75   2.919  -3.480  -3.480
  541    HE1  TYR  75           HE1      TYR  75   7.204  -2.066  -2.066
  542    HE2  TYR  75           HE2      TYR  75   2.915  -1.918  -1.918
  543    HH   TYR  75           HH       TYR  75   4.153  -0.894  -0.894
  544    H    VAL  76           H        VAL  76   2.579  -6.611  -6.611
  545    HA   VAL  76           HA       VAL  76   2.073  -6.006  -6.006
  546    HB   VAL  76           HB       VAL  76   0.124  -7.513  -7.513
  547   1HG1  VAL  76          2HG1      VAL  76  -0.036  -5.165  -5.165
  548   2HG1  VAL  76          1HG1      VAL  76   0.461  -5.574  -5.574
  549   3HG1  VAL  76          3HG1      VAL  76  -1.085  -6.170  -6.170
  550   1HG2  VAL  76          2HG2      VAL  76   0.982  -9.252  -9.252
  551   2HG2  VAL  76          1HG2      VAL  76  -0.598  -8.590  -8.590
  552   3HG2  VAL  76          3HG2      VAL  76   0.838  -8.067  -8.067
  553    H    LYS  77           HN       LYS  77   3.366  -9.018  -9.018
  554    HA   LYS  77           HA       LYS  77   3.418 -10.169 -10.169
  555   1HB   LYS  77          2HB       LYS  77   3.895 -12.303 -12.303
  556   2HB   LYS  77          1HB       LYS  77   2.327 -11.631 -11.631
  557   1HG   LYS  77          2HG       LYS  77   3.145 -10.941 -10.941
  558   2HG   LYS  77          1HG       LYS  77   4.809 -11.347 -11.347
  559   1HD   LYS  77          2HD       LYS  77   4.120 -13.753 -13.753
  560   2HD   LYS  77          1HD       LYS  77   2.485 -13.296 -13.296
  561   1HE   LYS  77          1HE       LYS  77   3.677 -14.165 -14.165
  562   2HE   LYS  77          2HE       LYS  77   3.448 -12.425 -12.425
  563   1HZ   LYS  77          2HZ       LYS  77   5.735 -12.127 -12.127
  564   2HZ   LYS  77          3HZ       LYS  77   5.902 -13.752 -13.752
  565   3HZ   LYS  77          1HZ       LYS  77   5.660 -13.106 -13.106
  566    H    ASP  78           HN       ASP  78   5.329  -8.311  -8.311
  567    HA   ASP  78           HA       ASP  78   7.873  -9.283  -9.283
  568   1HB   ASP  78          1HB       ASP  78   7.366  -8.609  -8.609
  569   2HB   ASP  78          2HB       ASP  78   8.965  -8.817  -8.817
  570    HA   PRO  79           HA       PRO  79   7.083  -4.601  -4.601
  571   1HB   PRO  79          1HB       PRO  79   7.223  -4.431  -4.431
  572   2HB   PRO  79          2HB       PRO  79   5.709  -4.586  -4.586
  573   1HG   PRO  79          1HG       PRO  79   7.386  -6.769  -6.769
  574   2HG   PRO  79          2HG       PRO  79   5.619  -6.546  -6.546
  575   1HD   PRO  79          1HD       PRO  79   6.659  -8.335  -8.335
  576   2HD   PRO  79          2HD       PRO  79   5.300  -7.285  -7.285
  577    H    GLY  80           H        GLY  80   8.938  -3.361  -3.361
  578   1HA   GLY  80          1HA       GLY  80  11.106  -2.720  -2.720
  579   2HA   GLY  80          2HA       GLY  80  11.255  -4.058  -4.058
  580    H    ALA  81           H        ALA  81  11.032  -6.314  -6.314
  581    HA   ALA  81           HA       ALA  81  13.297  -6.837  -6.837
  582   1HB   ALA  81          3HB       ALA  81  10.632  -8.298  -8.298
  583   2HB   ALA  81          1HB       ALA  81  12.159  -8.956  -8.956
  584   3HB   ALA  81          2HB       ALA  81  11.995  -8.578  -8.578
  585    H    PHE  82           H        PHE  82  10.019  -6.225  -6.225
  586    HA   PHE  82           HA       PHE  82  10.912  -6.491  -6.491
  587   1HB   PHE  82          2HB       PHE  82   8.472  -6.226  -6.226
  588   2HB   PHE  82          1HB       PHE  82   8.774  -4.500  -4.500
  589    HD1  PHE  82           HD1      PHE  82   9.085  -7.681  -7.681
  590    HD2  PHE  82           HD2      PHE  82   8.424  -3.422  -3.422
  591    HE1  PHE  82           HE1      PHE  82   8.700  -7.833  -7.833
  592    HE2  PHE  82           HE2      PHE  82   8.096  -3.586  -3.586
  593    HZ   PHE  82           HZ       PHE  82   8.199  -5.789  -5.789
  594    H    LEU  83           H        LEU  83  11.051  -3.696  -3.696
  595    HA   LEU  83           HA       LEU  83  11.723  -1.715  -1.715
  596   1HB   LEU  83          1HB       LEU  83  12.377  -1.643  -1.643
  597   2HB   LEU  83          2HB       LEU  83  12.321  -0.335  -0.335
  598    HG   LEU  83           HG       LEU  83  10.010  -1.916  -1.916
  599   1HD1  LEU  83          2HD1      LEU  83  10.835   1.031   1.031
  600   2HD1  LEU  83          3HD1      LEU  83   9.330   0.416   0.416
  601   3HD1  LEU  83          1HD1      LEU  83  10.891  -0.088  -0.088
  602   1HD2  LEU  83          1HD2      LEU  83   9.948   0.094   0.094
  603   2HD2  LEU  83          2HD2      LEU  83   9.485  -1.624  -1.624
  604   3HD2  LEU  83          3HD2      LEU  83   8.515  -0.514  -0.514
  605    H    LYS  84           HN       LYS  84  13.425  -3.417  -3.417
  606    HA   LYS  84           HA       LYS  84  16.059  -2.673  -2.673
  607   1HB   LYS  84          2HB       LYS  84  15.030  -5.375  -5.375
  608   2HB   LYS  84          1HB       LYS  84  16.703  -4.819  -4.819
  609   1HG   LYS  84          1HG       LYS  84  16.070  -3.026  -3.026
  610   2HG   LYS  84          2HG       LYS  84  14.351  -3.273  -3.273
  611   1HD   LYS  84          2HD       LYS  84  14.558  -5.577  -5.577
  612   2HD   LYS  84          1HD       LYS  84  16.226  -5.173  -5.173
  613   1HE   LYS  84          1HE       LYS  84  13.669  -3.808  -3.808
  614   2HE   LYS  84          2HE       LYS  84  14.752  -4.835  -4.835
  615   1HZ   LYS  84          1HZ       LYS  84  16.463  -3.153  -3.153
  616   2HZ   LYS  84          3HZ       LYS  84  15.372  -2.213  -2.213
  617   3HZ   LYS  84          2HZ       LYS  84  15.150  -2.554  -2.554
  618    H    GLU  85           HN       GLU  85  14.285  -5.368  -5.368
  619    HA   GLU  85           HA       GLU  85  16.369  -6.215  -6.215
  620   1HB   GLU  85          2HB       GLU  85  14.398  -7.565  -7.565
  621   2HB   GLU  85          1HB       GLU  85  13.328  -6.380  -6.380
  622   1HG   GLU  85          2HG       GLU  85  14.436  -6.813  -6.813
  623   2HG   GLU  85          1HG       GLU  85  15.436  -8.044  -8.044
  624    H    LYS  86           HN       LYS  86  13.435  -4.305  -4.305
  625    HA   LYS  86           HA       LYS  86  14.309  -3.751  -3.751
  626   1HB   LYS  86          1HB       LYS  86  12.410  -2.180  -2.180
  627   2HB   LYS  86          2HB       LYS  86  12.551  -1.983  -1.983
  628   1HG   LYS  86          1HG       LYS  86  11.727  -4.586  -4.586
  629   2HG   LYS  86          2HG       LYS  86  10.616  -3.378  -3.378
  630   1HD   LYS  86          2HD       LYS  86  12.620  -4.927  -4.927
  631   2HD   LYS  86          1HD       LYS  86  10.935  -5.365  -5.365
  632   1HE   LYS  86          2HE       LYS  86  11.902  -2.783  -2.783
  633   2HE   LYS  86          1HE       LYS  86  11.270  -4.211  -4.211
  634   1HZ   LYS  86          2HZ       LYS  86   9.183  -3.890  -3.890
  635   2HZ   LYS  86          1HZ       LYS  86   9.762  -2.544  -2.544
  636   3HZ   LYS  86          3HZ       LYS  86   9.597  -2.566  -2.566
  637    H    LEU  87           H        LEU  87  14.863  -1.832  -1.832
  638    HA   LEU  87           HA       LEU  87  16.208   0.274   0.274
  639   1HB   LEU  87          1HB       LEU  87  14.547   0.456   0.456
  640   2HB   LEU  87          2HB       LEU  87  15.959   0.132   0.132
  641    HG   LEU  87           HG       LEU  87  14.998   2.555   2.555
  642   1HD1  LEU  87          1HD2      LEU  87  16.781   2.139   2.139
  643   2HD1  LEU  87          3HD2      LEU  87  17.976   2.090   2.090
  644   3HD1  LEU  87          2HD2      LEU  87  17.088   3.580   3.580
  645   1HD2  LEU  87          2HD1      LEU  87  15.380   2.410   2.410
  646   2HD2  LEU  87          1HD1      LEU  87  16.188   3.778   3.778
  647   3HD2  LEU  87          3HD1      LEU  87  17.133   2.357   2.357
  648    H    ASP  88           HN       ASP  88  17.202  -2.727  -2.727
  649    HA   ASP  88           HA       ASP  88  19.027  -3.699  -3.699
  650   1HB   ASP  88          2HB       ASP  88  19.553  -3.270  -3.270
  651   2HB   ASP  88          1HB       ASP  88  20.099  -1.642  -1.642
  652    H    ASP  89           HN       ASP  89  18.152  -2.295  -2.295
  653    HA   ASP  89           HA       ASP  89  20.548  -1.076  -1.076
  654   1HB   ASP  89          1HB       ASP  89  19.344   0.753   0.753
  655   2HB   ASP  89          2HB       ASP  89  17.806   0.162   0.162
  656    H    LYS  90           HN       LYS  90  20.923  -2.239  -2.239
  657    HA   LYS  90           HA       LYS  90  19.212  -4.003  -4.003
  658   1HB   LYS  90          2HB       LYS  90  21.712  -3.999  -3.999
  659   2HB   LYS  90          1HB       LYS  90  21.691  -2.569  -2.569
  660   1HG   LYS  90          1HG       LYS  90  20.541  -3.884  -3.884
  661   2HG   LYS  90          2HG       LYS  90  20.473  -5.285  -5.285
  662   1HD   LYS  90          2HD       LYS  90  22.958  -5.366  -5.366
  663   2HD   LYS  90          1HD       LYS  90  23.036  -3.907  -3.907
  664   1HE   LYS  90          2HE       LYS  90  23.438  -5.867  -5.867
  665   2HE   LYS  90          1HE       LYS  90  21.913  -5.105  -5.105
  666   1HZ   LYS  90          3HZ       LYS  90  22.178  -7.460  -7.460
  667   2HZ   LYS  90          1HZ       LYS  90  21.744  -7.482  -7.482
  668   3HZ   LYS  90          2HZ       LYS  90  20.759  -6.770  -6.770
  669    H    LYS  91           HN       LYS  91  19.621  -0.491  -0.491
  670    HA   LYS  91           HA       LYS  91  18.209  -0.532  -0.532
  671   1HB   LYS  91          1HB       LYS  91  19.504   1.753   1.753
  672   2HB   LYS  91          2HB       LYS  91  18.828   1.849   1.849
  673   1HG   LYS  91          1HG       LYS  91  20.520   0.301   0.301
  674   2HG   LYS  91          2HG       LYS  91  21.148   0.019   0.019
  675   1HD   LYS  91          2HD       LYS  91  22.615   1.543   1.543
  676   2HD   LYS  91          1HD       LYS  91  21.834   2.364   2.364
  677   1HE   LYS  91          1HE       LYS  91  20.271   3.496   3.496
  678   2HE   LYS  91          2HE       LYS  91  20.926   2.582   2.582
  679   1HZ   LYS  91          1HZ       LYS  91  22.405   4.497   4.497
  680   2HZ   LYS  91          2HZ       LYS  91  21.830   4.775   4.775
  681   3HZ   LYS  91          3HZ       LYS  91  23.022   3.662   3.662
  682    H    ALA  92           H        ALA  92  17.080  -0.820  -0.820
  683    HA   ALA  92           HA       ALA  92  15.186   1.360   1.360
  684   1HB   ALA  92          1HB       ALA  92  15.938   0.278   0.278
  685   2HB   ALA  92          3HB       ALA  92  15.060  -1.192  -1.192
  686   3HB   ALA  92          2HB       ALA  92  14.178   0.310   0.310
  687    H    LYS  93           HN       LYS  93  14.378   1.162   1.162
  688    HA   LYS  93           HA       LYS  93  12.548  -1.099  -1.099
  689   1HB   LYS  93          1HB       LYS  93  13.308   1.401   1.401
  690   2HB   LYS  93          2HB       LYS  93  12.285   0.084   0.084
  691   1HG   LYS  93          1HG       LYS  93  14.137  -1.513  -1.513
  692   2HG   LYS  93          2HG       LYS  93  15.190  -0.238  -0.238
  693   1HD   LYS  93          2HD       LYS  93  14.962   1.038   1.038
  694   2HD   LYS  93          1HD       LYS  93  13.939  -0.252  -0.252
  695   1HE   LYS  93          1HE       LYS  93  15.819  -1.870  -1.870
  696   2HE   LYS  93          2HE       LYS  93  16.835  -0.576  -0.576
  697   1HZ   LYS  93          3HZ       LYS  93  16.626   0.571   0.571
  698   2HZ   LYS  93          2HZ       LYS  93  15.682  -0.630  -0.630
  699   3HZ   LYS  93          1HZ       LYS  93  17.253  -0.935  -0.935
  700    H    THR  94           H        THR  94  10.216  -0.745  -0.745
  701    HA   THR  94           HA       THR  94   9.049   1.695   1.695
  702    HB   THR  94           HB       THR  94   8.379  -0.217  -0.217
  703    HG1  THR  94           HG1      THR  94   6.187  -0.132  -0.132
  704   1HG2  THR  94          2HG2      THR  94   8.965  -2.072  -2.072
  705   2HG2  THR  94          3HG2      THR  94   7.603  -1.625  -1.625
  706   3HG2  THR  94          1HG2      THR  94   7.312  -2.205  -2.205
  707    H    GLY  95           H        GLY  95   7.379   2.600   2.600
  708   1HA   GLY  95          1HA       GLY  95   7.496   2.298   2.298
  709   2HA   GLY  95          2HA       GLY  95   6.218   3.105   3.105
  710    H    MET  96           H        MET  96   5.875   0.486   0.486
  711    HA   MET  96           HA       MET  96   3.765  -0.612  -0.612
  712   1HB   MET  96          2HB       MET  96   4.144  -0.368  -0.368
  713   2HB   MET  96          1HB       MET  96   5.205  -1.756  -1.756
  714   1HG   MET  96          1HG       MET  96   3.535  -3.250  -3.250
  715   2HG   MET  96          2HG       MET  96   2.459  -2.040  -2.040
  716   1HE   MET  96          1HE       MET  96   3.168  -4.294  -4.294
  717   2HE   MET  96          2HE       MET  96   1.534  -4.421  -4.421
  718   3HE   MET  96          3HE       MET  96   1.736  -3.905  -3.905
  719    H    ALA  97           H        ALA  97   5.121  -1.070  -1.070
  720    HA   ALA  97           HA       ALA  97   6.683  -3.533  -3.533
  721   1HB   ALA  97          2HB       ALA  97   7.065  -1.714  -1.714
  722   2HB   ALA  97          1HB       ALA  97   5.424  -1.922  -1.922
  723   3HB   ALA  97          3HB       ALA  97   6.625  -3.220  -3.220
  724    H    PHE  98           H        PHE  98   4.681  -4.406  -4.406
  725    HA   PHE  98           HA       PHE  98   3.261  -6.374  -6.374
  726   1HB   PHE  98          1HB       PHE  98   1.711  -4.626  -4.626
  727   2HB   PHE  98          2HB       PHE  98   1.875  -3.870  -3.870
  728    HD1  PHE  98           HD2      PHE  98   0.754  -4.722  -4.722
  729    HD2  PHE  98           HD1      PHE  98   0.245  -6.648  -6.648
  730    HE1  PHE  98           HE2      PHE  98  -0.875  -6.270  -6.270
  731    HE2  PHE  98           HE1      PHE  98  -1.517  -8.096  -8.096
  732    HZ   PHE  98           HZ       PHE  98  -2.084  -7.919  -7.919
  733    H    LYS  99           HN       LYS  99   2.407  -7.978  -7.978
  734    HA   LYS  99           HA       LYS  99   2.541  -7.410  -7.410
  735   1HB   LYS  99          2HB       LYS  99   3.479 -10.010 -10.010
  736   2HB   LYS  99          1HB       LYS  99   4.423  -8.607  -8.607
  737   1HG   LYS  99          2HG       LYS  99   5.247  -8.393  -8.393
  738   2HG   LYS  99          1HG       LYS  99   4.236  -9.783  -9.783
  739   1HD   LYS  99          2HD       LYS  99   5.452 -11.215 -11.215
  740   2HD   LYS  99          1HD       LYS  99   6.436  -9.833  -9.833
  741   1HE   LYS  99          2HE       LYS  99   7.337  -9.640  -9.640
  742   2HE   LYS  99          1HE       LYS  99   6.379 -11.056 -11.056
  743   1HZ   LYS  99          3HZ       LYS  99   8.475 -11.015 -11.015
  744   2HZ   LYS  99          2HZ       LYS  99   8.623 -11.636 -11.636
  745   3HZ   LYS  99          1HZ       LYS  99   7.590 -12.333 -12.333
  746    H    LEU 100           H        LEU 100   1.143  -8.797  -8.797
  747    HA   LEU 100           HA       LEU 100  -0.728 -10.436 -10.436
  748   1HB   LEU 100          1HB       LEU 100  -1.763  -8.438  -8.438
  749   2HB   LEU 100          2HB       LEU 100  -1.165  -8.956  -8.956
  750    HG   LEU 100           HG       LEU 100  -2.471 -11.082 -11.082
  751   1HD1  LEU 100          1HD2      LEU 100  -3.572  -9.795  -9.795
  752   2HD1  LEU 100          2HD2      LEU 100  -4.314 -11.174 -11.174
  753   3HD1  LEU 100          3HD2      LEU 100  -2.716 -11.349 -11.349
  754   1HD2  LEU 100          1HD1      LEU 100  -3.352  -9.080  -9.080
  755   2HD2  LEU 100          3HD1      LEU 100  -4.609 -10.135 -10.135
  756   3HD2  LEU 100          2HD1      LEU 100  -4.208  -8.617  -8.617
  757    H    ALA 101           H        ALA 101   0.115 -12.483 -12.483
  758    HA   ALA 101           HA       ALA 101   1.631 -13.226 -13.226
  759   1HB   ALA 101          1HB       ALA 101   2.262 -13.973 -13.973
  760   2HB   ALA 101          2HB       ALA 101   0.737 -14.879 -14.879
  761   3HB   ALA 101          3HB       ALA 101   1.949 -15.341 -15.341
  762    H    LYS 102           HN       LYS 102  -0.838 -12.449 -12.449
  763    HA   LYS 102           HA       LYS 102  -1.761 -14.546 -14.546
  764   1HB   LYS 102          2HB       LYS 102  -3.987 -15.002 -15.002
  765   2HB   LYS 102          1HB       LYS 102  -2.784 -15.531 -15.531
  766   1HG   LYS 102          2HG       LYS 102  -3.102 -13.400 -13.400
  767   2HG   LYS 102          1HG       LYS 102  -4.404 -12.941 -12.941
  768   1HD   LYS 102          1HD       LYS 102  -4.304 -15.317 -15.317
  769   2HD   LYS 102          2HD       LYS 102  -5.347 -13.894 -13.894
  770   1HE   LYS 102          2HE       LYS 102  -5.497 -16.150 -16.150
  771   2HE   LYS 102          1HE       LYS 102  -6.663 -15.761 -15.761
  772   1HZ   LYS 102          1HZ       LYS 102  -6.026 -14.040 -14.040
  773   2HZ   LYS 102          2HZ       LYS 102  -7.370 -14.978 -14.978
  774   3HZ   LYS 102          3HZ       LYS 102  -7.134 -13.703 -13.703
  775    H    GLY 103           H        GLY 103  -4.270 -13.701 -13.701
  776   1HA   GLY 103          1HA       GLY 103  -5.626 -11.967 -11.967
  777   2HA   GLY 103          2HA       GLY 103  -4.622 -10.831 -10.831
  778    H    GLY 104           H        GLY 104  -2.195 -11.015 -11.015
  779   1HA   GLY 104          1HA       GLY 104  -1.538  -9.339  -9.339
  780   2HA   GLY 104          2HA       GLY 104  -0.984 -10.956 -10.956
  781    H    GLU 105           HN       GLU 105  -2.567 -12.159 -12.159
  782    HA   GLU 105           HA       GLU 105  -2.773 -10.605 -10.605
  783   1HB   GLU 105          1HB       GLU 105  -3.764 -12.594 -12.594
  784   2HB   GLU 105          2HB       GLU 105  -2.316 -12.967 -12.967
  785   1HG   GLU 105          2HG       GLU 105  -3.854 -13.729 -13.729
  786   2HG   GLU 105          1HG       GLU 105  -5.212 -13.521 -13.521
  787    H    ASP 106           HN       ASP 106  -5.269 -11.679 -11.679
  788    HA   ASP 106           HA       ASP 106  -7.539 -10.793 -10.793
  789   1HB   ASP 106          1HB       ASP 106  -7.310 -11.281 -11.281
  790   2HB   ASP 106          2HB       ASP 106  -8.784 -11.224 -11.224
  791    H    VAL 107           H        VAL 107  -5.686  -9.516  -9.516
  792    HA   VAL 107           HA       VAL 107  -7.174  -7.084  -7.084
  793    HB   VAL 107           HB       VAL 107  -4.345  -7.808  -7.808
  794   1HG1  VAL 107          3HG1      VAL 107  -6.128  -5.427  -5.427
  795   2HG1  VAL 107          1HG1      VAL 107  -4.732  -5.927  -5.927
  796   3HG1  VAL 107          2HG1      VAL 107  -4.493  -5.385  -5.385
  797   1HG2  VAL 107          2HG2      VAL 107  -6.203  -9.192  -9.192
  798   2HG2  VAL 107          1HG2      VAL 107  -5.402  -8.155  -8.155
  799   3HG2  VAL 107          3HG2      VAL 107  -6.982  -7.690  -7.690
  800    H    ALA 108           H        ALA 108  -4.204  -7.881  -7.881
  801    HA   ALA 108           HA       ALA 108  -3.762  -5.281  -5.281
  802   1HB   ALA 108          2HB       ALA 108  -3.195  -8.010  -8.010
  803   2HB   ALA 108          3HB       ALA 108  -2.581  -6.461  -6.461
  804   3HB   ALA 108          1HB       ALA 108  -2.104  -7.039  -7.039
  805    H    ALA 109           H        ALA 109  -5.682  -8.020  -8.020
  806    HA   ALA 109           HA       ALA 109  -6.662  -6.671  -6.671
  807   1HB   ALA 109          1HB       ALA 109  -8.033  -8.814  -8.814
  808   2HB   ALA 109          3HB       ALA 109  -8.491  -8.322  -8.322
  809   3HB   ALA 109          2HB       ALA 109  -6.910  -9.072  -9.072
  810    H    TYR 110           H        TYR 110  -7.984  -6.760  -6.760
  811    HA   TYR 110           HA       TYR 110 -10.255  -5.154  -5.154
  812   1HB   TYR 110          1HB       TYR 110 -10.071  -6.388  -6.388
  813   2HB   TYR 110          2HB       TYR 110  -8.646  -5.481  -5.481
  814    HD1  TYR 110           HD1      TYR 110 -12.150  -4.746  -4.746
  815    HD2  TYR 110           HD2      TYR 110  -9.020  -3.812  -3.812
  816    HE1  TYR 110           HE1      TYR 110 -13.584  -3.020  -3.020
  817    HE2  TYR 110           HE2      TYR 110 -10.511  -2.160  -2.160
  818    HH   TYR 110           HH       TYR 110 -13.921  -1.815  -1.815
  819    H    LEU 111           H        LEU 111  -6.978  -4.191  -4.191
  820    HA   LEU 111           HA       LEU 111  -7.469  -1.417  -1.417
  821   1HB   LEU 111          1HB       LEU 111  -4.951  -3.061  -3.061
  822   2HB   LEU 111          2HB       LEU 111  -4.898  -1.298  -1.298
  823    HG   LEU 111           HG       LEU 111  -6.252  -2.854  -2.854
  824   1HD1  LEU 111          3HD1      LEU 111  -3.344  -1.965  -1.965
  825   2HD1  LEU 111          2HD1      LEU 111  -4.164  -2.635  -2.635
  826   3HD1  LEU 111          1HD1      LEU 111  -3.928  -3.643  -3.643
  827   1HD2  LEU 111          3HD2      LEU 111  -5.074  -0.045  -0.045
  828   2HD2  LEU 111          2HD2      LEU 111  -6.792  -0.442  -0.442
  829   3HD2  LEU 111          1HD2      LEU 111  -5.688  -0.744  -0.744
  830    H    ALA 112           H        ALA 112  -6.483  -3.458  -3.458
  831    HA   ALA 112           HA       ALA 112  -6.286  -1.248  -1.248
  832   1HB   ALA 112          2HB       ALA 112  -5.405  -3.488  -3.488
  833   2HB   ALA 112          1HB       ALA 112  -7.052  -4.148  -4.148
  834   3HB   ALA 112          3HB       ALA 112  -6.544  -2.942  -2.942
  835    H    SER 113           H        SER 113  -9.007  -3.478  -3.478
  836    HA   SER 113           HA       SER 113 -10.962  -2.345  -2.345
  837   1HB   SER 113          2HB       SER 113 -11.437  -3.578  -3.578
  838   2HB   SER 113          1HB       SER 113 -12.592  -3.438  -3.438
  839    HG   SER 113           HG       SER 113 -10.183  -4.963  -4.963
  840    H    VAL 114           H        VAL 114  -9.931  -1.292  -1.292
  841    HA   VAL 114           HA       VAL 114 -11.972   0.483   0.483
  842    HB   VAL 114           HB       VAL 114  -9.061   0.094   0.094
  843   1HG1  VAL 114          1HG2      VAL 114 -10.751   2.248   2.248
  844   2HG1  VAL 114          3HG2      VAL 114  -9.177   1.664   1.664
  845   3HG1  VAL 114          2HG2      VAL 114  -9.253   2.467   2.467
  846   1HG2  VAL 114          2HG1      VAL 114 -10.974  -1.392  -1.392
  847   2HG2  VAL 114          1HG1      VAL 114  -9.866  -0.690  -0.690
  848   3HG2  VAL 114          3HG1      VAL 114 -11.473   0.024   0.024
  849    H    VAL 115           H        VAL 115  -9.378   0.862   0.862
  850    HA   VAL 115           HA       VAL 115  -9.376   3.735   3.735
  851    HB   VAL 115           HB       VAL 115  -8.594   1.791   1.791
  852   1HG1  VAL 115          2HG1      VAL 115  -7.878   4.724   4.724
  853   2HG1  VAL 115          3HG1      VAL 115  -7.170   3.677   3.677
  854   3HG1  VAL 115          1HG1      VAL 115  -8.881   4.101   4.101
  855   1HG2  VAL 115          3HG2      VAL 115  -6.957   3.112   3.112
  856   2HG2  VAL 115          1HG2      VAL 115  -7.288   1.379   1.379
  857   3HG2  VAL 115          2HG2      VAL 115  -6.280   2.170   2.170
  858    H    LYS 116           HN       LYS 116 -11.582   4.222   4.222
  859    HA   LYS 116           HA       LYS 116 -13.091   4.334   4.334
  860   1HB   LYS 116          1HB       LYS 116 -14.091   4.028   4.028
  861   2HB   LYS 116          2HB       LYS 116 -15.115   4.343   4.343
  862   1HG   LYS 116          2HG       LYS 116 -14.585   2.206   2.206
  863   2HG   LYS 116          1HG       LYS 116 -13.382   1.836   1.836
  864   1HD   LYS 116          1HD       LYS 116 -16.252   2.485   2.485
  865   2HD   LYS 116          2HD       LYS 116 -15.820   0.850   0.850
  866   1HE   LYS 116          2HE       LYS 116 -14.126   2.171   2.171
  867   2HE   LYS 116          1HE       LYS 116 -15.728   1.569   1.569
  868   1HZ   LYS 116          3HZ       LYS 116 -15.116  -0.567  -0.567
  869   2HZ   LYS 116          1HZ       LYS 116 -13.622  -0.016  -0.016
  870   3HZ   LYS 116          2HZ       LYS 116 -14.056  -0.084  -0.084
  871    HHA  HEC 117           HHA      HEM 117   3.049   2.528   2.528
  872    HHB  HEC 117           HHB      HEM 117  -0.690  -1.913  -1.913
  873    HHC  HEC 117           HHC      HEM 117  -2.367  -3.871  -3.871
  874    HHD  HEC 117           HHD      HEM 117   1.399   0.680   0.680
  875   1HMA  HEC 117          1HMA      HEM 117   0.065  -0.469  -0.469
  876   2HMA  HEC 117          2HMA      HEM 117   1.646   0.232   0.232
  877   3HMA  HEC 117          3HMA      HEM 117   1.536  -1.468  -1.468
  878   1HAA  HEC 117          1HAA      HEM 117   3.649   2.286   2.286
  879   2HAA  HEC 117          2HAA      HEM 117   3.272   1.431   1.431
  880   1HBA  HEC 117          1HBA      HEM 117   1.454   3.520   3.520
  881   2HBA  HEC 117          2HBA      HEM 117   1.188   2.702   2.702
  882   1HMB  HEC 117          1HMB      HEM 117  -2.983  -4.786  -4.786
  883   2HMB  HEC 117          2HMB      HEM 117  -1.911  -3.689  -3.689
  884   3HMB  HEC 117          3HMB      HEM 117  -3.513  -3.125  -3.125
  885    HAB  HEC 117           HAB      HEM 117  -3.280  -5.534  -5.534
  886   1HBB  HEC 117          1HBB      HEM 117  -3.907  -5.223  -5.223
  887   2HBB  HEC 117          2HBB      HEM 117  -4.270  -6.515  -6.515
  888   3HBB  HEC 117          3HBB      HEM 117  -2.586  -6.122  -6.122
  889   1HMC  HEC 117          1HMC      HEM 117  -3.065  -2.756  -2.756
  890   2HMC  HEC 117          2HMC      HEM 117  -2.471  -4.169  -4.169
  891   3HMC  HEC 117          3HMC      HEM 117  -1.683  -3.695  -3.695
  892    HAC  HEC 117           HAC      HEM 117  -0.790  -1.872  -1.872
  893   1HBC  HEC 117          1HBC      HEM 117   0.610  -0.552  -0.552
  894   2HBC  HEC 117          2HBC      HEM 117   1.594  -0.874  -0.874
  895   3HBC  HEC 117          3HBC      HEM 117   0.737   0.693   0.693
  896   1HMD  HEC 117          1HMD      HEM 117   3.742   3.502   3.502
  897   2HMD  HEC 117          2HMD      HEM 117   3.205   2.035   2.035
  898   3HMD  HEC 117          3HMD      HEM 117   2.050   3.350   3.350
  899   1HAD  HEC 117          1HAD      HEM 117   3.865   4.420   4.420
  900   2HAD  HEC 117          2HAD      HEM 117   3.463   4.265   4.265
  901   1HBD  HEC 117          1HBD      HEM 117   5.319   2.788   2.788
  902   2HBD  HEC 117          2HBD      HEM 117   5.474   2.432   2.432

  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -5.309 -12.825 -12.825
    2   2H    GLY   1          2H        GLY   1  -6.281 -12.481 -12.481
    3   1HA   GLY   1          1HA       GLY   1  -6.414 -10.623 -10.623
    4   2HA   GLY   1          2HA       GLY   1  -6.797 -11.777 -11.777
    5    H    ASP   2           HN       ASP   2  -8.203 -12.711 -12.711
    6    HA   ASP   2           HA       ASP   2 -10.897 -12.216 -12.216
    7   1HB   ASP   2          1HB       ASP   2 -10.210 -14.250 -14.250
    8   2HB   ASP   2          2HB       ASP   2  -9.980 -13.281 -13.281
    9    H    ALA   3           H        ALA   3 -10.720  -9.906  -9.906
   10    HA   ALA   3           HA       ALA   3 -10.320  -7.997  -7.997
   11   1HB   ALA   3          3HB       ALA   3 -10.975  -7.541  -7.541
   12   2HB   ALA   3          1HB       ALA   3 -12.641  -8.062  -8.062
   13   3HB   ALA   3          2HB       ALA   3 -11.982  -6.606  -6.606
   14    H    ALA   4           H        ALA   4 -13.192 -10.138 -10.138
   15    HA   ALA   4           HA       ALA   4 -14.663  -8.594  -8.594
   16   1HB   ALA   4          2HB       ALA   4 -15.761 -10.247 -10.247
   17   2HB   ALA   4          1HB       ALA   4 -14.888 -11.563 -11.563
   18   3HB   ALA   4          3HB       ALA   4 -16.042 -10.574 -10.574
   19    H    LYS   5           HN       LYS   5 -12.446 -11.448 -11.448
   20    HA   LYS   5           HA       LYS   5 -12.521 -11.601 -11.601
   21   1HB   LYS   5          1HB       LYS   5 -10.381 -12.432 -12.432
   22   2HB   LYS   5          2HB       LYS   5 -10.281 -12.664 -12.664
   23   1HG   LYS   5          1HG       LYS   5 -12.241 -14.062 -14.062
   24   2HG   LYS   5          2HG       LYS   5 -12.563 -13.769 -13.769
   25   1HD   LYS   5          2HD       LYS   5 -11.566 -15.978 -15.978
   26   2HD   LYS   5          1HD       LYS   5 -10.579 -15.023 -15.023
   27   1HE   LYS   5          1HE       LYS   5  -9.966 -15.110 -15.110
   28   2HE   LYS   5          2HE       LYS   5  -9.428 -16.392 -16.392
   29   1HZ   LYS   5          3HZ       LYS   5  -8.271 -14.779 -14.779
   30   2HZ   LYS   5          2HZ       LYS   5  -8.706 -13.562 -13.562
   31   3HZ   LYS   5          1HZ       LYS   5  -7.744 -14.775 -14.775
   32    H    GLY   6           H        GLY   6 -10.505  -9.787  -9.787
   33   1HA   GLY   6          1HA       GLY   6  -8.702  -8.571  -8.571
   34   2HA   GLY   6          2HA       GLY   6  -9.303  -7.835  -7.835
   35    H    GLU   7           HN       GLU   7 -11.903  -7.344  -7.344
   36    HA   GLU   7           HA       GLU   7 -12.029  -5.054  -5.054
   37   1HB   GLU   7          1HB       GLU   7 -13.519  -5.567  -5.567
   38   2HB   GLU   7          2HB       GLU   7 -14.331  -6.811  -6.811
   39   1HG   GLU   7          2HG       GLU   7 -15.156  -5.152  -5.152
   40   2HG   GLU   7          1HG       GLU   7 -14.187  -3.880  -3.880
   41    H    LYS   8           HN       LYS   8 -13.305  -8.360  -8.360
   42    HA   LYS   8           HA       LYS   8 -14.428  -7.846  -7.846
   43   1HB   LYS   8          1HB       LYS   8 -13.192 -10.360 -10.360
   44   2HB   LYS   8          2HB       LYS   8 -14.023 -10.305 -10.305
   45   1HG   LYS   8          2HG       LYS   8 -16.107  -9.635  -9.635
   46   2HG   LYS   8          1HG       LYS   8 -15.345  -9.327  -9.327
   47   1HD   LYS   8          1HD       LYS   8 -16.596 -11.432 -11.432
   48   2HD   LYS   8          2HD       LYS   8 -14.878 -11.673 -11.673
   49   1HE   LYS   8          2HE       LYS   8 -15.801 -13.428 -13.428
   50   2HE   LYS   8          1HE       LYS   8 -14.527 -12.514 -12.514
   51   1HZ   LYS   8          2HZ       LYS   8 -17.419 -12.094 -12.094
   52   2HZ   LYS   8          1HZ       LYS   8 -16.426 -12.869 -12.869
   53   3HZ   LYS   8          3HZ       LYS   8 -16.229 -11.259 -11.259
   54    H    GLU   9           HN       GLU   9 -11.151  -9.065  -9.065
   55    HA   GLU   9           HA       GLU   9 -10.105  -9.099  -9.099
   56   1HB   GLU   9          1HB       GLU   9  -9.121 -10.161 -10.161
   57   2HB   GLU   9          2HB       GLU   9  -8.603  -8.557  -8.557
   58   1HG   GLU   9          2HG       GLU   9  -7.215  -8.325  -8.325
   59   2HG   GLU   9          1HG       GLU   9  -7.770  -9.918  -9.918
   60    H    PHE  10           H        PHE  10 -10.329  -6.441  -6.441
   61    HA   PHE  10           HA       PHE  10  -8.724  -4.641  -4.641
   62   1HB   PHE  10          2HB       PHE  10  -9.943  -4.474  -4.474
   63   2HB   PHE  10          1HB       PHE  10 -11.178  -3.615  -3.615
   64    HD1  PHE  10           HD2      PHE  10  -7.584  -3.710  -3.710
   65    HD2  PHE  10           HD1      PHE  10 -10.641  -1.371  -1.371
   66    HE1  PHE  10           HE2      PHE  10  -6.087  -1.740  -1.740
   67    HE2  PHE  10           HE1      PHE  10  -9.108   0.597   0.597
   68    HZ   PHE  10           HZ       PHE  10  -6.877   0.437   0.437
   69    H    ASN  11           H        ASN  11 -11.822  -5.782  -5.782
   70    HA   ASN  11           HA       ASN  11 -12.584  -3.542  -3.542
   71   1HB   ASN  11          2HB       ASN  11 -13.235  -6.505  -6.505
   72   2HB   ASN  11          1HB       ASN  11 -13.848  -5.253  -5.253
   73   1HD2  ASN  11          1HD2      ASN  11 -15.267  -5.305  -5.305
   74   2HD2  ASN  11          2HD2      ASN  11 -13.770  -6.147  -6.147
   75    H    LYS  12           HN       LYS  12 -10.036  -5.917  -5.917
   76    HA   LYS  12           HA       LYS  12  -9.603  -5.281  -5.281
   77   1HB   LYS  12          2HB       LYS  12  -8.039  -7.025  -7.025
   78   2HB   LYS  12          1HB       LYS  12  -7.754  -6.867  -6.867
   79   1HG   LYS  12          1HG       LYS  12 -10.069  -7.710  -7.710
   80   2HG   LYS  12          2HG       LYS  12 -10.289  -7.987  -7.987
   81   1HD   LYS  12          2HD       LYS  12  -8.132  -9.292  -9.292
   82   2HD   LYS  12          1HD       LYS  12  -9.671 -10.037 -10.037
   83   1HE   LYS  12          1HE       LYS  12  -9.043  -9.800  -9.800
   84   2HE   LYS  12          2HE       LYS  12  -7.452  -9.189  -9.189
   85   1HZ   LYS  12          1HZ       LYS  12  -8.548 -11.824 -11.824
   86   2HZ   LYS  12          2HZ       LYS  12  -7.391 -11.506 -11.506
   87   3HZ   LYS  12          3HZ       LYS  12  -7.075 -11.249 -11.249
   88    H    CYS  13           H        CYS  13  -8.070  -5.003  -5.003
   89    HA   CYS  13           HA       CYS  13  -5.726  -3.626  -3.626
   90   1HB   CYS  13          2HB       CYS  13  -6.755  -4.551  -4.551
   91   2HB   CYS  13          1HB       CYS  13  -7.588  -2.971  -2.971
   92    H    LYS  14           HN       LYS  14  -8.996  -2.203  -2.203
   93    HA   LYS  14           HA       LYS  14  -8.455   0.456   0.456
   94   1HB   LYS  14          2HB       LYS  14 -10.710   0.807   0.807
   95   2HB   LYS  14          1HB       LYS  14 -10.635  -0.577  -0.577
   96   1HG   LYS  14          2HG       LYS  14 -11.916  -1.530  -1.530
   97   2HG   LYS  14          1HG       LYS  14 -10.336  -1.924  -1.924
   98   1HD   LYS  14          2HD       LYS  14 -10.547   0.185   0.185
   99   2HD   LYS  14          1HD       LYS  14 -12.176   0.388   0.388
  100   1HE   LYS  14          2HE       LYS  14 -12.794  -1.865  -1.865
  101   2HE   LYS  14          1HE       LYS  14 -11.153  -2.062  -2.062
  102   1HZ   LYS  14          3HZ       LYS  14 -13.053   0.026   0.026
  103   2HZ   LYS  14          1HZ       LYS  14 -12.667  -1.324  -1.324
  104   3HZ   LYS  14          2HZ       LYS  14 -11.525  -0.168  -0.168
  105    H    THR  15           H        THR  15  -7.883  -1.673  -1.673
  106    HA   THR  15           HA       THR  15  -8.065   0.194   0.194
  107    HB   THR  15           HB       THR  15  -6.219  -2.217  -2.217
  108    HG1  THR  15           HG1      THR  15  -8.254  -2.926  -2.926
  109   1HG2  THR  15          1HG2      THR  15  -7.388  -0.786  -0.786
  110   2HG2  THR  15          3HG2      THR  15  -6.535  -2.342  -2.342
  111   3HG2  THR  15          2HG2      THR  15  -5.667  -0.877  -0.877
  112    H    CYS  16           H        CYS  16  -5.695  -0.124  -0.124
  113    HA   CYS  16           HA       CYS  16  -4.017   1.993   1.993
  114   1HB   CYS  16          2HB       CYS  16  -3.309  -0.455  -0.455
  115   2HB   CYS  16          1HB       CYS  16  -2.297   0.989   0.989
  116    H    HIS  17           HN       HIS  17  -5.646   0.910   0.910
  117    HA   HIS  17           HA       HIS  17  -4.722   3.391   3.391
  118   1HB   HIS  17          1HB       HIS  17  -5.411   0.573   0.573
  119   2HB   HIS  17          2HB       HIS  17  -5.312   1.932   1.932
  120    HD1  HIS  17           HD1      HIS  17  -2.980   3.249   3.249
  121    HD2  HIS  17           HD2      HIS  17  -2.860  -0.420  -0.420
  122    HE1  HIS  17           HE1      HIS  17  -0.572   2.470   2.470
  123    H    SER  18           H        SER  18  -6.272   4.027   4.027
  124    HA   SER  18           HA       SER  18  -9.114   3.723   3.723
  125   1HB   SER  18          2HB       SER  18  -8.652   5.620   5.620
  126   2HB   SER  18          1HB       SER  18  -7.462   6.268   6.268
  127    HG   SER  18           HG       SER  18  -9.099   6.901   6.901
  128    H    ILE  19           H        ILE  19 -10.425   4.733   4.733
  129    HA   ILE  19           HA       ILE  19  -9.248   4.910   4.910
  130    HB   ILE  19           HB       ILE  19 -11.633   3.143   3.143
  131   1HG1  ILE  19          1HG1      ILE  19  -9.549   1.910   1.910
  132   2HG1  ILE  19          2HG1      ILE  19 -10.442   1.414   1.414
  133   1HG2  ILE  19          1HG2      ILE  19 -10.782   4.056   4.056
  134   2HG2  ILE  19          2HG2      ILE  19 -11.938   2.766   2.766
  135   3HG2  ILE  19          3HG2      ILE  19 -12.303   4.418   4.418
  136   1HD1  ILE  19          1HD1      ILE  19  -8.897   2.805   2.805
  137   2HD1  ILE  19          2HD1      ILE  19  -7.959   3.145   3.145
  138   3HD1  ILE  19          3HD1      ILE  19  -8.103   1.489   1.489
  139    H    ILE  20           H        ILE  20 -10.210   6.488   6.488
  140    HA   ILE  20           HA       ILE  20 -12.265   8.135   8.135
  141    HB   ILE  20           HB       ILE  20  -9.622   8.803   8.803
  142   1HG1  ILE  20          1HG1      ILE  20 -10.543  11.271  11.271
  143   2HG1  ILE  20          2HG1      ILE  20 -12.120  10.470  10.470
  144   1HG2  ILE  20          2HG2      ILE  20  -9.559   8.663   8.663
  145   2HG2  ILE  20          1HG2      ILE  20 -10.711  10.016  10.016
  146   3HG2  ILE  20          3HG2      ILE  20  -9.120  10.245  10.245
  147   1HD1  ILE  20          3HD1      ILE  20 -11.205   9.245   9.245
  148   2HD1  ILE  20          1HD1      ILE  20  -9.819  10.332  10.332
  149   3HD1  ILE  20          2HD1      ILE  20 -11.443  11.002  11.002
  150    H    ALA  21           H        ALA  21 -13.900   8.914   8.914
  151    HA   ALA  21           HA       ALA  21 -14.283   7.555   7.555
  152   1HB   ALA  21          2HB       ALA  21 -15.690   9.923   9.923
  153   2HB   ALA  21          3HB       ALA  21 -16.296   9.098   9.098
  154   3HB   ALA  21          1HB       ALA  21 -16.205   8.230   8.230
  155    HA   PRO  22           HA       PRO  22 -12.324  10.761  10.761
  156   1HB   PRO  22          1HB       PRO  22 -14.116  11.146  11.146
  157   2HB   PRO  22          2HB       PRO  22 -12.976   9.778   9.778
  158   1HG   PRO  22          2HG       PRO  22 -15.896   9.819   9.819
  159   2HG   PRO  22          1HG       PRO  22 -15.009   8.564   8.564
  160   1HD   PRO  22          1HD       PRO  22 -15.535   8.279   8.279
  161   2HD   PRO  22          2HD       PRO  22 -13.979   7.738   7.738
  162    H    ASP  23           HN       ASP  23 -15.745  11.054  11.054
  163    HA   ASP  23           HA       ASP  23 -15.980  13.858  13.858
  164   1HB   ASP  23          1HB       ASP  23 -17.423  11.914  11.914
  165   2HB   ASP  23          2HB       ASP  23 -18.003  13.482  13.482
  166    H    GLY  24           H        GLY  24 -13.875  12.143  12.143
  167   1HA   GLY  24          1HA       GLY  24 -12.581  13.023  13.023
  168   2HA   GLY  24          2HA       GLY  24 -13.721  14.349  14.349
  169    H    THR  25           H        THR  25 -15.969  12.143  12.143
  170    HA   THR  25           HA       THR  25 -16.258  11.960  11.960
  171    HB   THR  25           HB       THR  25 -17.347   9.905   9.905
  172    HG1  THR  25           HG1      THR  25 -18.072  12.639  12.639
  173   1HG2  THR  25          2HG2      THR  25 -18.624  11.448  11.448
  174   2HG2  THR  25          1HG2      THR  25 -19.415  10.228  10.228
  175   3HG2  THR  25          3HG2      THR  25 -18.087   9.754   9.754
  176    H    GLU  26           HN       GLU  26 -15.135  10.794  10.794
  177    HA   GLU  26           HA       GLU  26 -13.320   8.675   8.675
  178   1HB   GLU  26          1HB       GLU  26 -13.060   8.381   8.381
  179   2HB   GLU  26          2HB       GLU  26 -12.589   9.944   9.944
  180   1HG   GLU  26          2HG       GLU  26 -14.526  11.052  11.052
  181   2HG   GLU  26          1HG       GLU  26 -15.290   9.518   9.518
  182    H    ILE  27           H        ILE  27 -14.653   7.252   7.252
  183    HA   ILE  27           HA       ILE  27 -16.848   5.837   5.837
  184    HB   ILE  27           HB       ILE  27 -14.705   4.770   4.770
  185   1HG1  ILE  27          1HG1      ILE  27 -15.542   6.770   6.770
  186   2HG1  ILE  27          2HG1      ILE  27 -16.260   5.414   5.414
  187   1HG2  ILE  27          3HG2      ILE  27 -17.550   3.825   3.825
  188   2HG2  ILE  27          2HG2      ILE  27 -16.544   3.288   3.288
  189   3HG2  ILE  27          1HG2      ILE  27 -16.048   2.935   2.935
  190   1HD1  ILE  27          3HD1      ILE  27 -18.368   5.726   5.726
  191   2HD1  ILE  27          1HD1      ILE  27 -17.636   7.202   7.202
  192   3HD1  ILE  27          2HD1      ILE  27 -17.973   7.085   7.085
  193    H    VAL  28           H        VAL  28 -13.390   4.727   4.727
  194    HA   VAL  28           HA       VAL  28 -14.187   2.886   2.886
  195    HB   VAL  28           HB       VAL  28 -11.618   2.766   2.766
  196   1HG1  VAL  28          3HG2      VAL  28 -12.785   1.038   1.038
  197   2HG1  VAL  28          1HG2      VAL  28 -11.343   0.657   0.657
  198   3HG1  VAL  28          2HG2      VAL  28 -11.338   2.063   2.063
  199   1HG2  VAL  28          3HG1      VAL  28 -14.081   0.956   0.956
  200   2HG2  VAL  28          1HG1      VAL  28 -13.605   1.983   1.983
  201   3HG2  VAL  28          2HG1      VAL  28 -12.570   0.626   0.626
  202    H    LYS  29           HN       LYS  29 -14.514   4.766   4.766
  203    HA   LYS  29           HA       LYS  29 -12.433   6.654   6.654
  204   1HB   LYS  29          2HB       LYS  29 -14.006   7.284   7.284
  205   2HB   LYS  29          1HB       LYS  29 -14.648   7.382   7.382
  206   1HG   LYS  29          1HG       LYS  29 -15.946   5.328   5.328
  207   2HG   LYS  29          2HG       LYS  29 -15.175   5.024   5.024
  208   1HD   LYS  29          1HD       LYS  29 -17.438   5.924   5.924
  209   2HD   LYS  29          2HD       LYS  29 -16.225   6.997   6.997
  210   1HE   LYS  29          2HE       LYS  29 -18.034   8.190   8.190
  211   2HE   LYS  29          1HE       LYS  29 -16.416   8.560   8.560
  212   1HZ   LYS  29          2HZ       LYS  29 -18.225   6.591   6.591
  213   2HZ   LYS  29          1HZ       LYS  29 -18.018   8.139   8.139
  214   3HZ   LYS  29          3HZ       LYS  29 -16.763   7.083   7.083
  215    H    GLY  30           H        GLY  30 -10.970   4.622   4.622
  216   1HA   GLY  30          1HA       GLY  30 -10.875   3.322   3.322
  217   2HA   GLY  30          2HA       GLY  30  -9.864   3.010   3.010
  218    H    ALA  31           H        ALA  31  -8.158   3.186   3.186
  219    HA   ALA  31           HA       ALA  31  -7.588   5.876   5.876
  220   1HB   ALA  31          2HB       ALA  31  -6.988   3.781   3.781
  221   2HB   ALA  31          3HB       ALA  31  -5.818   3.425   3.425
  222   3HB   ALA  31          1HB       ALA  31  -5.609   4.863   4.863
  223    H    LYS  32           HN       LYS  32  -5.396   6.814   6.814
  224    HA   LYS  32           HA       LYS  32  -4.566   6.534   6.534
  225   1HB   LYS  32          1HB       LYS  32  -4.856   9.087   9.087
  226   2HB   LYS  32          2HB       LYS  32  -3.981   8.950   8.950
  227   1HG   LYS  32          2HG       LYS  32  -6.013   9.811   9.811
  228   2HG   LYS  32          1HG       LYS  32  -6.120   8.098   8.098
  229   1HD   LYS  32          2HD       LYS  32  -7.526   7.724   7.724
  230   2HD   LYS  32          1HD       LYS  32  -7.359   9.431   9.431
  231   1HE   LYS  32          1HE       LYS  32  -8.608  10.070  10.070
  232   2HE   LYS  32          2HE       LYS  32  -8.589   8.397   8.397
  233   1HZ   LYS  32          3HZ       LYS  32  -9.917   9.294   9.294
  234   2HZ   LYS  32          2HZ       LYS  32 -10.666   8.942   8.942
  235   3HZ   LYS  32          1HZ       LYS  32  -9.885   7.751   7.751
  236    H    THR  33           H        THR  33  -3.642   4.911   4.911
  237    HA   THR  33           HA       THR  33  -1.270   5.954   5.954
  238    HB   THR  33           HB       THR  33  -1.879   3.048   3.048
  239    HG1  THR  33           HG1      THR  33  -3.125   3.072   3.072
  240   1HG2  THR  33          2HG2      THR  33   0.300   3.557   3.557
  241   2HG2  THR  33          1HG2      THR  33  -0.552   4.394   4.394
  242   3HG2  THR  33          3HG2      THR  33  -0.768   2.647   2.647
  243    H    GLY  34           H        GLY  34  -2.189   4.308   4.308
  244   1HA   GLY  34          1HA       GLY  34   0.512   4.789   4.789
  245   2HA   GLY  34          2HA       GLY  34  -0.532   3.423   3.423
  246    HA   PRO  35           HA       PRO  35  -1.508   7.521   7.521
  247   1HB   PRO  35          1HB       PRO  35  -0.866   6.598   6.598
  248   2HB   PRO  35          2HB       PRO  35   0.295   7.405   7.405
  249   1HG   PRO  35          2HG       PRO  35  -0.137   4.436   4.436
  250   2HG   PRO  35          1HG       PRO  35   1.386   5.369   5.369
  251   1HD   PRO  35          2HD       PRO  35   0.750   4.156   4.156
  252   2HD   PRO  35          1HD       PRO  35   1.324   5.834   5.834
  253    H    ASN  36           H        ASN  36  -3.392   7.838   7.838
  254    HA   ASN  36           HA       ASN  36  -5.444   5.850   5.850
  255   1HB   ASN  36          1HB       ASN  36  -5.832   8.303   8.303
  256   2HB   ASN  36          2HB       ASN  36  -5.286   8.417   8.417
  257   1HD2  ASN  36          1HD2      ASN  36  -8.306   6.975   6.975
  258   2HD2  ASN  36          2HD2      ASN  36  -6.716   7.588   7.588
  259    H    LEU  37           H        LEU  37  -5.834   4.250   4.250
  260    HA   LEU  37           HA       LEU  37  -3.878   3.899   3.899
  261   1HB   LEU  37          1HB       LEU  37  -5.741   1.873   1.873
  262   2HB   LEU  37          2HB       LEU  37  -4.459   1.531   1.531
  263    HG   LEU  37           HG       LEU  37  -4.129   2.554   2.554
  264   1HD1  LEU  37          2HD1      LEU  37  -3.340  -0.036  -0.036
  265   2HD1  LEU  37          1HD1      LEU  37  -2.912   0.369   0.369
  266   3HD1  LEU  37          3HD1      LEU  37  -4.611   0.157   0.157
  267   1HD2  LEU  37          3HD2      LEU  37  -2.339   3.597   3.597
  268   2HD2  LEU  37          1HD2      LEU  37  -1.691   2.391   2.391
  269   3HD2  LEU  37          2HD2      LEU  37  -1.894   1.975   1.975
  270    H    TYR  38           H        TYR  38  -6.735   5.357   5.357
  271    HA   TYR  38           HA       TYR  38  -7.950   3.965   3.965
  272   1HB   TYR  38          2HB       TYR  38  -9.203   5.516   5.516
  273   2HB   TYR  38          1HB       TYR  38  -8.119   6.839   6.839
  274    HD1  TYR  38           HD1      TYR  38 -10.666   4.517   4.517
  275    HD2  TYR  38           HD2      TYR  38  -8.461   8.199   8.199
  276    HE1  TYR  38           HE1      TYR  38 -12.074   5.146   5.146
  277    HE2  TYR  38           HE2      TYR  38  -9.819   8.794   8.794
  278    HH   TYR  38           HH       TYR  38 -12.495   6.798   6.798
  279    H    GLY  39           H        GLY  39  -6.047   3.425   3.425
  280   1HA   GLY  39          1HA       GLY  39  -5.483   3.871   3.871
  281   2HA   GLY  39          2HA       GLY  39  -5.286   5.579   5.579
  282    H    VAL  40           H        VAL  40  -4.061   2.726   2.726
  283    HA   VAL  40           HA       VAL  40  -1.341   3.695   3.695
  284    HB   VAL  40           HB       VAL  40  -2.457   0.853   0.853
  285   1HG1  VAL  40          1HG2      VAL  40   0.261   1.956   1.956
  286   2HG1  VAL  40          3HG2      VAL  40  -0.365   0.328   0.328
  287   3HG1  VAL  40          2HG2      VAL  40  -0.016   0.799   0.799
  288   1HG2  VAL  40          2HG1      VAL  40  -3.298   2.469   2.469
  289   2HG2  VAL  40          3HG1      VAL  40  -2.298   1.179   1.179
  290   3HG2  VAL  40          1HG1      VAL  40  -1.628   2.827   2.827
  291    H    VAL  41           H        VAL  41  -3.136   1.457   1.457
  292    HA   VAL  41           HA       VAL  41  -1.013   0.283   0.283
  293    HB   VAL  41           HB       VAL  41  -3.802   0.852   0.852
  294   1HG1  VAL  41          3HG1      VAL  41  -2.219  -0.092  -0.092
  295   2HG1  VAL  41          1HG1      VAL  41  -1.840  -1.422  -1.422
  296   3HG1  VAL  41          2HG1      VAL  41  -3.471  -1.263  -1.263
  297   1HG2  VAL  41          3HG2      VAL  41  -2.819  -1.358  -1.358
  298   2HG2  VAL  41          1HG2      VAL  41  -4.125  -0.195  -0.195
  299   3HG2  VAL  41          2HG2      VAL  41  -4.334  -1.436  -1.436
  300    H    GLY  42           H        GLY  42   0.543   1.159   1.159
  301   1HA   GLY  42          1HA       GLY  42   1.444   2.250   2.250
  302   2HA   GLY  42          2HA       GLY  42   0.011   3.268   3.268
  303    H    ARG  43           HN       ARG  43   0.421   3.650   3.650
  304    HA   ARG  43           HA       ARG  43   1.682   6.190   6.190
  305   1HB   ARG  43          2HB       ARG  43  -0.116   5.770   5.770
  306   2HB   ARG  43          1HB       ARG  43   1.020   4.865   4.865
  307   1HG   ARG  43          1HG       ARG  43   0.871   7.056   7.056
  308   2HG   ARG  43          2HG       ARG  43   2.462   6.946   6.946
  309   1HD   ARG  43          1HD       ARG  43   1.554   8.183   8.183
  310   2HD   ARG  43          2HD       ARG  43  -0.036   8.242   8.242
  311    HE   ARG  43           HE       ARG  43   1.989   9.355   9.355
  312   1HH1  ARG  43          2HH2      ARG  43   0.326  10.062  10.062
  313   2HH1  ARG  43          1HH2      ARG  43   0.566  11.785  11.785
  314   1HH2  ARG  43          1HH1      ARG  43   2.241  11.568  11.568
  315   2HH2  ARG  43          2HH1      ARG  43   1.708  12.671  12.671
  316    H    THR  44           H        THR  44   3.735   6.923   6.923
  317    HA   THR  44           HA       THR  44   5.835   5.108   5.108
  318    HB   THR  44           HB       THR  44   5.966   8.019   8.019
  319    HG1  THR  44           HG1      THR  44   5.570   6.830   6.830
  320   1HG2  THR  44          1HG2      THR  44   7.863   6.231   6.231
  321   2HG2  THR  44          2HG2      THR  44   8.030   7.991   7.991
  322   3HG2  THR  44          3HG2      THR  44   8.157   6.933   6.933
  323    H    ALA  45           H        ALA  45   5.189   3.737   3.737
  324    HA   ALA  45           HA       ALA  45   5.761   2.898   2.898
  325   1HB   ALA  45          3HB       ALA  45   8.126   3.479   3.479
  326   2HB   ALA  45          1HB       ALA  45   7.986   4.919   4.919
  327   3HB   ALA  45          2HB       ALA  45   7.857   3.302   3.302
  328    H    GLY  46           H        GLY  46   6.910   4.666   4.666
  329   1HA   GLY  46          1HA       GLY  46   4.375   5.600   5.600
  330   2HA   GLY  46          2HA       GLY  46   5.969   5.690   5.690
  331    H    THR  47           H        THR  47   4.081   7.086   7.086
  332    HA   THR  47           HA       THR  47   4.958   9.835   9.835
  333    HB   THR  47           HB       THR  47   4.972  10.376  10.376
  334    HG1  THR  47           HG1      THR  47   5.241   7.608   7.608
  335   1HG2  THR  47          2HG2      THR  47   7.089  10.019  10.019
  336   2HG2  THR  47          3HG2      THR  47   7.014   8.281   8.281
  337   3HG2  THR  47          1HG2      THR  47   7.185   9.438   9.438
  338    H    TYR  48           H        TYR  48   2.360   8.009   8.009
  339    HA   TYR  48           HA       TYR  48   0.387   9.327   9.327
  340   1HB   TYR  48          2HB       TYR  48   0.188   7.075   7.075
  341   2HB   TYR  48          1HB       TYR  48  -0.042   7.896   7.896
  342    HD1  TYR  48           HD2      TYR  48  -2.000   9.481   9.481
  343    HD2  TYR  48           HD1      TYR  48  -1.654   6.755   6.755
  344    HE1  TYR  48           HE2      TYR  48  -4.434   9.606   9.606
  345    HE2  TYR  48           HE1      TYR  48  -4.076   6.743   6.743
  346    HH   TYR  48           HH       TYR  48  -6.102   7.604   7.604
  347    HA   PRO  49           HA       PRO  49   0.616  13.261  13.261
  348   1HB   PRO  49          2HB       PRO  49  -2.404  13.236  13.236
  349   2HB   PRO  49          1HB       PRO  49  -1.282  14.599  14.599
  350   1HG   PRO  49          1HG       PRO  49  -2.194  13.155  13.155
  351   2HG   PRO  49          2HG       PRO  49  -0.449  13.542  13.542
  352   1HD   PRO  49          1HD       PRO  49  -1.826  10.948  10.948
  353   2HD   PRO  49          2HD       PRO  49  -0.302  11.235  11.235
  354    H    GLU  50           HN       GLU  50   0.167  14.442  14.442
  355    HA   GLU  50           HA       GLU  50   0.059  14.662  14.662
  356   1HB   GLU  50          1HB       GLU  50  -2.715  13.475  13.475
  357   2HB   GLU  50          2HB       GLU  50  -2.182  14.666  14.666
  358   1HG   GLU  50          2HG       GLU  50  -2.533  15.057  15.057
  359   2HG   GLU  50          1HG       GLU  50  -3.427  15.834  15.834
  360    H    PHE  51           H        PHE  51   1.734  12.825  12.825
  361    HA   PHE  51           HA       PHE  51   1.001  11.365  11.365
  362   1HB   PHE  51          2HB       PHE  51   0.127   9.847   9.847
  363   2HB   PHE  51          1HB       PHE  51   1.769   9.717   9.717
  364    HD1  PHE  51           HD2      PHE  51  -0.473   9.031   9.031
  365    HD2  PHE  51           HD1      PHE  51   3.506   8.502   8.502
  366    HE1  PHE  51           HE2      PHE  51   0.090   7.565   7.565
  367    HE2  PHE  51           HE1      PHE  51   4.060   7.029   7.029
  368    HZ   PHE  51           HZ       PHE  51   2.331   6.511   6.511
  369    H    LYS  52           HN       LYS  52   2.708  11.473  11.473
  370    HA   LYS  52           HA       LYS  52   5.304  12.369  12.369
  371   1HB   LYS  52          2HB       LYS  52   4.315  13.150  13.150
  372   2HB   LYS  52          1HB       LYS  52   4.424  11.509  11.509
  373   1HG   LYS  52          1HG       LYS  52   6.900  11.572  11.572
  374   2HG   LYS  52          2HG       LYS  52   6.770  13.220  13.220
  375   1HD   LYS  52          2HD       LYS  52   5.750  13.966  13.966
  376   2HD   LYS  52          1HD       LYS  52   5.938  12.328  12.328
  377   1HE   LYS  52          2HE       LYS  52   8.209  14.155  14.155
  378   2HE   LYS  52          1HE       LYS  52   7.756  13.845  13.845
  379   1HZ   LYS  52          1HZ       LYS  52   8.281  11.534  11.534
  380   2HZ   LYS  52          2HZ       LYS  52   8.744  11.839  11.839
  381   3HZ   LYS  52          3HZ       LYS  52   9.585  12.497  12.497
  382    H    TYR  53           H        TYR  53   5.957  10.674  10.674
  383    HA   TYR  53           HA       TYR  53   6.263   7.940   7.940
  384   1HB   TYR  53          2HB       TYR  53   7.619   9.419   9.419
  385   2HB   TYR  53          1HB       TYR  53   7.554   7.687   7.687
  386    HD1  TYR  53           HD1      TYR  53   5.533   6.343   6.343
  387    HD2  TYR  53           HD2      TYR  53   5.652  10.538  10.538
  388    HE1  TYR  53           HE1      TYR  53   3.430   6.101   6.101
  389    HE2  TYR  53           HE2      TYR  53   3.487  10.310  10.310
  390    HH   TYR  53           HH       TYR  53   1.706   8.925   8.925
  391    H    LYS  54           HN       LYS  54   8.654   7.165   7.165
  392    HA   LYS  54           HA       LYS  54  10.664   8.326   8.326
  393   1HB   LYS  54          1HB       LYS  54  10.298   5.428   5.428
  394   2HB   LYS  54          2HB       LYS  54  11.580   6.047   6.047
  395   1HG   LYS  54          1HG       LYS  54   9.924   6.674   6.674
  396   2HG   LYS  54          2HG       LYS  54   8.611   6.131   6.131
  397   1HD   LYS  54          1HD       LYS  54   9.010   4.399   4.399
  398   2HD   LYS  54          2HD       LYS  54   9.535   3.830   3.830
  399   1HE   LYS  54          1HE       LYS  54  11.885   4.204   4.204
  400   2HE   LYS  54          2HE       LYS  54  11.411   4.899   4.899
  401   1HZ   LYS  54          3HZ       LYS  54  10.906   2.145   2.145
  402   2HZ   LYS  54          1HZ       LYS  54  12.061   2.615   2.615
  403   3HZ   LYS  54          2HZ       LYS  54  10.466   2.775   2.775
  404    H    ASP  55           HN       ASP  55  12.880   7.948   7.948
  405    HA   ASP  55           HA       ASP  55  13.253   8.871   8.871
  406   1HB   ASP  55          1HB       ASP  55  15.251   7.229   7.229
  407   2HB   ASP  55          2HB       ASP  55  15.608   8.429   8.429
  408    H    SER  56           H        SER  56  12.891   5.496   5.496
  409    HA   SER  56           HA       SER  56  14.433   4.191   4.191
  410   1HB   SER  56          2HB       SER  56  12.996   2.280   2.280
  411   2HB   SER  56          1HB       SER  56  14.116   3.153   3.153
  412    HG   SER  56           HG       SER  56  11.788   2.874   2.874
  413    H    ILE  57           H        ILE  57  11.020   4.092   4.092
  414    HA   ILE  57           HA       ILE  57  10.079   3.048   3.048
  415    HB   ILE  57           HB       ILE  57   9.028   3.329   3.329
  416   1HG1  ILE  57          1HG1      ILE  57   6.631   3.457   3.457
  417   2HG1  ILE  57          2HG1      ILE  57   7.327   3.708   3.708
  418   1HG2  ILE  57          1HG2      ILE  57   9.188   5.737   5.737
  419   2HG2  ILE  57          3HG2      ILE  57   7.971   5.932   5.932
  420   3HG2  ILE  57          2HG2      ILE  57   7.547   5.157   5.157
  421   1HD1  ILE  57          1HD1      ILE  57   7.961   1.314   1.314
  422   2HD1  ILE  57          2HD1      ILE  57   6.663   1.334   1.334
  423   3HD1  ILE  57          3HD1      ILE  57   8.338   1.504   1.504
  424    H    VAL  58           H        VAL  58  10.616   6.512   6.512
  425    HA   VAL  58           HA       VAL  58   9.532   7.534   7.534
  426    HB   VAL  58           HB       VAL  58  11.512   8.541   8.541
  427   1HG1  VAL  58          1HG1      VAL  58  10.354  10.009  10.009
  428   2HG1  VAL  58          2HG1      VAL  58  11.156  10.782  10.782
  429   3HG1  VAL  58          3HG1      VAL  58  12.080   9.698   9.698
  430   1HG2  VAL  58          3HG2      VAL  58   9.081   8.243   8.243
  431   2HG2  VAL  58          2HG2      VAL  58   9.629   9.926   9.926
  432   3HG2  VAL  58          1HG2      VAL  58   8.644   9.366   9.366
  433    H    ALA  59           H        ALA  59  12.928   6.719   6.719
  434    HA   ALA  59           HA       ALA  59  14.169   7.337   7.337
  435   1HB   ALA  59          2HB       ALA  59  14.915   5.214   5.214
  436   2HB   ALA  59          1HB       ALA  59  15.965   5.817   5.817
  437   3HB   ALA  59          3HB       ALA  59  15.433   6.915   6.915
  438    H    LEU  60           H        LEU  60  12.465   4.352   4.352
  439    HA   LEU  60           HA       LEU  60  13.158   2.747   2.747
  440   1HB   LEU  60          1HB       LEU  60  11.396   2.573   2.573
  441   2HB   LEU  60          2HB       LEU  60  10.313   2.538   2.538
  442    HG   LEU  60           HG       LEU  60  12.422   0.561   0.561
  443   1HD1  LEU  60          3HD1      LEU  60  10.000   0.407   0.407
  444   2HD1  LEU  60          2HD1      LEU  60   9.573   0.274   0.274
  445   3HD1  LEU  60          1HD1      LEU  60  10.545  -0.996  -0.996
  446   1HD2  LEU  60          2HD2      LEU  60  11.371   0.813   0.813
  447   2HD2  LEU  60          3HD2      LEU  60  13.070   0.686   0.686
  448   3HD2  LEU  60          1HD2      LEU  60  12.004  -0.705  -0.705
  449    H    GLY  61           H        GLY  61  10.461   5.104   5.104
  450   1HA   GLY  61          1HA       GLY  61   9.329   4.901   4.901
  451   2HA   GLY  61          2HA       GLY  61   9.271   6.309   6.309
  452    H    ALA  62           H        ALA  62  11.793   7.139   7.139
  453    HA   ALA  62           HA       ALA  62  12.350   8.587   8.587
  454   1HB   ALA  62          2HB       ALA  62  13.199   9.130   9.130
  455   2HB   ALA  62          1HB       ALA  62  14.386   7.813   7.813
  456   3HB   ALA  62          3HB       ALA  62  14.447   9.201   9.201
  457    H    SER  63           H        SER  63  13.514   5.363   5.363
  458    HA   SER  63           HA       SER  63  15.377   5.115   5.115
  459   1HB   SER  63          1HB       SER  63  14.113   2.892   2.892
  460   2HB   SER  63          2HB       SER  63  15.609   2.833   2.833
  461    HG   SER  63           HG       SER  63  15.124   4.504   4.504
  462    H    GLY  64           H        GLY  64  12.211   5.600   5.600
  463   1HA   GLY  64          1HA       GLY  64  11.010   5.350   5.350
  464   2HA   GLY  64          2HA       GLY  64  12.213   4.226   4.226
  465    H    PHE  65           H        PHE  65  10.701   3.772   3.772
  466    HA   PHE  65           HA       PHE  65   9.558   1.198   1.198
  467   1HB   PHE  65          2HB       PHE  65  10.848   1.341   1.341
  468   2HB   PHE  65          1HB       PHE  65   9.701   2.504   2.504
  469    HD1  PHE  65           HD2      PHE  65   7.305   1.807   1.807
  470    HD2  PHE  65           HD1      PHE  65  10.368  -1.041  -1.041
  471    HE1  PHE  65           HE2      PHE  65   6.364   0.185   0.185
  472    HE2  PHE  65           HE1      PHE  65   9.274  -2.739  -2.739
  473    HZ   PHE  65           HZ       PHE  65   7.364  -2.079  -2.079
  474    H    ALA  66           H        ALA  66   7.473   1.034   1.034
  475    HA   ALA  66           HA       ALA  66   5.448   3.043   3.043
  476   1HB   ALA  66          1HB       ALA  66   5.555   1.426   1.426
  477   2HB   ALA  66          2HB       ALA  66   4.239   2.506   2.506
  478   3HB   ALA  66          3HB       ALA  66   5.843   3.175   3.175
  479    H    TRP  67           H        TRP  67   3.813   2.136   2.136
  480    HA   TRP  67           HA       TRP  67   4.058  -0.555  -0.555
  481   1HB   TRP  67          2HB       TRP  67   1.957   1.599   1.599
  482   2HB   TRP  67          1HB       TRP  67   1.630  -0.036  -0.036
  483    HD1  TRP  67           HD1      TRP  67   2.508   3.031   3.031
  484    HE1  TRP  67           HE1      TRP  67   3.683   2.699   2.699
  485    HE3  TRP  67           HE3      TRP  67   3.734  -1.920  -1.920
  486    HZ2  TRP  67           HZ2      TRP  67   5.308   0.686   0.686
  487    HZ3  TRP  67           HZ3      TRP  67   5.142  -2.995  -2.995
  488    HH2  TRP  67           HH2      TRP  67   6.027  -1.666  -1.666
  489    H    THR  68           H        THR  68   4.012  -2.051  -2.051
  490    HA   THR  68           HA       THR  68   1.608  -2.206  -2.206
  491    HB   THR  68           HB       THR  68   2.571  -4.244  -4.244
  492    HG1  THR  68           HG1      THR  68   4.814  -4.062  -4.062
  493   1HG2  THR  68          2HG2      THR  68   3.514  -2.137  -2.137
  494   2HG2  THR  68          3HG2      THR  68   4.808  -2.197  -2.197
  495   3HG2  THR  68          1HG2      THR  68   4.692  -3.465  -3.465
  496    H    GLU  69           HN       GLU  69   0.266  -4.345  -4.345
  497    HA   GLU  69           HA       GLU  69  -0.786  -4.836  -4.836
  498   1HB   GLU  69          2HB       GLU  69  -0.554  -6.537  -6.537
  499   2HB   GLU  69          1HB       GLU  69  -1.702  -6.824  -6.824
  500   1HG   GLU  69          2HG       GLU  69  -1.671  -4.133  -4.133
  501   2HG   GLU  69          1HG       GLU  69  -2.491  -5.538  -5.538
  502    H    GLU  70           HN       GLU  70   1.877  -6.369  -6.369
  503    HA   GLU  70           HA       GLU  70   2.280  -8.619  -8.619
  504   1HB   GLU  70          2HB       GLU  70   4.225  -7.226  -7.226
  505   2HB   GLU  70          1HB       GLU  70   4.402  -8.839  -8.839
  506   1HG   GLU  70          1HG       GLU  70   2.272  -9.531  -9.531
  507   2HG   GLU  70          2HG       GLU  70   2.209  -7.955  -7.955
  508    H    ASP  71           HN       ASP  71   3.846  -5.357  -5.357
  509    HA   ASP  71           HA       ASP  71   5.695  -5.775  -5.775
  510   1HB   ASP  71          1HB       ASP  71   4.392  -3.251  -3.251
  511   2HB   ASP  71          2HB       ASP  71   5.618  -3.229  -3.229
  512    H    ILE  72           H        ILE  72   2.428  -4.280  -4.280
  513    HA   ILE  72           HA       ILE  72   2.345  -3.716  -3.716
  514    HB   ILE  72           HB       ILE  72   0.071  -4.507  -4.507
  515   1HG1  ILE  72          2HG1      ILE  72   0.819  -1.713  -1.713
  516   2HG1  ILE  72          1HG1      ILE  72   1.452  -2.387  -2.387
  517   1HG2  ILE  72          3HG2      ILE  72   0.012  -3.210  -3.210
  518   2HG2  ILE  72          1HG2      ILE  72  -1.391  -3.381  -3.381
  519   3HG2  ILE  72          2HG2      ILE  72  -0.623  -4.815  -4.815
  520   1HD1  ILE  72          2HD1      ILE  72  -0.888  -2.793  -2.793
  521   2HD1  ILE  72          3HD1      ILE  72  -1.482  -1.887  -1.887
  522   3HD1  ILE  72          1HD1      ILE  72  -0.460  -1.093  -1.093
  523    H    ALA  73           H        ALA  73   1.132  -6.621  -6.621
  524    HA   ALA  73           HA       ALA  73   0.285  -8.068  -8.068
  525   1HB   ALA  73          3HB       ALA  73  -0.185  -8.716  -8.716
  526   2HB   ALA  73          2HB       ALA  73   1.524  -9.131  -9.131
  527   3HB   ALA  73          1HB       ALA  73   0.544 -10.069 -10.069
  528    H    THR  74           H        THR  74   3.599  -8.077  -8.077
  529    HA   THR  74           HA       THR  74   4.568 -10.017 -10.017
  530    HB   THR  74           HB       THR  74   6.275  -8.040  -8.040
  531    HG1  THR  74           HG1      THR  74   4.889  -8.999  -8.999
  532   1HG2  THR  74          2HG2      THR  74   6.667 -10.928 -10.928
  533   2HG2  THR  74          1HG2      THR  74   7.835 -10.013 -10.013
  534   3HG2  THR  74          3HG2      THR  74   7.450  -9.496  -9.496
  535    H    TYR  75           H        TYR  75   4.723  -6.417  -6.417
  536    HA   TYR  75           HA       TYR  75   6.314  -6.052  -6.052
  537   1HB   TYR  75          2HB       TYR  75   5.832  -4.231  -4.231
  538   2HB   TYR  75          1HB       TYR  75   4.091  -4.434  -4.434
  539    HD1  TYR  75           HD1      TYR  75   7.157  -3.478  -3.478
  540    HD2  TYR  75           HD2      TYR  75   2.859  -3.282  -3.282
  541    HE1  TYR  75           HE1      TYR  75   7.098  -1.751  -1.751
  542    HE2  TYR  75           HE2      TYR  75   2.814  -1.623  -1.623
  543    HH   TYR  75           HH       TYR  75   4.022  -0.588  -0.588
  544    H    VAL  76           H        VAL  76   2.729  -6.503  -6.503
  545    HA   VAL  76           HA       VAL  76   2.229  -6.273  -6.273
  546    HB   VAL  76           HB       VAL  76   0.819  -7.695  -7.695
  547   1HG1  VAL  76          2HG2      VAL  76  -0.136  -7.386  -7.386
  548   2HG1  VAL  76          1HG2      VAL  76  -1.184  -7.789  -7.789
  549   3HG1  VAL  76          3HG2      VAL  76   0.098  -8.907  -8.907
  550   1HG2  VAL  76          2HG1      VAL  76   0.908  -5.166  -5.166
  551   2HG2  VAL  76          1HG1      VAL  76  -0.730  -5.816  -5.816
  552   3HG2  VAL  76          3HG1      VAL  76   0.104  -5.189  -5.189
  553    H    LYS  77           HN       LYS  77   3.714  -8.911  -8.911
  554    HA   LYS  77           HA       LYS  77   3.310 -10.853 -10.853
  555   1HB   LYS  77          2HB       LYS  77   4.667 -11.077 -11.077
  556   2HB   LYS  77          1HB       LYS  77   4.452 -12.396 -12.396
  557   1HG   LYS  77          1HG       LYS  77   2.055 -12.310 -12.310
  558   2HG   LYS  77          2HG       LYS  77   2.097 -10.799 -10.799
  559   1HD   LYS  77          2HD       LYS  77   3.287 -11.965 -11.965
  560   2HD   LYS  77          1HD       LYS  77   3.139 -13.494 -13.494
  561   1HE   LYS  77          1HE       LYS  77   0.655 -13.215 -13.215
  562   2HE   LYS  77          2HE       LYS  77   0.821 -11.698 -11.698
  563   1HZ   LYS  77          3HZ       LYS  77   1.634 -14.351 -14.351
  564   2HZ   LYS  77          2HZ       LYS  77   0.281 -13.521 -13.521
  565   3HZ   LYS  77          1HZ       LYS  77   1.775 -12.939 -12.939
  566    H    ASP  78           HN       ASP  78   5.842  -8.797  -8.797
  567    HA   ASP  78           HA       ASP  78   7.718  -9.647  -9.647
  568   1HB   ASP  78          2HB       ASP  78   8.529  -9.217  -9.217
  569   2HB   ASP  78          1HB       ASP  78   9.502  -9.858  -9.858
  570    HA   PRO  79           HA       PRO  79   7.519  -4.982  -4.982
  571   1HB   PRO  79          2HB       PRO  79   7.509  -5.244  -5.244
  572   2HB   PRO  79          1HB       PRO  79   6.621  -4.072  -4.072
  573   1HG   PRO  79          2HG       PRO  79   5.388  -6.163  -6.163
  574   2HG   PRO  79          1HG       PRO  79   4.970  -5.668  -5.668
  575   1HD   PRO  79          2HD       PRO  79   6.730  -7.981  -7.981
  576   2HD   PRO  79          1HD       PRO  79   5.510  -7.879  -7.879
  577    H    GLY  80           H        GLY  80   9.420  -3.784  -3.784
  578   1HA   GLY  80          1HA       GLY  80  11.547  -3.127  -3.127
  579   2HA   GLY  80          2HA       GLY  80  11.569  -4.460  -4.460
  580    H    ALA  81           H        ALA  81  11.410  -6.706  -6.706
  581    HA   ALA  81           HA       ALA  81  13.862  -7.155  -7.155
  582   1HB   ALA  81          3HB       ALA  81  11.307  -8.784  -8.784
  583   2HB   ALA  81          2HB       ALA  81  12.892  -9.371  -9.371
  584   3HB   ALA  81          1HB       ALA  81  12.647  -8.926  -8.926
  585    H    PHE  82           H        PHE  82  10.553  -6.743  -6.743
  586    HA   PHE  82           HA       PHE  82  11.316  -7.063  -7.063
  587   1HB   PHE  82          1HB       PHE  82   8.978  -6.823  -6.823
  588   2HB   PHE  82          2HB       PHE  82   9.180  -5.093  -5.093
  589    HD1  PHE  82           HD2      PHE  82   9.762  -8.190  -8.190
  590    HD2  PHE  82           HD1      PHE  82   8.128  -4.194  -4.194
  591    HE1  PHE  82           HE2      PHE  82   9.186  -8.312  -8.312
  592    HE2  PHE  82           HE1      PHE  82   7.406  -4.407  -4.407
  593    HZ   PHE  82           HZ       PHE  82   7.953  -6.452  -6.452
  594    H    LEU  83           H        LEU  83  11.501  -4.165  -4.165
  595    HA   LEU  83           HA       LEU  83  12.266  -2.382  -2.382
  596   1HB   LEU  83          1HB       LEU  83  12.804  -2.076  -2.076
  597   2HB   LEU  83          2HB       LEU  83  13.119  -0.923  -0.923
  598    HG   LEU  83           HG       LEU  83  10.492  -1.318  -1.318
  599   1HD1  LEU  83          2HD2      LEU  83  10.198  -2.809  -2.809
  600   2HD1  LEU  83          3HD2      LEU  83  10.791  -1.500  -1.500
  601   3HD1  LEU  83          1HD2      LEU  83   9.284  -1.295  -1.295
  602   1HD2  LEU  83          1HD1      LEU  83  11.798   0.540   0.540
  603   2HD2  LEU  83          2HD1      LEU  83  11.646   0.874   0.874
  604   3HD2  LEU  83          3HD1      LEU  83  10.204   0.813   0.813
  605    H    LYS  84           HN       LYS  84  14.065  -3.900  -3.900
  606    HA   LYS  84           HA       LYS  84  16.678  -3.262  -3.262
  607   1HB   LYS  84          2HB       LYS  84  15.498  -5.863  -5.863
  608   2HB   LYS  84          1HB       LYS  84  17.239  -5.551  -5.551
  609   1HG   LYS  84          2HG       LYS  84  17.067  -3.653  -3.653
  610   2HG   LYS  84          1HG       LYS  84  15.288  -3.681  -3.681
  611   1HD   LYS  84          2HD       LYS  84  15.128  -5.599  -5.599
  612   2HD   LYS  84          1HD       LYS  84  16.824  -6.062  -6.062
  613   1HE   LYS  84          1HE       LYS  84  16.485  -5.112  -5.112
  614   2HE   LYS  84          2HE       LYS  84  17.633  -4.181  -4.181
  615   1HZ   LYS  84          3HZ       LYS  84  15.812  -2.669  -2.669
  616   2HZ   LYS  84          1HZ       LYS  84  14.840  -3.469  -3.469
  617   3HZ   LYS  84          2HZ       LYS  84  16.212  -2.707  -2.707
  618    H    GLU  85           HN       GLU  85  14.901  -6.076  -6.076
  619    HA   GLU  85           HA       GLU  85  16.668  -7.333  -7.333
  620   1HB   GLU  85          1HB       GLU  85  14.363  -8.007  -8.007
  621   2HB   GLU  85          2HB       GLU  85  13.783  -6.511  -6.511
  622   1HG   GLU  85          2HG       GLU  85  14.708  -7.136  -7.136
  623   2HG   GLU  85          1HG       GLU  85  15.428  -8.579  -8.579
  624    H    LYS  86           HN       LYS  86  14.915  -4.368  -4.368
  625    HA   LYS  86           HA       LYS  86  16.364  -4.176  -4.176
  626   1HB   LYS  86          2HB       LYS  86  14.116  -2.490  -2.490
  627   2HB   LYS  86          1HB       LYS  86  14.776  -2.384  -2.384
  628   1HG   LYS  86          2HG       LYS  86  14.098  -4.763  -4.763
  629   2HG   LYS  86          1HG       LYS  86  13.366  -4.798  -4.798
  630   1HD   LYS  86          1HD       LYS  86  11.818  -2.999  -2.999
  631   2HD   LYS  86          2HD       LYS  86  12.584  -2.828  -2.828
  632   1HE   LYS  86          1HE       LYS  86  10.497  -4.122  -4.122
  633   2HE   LYS  86          2HE       LYS  86  11.893  -5.118  -5.118
  634   1HZ   LYS  86          3HZ       LYS  86  10.573  -5.134  -5.134
  635   2HZ   LYS  86          2HZ       LYS  86  10.329  -6.234  -6.234
  636   3HZ   LYS  86          1HZ       LYS  86  11.799  -6.127  -6.127
  637    H    LEU  87           H        LEU  87  15.777  -2.159  -2.159
  638    HA   LEU  87           HA       LEU  87  17.429  -0.036  -0.036
  639   1HB   LEU  87          1HB       LEU  87  15.359   0.194   0.194
  640   2HB   LEU  87          2HB       LEU  87  16.262  -0.472  -0.472
  641    HG   LEU  87           HG       LEU  87  17.775   1.491   1.491
  642   1HD1  LEU  87          2HD2      LEU  87  16.005   2.441   2.441
  643   2HD1  LEU  87          1HD2      LEU  87  17.136   3.473   3.473
  644   3HD1  LEU  87          3HD2      LEU  87  17.756   2.131   2.131
  645   1HD2  LEU  87          1HD1      LEU  87  15.680   1.525   1.525
  646   2HD2  LEU  87          2HD1      LEU  87  16.156   3.137   3.137
  647   3HD2  LEU  87          3HD1      LEU  87  14.830   2.279   2.279
  648    H    ASP  88           HN       ASP  88  18.181  -2.865  -2.865
  649    HA   ASP  88           HA       ASP  88  19.855  -3.576  -3.576
  650   1HB   ASP  88          2HB       ASP  88  20.612  -3.821  -3.821
  651   2HB   ASP  88          1HB       ASP  88  21.226  -2.169  -2.169
  652    H    ASP  89           HN       ASP  89  18.821  -1.539  -1.539
  653    HA   ASP  89           HA       ASP  89  21.146  -0.183  -0.183
  654   1HB   ASP  89          2HB       ASP  89  19.955   1.584   1.584
  655   2HB   ASP  89          1HB       ASP  89  18.397   0.889   0.889
  656    H    LYS  90           HN       LYS  90  21.242  -0.566  -0.566
  657    HA   LYS  90           HA       LYS  90  19.859  -2.767  -2.767
  658   1HB   LYS  90          1HB       LYS  90  22.047  -0.724  -0.724
  659   2HB   LYS  90          2HB       LYS  90  21.270  -1.498  -1.498
  660   1HG   LYS  90          1HG       LYS  90  23.328  -2.717  -2.717
  661   2HG   LYS  90          2HG       LYS  90  21.881  -3.720  -3.720
  662   1HD   LYS  90          1HD       LYS  90  23.190  -4.167  -4.167
  663   2HD   LYS  90          2HD       LYS  90  21.739  -3.328  -3.328
  664   1HE   LYS  90          2HE       LYS  90  23.182  -1.164  -1.164
  665   2HE   LYS  90          1HE       LYS  90  24.569  -2.218  -2.218
  666   1HZ   LYS  90          2HZ       LYS  90  23.976  -3.375  -3.375
  667   2HZ   LYS  90          1HZ       LYS  90  22.743  -2.315  -2.315
  668   3HZ   LYS  90          3HZ       LYS  90  24.293  -1.782  -1.782
  669    H    LYS  91           HN       LYS  91  19.557   0.776   0.776
  670    HA   LYS  91           HA       LYS  91  17.476   0.727   0.727
  671   1HB   LYS  91          2HB       LYS  91  19.198   2.444   2.444
  672   2HB   LYS  91          1HB       LYS  91  18.882   2.930   2.930
  673   1HG   LYS  91          1HG       LYS  91  18.066   4.547   4.547
  674   2HG   LYS  91          2HG       LYS  91  16.786   3.928   3.928
  675   1HD   LYS  91          1HD       LYS  91  16.031   2.421   2.421
  676   2HD   LYS  91          2HD       LYS  91  17.383   2.991   2.991
  677   1HE   LYS  91          1HE       LYS  91  15.285   4.127   4.127
  678   2HE   LYS  91          2HE       LYS  91  16.455   5.288   5.288
  679   1HZ   LYS  91          1HZ       LYS  91  14.258   4.078   4.078
  680   2HZ   LYS  91          3HZ       LYS  91  14.243   5.593   5.593
  681   3HZ   LYS  91          2HZ       LYS  91  15.308   5.224   5.224
  682    H    ALA  92           H        ALA  92  17.243  -0.466  -0.466
  683    HA   ALA  92           HA       ALA  92  14.995   1.061   1.061
  684   1HB   ALA  92          1HB       ALA  92  16.546  -0.129  -0.129
  685   2HB   ALA  92          2HB       ALA  92  15.996  -1.672  -1.672
  686   3HB   ALA  92          3HB       ALA  92  14.875  -0.634  -0.634
  687    H    LYS  93           HN       LYS  93  14.030   0.928   0.928
  688    HA   LYS  93           HA       LYS  93  12.362  -1.523  -1.523
  689   1HB   LYS  93          2HB       LYS  93  13.058   0.823   0.823
  690   2HB   LYS  93          1HB       LYS  93  12.055  -0.575  -0.575
  691   1HG   LYS  93          2HG       LYS  93  13.973  -2.091  -2.091
  692   2HG   LYS  93          1HG       LYS  93  14.983  -0.737  -0.737
  693   1HD   LYS  93          1HD       LYS  93  15.478  -1.320  -1.320
  694   2HD   LYS  93          2HD       LYS  93  14.829   0.316   0.316
  695   1HE   LYS  93          2HE       LYS  93  13.936  -0.928  -0.928
  696   2HE   LYS  93          1HE       LYS  93  12.648  -0.430  -0.430
  697   1HZ   LYS  93          2HZ       LYS  93  13.864  -3.106  -3.106
  698   2HZ   LYS  93          1HZ       LYS  93  12.397  -2.685  -2.685
  699   3HZ   LYS  93          3HZ       LYS  93  12.639  -2.649  -2.649
  700    H    THR  94           H        THR  94  10.131  -0.604  -0.604
  701    HA   THR  94           HA       THR  94   9.084   1.779   1.779
  702    HB   THR  94           HB       THR  94   8.339   0.187   0.187
  703    HG1  THR  94           HG1      THR  94   6.129   0.071   0.071
  704   1HG2  THR  94          3HG2      THR  94   7.708  -1.723  -1.723
  705   2HG2  THR  94          2HG2      THR  94   7.273  -1.972  -1.972
  706   3HG2  THR  94          1HG2      THR  94   8.976  -1.936  -1.936
  707    H    GLY  95           H        GLY  95   7.345   2.577   2.577
  708   1HA   GLY  95          1HA       GLY  95   7.486   1.994   1.994
  709   2HA   GLY  95          2HA       GLY  95   6.230   2.934   2.934
  710    H    MET  96           H        MET  96   5.837   0.442   0.442
  711    HA   MET  96           HA       MET  96   3.599  -0.574  -0.574
  712   1HB   MET  96          2HB       MET  96   4.103  -0.305  -0.305
  713   2HB   MET  96          1HB       MET  96   5.106  -1.744  -1.744
  714   1HG   MET  96          1HG       MET  96   3.331  -3.181  -3.181
  715   2HG   MET  96          2HG       MET  96   2.318  -1.950  -1.950
  716   1HE   MET  96          2HE       MET  96   3.080  -3.985  -3.985
  717   2HE   MET  96          3HE       MET  96   1.457  -4.237  -4.237
  718   3HE   MET  96          1HE       MET  96   1.632  -3.556  -3.556
  719    H    ALA  97           H        ALA  97   4.591  -1.241  -1.241
  720    HA   ALA  97           HA       ALA  97   5.943  -3.807  -3.807
  721   1HB   ALA  97          2HB       ALA  97   6.158  -2.100  -2.100
  722   2HB   ALA  97          1HB       ALA  97   4.425  -2.245  -2.245
  723   3HB   ALA  97          3HB       ALA  97   5.516  -3.619  -3.619
  724    H    PHE  98           H        PHE  98   4.107  -4.457  -4.457
  725    HA   PHE  98           HA       PHE  98   2.389  -6.411  -6.411
  726   1HB   PHE  98          2HB       PHE  98   0.867  -4.559  -4.559
  727   2HB   PHE  98          1HB       PHE  98   1.292  -3.946  -3.946
  728    HD1  PHE  98           HD2      PHE  98  -0.462  -6.774  -6.774
  729    HD2  PHE  98           HD1      PHE  98   0.277  -4.750  -4.750
  730    HE1  PHE  98           HE2      PHE  98  -2.099  -8.250  -8.250
  731    HE2  PHE  98           HE1      PHE  98  -1.367  -6.219  -6.219
  732    HZ   PHE  98           HZ       PHE  98  -2.562  -7.974  -7.974
  733    H    LYS  99           HN       LYS  99   1.871  -8.050  -8.050
  734    HA   LYS  99           HA       LYS  99   2.151  -7.678  -7.678
  735   1HB   LYS  99          1HB       LYS  99   3.836  -9.446  -9.446
  736   2HB   LYS  99          2HB       LYS  99   4.478  -8.117  -8.117
  737   1HG   LYS  99          1HG       LYS  99   4.206  -9.432  -9.432
  738   2HG   LYS  99          2HG       LYS  99   3.596 -10.788 -10.788
  739   1HD   LYS  99          2HD       LYS  99   5.772 -10.767 -10.767
  740   2HD   LYS  99          1HD       LYS  99   6.348  -9.484  -9.484
  741   1HE   LYS  99          1HE       LYS  99   7.254 -11.584 -11.584
  742   2HE   LYS  99          2HE       LYS  99   6.072 -11.027 -11.027
  743   1HZ   LYS  99          1HZ       LYS  99   5.584 -13.029 -13.029
  744   2HZ   LYS  99          2HZ       LYS  99   5.858 -13.357 -13.357
  745   3HZ   LYS  99          3HZ       LYS  99   4.495 -12.550 -12.550
  746    H    LEU 100           H        LEU 100   1.756  -9.815  -9.815
  747    HA   LEU 100           HA       LEU 100   0.425 -11.892 -11.892
  748   1HB   LEU 100          2HB       LEU 100  -1.367 -10.196 -10.196
  749   2HB   LEU 100          1HB       LEU 100  -1.104 -10.230 -10.230
  750    HG   LEU 100           HG       LEU 100  -1.815 -12.625 -12.625
  751   1HD1  LEU 100          2HD2      LEU 100  -2.365 -12.190 -12.190
  752   2HD1  LEU 100          3HD2      LEU 100  -2.989 -13.548 -13.548
  753   3HD1  LEU 100          1HD2      LEU 100  -1.250 -13.380 -13.380
  754   1HD2  LEU 100          2HD1      LEU 100  -3.413 -10.771 -10.771
  755   2HD2  LEU 100          1HD1      LEU 100  -4.196 -12.182 -12.182
  756   3HD2  LEU 100          3HD1      LEU 100  -3.804 -10.762 -10.762
  757    H    ALA 101           H        ALA 101   1.089 -13.781 -13.781
  758    HA   ALA 101           HA       ALA 101   2.415 -13.789 -13.789
  759   1HB   ALA 101          3HB       ALA 101   3.315 -15.011 -15.011
  760   2HB   ALA 101          1HB       ALA 101   1.861 -16.033 -16.033
  761   3HB   ALA 101          2HB       ALA 101   2.956 -16.100 -16.100
  762    H    LYS 102           HN       LYS 102  -0.087 -13.015 -13.015
  763    HA   LYS 102           HA       LYS 102  -1.119 -14.410 -14.410
  764   1HB   LYS 102          1HB       LYS 102  -3.217 -15.430 -15.430
  765   2HB   LYS 102          2HB       LYS 102  -1.768 -16.305 -16.305
  766   1HG   LYS 102          1HG       LYS 102  -1.842 -15.168 -15.168
  767   2HG   LYS 102          2HG       LYS 102  -3.341 -14.387 -14.387
  768   1HD   LYS 102          2HD       LYS 102  -3.756 -16.360 -16.360
  769   2HD   LYS 102          1HD       LYS 102  -4.474 -16.532 -16.532
  770   1HE   LYS 102          2HE       LYS 102  -3.353 -18.608 -18.608
  771   2HE   LYS 102          1HE       LYS 102  -2.777 -18.107 -18.107
  772   1HZ   LYS 102          3HZ       LYS 102  -1.420 -17.524 -17.524
  773   2HZ   LYS 102          1HZ       LYS 102  -1.000 -18.713 -18.713
  774   3HZ   LYS 102          2HZ       LYS 102  -0.870 -17.136 -17.136
  775    H    GLY 103           H        GLY 103  -3.721 -13.587 -13.587
  776   1HA   GLY 103          1HA       GLY 103  -5.228 -11.851 -11.851
  777   2HA   GLY 103          2HA       GLY 103  -4.128 -11.136 -11.136
  778    H    GLY 104           H        GLY 104  -1.860 -10.613 -10.613
  779   1HA   GLY 104          1HA       GLY 104  -1.904  -8.281  -8.281
  780   2HA   GLY 104          2HA       GLY 104  -0.704  -9.515  -9.515
  781    H    GLU 105           HN       GLU 105  -2.041 -11.347 -11.347
  782    HA   GLU 105           HA       GLU 105  -2.244 -10.275 -10.275
  783   1HB   GLU 105          2HB       GLU 105  -3.147 -12.442 -12.442
  784   2HB   GLU 105          1HB       GLU 105  -1.692 -12.562 -12.562
  785   1HG   GLU 105          2HG       GLU 105  -4.531 -13.176 -13.176
  786   2HG   GLU 105          1HG       GLU 105  -3.342 -14.326 -14.326
  787    H    ASP 106           HN       ASP 106  -5.006 -11.383 -11.383
  788    HA   ASP 106           HA       ASP 106  -7.003 -10.419 -10.419
  789   1HB   ASP 106          2HB       ASP 106  -8.482 -10.668 -10.668
  790   2HB   ASP 106          1HB       ASP 106  -7.798 -12.123 -12.123
  791    H    VAL 107           H        VAL 107  -5.473  -9.062  -9.062
  792    HA   VAL 107           HA       VAL 107  -7.065  -6.727  -6.727
  793    HB   VAL 107           HB       VAL 107  -4.226  -7.341  -7.341
  794   1HG1  VAL 107          1HG2      VAL 107  -5.943  -4.886  -4.886
  795   2HG1  VAL 107          2HG2      VAL 107  -4.491  -5.377  -5.377
  796   3HG1  VAL 107          3HG2      VAL 107  -4.352  -4.912  -4.912
  797   1HG2  VAL 107          2HG1      VAL 107  -6.114  -8.603  -8.603
  798   2HG2  VAL 107          3HG1      VAL 107  -5.265  -7.498  -7.498
  799   3HG2  VAL 107          1HG1      VAL 107  -6.847  -7.049  -7.049
  800    H    ALA 108           H        ALA 108  -4.042  -7.355  -7.355
  801    HA   ALA 108           HA       ALA 108  -3.770  -4.741  -4.741
  802   1HB   ALA 108          2HB       ALA 108  -2.054  -6.481  -6.481
  803   2HB   ALA 108          3HB       ALA 108  -3.110  -7.390  -7.390
  804   3HB   ALA 108          1HB       ALA 108  -2.508  -5.791  -5.791
  805    H    ALA 109           H        ALA 109  -5.603  -7.524  -7.524
  806    HA   ALA 109           HA       ALA 109  -6.684  -6.139  -6.139
  807   1HB   ALA 109          2HB       ALA 109  -7.896  -8.420  -8.420
  808   2HB   ALA 109          1HB       ALA 109  -8.448  -7.870  -7.870
  809   3HB   ALA 109          3HB       ALA 109  -6.820  -8.545  -8.545
  810    H    TYR 110           H        TYR 110  -7.944  -6.457  -6.457
  811    HA   TYR 110           HA       TYR 110 -10.315  -4.953  -4.953
  812   1HB   TYR 110          1HB       TYR 110 -10.155  -6.085  -6.085
  813   2HB   TYR 110          2HB       TYR 110  -8.527  -5.541  -5.541
  814    HD1  TYR 110           HD1      TYR 110 -12.055  -4.288  -4.288
  815    HD2  TYR 110           HD2      TYR 110  -8.083  -3.639  -3.639
  816    HE1  TYR 110           HE1      TYR 110 -12.929  -2.549  -2.549
  817    HE2  TYR 110           HE2      TYR 110  -8.934  -1.789  -1.789
  818    HH   TYR 110           HH       TYR 110 -10.802  -0.911  -0.911
  819    H    LEU 111           H        LEU 111  -7.049  -3.771  -3.771
  820    HA   LEU 111           HA       LEU 111  -7.711  -1.036  -1.036
  821   1HB   LEU 111          1HB       LEU 111  -5.068  -2.400  -2.400
  822   2HB   LEU 111          2HB       LEU 111  -5.238  -0.662  -0.662
  823    HG   LEU 111           HG       LEU 111  -6.028  -2.750  -2.750
  824   1HD1  LEU 111          1HD2      LEU 111  -3.514  -1.051  -1.051
  825   2HD1  LEU 111          3HD2      LEU 111  -3.949  -2.097  -2.097
  826   3HD1  LEU 111          2HD2      LEU 111  -3.626  -2.813  -2.813
  827   1HD2  LEU 111          2HD1      LEU 111  -5.754   0.277   0.277
  828   2HD2  LEU 111          1HD1      LEU 111  -7.237  -0.665  -0.665
  829   3HD2  LEU 111          3HD1      LEU 111  -5.916  -0.774  -0.774
  830    H    ALA 112           H        ALA 112  -6.601  -2.971  -2.971
  831    HA   ALA 112           HA       ALA 112  -6.567  -0.745  -0.745
  832   1HB   ALA 112          1HB       ALA 112  -5.610  -2.942  -2.942
  833   2HB   ALA 112          3HB       ALA 112  -7.227  -3.665  -3.665
  834   3HB   ALA 112          2HB       ALA 112  -6.796  -2.420  -2.420
  835    H    SER 113           H        SER 113  -9.188  -3.170  -3.170
  836    HA   SER 113           HA       SER 113 -11.096  -1.922  -1.922
  837   1HB   SER 113          2HB       SER 113 -12.752  -3.309  -3.309
  838   2HB   SER 113          1HB       SER 113 -11.279  -4.226  -4.226
  839    HG   SER 113           HG       SER 113 -10.705  -3.475  -3.475
  840    H    VAL 114           H        VAL 114 -10.287  -1.165  -1.165
  841    HA   VAL 114           HA       VAL 114 -12.483   0.344   0.344
  842    HB   VAL 114           HB       VAL 114  -9.562   0.158   0.158
  843   1HG1  VAL 114          1HG2      VAL 114 -11.325   2.271   2.271
  844   2HG1  VAL 114          2HG2      VAL 114  -9.760   1.714   1.714
  845   3HG1  VAL 114          3HG2      VAL 114  -9.807   2.505   2.505
  846   1HG2  VAL 114          3HG1      VAL 114 -11.353  -1.428  -1.428
  847   2HG2  VAL 114          1HG1      VAL 114 -10.368  -0.608  -0.608
  848   3HG2  VAL 114          2HG1      VAL 114 -12.019  -0.047  -0.047
  849    H    VAL 115           H        VAL 115  -9.856   1.199   1.199
  850    HA   VAL 115           HA       VAL 115 -10.273   4.059   4.059
  851    HB   VAL 115           HB       VAL 115  -8.998   2.432   2.432
  852   1HG1  VAL 115          3HG1      VAL 115  -8.792   5.392   5.392
  853   2HG1  VAL 115          2HG1      VAL 115  -7.831   4.571   4.571
  854   3HG1  VAL 115          1HG1      VAL 115  -9.575   4.742   4.742
  855   1HG2  VAL 115          3HG2      VAL 115  -7.800   3.783   3.783
  856   2HG2  VAL 115          2HG2      VAL 115  -7.834   2.038   2.038
  857   3HG2  VAL 115          1HG2      VAL 115  -6.861   3.097   3.097
  858    H    LYS 116           HN       LYS 116 -12.535   4.194   4.194
  859    HA   LYS 116           HA       LYS 116 -13.774   4.318   4.318
  860   1HB   LYS 116          2HB       LYS 116 -15.763   3.281   3.281
  861   2HB   LYS 116          1HB       LYS 116 -14.452   2.218   2.218
  862   1HG   LYS 116          1HG       LYS 116 -14.587   3.614   3.614
  863   2HG   LYS 116          2HG       LYS 116 -16.121   4.188   4.188
  864   1HD   LYS 116          2HD       LYS 116 -16.783   2.379   2.379
  865   2HD   LYS 116          1HD       LYS 116 -16.700   1.645   1.645
  866   1HE   LYS 116          1HE       LYS 116 -14.341   0.894   0.894
  867   2HE   LYS 116          2HE       LYS 116 -14.554   1.567   1.567
  868   1HZ   LYS 116          3HZ       LYS 116 -16.357   0.029   0.029
  869   2HZ   LYS 116          1HZ       LYS 116 -16.157  -0.591  -0.591
  870   3HZ   LYS 116          2HZ       LYS 116 -14.971  -0.775  -0.775
  871    HHA  HEC 117           HHA      HEM 117   2.955   2.663   2.663
  872    HHB  HEC 117           HHB      HEM 117  -0.874  -1.735  -1.735
  873    HHC  HEC 117           HHC      HEM 117  -2.713  -3.530  -3.530
  874    HHD  HEC 117           HHD      HEM 117   1.380   0.708   0.708
  875   1HMA  HEC 117          1HMA      HEM 117   1.332   0.581   0.581
  876   2HMA  HEC 117          2HMA      HEM 117  -0.102  -0.368  -0.368
  877   3HMA  HEC 117          3HMA      HEM 117   1.506  -1.139  -1.139
  878   1HAA  HEC 117          1HAA      HEM 117   4.027   1.559   1.559
  879   2HAA  HEC 117          2HAA      HEM 117   3.262   1.263   1.263
  880   1HBA  HEC 117          1HBA      HEM 117   2.689   3.721   3.721
  881   2HBA  HEC 117          2HBA      HEM 117   3.902   3.622   3.622
  882   1HMB  HEC 117          1HMB      HEM 117  -2.663  -4.153  -4.153
  883   2HMB  HEC 117          2HMB      HEM 117  -4.141  -3.291  -3.291
  884   3HMB  HEC 117          3HMB      HEM 117  -2.889  -2.421  -2.421
  885    HAB  HEC 117           HAB      HEM 117  -3.856  -4.607  -4.607
  886   1HBB  HEC 117          1HBB      HEM 117  -5.160  -5.885  -5.885
  887   2HBB  HEC 117          2HBB      HEM 117  -5.255  -4.701  -4.701
  888   3HBB  HEC 117          3HBB      HEM 117  -3.764  -5.665  -5.665
  889   1HMC  HEC 117          1HMC      HEM 117  -2.440  -4.144  -4.144
  890   2HMC  HEC 117          2HMC      HEM 117  -3.198  -2.774  -2.774
  891   3HMC  HEC 117          3HMC      HEM 117  -1.789  -3.594  -3.594
  892    HAC  HEC 117           HAC      HEM 117  -0.843  -1.824  -1.824
  893   1HBC  HEC 117          1HBC      HEM 117   1.458  -0.727  -0.727
  894   2HBC  HEC 117          2HBC      HEM 117   0.434  -0.356  -0.356
  895   3HBC  HEC 117          3HBC      HEM 117   0.553   0.825   0.825
  896   1HMD  HEC 117          1HMD      HEM 117   2.101   3.354   3.354
  897   2HMD  HEC 117          2HMD      HEM 117   3.769   3.498   3.498
  898   3HMD  HEC 117          3HMD      HEM 117   3.238   2.007   2.007
  899   1HAD  HEC 117          1HAD      HEM 117   3.439   4.345   4.345
  900   2HAD  HEC 117          2HAD      HEM 117   3.858   4.489   4.489
  901   1HBD  HEC 117          1HBD      HEM 117   5.207   2.717   2.717
  902   2HBD  HEC 117          2HBD      HEM 117   5.409   2.494   2.494

  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  -6.150 -12.694 -12.694
    2   2H    GLY   1          2H        GLY   1  -7.452 -11.912 -11.912
    3   1HA   GLY   1          1HA       GLY   1  -7.168 -12.393 -12.393
    4   2HA   GLY   1          2HA       GLY   1  -6.870 -10.820 -10.820
    5    H    ASP   2           HN       ASP   2  -9.162 -12.400 -12.400
    6    HA   ASP   2           HA       ASP   2 -11.543 -11.573 -11.573
    7   1HB   ASP   2          1HB       ASP   2 -11.565 -13.785 -13.785
    8   2HB   ASP   2          2HB       ASP   2 -11.310 -13.018 -13.018
    9    H    ALA   3           H        ALA   3 -11.537  -9.429  -9.429
   10    HA   ALA   3           HA       ALA   3 -10.880  -7.616  -7.616
   11   1HB   ALA   3          3HB       ALA   3 -13.345  -7.576  -7.576
   12   2HB   ALA   3          1HB       ALA   3 -12.642  -6.157  -6.157
   13   3HB   ALA   3          2HB       ALA   3 -11.709  -7.025  -7.025
   14    H    ALA   4           H        ALA   4 -13.752  -9.770  -9.770
   15    HA   ALA   4           HA       ALA   4 -15.042  -8.266  -8.266
   16   1HB   ALA   4          3HB       ALA   4 -16.254  -9.884  -9.884
   17   2HB   ALA   4          2HB       ALA   4 -15.318 -11.214 -11.214
   18   3HB   ALA   4          1HB       ALA   4 -16.410 -10.251 -10.251
   19    H    LYS   5           HN       LYS   5 -12.749 -11.017 -11.017
   20    HA   LYS   5           HA       LYS   5 -12.665 -11.452 -11.452
   21   1HB   LYS   5          1HB       LYS   5 -10.707 -12.231 -12.231
   22   2HB   LYS   5          2HB       LYS   5 -10.603 -12.727 -12.727
   23   1HG   LYS   5          1HG       LYS   5 -12.816 -13.844 -13.844
   24   2HG   LYS   5          2HG       LYS   5 -12.910 -13.371 -13.371
   25   1HD   LYS   5          1HD       LYS   5 -10.742 -14.622 -14.622
   26   2HD   LYS   5          2HD       LYS   5 -10.801 -15.176 -15.176
   27   1HE   LYS   5          1HE       LYS   5 -12.998 -16.270 -16.270
   28   2HE   LYS   5          2HE       LYS   5 -12.944 -15.695 -15.695
   29   1HZ   LYS   5          2HZ       LYS   5 -10.963 -16.980 -16.980
   30   2HZ   LYS   5          1HZ       LYS   5 -11.009 -17.521 -17.521
   31   3HZ   LYS   5          3HZ       LYS   5 -12.204 -17.941 -17.941
   32    H    GLY   6           H        GLY   6 -10.871  -9.561  -9.561
   33   1HA   GLY   6          1HA       GLY   6  -8.835  -8.498  -8.498
   34   2HA   GLY   6          2HA       GLY   6  -9.565  -7.685  -7.685
   35    H    GLU   7           HN       GLU   7 -12.107  -7.162  -7.162
   36    HA   GLU   7           HA       GLU   7 -12.001  -4.893  -4.893
   37   1HB   GLU   7          2HB       GLU   7 -13.766  -5.451  -5.451
   38   2HB   GLU   7          1HB       GLU   7 -14.430  -6.663  -6.663
   39   1HG   GLU   7          2HG       GLU   7 -14.161  -3.705  -3.705
   40   2HG   GLU   7          1HG       GLU   7 -15.601  -4.413  -4.413
   41    H    LYS   8           HN       LYS   8 -13.236  -8.181  -8.181
   42    HA   LYS   8           HA       LYS   8 -13.790  -7.619  -7.619
   43   1HB   LYS   8          1HB       LYS   8 -12.996 -10.221 -10.221
   44   2HB   LYS   8          2HB       LYS   8 -13.588 -10.094 -10.094
   45   1HG   LYS   8          1HG       LYS   8 -15.716  -9.169  -9.169
   46   2HG   LYS   8          2HG       LYS   8 -15.150  -9.049  -9.049
   47   1HD   LYS   8          2HD       LYS   8 -16.599 -10.960 -10.960
   48   2HD   LYS   8          1HD       LYS   8 -14.953 -11.500 -11.500
   49   1HE   LYS   8          2HE       LYS   8 -14.605 -12.136 -12.136
   50   2HE   LYS   8          1HE       LYS   8 -16.187 -11.460 -11.460
   51   1HZ   LYS   8          3HZ       LYS   8 -15.727 -13.723 -13.723
   52   2HZ   LYS   8          2HZ       LYS   8 -16.256 -13.819 -13.819
   53   3HZ   LYS   8          1HZ       LYS   8 -17.199 -13.104 -13.104
   54    H    GLU   9           HN       GLU   9 -10.822  -8.960  -8.960
   55    HA   GLU   9           HA       GLU   9  -9.307  -9.251  -9.251
   56   1HB   GLU   9          1HB       GLU   9  -8.802 -10.200 -10.200
   57   2HB   GLU   9          2HB       GLU   9  -8.323  -8.580  -8.580
   58   1HG   GLU   9          2HG       GLU   9  -6.342  -9.817  -9.817
   59   2HG   GLU   9          1HG       GLU   9  -6.542  -8.618  -8.618
   60    H    PHE  10           H        PHE  10  -9.920  -6.377  -6.377
   61    HA   PHE  10           HA       PHE  10  -7.973  -4.698  -4.698
   62   1HB   PHE  10          1HB       PHE  10  -9.755  -4.328  -4.328
   63   2HB   PHE  10          2HB       PHE  10 -10.704  -3.593  -3.593
   64    HD1  PHE  10           HD1      PHE  10  -7.583  -3.399  -3.399
   65    HD2  PHE  10           HD2      PHE  10  -9.878  -1.527  -1.527
   66    HE1  PHE  10           HE1      PHE  10  -6.059  -1.450  -1.450
   67    HE2  PHE  10           HE2      PHE  10  -8.353   0.442   0.442
   68    HZ   PHE  10           HZ       PHE  10  -6.452   0.486   0.486
   69    H    ASN  11           H        ASN  11 -10.718  -6.037  -6.037
   70    HA   ASN  11           HA       ASN  11 -11.159  -4.223  -4.223
   71   1HB   ASN  11          1HB       ASN  11 -12.458  -6.292  -6.292
   72   2HB   ASN  11          2HB       ASN  11 -11.021  -7.262  -7.262
   73   1HD2  ASN  11          1HD2      ASN  11 -12.950  -5.256  -5.256
   74   2HD2  ASN  11          2HD2      ASN  11 -13.087  -4.636  -4.636
   75    H    LYS  12           HN       LYS  12  -8.310  -6.249  -6.249
   76    HA   LYS  12           HA       LYS  12  -7.126  -5.802  -5.802
   77   1HB   LYS  12          1HB       LYS  12  -5.809  -6.780  -6.780
   78   2HB   LYS  12          2HB       LYS  12  -5.197  -6.908  -6.908
   79   1HG   LYS  12          2HG       LYS  12  -7.596  -8.387  -8.387
   80   2HG   LYS  12          1HG       LYS  12  -6.002  -9.023  -9.023
   81   1HD   LYS  12          1HD       LYS  12  -7.122  -9.820  -9.820
   82   2HD   LYS  12          2HD       LYS  12  -6.502  -8.316  -8.316
   83   1HE   LYS  12          1HE       LYS  12  -8.728  -7.259  -7.259
   84   2HE   LYS  12          2HE       LYS  12  -9.294  -8.676  -8.676
   85   1HZ   LYS  12          3HZ       LYS  12  -8.523  -8.616  -8.616
   86   2HZ   LYS  12          2HZ       LYS  12 -10.057  -8.625  -8.625
   87   3HZ   LYS  12          1HZ       LYS  12  -9.078  -9.936  -9.936
   88    H    CYS  13           H        CYS  13  -6.467  -4.752  -4.752
   89    HA   CYS  13           HA       CYS  13  -4.413  -2.961  -2.961
   90   1HB   CYS  13          1HB       CYS  13  -6.659  -2.511  -2.511
   91   2HB   CYS  13          2HB       CYS  13  -5.000  -1.909  -1.909
   92    H    LYS  14           HN       LYS  14  -7.903  -2.244  -2.244
   93    HA   LYS  14           HA       LYS  14  -7.817   0.488   0.488
   94   1HB   LYS  14          2HB       LYS  14 -10.016   0.374   0.374
   95   2HB   LYS  14          1HB       LYS  14  -9.822  -0.967  -0.967
   96   1HG   LYS  14          1HG       LYS  14 -10.806  -2.129  -2.129
   97   2HG   LYS  14          2HG       LYS  14  -9.126  -2.268  -2.268
   98   1HD   LYS  14          1HD       LYS  14  -9.541  -0.294  -0.294
   99   2HD   LYS  14          2HD       LYS  14 -11.200  -0.235  -0.235
  100   1HE   LYS  14          1HE       LYS  14 -11.041  -1.398  -1.398
  101   2HE   LYS  14          2HE       LYS  14 -11.620  -2.498  -2.498
  102   1HZ   LYS  14          3HZ       LYS  14  -8.821  -2.364  -2.364
  103   2HZ   LYS  14          2HZ       LYS  14  -9.939  -3.456  -3.456
  104   3HZ   LYS  14          1HZ       LYS  14  -9.473  -3.447  -3.447
  105    H    THR  15           H        THR  15  -6.705  -1.865  -1.865
  106    HA   THR  15           HA       THR  15  -7.056  -0.384  -0.384
  107    HB   THR  15           HB       THR  15  -4.829  -2.354  -2.354
  108    HG1  THR  15           HG1      THR  15  -6.659  -3.412  -3.412
  109   1HG2  THR  15          3HG2      THR  15  -6.192  -1.596  -1.596
  110   2HG2  THR  15          1HG2      THR  15  -5.023  -2.915  -2.915
  111   3HG2  THR  15          2HG2      THR  15  -4.509  -1.237  -1.237
  112    H    CYS  16           H        CYS  16  -4.825  -0.003  -0.003
  113    HA   CYS  16           HA       CYS  16  -3.490   2.235   2.235
  114   1HB   CYS  16          1HB       CYS  16  -2.325   0.322   0.322
  115   2HB   CYS  16          2HB       CYS  16  -1.546   1.832   1.832
  116    H    HIS  17           HN       HIS  17  -4.683   1.011   1.011
  117    HA   HIS  17           HA       HIS  17  -4.250   3.672   3.672
  118   1HB   HIS  17          2HB       HIS  17  -5.198   1.026   1.026
  119   2HB   HIS  17          1HB       HIS  17  -4.830   2.449   2.449
  120    HD1  HIS  17           HD1      HIS  17  -2.470   3.366   3.366
  121    HD2  HIS  17           HD2      HIS  17  -2.696  -0.421  -0.421
  122    HE1  HIS  17           HE1      HIS  17  -0.177   2.329   2.329
  123    H    SER  18           H        SER  18  -5.953   4.024   4.024
  124    HA   SER  18           HA       SER  18  -8.766   3.573   3.573
  125   1HB   SER  18          1HB       SER  18  -7.449   6.327   6.327
  126   2HB   SER  18          2HB       SER  18  -9.183   6.098   6.098
  127    HG   SER  18           HG       SER  18  -7.733   5.222   5.222
  128    H    ILE  19           H        ILE  19 -10.209   4.515   4.515
  129    HA   ILE  19           HA       ILE  19  -8.976   4.828   4.828
  130    HB   ILE  19           HB       ILE  19 -11.297   2.990   2.990
  131   1HG1  ILE  19          1HG1      ILE  19  -9.181   1.867   1.867
  132   2HG1  ILE  19          2HG1      ILE  19  -9.995   1.164   1.164
  133   1HG2  ILE  19          2HG2      ILE  19 -11.576   4.162   4.162
  134   2HG2  ILE  19          3HG2      ILE  19 -10.015   3.494   3.494
  135   3HG2  ILE  19          1HG2      ILE  19 -11.378   2.413   2.413
  136   1HD1  ILE  19          2HD1      ILE  19  -7.607   3.022   3.022
  137   2HD1  ILE  19          1HD1      ILE  19  -7.558   1.254   1.254
  138   3HD1  ILE  19          3HD1      ILE  19  -8.381   2.117   2.117
  139    H    ILE  20           H        ILE  20  -9.711   6.733   6.733
  140    HA   ILE  20           HA       ILE  20 -12.362   7.790   7.790
  141    HB   ILE  20           HB       ILE  20 -10.275   9.000   9.000
  142   1HG1  ILE  20          2HG1      ILE  20 -11.060  11.291  11.291
  143   2HG1  ILE  20          1HG1      ILE  20 -12.279  10.518  10.518
  144   1HG2  ILE  20          1HG2      ILE  20  -8.960   8.804   8.804
  145   2HG2  ILE  20          3HG2      ILE  20 -10.033  10.068  10.068
  146   3HG2  ILE  20          2HG2      ILE  20  -9.006  10.412  10.412
  147   1HD1  ILE  20          2HD1      ILE  20 -11.965   9.883   9.883
  148   2HD1  ILE  20          3HD1      ILE  20 -12.959  11.227  11.227
  149   3HD1  ILE  20          1HD1      ILE  20 -13.365   9.573   9.573
  150    H    ALA  21           H        ALA  21 -13.805   8.108   8.108
  151    HA   ALA  21           HA       ALA  21 -13.019   7.401   7.401
  152   1HB   ALA  21          3HB       ALA  21 -15.340   7.180   7.180
  153   2HB   ALA  21          1HB       ALA  21 -15.460   8.953   8.953
  154   3HB   ALA  21          2HB       ALA  21 -15.311   8.104   8.104
  155    HA   PRO  22           HA       PRO  22 -11.495  11.311  11.311
  156   1HB   PRO  22          1HB       PRO  22 -13.654  11.345  11.345
  157   2HB   PRO  22          2HB       PRO  22 -11.892  11.561  11.561
  158   1HG   PRO  22          2HG       PRO  22 -13.029   9.193   9.193
  159   2HG   PRO  22          1HG       PRO  22 -11.517   9.196   9.196
  160   1HD   PRO  22          1HD       PRO  22 -14.357   8.974   8.974
  161   2HD   PRO  22          2HD       PRO  22 -12.984   7.904   7.904
  162    H    ASP  23           HN       ASP  23 -15.027  11.035  11.035
  163    HA   ASP  23           HA       ASP  23 -15.678  13.734  13.734
  164   1HB   ASP  23          1HB       ASP  23 -17.302  11.284  11.284
  165   2HB   ASP  23          2HB       ASP  23 -17.909  12.883  12.883
  166    H    GLY  24           H        GLY  24 -13.883  11.955  11.955
  167   1HA   GLY  24          1HA       GLY  24 -13.464  12.483  12.483
  168   2HA   GLY  24          2HA       GLY  24 -14.815  13.610  13.610
  169    H    THR  25           H        THR  25 -16.105  10.735  10.735
  170    HA   THR  25           HA       THR  25 -17.488  10.162  10.162
  171    HB   THR  25           HB       THR  25 -17.283   8.246   8.246
  172    HG1  THR  25           HG1      THR  25 -18.538  10.787  10.787
  173   1HG2  THR  25          1HG2      THR  25 -18.777   7.681   7.681
  174   2HG2  THR  25          2HG2      THR  25 -19.624   9.233   9.233
  175   3HG2  THR  25          3HG2      THR  25 -19.686   8.008   8.008
  176    H    GLU  26           HN       GLU  26 -16.561   9.134   9.134
  177    HA   GLU  26           HA       GLU  26 -14.096   7.657   7.657
  178   1HB   GLU  26          2HB       GLU  26 -16.195   7.670   7.670
  179   2HB   GLU  26          1HB       GLU  26 -14.527   7.075   7.075
  180   1HG   GLU  26          2HG       GLU  26 -13.682   9.363   9.363
  181   2HG   GLU  26          1HG       GLU  26 -15.343   9.979   9.979
  182    H    ILE  27           H        ILE  27 -13.990   5.809   5.809
  183    HA   ILE  27           HA       ILE  27 -16.270   3.923   3.923
  184    HB   ILE  27           HB       ILE  27 -13.451   3.638   3.638
  185   1HG1  ILE  27          2HG1      ILE  27 -14.425   5.509   5.509
  186   2HG1  ILE  27          1HG1      ILE  27 -14.429   4.119   4.119
  187   1HG2  ILE  27          2HG2      ILE  27 -15.971   2.017   2.017
  188   2HG2  ILE  27          3HG2      ILE  27 -14.455   1.868   1.868
  189   3HG2  ILE  27          1HG2      ILE  27 -14.496   1.474   1.474
  190   1HD1  ILE  27          2HD1      ILE  27 -16.875   3.752   3.752
  191   2HD1  ILE  27          3HD1      ILE  27 -16.823   5.265   5.265
  192   3HD1  ILE  27          1HD1      ILE  27 -16.536   5.283   5.283
  193    H    VAL  28           H        VAL  28 -12.947   4.209   4.209
  194    HA   VAL  28           HA       VAL  28 -13.708   2.314   2.314
  195    HB   VAL  28           HB       VAL  28 -10.995   2.314   2.314
  196   1HG1  VAL  28          2HG1      VAL  28 -12.147   0.710   0.710
  197   2HG1  VAL  28          3HG1      VAL  28 -10.578   0.443   0.443
  198   3HG1  VAL  28          1HG1      VAL  28 -10.863   1.934   1.934
  199   1HG2  VAL  28          3HG2      VAL  28 -13.256   0.260   0.260
  200   2HG2  VAL  28          1HG2      VAL  28 -12.689   1.147   1.147
  201   3HG2  VAL  28          2HG2      VAL  28 -11.625  -0.025  -0.025
  202    H    LYS  29           HN       LYS  29 -14.154   3.851   3.851
  203    HA   LYS  29           HA       LYS  29 -12.426   6.136   6.136
  204   1HB   LYS  29          2HB       LYS  29 -14.066   6.478   6.478
  205   2HB   LYS  29          1HB       LYS  29 -14.788   6.461   6.461
  206   1HG   LYS  29          2HG       LYS  29 -14.899   3.748   3.748
  207   2HG   LYS  29          1HG       LYS  29 -15.471   4.918   4.918
  208   1HD   LYS  29          1HD       LYS  29 -17.392   4.231   4.231
  209   2HD   LYS  29          2HD       LYS  29 -17.020   5.894   5.894
  210   1HE   LYS  29          2HE       LYS  29 -17.595   4.727   4.727
  211   2HE   LYS  29          1HE       LYS  29 -15.858   4.992   4.992
  212   1HZ   LYS  29          2HZ       LYS  29 -15.634   2.688   2.688
  213   2HZ   LYS  29          3HZ       LYS  29 -17.265   2.513   2.513
  214   3HZ   LYS  29          1HZ       LYS  29 -16.365   2.791   2.791
  215    H    GLY  30           H        GLY  30 -10.625   4.392   4.392
  216   1HA   GLY  30          1HA       GLY  30 -10.556   2.755   2.755
  217   2HA   GLY  30          2HA       GLY  30  -9.405   2.764   2.764
  218    H    ALA  31           H        ALA  31  -7.738   2.970   2.970
  219    HA   ALA  31           HA       ALA  31  -7.575   5.505   5.505
  220   1HB   ALA  31          3HB       ALA  31  -6.782   3.350   3.350
  221   2HB   ALA  31          1HB       ALA  31  -5.574   3.254   3.254
  222   3HB   ALA  31          2HB       ALA  31  -5.496   4.568   4.568
  223    H    LYS  32           HN       LYS  32  -5.237   6.529   6.529
  224    HA   LYS  32           HA       LYS  32  -4.456   6.754   6.754
  225   1HB   LYS  32          2HB       LYS  32  -4.770   9.090   9.090
  226   2HB   LYS  32          1HB       LYS  32  -4.113   9.136   9.136
  227   1HG   LYS  32          1HG       LYS  32  -6.215   9.781   9.781
  228   2HG   LYS  32          2HG       LYS  32  -6.447   8.036   8.036
  229   1HD   LYS  32          2HD       LYS  32  -7.379   8.050   8.050
  230   2HD   LYS  32          1HD       LYS  32  -7.110   9.796   9.796
  231   1HE   LYS  32          2HE       LYS  32  -9.429   9.414   9.414
  232   2HE   LYS  32          1HE       LYS  32  -8.667  10.026  10.026
  233   1HZ   LYS  32          3HZ       LYS  32  -8.559   7.712   7.712
  234   2HZ   LYS  32          1HZ       LYS  32  -9.300   7.215   7.215
  235   3HZ   LYS  32          2HZ       LYS  32 -10.103   8.184   8.184
  236    H    THR  33           H        THR  33  -3.462   5.034   5.034
  237    HA   THR  33           HA       THR  33  -1.032   6.156   6.156
  238    HB   THR  33           HB       THR  33  -1.471   3.216   3.216
  239    HG1  THR  33           HG1      THR  33  -2.911   3.184   3.184
  240   1HG2  THR  33          2HG2      THR  33   0.544   4.028   4.028
  241   2HG2  THR  33          3HG2      THR  33  -0.498   4.813   4.813
  242   3HG2  THR  33          1HG2      THR  33  -0.496   3.044   3.044
  243    H    GLY  34           H        GLY  34  -2.128   4.402   4.402
  244   1HA   GLY  34          1HA       GLY  34   0.534   4.763   4.763
  245   2HA   GLY  34          2HA       GLY  34  -0.615   3.469   3.469
  246    HA   PRO  35           HA       PRO  35  -1.500   7.529   7.529
  247   1HB   PRO  35          2HB       PRO  35  -0.883   6.585   6.585
  248   2HB   PRO  35          1HB       PRO  35   0.320   7.310   7.310
  249   1HG   PRO  35          1HG       PRO  35  -0.307   4.376   4.376
  250   2HG   PRO  35          2HG       PRO  35   1.285   5.179   5.179
  251   1HD   PRO  35          2HD       PRO  35   0.609   4.058   4.058
  252   2HD   PRO  35          1HD       PRO  35   1.280   5.700   5.700
  253    H    ASN  36           H        ASN  36  -3.038   7.628   7.628
  254    HA   ASN  36           HA       ASN  36  -5.292   5.783   5.783
  255   1HB   ASN  36          2HB       ASN  36  -5.675   8.243   8.243
  256   2HB   ASN  36          1HB       ASN  36  -5.102   8.270   8.270
  257   1HD2  ASN  36          2HD2      ASN  36  -8.934   7.475   7.475
  258   2HD2  ASN  36          1HD2      ASN  36  -7.874   8.327   8.327
  259    H    LEU  37           H        LEU  37  -5.459   4.055   4.055
  260    HA   LEU  37           HA       LEU  37  -3.466   3.866   3.866
  261   1HB   LEU  37          2HB       LEU  37  -5.310   1.761   1.761
  262   2HB   LEU  37          1HB       LEU  37  -4.066   1.487   1.487
  263    HG   LEU  37           HG       LEU  37  -3.609   2.401   2.401
  264   1HD1  LEU  37          1HD1      LEU  37  -4.201   0.013   0.013
  265   2HD1  LEU  37          2HD1      LEU  37  -2.913  -0.186  -0.186
  266   3HD1  LEU  37          3HD1      LEU  37  -2.511   0.202   0.202
  267   1HD2  LEU  37          2HD2      LEU  37  -1.654   1.989   1.989
  268   2HD2  LEU  37          1HD2      LEU  37  -1.873   3.450   3.450
  269   3HD2  LEU  37          3HD2      LEU  37  -1.156   2.000   2.000
  270    H    TYR  38           H        TYR  38  -6.524   5.156   5.156
  271    HA   TYR  38           HA       TYR  38  -7.764   3.851   3.851
  272   1HB   TYR  38          2HB       TYR  38  -8.908   5.482   5.482
  273   2HB   TYR  38          1HB       TYR  38  -7.887   6.783   6.783
  274    HD1  TYR  38           HD2      TYR  38  -8.156   7.636   7.636
  275    HD2  TYR  38           HD1      TYR  38 -10.813   4.660   4.660
  276    HE1  TYR  38           HE2      TYR  38  -9.455   7.639   7.639
  277    HE2  TYR  38           HE1      TYR  38 -12.193   4.792   4.792
  278    HH   TYR  38           HH       TYR  38 -11.316   6.703   6.703
  279    H    GLY  39           H        GLY  39  -6.383   3.318   3.318
  280   1HA   GLY  39          1HA       GLY  39  -5.588   3.771   3.771
  281   2HA   GLY  39          2HA       GLY  39  -5.647   5.512   5.512
  282    H    VAL  40           H        VAL  40  -4.013   3.176   3.176
  283    HA   VAL  40           HA       VAL  40  -1.446   4.368   4.368
  284    HB   VAL  40           HB       VAL  40  -1.767   3.202   3.202
  285   1HG1  VAL  40          2HG1      VAL  40  -1.986   0.618   0.618
  286   2HG1  VAL  40          3HG1      VAL  40  -1.857   0.751   0.751
  287   3HG1  VAL  40          1HG1      VAL  40  -3.298   1.368   1.368
  288   1HG2  VAL  40          3HG2      VAL  40   0.524   3.259   3.259
  289   2HG2  VAL  40          2HG2      VAL  40   0.311   1.933   1.933
  290   3HG2  VAL  40          1HG2      VAL  40   0.226   1.605   1.605
  291    H    VAL  41           H        VAL  41  -3.259   1.804   1.804
  292    HA   VAL  41           HA       VAL  41  -1.262   0.525   0.525
  293    HB   VAL  41           HB       VAL  41  -4.136   1.117   1.117
  294   1HG1  VAL  41          1HG1      VAL  41  -2.179  -1.021  -1.021
  295   2HG1  VAL  41          2HG1      VAL  41  -3.903  -0.942  -0.942
  296   3HG1  VAL  41          3HG1      VAL  41  -2.808   0.333   0.333
  297   1HG2  VAL  41          1HG2      VAL  41  -2.948  -1.286  -1.286
  298   2HG2  VAL  41          3HG2      VAL  41  -4.024  -0.075  -0.075
  299   3HG2  VAL  41          2HG2      VAL  41  -4.622  -1.134  -1.134
  300    H    GLY  42           H        GLY  42   0.228   1.406   1.406
  301   1HA   GLY  42          1HA       GLY  42   1.015   2.343   2.343
  302   2HA   GLY  42          2HA       GLY  42  -0.475   3.274   3.274
  303    H    ARG  43           HN       ARG  43   0.215   3.812   3.812
  304    HA   ARG  43           HA       ARG  43   1.351   6.435   6.435
  305   1HB   ARG  43          2HB       ARG  43  -0.533   5.536   5.536
  306   2HB   ARG  43          1HB       ARG  43   0.914   5.643   5.643
  307   1HG   ARG  43          1HG       ARG  43   0.023   7.753   7.753
  308   2HG   ARG  43          2HG       ARG  43   1.124   8.062   8.062
  309   1HD   ARG  43          1HD       ARG  43  -1.902   7.561   7.561
  310   2HD   ARG  43          2HD       ARG  43  -1.075   9.086   9.086
  311    HE   ARG  43           HE       ARG  43  -0.268   8.410   8.410
  312   1HH1  ARG  43          2HH1      ARG  43  -2.350   5.857   5.857
  313   2HH1  ARG  43          1HH1      ARG  43  -2.395   4.942   4.942
  314   1HH2  ARG  43          1HH2      ARG  43  -0.433   7.236   7.236
  315   2HH2  ARG  43          2HH2      ARG  43  -1.445   5.820   5.820
  316    H    THR  44           H        THR  44   3.343   7.224   7.224
  317    HA   THR  44           HA       THR  44   5.461   5.369   5.369
  318    HB   THR  44           HB       THR  44   5.397   8.301   8.301
  319    HG1  THR  44           HG1      THR  44   5.758   7.077   7.077
  320   1HG2  THR  44          3HG2      THR  44   7.642   6.476   6.476
  321   2HG2  THR  44          1HG2      THR  44   7.781   8.225   8.225
  322   3HG2  THR  44          2HG2      THR  44   7.474   7.144   7.144
  323    H    ALA  45           H        ALA  45   6.346   4.422   4.422
  324    HA   ALA  45           HA       ALA  45   4.828   4.414   4.414
  325   1HB   ALA  45          1HB       ALA  45   6.416   2.640   2.640
  326   2HB   ALA  45          2HB       ALA  45   7.778   3.751   3.751
  327   3HB   ALA  45          3HB       ALA  45   6.739   3.225   3.225
  328    H    GLY  46           H        GLY  46   5.021   5.444   5.444
  329   1HA   GLY  46          1HA       GLY  46   5.503   7.088   7.088
  330   2HA   GLY  46          2HA       GLY  46   7.101   7.211   7.211
  331    H    THR  47           H        THR  47   4.066   7.873   7.873
  332    HA   THR  47           HA       THR  47   4.627  10.812  10.812
  333    HB   THR  47           HB       THR  47   4.205  11.142  11.142
  334    HG1  THR  47           HG1      THR  47   3.965   8.319   8.319
  335   1HG2  THR  47          1HG2      THR  47   6.543  10.630  10.630
  336   2HG2  THR  47          3HG2      THR  47   6.286   8.937   8.937
  337   3HG2  THR  47          2HG2      THR  47   6.207  10.218  10.218
  338    H    TYR  48           H        TYR  48   2.232   8.590   8.590
  339    HA   TYR  48           HA       TYR  48   0.013   9.997   9.997
  340   1HB   TYR  48          2HB       TYR  48   0.108   7.616   7.616
  341   2HB   TYR  48          1HB       TYR  48  -0.290   8.507   8.507
  342    HD1  TYR  48           HD2      TYR  48  -2.417   9.832   9.832
  343    HD2  TYR  48           HD1      TYR  48  -1.520   7.305   7.305
  344    HE1  TYR  48           HE2      TYR  48  -4.773   9.975   9.975
  345    HE2  TYR  48           HE1      TYR  48  -3.858   7.439   7.439
  346    HH   TYR  48           HH       TYR  48  -6.006   8.004   8.004
  347    HA   PRO  49           HA       PRO  49   0.782  13.619  13.619
  348   1HB   PRO  49          1HB       PRO  49  -1.643  14.963  14.963
  349   2HB   PRO  49          2HB       PRO  49  -0.468  14.843  14.843
  350   1HG   PRO  49          1HG       PRO  49  -2.884  13.082  13.082
  351   2HG   PRO  49          2HG       PRO  49  -2.434  13.917  13.917
  352   1HD   PRO  49          1HD       PRO  49  -1.815  11.330  11.330
  353   2HD   PRO  49          2HD       PRO  49  -0.593  12.415  12.415
  354    H    GLU  50           HN       GLU  50   0.209  14.777  14.777
  355    HA   GLU  50           HA       GLU  50  -0.132  14.880  14.880
  356   1HB   GLU  50          1HB       GLU  50  -2.787  13.558  13.558
  357   2HB   GLU  50          2HB       GLU  50  -2.412  14.442  14.442
  358   1HG   GLU  50          1HG       GLU  50  -1.988  16.507  16.507
  359   2HG   GLU  50          2HG       GLU  50  -2.420  15.637  15.637
  360    H    PHE  51           H        PHE  51   1.655  12.966  12.966
  361    HA   PHE  51           HA       PHE  51   1.162  11.359  11.359
  362   1HB   PHE  51          1HB       PHE  51   0.043  10.018  10.018
  363   2HB   PHE  51          2HB       PHE  51   1.636   9.835   9.835
  364    HD1  PHE  51           HD2      PHE  51  -0.505   9.088   9.088
  365    HD2  PHE  51           HD1      PHE  51   3.409   8.545   8.545
  366    HE1  PHE  51           HE2      PHE  51   0.115   7.615   7.615
  367    HE2  PHE  51           HE1      PHE  51   4.042   7.117   7.117
  368    HZ   PHE  51           HZ       PHE  51   2.371   6.575   6.575
  369    H    LYS  52           HN       LYS  52   3.011  11.481  11.481
  370    HA   LYS  52           HA       LYS  52   5.521  12.151  12.151
  371   1HB   LYS  52          2HB       LYS  52   4.908  13.125  13.125
  372   2HB   LYS  52          1HB       LYS  52   4.731  11.539  11.539
  373   1HG   LYS  52          2HG       LYS  52   6.836  12.661  12.661
  374   2HG   LYS  52          1HG       LYS  52   7.084  11.087  11.087
  375   1HD   LYS  52          2HD       LYS  52   7.707  12.198  12.198
  376   2HD   LYS  52          1HD       LYS  52   7.361  13.783  13.783
  377   1HE   LYS  52          2HE       LYS  52   9.768  13.314  13.314
  378   2HE   LYS  52          1HE       LYS  52   9.201  13.413  13.413
  379   1HZ   LYS  52          3HZ       LYS  52   9.572  10.900  10.900
  380   2HZ   LYS  52          1HZ       LYS  52  10.680  11.544  11.544
  381   3HZ   LYS  52          2HZ       LYS  52   9.208  11.053  11.053
  382    H    TYR  53           H        TYR  53   6.232  10.456  10.456
  383    HA   TYR  53           HA       TYR  53   6.329   7.695   7.695
  384   1HB   TYR  53          2HB       TYR  53   7.679   8.954   8.954
  385   2HB   TYR  53          1HB       TYR  53   7.405   7.246   7.246
  386    HD1  TYR  53           HD1      TYR  53   5.212   6.194   6.194
  387    HD2  TYR  53           HD2      TYR  53   5.851  10.322  10.322
  388    HE1  TYR  53           HE1      TYR  53   3.071   6.215   6.215
  389    HE2  TYR  53           HE2      TYR  53   3.643  10.374  10.374
  390    HH   TYR  53           HH       TYR  53   1.683   9.247   9.247
  391    H    LYS  54           HN       LYS  54   8.616   6.717   6.717
  392    HA   LYS  54           HA       LYS  54  10.711   7.815   7.815
  393   1HB   LYS  54          1HB       LYS  54  10.467   5.036   5.036
  394   2HB   LYS  54          2HB       LYS  54  11.506   5.539   5.539
  395   1HG   LYS  54          1HG       LYS  54   8.446   5.367   5.367
  396   2HG   LYS  54          2HG       LYS  54   9.589   4.236   4.236
  397   1HD   LYS  54          2HD       LYS  54  10.467   6.091   6.091
  398   2HD   LYS  54          1HD       LYS  54   9.240   7.168   7.168
  399   1HE   LYS  54          1HE       LYS  54   8.416   6.358   6.358
  400   2HE   LYS  54          2HE       LYS  54   7.445   5.629   5.629
  401   1HZ   LYS  54          1HZ       LYS  54   9.681   4.336   4.336
  402   2HZ   LYS  54          3HZ       LYS  54   8.081   4.054   4.054
  403   3HZ   LYS  54          2HZ       LYS  54   8.754   3.639   3.639
  404    H    ASP  55           HN       ASP  55  12.879   7.682   7.682
  405    HA   ASP  55           HA       ASP  55  13.322   8.768   8.768
  406   1HB   ASP  55          2HB       ASP  55  14.853   9.035   9.035
  407   2HB   ASP  55          1HB       ASP  55  15.233   7.301   7.301
  408    H    SER  56           H        SER  56  13.124   5.339   5.339
  409    HA   SER  56           HA       SER  56  14.778   4.220   4.220
  410   1HB   SER  56          1HB       SER  56  13.402   2.184   2.184
  411   2HB   SER  56          2HB       SER  56  14.463   3.029   3.029
  412    HG   SER  56           HG       SER  56  12.168   2.636   2.636
  413    H    ILE  57           H        ILE  57  11.335   4.008   4.008
  414    HA   ILE  57           HA       ILE  57  10.535   3.131   3.131
  415    HB   ILE  57           HB       ILE  57   9.367   3.118   3.118
  416   1HG1  ILE  57          2HG1      ILE  57   7.669   3.747   3.747
  417   2HG1  ILE  57          1HG1      ILE  57   8.480   2.200   2.200
  418   1HG2  ILE  57          2HG2      ILE  57   9.255   5.517   5.517
  419   2HG2  ILE  57          1HG2      ILE  57   8.123   5.714   5.714
  420   3HG2  ILE  57          3HG2      ILE  57   7.666   4.775   4.775
  421   1HD1  ILE  57          1HD1      ILE  57   7.169   1.928   1.928
  422   2HD1  ILE  57          3HD1      ILE  57   6.223   3.369   3.369
  423   3HD1  ILE  57          2HD1      ILE  57   6.201   1.933   1.933
  424    H    VAL  58           H        VAL  58  10.852   6.516   6.516
  425    HA   VAL  58           HA       VAL  58   9.809   7.731   7.731
  426    HB   VAL  58           HB       VAL  58  11.825   8.645   8.645
  427   1HG1  VAL  58          1HG2      VAL  58  10.646  10.245  10.245
  428   2HG1  VAL  58          2HG2      VAL  58  11.457  10.953  10.953
  429   3HG1  VAL  58          3HG2      VAL  58  12.369   9.925   9.925
  430   1HG2  VAL  58          2HG1      VAL  58   9.368   8.312   8.312
  431   2HG2  VAL  58          3HG1      VAL  58   9.947   9.976   9.976
  432   3HG2  VAL  58          1HG1      VAL  58   8.960   9.539   9.539
  433    H    ALA  59           H        ALA  59  13.230   6.815   6.815
  434    HA   ALA  59           HA       ALA  59  14.348   7.653   7.653
  435   1HB   ALA  59          1HB       ALA  59  15.694   7.078   7.078
  436   2HB   ALA  59          2HB       ALA  59  15.224   5.371   5.371
  437   3HB   ALA  59          3HB       ALA  59  16.207   6.134   6.134
  438    H    LEU  60           H        LEU  60  12.987   4.477   4.477
  439    HA   LEU  60           HA       LEU  60  13.501   3.105   3.105
  440   1HB   LEU  60          1HB       LEU  60  12.647   2.178   2.178
  441   2HB   LEU  60          2HB       LEU  60  11.061   2.824   2.824
  442    HG   LEU  60           HG       LEU  60  11.056   1.393   1.393
  443   1HD1  LEU  60          3HD2      LEU  60  13.527   0.147   0.147
  444   2HD1  LEU  60          2HD2      LEU  60  12.581  -0.554  -0.554
  445   3HD1  LEU  60          1HD2      LEU  60  13.445   0.964   0.964
  446   1HD2  LEU  60          3HD1      LEU  60   9.930   0.746   0.746
  447   2HD2  LEU  60          1HD1      LEU  60  10.487  -0.659  -0.659
  448   3HD2  LEU  60          2HD1      LEU  60  11.409  -0.098  -0.098
  449    H    GLY  61           H        GLY  61  10.686   5.055   5.055
  450   1HA   GLY  61          1HA       GLY  61   9.076   4.996   4.996
  451   2HA   GLY  61          2HA       GLY  61   9.247   6.353   6.353
  452    H    ALA  62           H        ALA  62  11.553   7.413   7.413
  453    HA   ALA  62           HA       ALA  62  11.544   8.943   8.943
  454   1HB   ALA  62          1HB       ALA  62  12.590   9.619   9.619
  455   2HB   ALA  62          2HB       ALA  62  13.880   8.421   8.421
  456   3HB   ALA  62          3HB       ALA  62  13.707   9.788   9.788
  457    H    SER  63           H        SER  63  13.243   5.890   5.890
  458    HA   SER  63           HA       SER  63  14.890   5.948   5.948
  459   1HB   SER  63          1HB       SER  63  13.890   3.507   3.507
  460   2HB   SER  63          2HB       SER  63  15.296   3.616   3.616
  461    HG   SER  63           HG       SER  63  14.949   5.085   5.085
  462    H    GLY  64           H        GLY  64  11.542   5.906   5.906
  463   1HA   GLY  64          1HA       GLY  64  10.249   5.926   5.926
  464   2HA   GLY  64          2HA       GLY  64  11.373   4.836   4.836
  465    H    PHE  65           H        PHE  65  10.214   4.286   4.286
  466    HA   PHE  65           HA       PHE  65   9.162   1.700   1.700
  467   1HB   PHE  65          1HB       PHE  65  10.494   1.671   1.671
  468   2HB   PHE  65          2HB       PHE  65   9.447   2.870   2.870
  469    HD1  PHE  65           HD2      PHE  65   8.080  -0.040  -0.040
  470    HD2  PHE  65           HD1      PHE  65   8.812   1.664   1.664
  471    HE1  PHE  65           HE2      PHE  65   6.500  -1.595  -1.595
  472    HE2  PHE  65           HE1      PHE  65   7.413  -0.095  -0.095
  473    HZ   PHE  65           HZ       PHE  65   6.338  -1.812  -1.812
  474    H    ALA  66           H        ALA  66   7.301   2.059   2.059
  475    HA   ALA  66           HA       ALA  66   5.021   3.510   3.510
  476   1HB   ALA  66          2HB       ALA  66   5.301   1.969   1.969
  477   2HB   ALA  66          1HB       ALA  66   3.887   2.914   2.914
  478   3HB   ALA  66          3HB       ALA  66   5.430   3.733   3.733
  479    H    TRP  67           H        TRP  67   3.541   2.440   2.440
  480    HA   TRP  67           HA       TRP  67   3.930  -0.314  -0.314
  481   1HB   TRP  67          2HB       TRP  67   1.797   1.745   1.745
  482   2HB   TRP  67          1HB       TRP  67   1.554   0.065   0.065
  483    HD1  TRP  67           HD1      TRP  67   2.849   3.135   3.135
  484    HE1  TRP  67           HE1      TRP  67   4.101   2.654   2.654
  485    HE3  TRP  67           HE3      TRP  67   3.385  -1.942  -1.942
  486    HZ2  TRP  67           HZ2      TRP  67   5.425   0.464   0.464
  487    HZ3  TRP  67           HZ3      TRP  67   4.588  -3.197  -3.197
  488    HH2  TRP  67           HH2      TRP  67   5.733  -1.988  -1.988
  489    H    THR  68           H        THR  68   3.657  -1.862  -1.862
  490    HA   THR  68           HA       THR  68   1.302  -1.835  -1.835
  491    HB   THR  68           HB       THR  68   2.181  -3.855  -3.855
  492    HG1  THR  68           HG1      THR  68   4.444  -3.908  -3.908
  493   1HG2  THR  68          3HG2      THR  68   3.246  -1.746  -1.746
  494   2HG2  THR  68          2HG2      THR  68   4.523  -1.954  -1.954
  495   3HG2  THR  68          1HG2      THR  68   4.347  -3.135  -3.135
  496    H    GLU  69           HN       GLU  69  -0.248  -3.737  -3.737
  497    HA   GLU  69           HA       GLU  69  -1.207  -4.348  -4.348
  498   1HB   GLU  69          1HB       GLU  69  -2.446  -6.084  -6.084
  499   2HB   GLU  69          2HB       GLU  69  -2.595  -4.459  -4.459
  500   1HG   GLU  69          2HG       GLU  69  -1.019  -5.063  -5.063
  501   2HG   GLU  69          1HG       GLU  69  -0.789  -6.661  -6.661
  502    H    GLU  70           HN       GLU  70   1.199  -5.956  -5.956
  503    HA   GLU  70           HA       GLU  70   1.450  -8.400  -8.400
  504   1HB   GLU  70          2HB       GLU  70   3.584  -6.928  -6.928
  505   2HB   GLU  70          1HB       GLU  70   3.554  -8.641  -8.641
  506   1HG   GLU  70          1HG       GLU  70   1.562  -7.218  -7.218
  507   2HG   GLU  70          2HG       GLU  70   2.936  -8.202  -8.202
  508    H    ASP  71           HN       ASP  71   3.393  -5.388  -5.388
  509    HA   ASP  71           HA       ASP  71   5.155  -6.047  -6.047
  510   1HB   ASP  71          1HB       ASP  71   4.119  -3.396  -3.396
  511   2HB   ASP  71          2HB       ASP  71   5.258  -3.512  -3.512
  512    H    ILE  72           H        ILE  72   2.010  -4.267  -4.267
  513    HA   ILE  72           HA       ILE  72   1.999  -3.875  -3.875
  514    HB   ILE  72           HB       ILE  72  -0.308  -4.354  -4.354
  515   1HG1  ILE  72          2HG1      ILE  72   0.573  -1.726  -1.726
  516   2HG1  ILE  72          1HG1      ILE  72   1.218  -2.287  -2.287
  517   1HG2  ILE  72          3HG2      ILE  72  -0.358  -3.374  -3.374
  518   2HG2  ILE  72          2HG2      ILE  72  -1.744  -3.318  -3.318
  519   3HG2  ILE  72          1HG2      ILE  72  -1.091  -4.869  -4.869
  520   1HD1  ILE  72          2HD1      ILE  72  -1.025  -2.402  -2.402
  521   2HD1  ILE  72          3HD1      ILE  72  -1.724  -1.753  -1.753
  522   3HD1  ILE  72          1HD1      ILE  72  -0.606  -0.773  -0.773
  523    H    ALA  73           H        ALA  73   0.568  -6.564  -6.564
  524    HA   ALA  73           HA       ALA  73  -0.338  -8.094  -8.094
  525   1HB   ALA  73          2HB       ALA  73  -0.941  -8.498  -8.498
  526   2HB   ALA  73          1HB       ALA  73   0.709  -9.053  -9.053
  527   3HB   ALA  73          3HB       ALA  73  -0.322  -9.984  -9.984
  528    H    THR  74           H        THR  74   2.905  -8.068  -8.068
  529    HA   THR  74           HA       THR  74   3.898 -10.293 -10.293
  530    HB   THR  74           HB       THR  74   5.430  -8.037  -8.037
  531    HG1  THR  74           HG1      THR  74   4.062  -9.103  -9.103
  532   1HG2  THR  74          3HG2      THR  74   6.246 -10.882 -10.882
  533   2HG2  THR  74          2HG2      THR  74   7.225  -9.728  -9.728
  534   3HG2  THR  74          1HG2      THR  74   6.849  -9.400  -9.400
  535    H    TYR  75           H        TYR  75   4.375  -6.748  -6.748
  536    HA   TYR  75           HA       TYR  75   6.043  -6.561  -6.561
  537   1HB   TYR  75          2HB       TYR  75   5.563  -4.657  -4.657
  538   2HB   TYR  75          1HB       TYR  75   3.825  -4.787  -4.787
  539    HD1  TYR  75           HD1      TYR  75   6.938  -4.291  -4.291
  540    HD2  TYR  75           HD2      TYR  75   2.732  -3.469  -3.469
  541    HE1  TYR  75           HE1      TYR  75   7.089  -2.610  -2.610
  542    HE2  TYR  75           HE2      TYR  75   2.891  -1.843  -1.843
  543    HH   TYR  75           HH       TYR  75   4.233  -0.997  -0.997
  544    H    VAL  76           H        VAL  76   2.437  -6.703  -6.703
  545    HA   VAL  76           HA       VAL  76   2.413  -6.446  -6.446
  546    HB   VAL  76           HB       VAL  76   0.328  -7.806  -7.806
  547   1HG1  VAL  76          3HG1      VAL  76   0.557  -5.484  -5.484
  548   2HG1  VAL  76          2HG1      VAL  76  -0.963  -6.109  -6.109
  549   3HG1  VAL  76          1HG1      VAL  76   0.227  -5.369  -5.369
  550   1HG2  VAL  76          2HG2      VAL  76   0.852  -9.257  -9.257
  551   2HG2  VAL  76          3HG2      VAL  76  -0.717  -8.455  -8.455
  552   3HG2  VAL  76          1HG2      VAL  76   0.609  -7.838  -7.838
  553    H    LYS  77           HN       LYS  77   3.297  -9.274  -9.274
  554    HA   LYS  77           HA       LYS  77   3.035 -11.148 -11.148
  555   1HB   LYS  77          1HB       LYS  77   4.682 -11.497 -11.497
  556   2HB   LYS  77          2HB       LYS  77   4.081 -12.744 -12.744
  557   1HG   LYS  77          2HG       LYS  77   1.702 -11.826 -11.826
  558   2HG   LYS  77          1HG       LYS  77   2.482 -10.944 -10.944
  559   1HD   LYS  77          2HD       LYS  77   3.310 -13.081 -13.081
  560   2HD   LYS  77          1HD       LYS  77   2.498 -13.971 -13.971
  561   1HE   LYS  77          2HE       LYS  77   0.304 -12.988 -12.988
  562   2HE   LYS  77          1HE       LYS  77   1.131 -12.157 -12.157
  563   1HZ   LYS  77          3HZ       LYS  77   1.771 -14.301 -14.301
  564   2HZ   LYS  77          2HZ       LYS  77   0.961 -15.063 -15.063
  565   3HZ   LYS  77          1HZ       LYS  77   0.133 -14.163 -14.163
  566    H    ASP  78           HN       ASP  78   5.488  -8.774  -8.774
  567    HA   ASP  78           HA       ASP  78   6.886  -9.508  -9.508
  568   1HB   ASP  78          1HB       ASP  78   7.752 -11.170 -11.170
  569   2HB   ASP  78          2HB       ASP  78   8.763  -9.772  -9.772
  570    HA   PRO  79           HA       PRO  79   7.382  -5.155  -5.155
  571   1HB   PRO  79          2HB       PRO  79   6.529  -3.892  -3.892
  572   2HB   PRO  79          1HB       PRO  79   5.470  -4.331  -4.331
  573   1HG   PRO  79          1HG       PRO  79   5.926  -5.828  -5.828
  574   2HG   PRO  79          2HG       PRO  79   4.389  -5.487  -5.487
  575   1HD   PRO  79          1HD       PRO  79   5.610  -7.912  -7.912
  576   2HD   PRO  79          2HD       PRO  79   4.766  -7.129  -7.129
  577    H    GLY  80           H        GLY  80   9.006  -3.786  -3.786
  578   1HA   GLY  80          1HA       GLY  80  11.017  -3.141  -3.141
  579   2HA   GLY  80          2HA       GLY  80  10.793  -4.418  -4.418
  580    H    ALA  81           H        ALA  81  10.734  -6.735  -6.735
  581    HA   ALA  81           HA       ALA  81  13.340  -7.274  -7.274
  582   1HB   ALA  81          1HB       ALA  81  11.818  -8.982  -8.982
  583   2HB   ALA  81          2HB       ALA  81  10.826  -8.882  -8.882
  584   3HB   ALA  81          3HB       ALA  81  12.491  -9.478  -9.478
  585    H    PHE  82           H        PHE  82  10.201  -6.855  -6.855
  586    HA   PHE  82           HA       PHE  82  10.896  -7.090  -7.090
  587   1HB   PHE  82          1HB       PHE  82   8.647  -6.667  -6.667
  588   2HB   PHE  82          2HB       PHE  82   9.097  -5.033  -5.033
  589    HD1  PHE  82           HD1      PHE  82   8.413  -7.341  -7.341
  590    HD2  PHE  82           HD2      PHE  82   9.088  -3.246  -3.246
  591    HE1  PHE  82           HE1      PHE  82   7.470  -6.546  -6.546
  592    HE2  PHE  82           HE2      PHE  82   8.137  -2.471  -2.471
  593    HZ   PHE  82           HZ       PHE  82   7.297  -4.119  -4.119
  594    H    LEU  83           H        LEU  83  11.075  -4.022  -4.022
  595    HA   LEU  83           HA       LEU  83  12.210  -2.444  -2.444
  596   1HB   LEU  83          2HB       LEU  83  12.237  -2.209  -2.209
  597   2HB   LEU  83          1HB       LEU  83  12.896  -1.064  -1.064
  598    HG   LEU  83           HG       LEU  83  10.436  -1.185  -1.185
  599   1HD1  LEU  83          1HD2      LEU  83  10.075  -1.532  -1.532
  600   2HD1  LEU  83          2HD2      LEU  83   8.813  -1.048  -1.048
  601   3HD1  LEU  83          3HD2      LEU  83   9.532  -2.670  -2.670
  602   1HD2  LEU  83          2HD1      LEU  83  11.400   0.531   0.531
  603   2HD2  LEU  83          1HD1      LEU  83  11.675   0.861   0.861
  604   3HD2  LEU  83          3HD1      LEU  83  10.034   0.932   0.932
  605    H    LYS  84           HN       LYS  84  13.730  -4.285  -4.285
  606    HA   LYS  84           HA       LYS  84  16.421  -3.547  -3.547
  607   1HB   LYS  84          2HB       LYS  84  15.242  -6.114  -6.114
  608   2HB   LYS  84          1HB       LYS  84  16.974  -5.750  -5.750
  609   1HG   LYS  84          1HG       LYS  84  16.727  -3.864  -3.864
  610   2HG   LYS  84          2HG       LYS  84  14.957  -3.864  -3.864
  611   1HD   LYS  84          2HD       LYS  84  14.775  -5.979  -5.979
  612   2HD   LYS  84          1HD       LYS  84  16.534  -6.128  -6.128
  613   1HE   LYS  84          2HE       LYS  84  14.877  -3.874  -3.874
  614   2HE   LYS  84          1HE       LYS  84  15.437  -5.315  -5.315
  615   1HZ   LYS  84          2HZ       LYS  84  17.690  -4.656  -4.656
  616   2HZ   LYS  84          1HZ       LYS  84  17.161  -3.269  -3.269
  617   3HZ   LYS  84          3HZ       LYS  84  16.901  -3.513  -3.513
  618    H    GLU  85           HN       GLU  85  14.573  -6.347  -6.347
  619    HA   GLU  85           HA       GLU  85  16.549  -7.444  -7.444
  620   1HB   GLU  85          1HB       GLU  85  14.377  -8.488  -8.488
  621   2HB   GLU  85          2HB       GLU  85  13.534  -7.353  -7.353
  622   1HG   GLU  85          1HG       GLU  85  14.786  -8.275  -8.275
  623   2HG   GLU  85          2HG       GLU  85  15.616  -9.406  -9.406
  624    H    LYS  86           HN       LYS  86  14.034  -5.010  -5.010
  625    HA   LYS  86           HA       LYS  86  15.055  -4.806  -4.806
  626   1HB   LYS  86          2HB       LYS  86  13.131  -3.043  -3.043
  627   2HB   LYS  86          1HB       LYS  86  13.493  -2.909  -2.909
  628   1HG   LYS  86          2HG       LYS  86  12.708  -5.248  -5.248
  629   2HG   LYS  86          1HG       LYS  86  12.361  -5.397  -5.397
  630   1HD   LYS  86          1HD       LYS  86  10.299  -4.974  -4.974
  631   2HD   LYS  86          2HD       LYS  86  10.718  -3.526  -3.526
  632   1HE   LYS  86          1HE       LYS  86  11.484  -2.403  -2.403
  633   2HE   LYS  86          2HE       LYS  86  11.209  -3.892  -3.892
  634   1HZ   LYS  86          2HZ       LYS  86   9.146  -2.341  -2.341
  635   2HZ   LYS  86          3HZ       LYS  86   9.439  -2.315  -2.315
  636   3HZ   LYS  86          1HZ       LYS  86   8.882  -3.691  -3.691
  637    H    LEU  87           H        LEU  87  15.363  -2.629  -2.629
  638    HA   LEU  87           HA       LEU  87  16.837  -0.684  -0.684
  639   1HB   LEU  87          2HB       LEU  87  15.169  -0.249  -0.249
  640   2HB   LEU  87          1HB       LEU  87  16.413  -0.829  -0.829
  641    HG   LEU  87           HG       LEU  87  17.889   1.034   1.034
  642   1HD1  LEU  87          3HD2      LEU  87  15.559   1.871   1.871
  643   2HD1  LEU  87          2HD2      LEU  87  16.911   2.929   2.929
  644   3HD1  LEU  87          1HD2      LEU  87  17.218   1.488   1.488
  645   1HD2  LEU  87          3HD1      LEU  87  16.282   1.302   1.302
  646   2HD2  LEU  87          2HD1      LEU  87  16.582   2.835   2.835
  647   3HD2  LEU  87          1HD1      LEU  87  15.075   1.946   1.946
  648    H    ASP  88           HN       ASP  88  17.705  -3.402  -3.402
  649    HA   ASP  88           HA       ASP  88  19.628  -4.254  -4.254
  650   1HB   ASP  88          1HB       ASP  88  20.087  -4.367  -4.367
  651   2HB   ASP  88          2HB       ASP  88  20.809  -2.753  -2.753
  652    H    ASP  89           HN       ASP  89  18.796  -2.305  -2.305
  653    HA   ASP  89           HA       ASP  89  21.234  -0.872  -0.872
  654   1HB   ASP  89          1HB       ASP  89  19.939   0.755   0.755
  655   2HB   ASP  89          2HB       ASP  89  18.428   0.154   0.154
  656    H    LYS  90           HN       LYS  90  21.612  -1.198  -1.198
  657    HA   LYS  90           HA       LYS  90  20.113  -3.004  -3.004
  658   1HB   LYS  90          2HB       LYS  90  22.508  -2.547  -2.547
  659   2HB   LYS  90          1HB       LYS  90  22.156  -0.869  -0.869
  660   1HG   LYS  90          2HG       LYS  90  22.666  -2.202  -2.202
  661   2HG   LYS  90          1HG       LYS  90  21.011  -1.592  -1.592
  662   1HD   LYS  90          1HD       LYS  90  20.123  -3.791  -3.791
  663   2HD   LYS  90          2HD       LYS  90  21.772  -4.406  -4.406
  664   1HE   LYS  90          2HE       LYS  90  22.269  -4.064  -4.064
  665   2HE   LYS  90          1HE       LYS  90  20.630  -3.430  -3.430
  666   1HZ   LYS  90          1HZ       LYS  90  21.298  -6.140  -6.140
  667   2HZ   LYS  90          2HZ       LYS  90  20.800  -5.721  -5.721
  668   3HZ   LYS  90          3HZ       LYS  90  19.775  -5.553  -5.553
  669    H    LYS  91           HN       LYS  91  19.953   0.541   0.541
  670    HA   LYS  91           HA       LYS  91  18.144   0.823   0.823
  671   1HB   LYS  91          1HB       LYS  91  19.055   2.874   2.874
  672   2HB   LYS  91          2HB       LYS  91  18.258   3.218   3.218
  673   1HG   LYS  91          2HG       LYS  91  20.217   2.153   2.153
  674   2HG   LYS  91          1HG       LYS  91  21.047   2.029   2.029
  675   1HD   LYS  91          2HD       LYS  91  20.096   4.616   4.616
  676   2HD   LYS  91          1HD       LYS  91  21.762   4.015   4.015
  677   1HE   LYS  91          2HE       LYS  91  21.663   4.109   4.109
  678   2HE   LYS  91          1HE       LYS  91  20.070   4.879   4.879
  679   1HZ   LYS  91          2HZ       LYS  91  21.076   6.642   6.642
  680   2HZ   LYS  91          1HZ       LYS  91  22.564   5.942   5.942
  681   3HZ   LYS  91          3HZ       LYS  91  21.786   6.477   6.477
  682    H    ALA  92           H        ALA  92  17.473  -0.610  -0.610
  683    HA   ALA  92           HA       ALA  92  15.226   0.892   0.892
  684   1HB   ALA  92          1HB       ALA  92  16.585  -0.609  -0.609
  685   2HB   ALA  92          2HB       ALA  92  16.022  -1.979  -1.979
  686   3HB   ALA  92          3HB       ALA  92  14.886  -1.064  -1.064
  687    H    LYS  93           HN       LYS  93  14.424   1.146   1.146
  688    HA   LYS  93           HA       LYS  93  12.851  -1.131  -1.131
  689   1HB   LYS  93          1HB       LYS  93  13.401   1.677   1.677
  690   2HB   LYS  93          2HB       LYS  93  12.585   0.403   0.403
  691   1HG   LYS  93          1HG       LYS  93  14.590  -1.007  -1.007
  692   2HG   LYS  93          2HG       LYS  93  15.465   0.196   0.196
  693   1HD   LYS  93          1HD       LYS  93  14.401   0.547   0.547
  694   2HD   LYS  93          2HD       LYS  93  16.084   0.284   0.284
  695   1HE   LYS  93          2HE       LYS  93  14.391   2.757   2.757
  696   2HE   LYS  93          1HE       LYS  93  15.764   2.629   2.629
  697   1HZ   LYS  93          1HZ       LYS  93  17.164   2.173   2.173
  698   2HZ   LYS  93          3HZ       LYS  93  15.896   2.311   2.311
  699   3HZ   LYS  93          2HZ       LYS  93  16.393   3.617   3.617
  700    H    THR  94           H        THR  94  10.635  -0.208  -0.208
  701    HA   THR  94           HA       THR  94   9.267   1.787   1.787
  702    HB   THR  94           HB       THR  94   8.843  -0.061  -0.061
  703    HG1  THR  94           HG1      THR  94   6.935   0.983   0.983
  704   1HG2  THR  94          3HG2      THR  94   9.444  -1.968  -1.968
  705   2HG2  THR  94          2HG2      THR  94   7.917  -1.707  -1.707
  706   3HG2  THR  94          1HG2      THR  94   7.900  -2.179  -2.179
  707    H    GLY  95           H        GLY  95   7.188   2.217   2.217
  708   1HA   GLY  95          1HA       GLY  95   7.171   1.845   1.845
  709   2HA   GLY  95          2HA       GLY  95   6.039   2.795   2.795
  710    H    MET  96           H        MET  96   5.979   0.118   0.118
  711    HA   MET  96           HA       MET  96   3.542  -0.733  -0.733
  712   1HB   MET  96          1HB       MET  96   4.276  -0.653  -0.653
  713   2HB   MET  96          2HB       MET  96   5.220  -2.096  -2.096
  714   1HG   MET  96          1HG       MET  96   3.353  -3.438  -3.438
  715   2HG   MET  96          2HG       MET  96   2.365  -2.170  -2.170
  716   1HE   MET  96          2HE       MET  96   3.126  -4.246  -4.246
  717   2HE   MET  96          1HE       MET  96   1.480  -4.411  -4.411
  718   3HE   MET  96          3HE       MET  96   1.724  -3.765  -3.765
  719    H    ALA  97           H        ALA  97   4.311  -1.240  -1.240
  720    HA   ALA  97           HA       ALA  97   5.607  -3.794  -3.794
  721   1HB   ALA  97          3HB       ALA  97   5.734  -1.916  -1.916
  722   2HB   ALA  97          1HB       ALA  97   3.976  -1.988  -1.988
  723   3HB   ALA  97          2HB       ALA  97   5.005  -3.345  -3.345
  724    H    PHE  98           H        PHE  98   3.898  -4.594  -4.594
  725    HA   PHE  98           HA       PHE  98   2.069  -6.413  -6.413
  726   1HB   PHE  98          1HB       PHE  98   0.536  -4.541  -4.541
  727   2HB   PHE  98          2HB       PHE  98   1.087  -4.082  -4.082
  728    HD1  PHE  98           HD1      PHE  98  -1.016  -6.500  -6.500
  729    HD2  PHE  98           HD2      PHE  98   0.351  -5.244  -5.244
  730    HE1  PHE  98           HE1      PHE  98  -2.766  -7.891  -7.891
  731    HE2  PHE  98           HE2      PHE  98  -1.363  -6.680  -6.680
  732    HZ   PHE  98           HZ       PHE  98  -2.954  -7.974  -7.974
  733    H    LYS  99           HN       LYS  99   1.733  -8.211  -8.211
  734    HA   LYS  99           HA       LYS  99   2.616  -7.947  -7.947
  735   1HB   LYS  99          2HB       LYS  99   3.638 -10.286 -10.286
  736   2HB   LYS  99          1HB       LYS  99   4.120  -9.741  -9.741
  737   1HG   LYS  99          1HG       LYS  99   5.033  -7.628  -7.628
  738   2HG   LYS  99          2HG       LYS  99   4.823  -8.508  -8.508
  739   1HD   LYS  99          2HD       LYS  99   6.340 -10.269 -10.269
  740   2HD   LYS  99          1HD       LYS  99   6.414  -9.626  -9.626
  741   1HE   LYS  99          1HE       LYS  99   7.478  -7.536  -7.536
  742   2HE   LYS  99          2HE       LYS  99   7.460  -8.204  -8.204
  743   1HZ   LYS  99          1HZ       LYS  99   8.860  -9.979  -9.979
  744   2HZ   LYS  99          2HZ       LYS  99   8.861  -9.340  -9.340
  745   3HZ   LYS  99          3HZ       LYS  99   9.554  -8.510  -8.510
  746    H    LEU 100           H        LEU 100   1.778  -9.771  -9.771
  747    HA   LEU 100           HA       LEU 100   0.088 -11.738 -11.738
  748   1HB   LEU 100          2HB       LEU 100  -1.425  -9.772  -9.772
  749   2HB   LEU 100          1HB       LEU 100  -1.080  -9.678  -9.678
  750    HG   LEU 100           HG       LEU 100  -2.046 -12.001 -12.001
  751   1HD1  LEU 100          3HD2      LEU 100  -2.786 -11.615 -11.615
  752   2HD1  LEU 100          2HD2      LEU 100  -3.510 -12.832 -12.832
  753   3HD1  LEU 100          1HD2      LEU 100  -1.791 -12.918 -12.918
  754   1HD2  LEU 100          2HD1      LEU 100  -3.375  -9.967  -9.967
  755   2HD2  LEU 100          3HD1      LEU 100  -4.354 -11.307 -11.307
  756   3HD2  LEU 100          1HD1      LEU 100  -3.920  -9.959  -9.959
  757    H    ALA 101           H        ALA 101   1.025 -13.474 -13.474
  758    HA   ALA 101           HA       ALA 101   2.132 -13.371 -13.371
  759   1HB   ALA 101          3HB       ALA 101   3.208 -14.598 -14.598
  760   2HB   ALA 101          2HB       ALA 101   1.814 -15.700 -15.700
  761   3HB   ALA 101          1HB       ALA 101   2.835 -15.655 -15.655
  762    H    LYS 102           HN       LYS 102  -0.547 -12.737 -12.737
  763    HA   LYS 102           HA       LYS 102  -1.506 -14.452 -14.452
  764   1HB   LYS 102          1HB       LYS 102  -3.541 -15.378 -15.378
  765   2HB   LYS 102          2HB       LYS 102  -2.056 -16.094 -16.094
  766   1HG   LYS 102          2HG       LYS 102  -2.143 -14.652 -14.652
  767   2HG   LYS 102          1HG       LYS 102  -3.581 -13.838 -13.838
  768   1HD   LYS 102          2HD       LYS 102  -4.267 -15.431 -15.431
  769   2HD   LYS 102          1HD       LYS 102  -4.840 -15.971 -15.971
  770   1HE   LYS 102          1HE       LYS 102  -3.018 -17.635 -17.635
  771   2HE   LYS 102          2HE       LYS 102  -2.311 -17.008 -17.008
  772   1HZ   LYS 102          3HZ       LYS 102  -4.950 -18.266 -18.266
  773   2HZ   LYS 102          1HZ       LYS 102  -3.598 -18.970 -18.970
  774   3HZ   LYS 102          2HZ       LYS 102  -4.294 -17.694 -17.694
  775    H    GLY 103           H        GLY 103  -4.086 -13.785 -13.785
  776   1HA   GLY 103          1HA       GLY 103  -5.681 -12.139 -12.139
  777   2HA   GLY 103          2HA       GLY 103  -4.785 -11.238 -11.238
  778    H    GLY 104           H        GLY 104  -2.421 -10.670 -10.670
  779   1HA   GLY 104          1HA       GLY 104  -2.402  -8.382  -8.382
  780   2HA   GLY 104          2HA       GLY 104  -1.262  -9.644  -9.644
  781    H    GLU 105           HN       GLU 105  -2.799 -11.323 -11.323
  782    HA   GLU 105           HA       GLU 105  -2.873  -9.893  -9.893
  783   1HB   GLU 105          2HB       GLU 105  -3.952 -12.110 -12.110
  784   2HB   GLU 105          1HB       GLU 105  -2.265 -12.103 -12.103
  785   1HG   GLU 105          1HG       GLU 105  -4.463 -12.877 -12.877
  786   2HG   GLU 105          2HG       GLU 105  -3.799 -14.006 -14.006
  787    H    ASP 106           HN       ASP 106  -5.397 -11.063 -11.063
  788    HA   ASP 106           HA       ASP 106  -7.650 -10.310 -10.310
  789   1HB   ASP 106          2HB       ASP 106  -7.507 -10.752 -10.752
  790   2HB   ASP 106          1HB       ASP 106  -8.942 -10.734 -10.734
  791    H    VAL 107           H        VAL 107  -5.883  -8.916  -8.916
  792    HA   VAL 107           HA       VAL 107  -7.418  -6.540  -6.540
  793    HB   VAL 107           HB       VAL 107  -4.524  -7.144  -7.144
  794   1HG1  VAL 107          3HG2      VAL 107  -6.321  -4.780  -4.780
  795   2HG1  VAL 107          1HG2      VAL 107  -4.894  -5.239  -5.239
  796   3HG1  VAL 107          2HG2      VAL 107  -4.707  -4.736  -4.736
  797   1HG2  VAL 107          2HG1      VAL 107  -6.298  -8.533  -8.533
  798   2HG2  VAL 107          1HG1      VAL 107  -5.423  -7.461  -7.461
  799   3HG2  VAL 107          3HG1      VAL 107  -7.049  -7.021  -7.021
  800    H    ALA 108           H        ALA 108  -4.491  -7.213  -7.213
  801    HA   ALA 108           HA       ALA 108  -4.225  -4.598  -4.598
  802   1HB   ALA 108          2HB       ALA 108  -2.479  -6.314  -6.314
  803   2HB   ALA 108          3HB       ALA 108  -3.514  -7.268  -7.268
  804   3HB   ALA 108          1HB       ALA 108  -2.940  -5.663  -5.663
  805    H    ALA 109           H        ALA 109  -6.080  -7.449  -7.449
  806    HA   ALA 109           HA       ALA 109  -7.183  -6.152  -6.152
  807   1HB   ALA 109          3HB       ALA 109  -7.321  -8.570  -8.570
  808   2HB   ALA 109          2HB       ALA 109  -8.443  -8.331  -8.331
  809   3HB   ALA 109          1HB       ALA 109  -8.926  -7.872  -7.872
  810    H    TYR 110           H        TYR 110  -8.387  -6.300  -6.300
  811    HA   TYR 110           HA       TYR 110 -10.769  -4.817  -4.817
  812   1HB   TYR 110          2HB       TYR 110 -10.475  -5.952  -5.952
  813   2HB   TYR 110          1HB       TYR 110  -8.928  -5.199  -5.199
  814    HD1  TYR 110           HD2      TYR 110 -12.533  -4.251  -4.251
  815    HD2  TYR 110           HD1      TYR 110  -8.832  -3.441  -3.441
  816    HE1  TYR 110           HE2      TYR 110 -13.673  -2.544  -2.544
  817    HE2  TYR 110           HE1      TYR 110  -9.980  -1.729  -1.729
  818    HH   TYR 110           HH       TYR 110 -13.458  -1.001  -1.001
  819    H    LEU 111           H        LEU 111  -7.494  -3.604  -3.604
  820    HA   LEU 111           HA       LEU 111  -8.191  -0.864  -0.864
  821   1HB   LEU 111          1HB       LEU 111  -5.556  -2.252  -2.252
  822   2HB   LEU 111          2HB       LEU 111  -5.715  -0.501  -0.501
  823    HG   LEU 111           HG       LEU 111  -6.623  -2.445  -2.445
  824   1HD1  LEU 111          3HD1      LEU 111  -3.942  -1.035  -1.035
  825   2HD1  LEU 111          2HD1      LEU 111  -4.494  -1.953  -1.953
  826   3HD1  LEU 111          1HD1      LEU 111  -4.228  -2.785  -2.785
  827   1HD2  LEU 111          2HD2      LEU 111  -6.002   0.540   0.540
  828   2HD2  LEU 111          3HD2      LEU 111  -7.598  -0.204  -0.204
  829   3HD2  LEU 111          1HD2      LEU 111  -6.335  -0.422  -0.422
  830    H    ALA 112           H        ALA 112  -6.936  -2.893  -2.893
  831    HA   ALA 112           HA       ALA 112  -6.874  -0.906  -0.906
  832   1HB   ALA 112          3HB       ALA 112  -5.877  -3.148  -3.148
  833   2HB   ALA 112          1HB       ALA 112  -7.500  -3.867  -3.867
  834   3HB   ALA 112          2HB       ALA 112  -6.956  -2.755  -2.755
  835    H    SER 113           H        SER 113  -9.600  -2.944  -2.944
  836    HA   SER 113           HA       SER 113 -11.474  -1.996  -1.996
  837   1HB   SER 113          1HB       SER 113 -12.063  -3.141  -3.141
  838   2HB   SER 113          2HB       SER 113 -13.157  -3.052  -3.052
  839    HG   SER 113           HG       SER 113 -10.713  -4.522  -4.522
  840    H    VAL 114           H        VAL 114 -10.634  -1.005  -1.005
  841    HA   VAL 114           HA       VAL 114 -12.721   0.867   0.867
  842    HB   VAL 114           HB       VAL 114 -10.006   0.323   0.323
  843   1HG1  VAL 114          2HG1      VAL 114 -11.835   2.556   2.556
  844   2HG1  VAL 114          1HG1      VAL 114 -10.452   1.900   1.900
  845   3HG1  VAL 114          3HG1      VAL 114 -10.169   2.724   2.724
  846   1HG2  VAL 114          2HG2      VAL 114 -11.990  -1.149  -1.149
  847   2HG2  VAL 114          1HG2      VAL 114 -11.308  -0.333  -0.333
  848   3HG2  VAL 114          3HG2      VAL 114 -12.807   0.269   0.269
  849    H    VAL 115           H        VAL 115  -9.427   1.352   1.352
  850    HA   VAL 115           HA       VAL 115  -9.639   4.186   4.186
  851    HB   VAL 115           HB       VAL 115  -7.570   3.092   3.092
  852   1HG1  VAL 115          1HG2      VAL 115  -7.880   1.233   1.233
  853   2HG1  VAL 115          2HG2      VAL 115  -7.837   2.339   2.339
  854   3HG1  VAL 115          3HG2      VAL 115  -6.417   2.153   2.153
  855   1HG2  VAL 115          1HG1      VAL 115  -7.703   5.439   5.439
  856   2HG2  VAL 115          3HG1      VAL 115  -6.333   4.599   4.599
  857   3HG2  VAL 115          2HG1      VAL 115  -7.799   4.905   4.905
  858    H    LYS 116           HN       LYS 116 -11.630   4.679   4.679
  859    HA   LYS 116           HA       LYS 116 -12.080   4.789   4.789
  860   1HB   LYS 116          1HB       LYS 116 -14.387   5.381   5.381
  861   2HB   LYS 116          2HB       LYS 116 -13.936   3.821   3.821
  862   1HG   LYS 116          2HG       LYS 116 -13.594   4.838   4.838
  863   2HG   LYS 116          1HG       LYS 116 -13.886   6.463   6.463
  864   1HD   LYS 116          2HD       LYS 116 -16.218   5.763   5.763
  865   2HD   LYS 116          1HD       LYS 116 -15.909   4.194   4.194
  866   1HE   LYS 116          1HE       LYS 116 -15.744   6.947   6.947
  867   2HE   LYS 116          2HE       LYS 116 -17.039   5.760   5.760
  868   1HZ   LYS 116          1HZ       LYS 116 -15.396   4.268   4.268
  869   2HZ   LYS 116          2HZ       LYS 116 -14.225   5.417   5.417
  870   3HZ   LYS 116          3HZ       LYS 116 -15.491   5.676   5.676
  871    HHA  HEC 117           HHA      HEM 117   3.063   2.570   2.570
  872    HHB  HEC 117           HHB      HEM 117  -0.629  -1.935  -1.935
  873    HHC  HEC 117           HHC      HEM 117  -2.294  -3.913  -3.913
  874    HHD  HEC 117           HHD      HEM 117   1.452   0.601   0.601
  875   1HMA  HEC 117          1HMA      HEM 117   1.629   0.340   0.340
  876   2HMA  HEC 117          2HMA      HEM 117   1.403  -1.356  -1.356
  877   3HMA  HEC 117          3HMA      HEM 117   0.004  -0.256  -0.256
  878   1HAA  HEC 117          1HAA      HEM 117   3.815   2.150   2.150
  879   2HAA  HEC 117          2HAA      HEM 117   3.358   1.391   1.391
  880   1HBA  HEC 117          1HBA      HEM 117   1.806   3.675   3.675
  881   2HBA  HEC 117          2HBA      HEM 117   1.521   2.957   2.957
  882   1HMB  HEC 117          1HMB      HEM 117  -2.639  -2.718  -2.718
  883   2HMB  HEC 117          2HMB      HEM 117  -2.533  -4.447  -4.447
  884   3HMB  HEC 117          3HMB      HEM 117  -3.930  -3.469  -3.469
  885    HAB  HEC 117           HAB      HEM 117  -3.477  -4.991  -4.991
  886   1HBB  HEC 117          1HBB      HEM 117  -2.236  -6.459  -6.459
  887   2HBB  HEC 117          2HBB      HEM 117  -3.399  -6.003  -6.003
  888   3HBB  HEC 117          3HBB      HEM 117  -3.961  -6.847  -6.847
  889   1HMC  HEC 117          1HMC      HEM 117  -2.609  -4.065  -4.065
  890   2HMC  HEC 117          2HMC      HEM 117  -3.149  -2.607  -2.607
  891   3HMC  HEC 117          3HMC      HEM 117  -1.852  -3.614  -3.614
  892    HAC  HEC 117           HAC      HEM 117  -0.864  -1.886  -1.886
  893   1HBC  HEC 117          1HBC      HEM 117   1.329   0.128   0.128
  894   2HBC  HEC 117          2HBC      HEM 117   0.913  -1.170  -1.170
  895   3HBC  HEC 117          3HBC      HEM 117   1.708  -1.568  -1.568
  896   1HMD  HEC 117          1HMD      HEM 117   1.719   3.031   3.031
  897   2HMD  HEC 117          2HMD      HEM 117   3.361   2.364   2.364
  898   3HMD  HEC 117          3HMD      HEM 117   3.070   3.948   3.948
  899   1HAD  HEC 117          1HAD      HEM 117   3.000   4.762   4.762
  900   2HAD  HEC 117          2HAD      HEM 117   3.514   4.178   4.178
  901   1HBD  HEC 117          1HBD      HEM 117   5.367   5.075   5.075
  902   2HBD  HEC 117          2HBD      HEM 117   5.076   3.834   3.834

  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -6.560 -11.038 -11.038
    2   2H    GLY   1          2H        GLY   1  -6.222 -10.414 -10.414
    3   1HA   GLY   1          1HA       GLY   1  -7.240 -13.132 -13.132
    4   2HA   GLY   1          2HA       GLY   1  -7.020 -12.370 -12.370
    5    H    ASP   2           HN       ASP   2  -9.122 -12.326 -12.326
    6    HA   ASP   2           HA       ASP   2 -11.345 -11.417 -11.417
    7   1HB   ASP   2          1HB       ASP   2 -11.765 -13.580 -13.580
    8   2HB   ASP   2          2HB       ASP   2 -11.214 -13.025 -13.025
    9    H    ALA   3           H        ALA   3 -11.566  -9.366  -9.366
   10    HA   ALA   3           HA       ALA   3 -10.821  -7.571  -7.571
   11   1HB   ALA   3          2HB       ALA   3 -13.269  -7.485  -7.485
   12   2HB   ALA   3          3HB       ALA   3 -12.577  -6.088  -6.088
   13   3HB   ALA   3          1HB       ALA   3 -11.631  -6.916  -6.916
   14    H    ALA   4           H        ALA   4 -13.713  -9.727  -9.727
   15    HA   ALA   4           HA       ALA   4 -14.981  -8.230  -8.230
   16   1HB   ALA   4          3HB       ALA   4 -16.272  -9.727  -9.727
   17   2HB   ALA   4          2HB       ALA   4 -15.415 -11.134 -11.134
   18   3HB   ALA   4          1HB       ALA   4 -16.430 -10.149 -10.149
   19    H    LYS   5           HN       LYS   5 -13.051 -11.302 -11.302
   20    HA   LYS   5           HA       LYS   5 -12.706 -11.517 -11.517
   21   1HB   LYS   5          1HB       LYS   5 -10.953 -12.316 -12.316
   22   2HB   LYS   5          2HB       LYS   5 -10.468 -12.609 -12.609
   23   1HG   LYS   5          1HG       LYS   5 -12.434 -13.960 -13.960
   24   2HG   LYS   5          2HG       LYS   5 -13.068 -13.640 -13.640
   25   1HD   LYS   5          1HD       LYS   5 -10.990 -14.676 -14.676
   26   2HD   LYS   5          2HD       LYS   5 -10.455 -15.096 -15.096
   27   1HE   LYS   5          1HE       LYS   5 -13.029 -16.054 -16.054
   28   2HE   LYS   5          2HE       LYS   5 -11.543 -17.001 -17.001
   29   1HZ   LYS   5          3HZ       LYS   5 -11.798 -16.841 -16.841
   30   2HZ   LYS   5          2HZ       LYS   5 -13.199 -15.988 -15.988
   31   3HZ   LYS   5          1HZ       LYS   5 -13.117 -17.549 -17.549
   32    H    GLY   6           H        GLY   6 -10.878  -9.659  -9.659
   33   1HA   GLY   6          1HA       GLY   6  -8.861  -8.581  -8.581
   34   2HA   GLY   6          2HA       GLY   6  -9.620  -7.751  -7.751
   35    H    GLU   7           HN       GLU   7 -12.137  -7.204  -7.204
   36    HA   GLU   7           HA       GLU   7 -11.924  -4.954  -4.954
   37   1HB   GLU   7          2HB       GLU   7 -13.706  -5.414  -5.414
   38   2HB   GLU   7          1HB       GLU   7 -14.429  -6.599  -6.599
   39   1HG   GLU   7          2HG       GLU   7 -14.007  -3.653  -3.653
   40   2HG   GLU   7          1HG       GLU   7 -15.494  -4.305  -4.305
   41    H    LYS   8           HN       LYS   8 -13.142  -8.270  -8.270
   42    HA   LYS   8           HA       LYS   8 -13.754  -7.789  -7.789
   43   1HB   LYS   8          1HB       LYS   8 -12.911 -10.360 -10.360
   44   2HB   LYS   8          2HB       LYS   8 -13.539 -10.253 -10.253
   45   1HG   LYS   8          1HG       LYS   8 -15.655  -9.327  -9.327
   46   2HG   LYS   8          2HG       LYS   8 -15.053  -9.207  -9.207
   47   1HD   LYS   8          2HD       LYS   8 -16.508 -11.123 -11.123
   48   2HD   LYS   8          1HD       LYS   8 -14.856 -11.658 -11.658
   49   1HE   LYS   8          2HE       LYS   8 -14.532 -12.296 -12.296
   50   2HE   LYS   8          1HE       LYS   8 -16.115 -11.616 -11.616
   51   1HZ   LYS   8          2HZ       LYS   8 -17.121 -13.259 -13.259
   52   2HZ   LYS   8          1HZ       LYS   8 -15.647 -13.883 -13.883
   53   3HZ   LYS   8          3HZ       LYS   8 -16.189 -13.974 -13.974
   54    H    GLU   9           HN       GLU   9 -10.642  -9.070  -9.070
   55    HA   GLU   9           HA       GLU   9  -9.228  -9.316  -9.316
   56   1HB   GLU   9          1HB       GLU   9  -8.596  -8.815  -8.815
   57   2HB   GLU   9          2HB       GLU   9  -7.355  -9.038  -9.038
   58   1HG   GLU   9          2HG       GLU   9  -9.556 -11.092 -11.092
   59   2HG   GLU   9          1HG       GLU   9  -8.006 -11.115 -11.115
   60    H    PHE  10           H        PHE  10  -9.892  -6.484  -6.484
   61    HA   PHE  10           HA       PHE  10  -8.034  -4.739  -4.739
   62   1HB   PHE  10          1HB       PHE  10  -9.698  -4.436  -4.436
   63   2HB   PHE  10          2HB       PHE  10 -10.749  -3.711  -3.711
   64    HD1  PHE  10           HD1      PHE  10  -7.517  -3.471  -3.471
   65    HD2  PHE  10           HD2      PHE  10 -10.043  -1.607  -1.607
   66    HE1  PHE  10           HE1      PHE  10  -6.031  -1.503  -1.503
   67    HE2  PHE  10           HE2      PHE  10  -8.532   0.360   0.360
   68    HZ   PHE  10           HZ       PHE  10  -6.532   0.428   0.428
   69    H    ASN  11           H        ASN  11 -10.916  -6.036  -6.036
   70    HA   ASN  11           HA       ASN  11 -11.408  -4.060  -4.060
   71   1HB   ASN  11          1HB       ASN  11 -12.725  -6.188  -6.188
   72   2HB   ASN  11          2HB       ASN  11 -11.636  -7.041  -7.041
   73   1HD2  ASN  11          1HD2      ASN  11 -13.091  -5.061  -5.061
   74   2HD2  ASN  11          2HD2      ASN  11 -11.461  -5.263  -5.263
   75    H    LYS  12           HN       LYS  12  -8.657  -6.222  -6.222
   76    HA   LYS  12           HA       LYS  12  -7.683  -5.800  -5.800
   77   1HB   LYS  12          1HB       LYS  12  -6.449  -7.190  -7.190
   78   2HB   LYS  12          2HB       LYS  12  -5.800  -7.164  -7.164
   79   1HG   LYS  12          2HG       LYS  12  -7.887  -8.200  -8.200
   80   2HG   LYS  12          1HG       LYS  12  -8.535  -8.309  -8.309
   81   1HD   LYS  12          1HD       LYS  12  -5.945  -9.666  -9.666
   82   2HD   LYS  12          2HD       LYS  12  -7.543 -10.432 -10.432
   83   1HE   LYS  12          1HE       LYS  12  -7.799  -9.959  -9.959
   84   2HE   LYS  12          2HE       LYS  12  -6.135  -9.356  -9.356
   85   1HZ   LYS  12          2HZ       LYS  12  -5.439 -11.524 -11.524
   86   2HZ   LYS  12          1HZ       LYS  12  -6.998 -12.062 -12.062
   87   3HZ   LYS  12          3HZ       LYS  12  -6.258 -11.616 -11.616
   88    H    CYS  13           H        CYS  13  -6.787  -4.925  -4.925
   89    HA   CYS  13           HA       CYS  13  -4.577  -3.313  -3.313
   90   1HB   CYS  13          1HB       CYS  13  -6.714  -2.742  -2.742
   91   2HB   CYS  13          2HB       CYS  13  -5.030  -2.206  -2.206
   92    H    LYS  14           HN       LYS  14  -8.008  -2.376  -2.376
   93    HA   LYS  14           HA       LYS  14  -7.792   0.356   0.356
   94   1HB   LYS  14          2HB       LYS  14 -10.003   0.304   0.304
   95   2HB   LYS  14          1HB       LYS  14  -9.862  -1.012  -1.012
   96   1HG   LYS  14          1HG       LYS  14 -10.876  -2.182  -2.182
   97   2HG   LYS  14          2HG       LYS  14  -9.195  -2.401  -2.401
   98   1HD   LYS  14          1HD       LYS  14  -9.537  -0.438  -0.438
   99   2HD   LYS  14          2HD       LYS  14 -11.205  -0.346  -0.346
  100   1HE   LYS  14          1HE       LYS  14 -11.020  -1.559  -1.559
  101   2HE   LYS  14          2HE       LYS  14 -11.629  -2.627  -2.627
  102   1HZ   LYS  14          1HZ       LYS  14  -8.811  -2.531  -2.531
  103   2HZ   LYS  14          3HZ       LYS  14  -9.925  -3.621  -3.621
  104   3HZ   LYS  14          2HZ       LYS  14  -9.501  -3.592  -3.592
  105    H    THR  15           H        THR  15  -6.679  -2.043  -2.043
  106    HA   THR  15           HA       THR  15  -6.979  -0.586  -0.586
  107    HB   THR  15           HB       THR  15  -4.796  -2.571  -2.571
  108    HG1  THR  15           HG1      THR  15  -6.674  -3.592  -3.592
  109   1HG2  THR  15          1HG2      THR  15  -5.977  -1.751  -1.751
  110   2HG2  THR  15          2HG2      THR  15  -4.862  -3.106  -3.106
  111   3HG2  THR  15          3HG2      THR  15  -4.314  -1.447  -1.447
  112    H    CYS  16           H        CYS  16  -4.877  -0.126  -0.126
  113    HA   CYS  16           HA       CYS  16  -3.692   2.242   2.242
  114   1HB   CYS  16          1HB       CYS  16  -2.352   0.330   0.330
  115   2HB   CYS  16          2HB       CYS  16  -1.745   1.946   1.946
  116    H    HIS  17           HN       HIS  17  -4.624   0.739   0.739
  117    HA   HIS  17           HA       HIS  17  -4.266   3.325   3.325
  118   1HB   HIS  17          2HB       HIS  17  -5.303   0.645   0.645
  119   2HB   HIS  17          1HB       HIS  17  -4.978   2.015   2.015
  120    HD1  HIS  17           HD1      HIS  17  -2.617   3.014   3.014
  121    HD2  HIS  17           HD2      HIS  17  -2.766  -0.698  -0.698
  122    HE1  HIS  17           HE1      HIS  17  -0.283   2.070   2.070
  123    H    SER  18           H        SER  18  -6.048   3.600   3.600
  124    HA   SER  18           HA       SER  18  -8.814   3.362   3.362
  125   1HB   SER  18          1HB       SER  18  -7.338   6.029   6.029
  126   2HB   SER  18          2HB       SER  18  -9.081   5.934   5.934
  127    HG   SER  18           HG       SER  18  -7.868   4.608   4.608
  128    H    ILE  19           H        ILE  19 -10.225   4.364   4.364
  129    HA   ILE  19           HA       ILE  19  -9.005   4.562   4.562
  130    HB   ILE  19           HB       ILE  19 -11.317   2.736   2.736
  131   1HG1  ILE  19          1HG1      ILE  19  -9.181   1.657   1.657
  132   2HG1  ILE  19          2HG1      ILE  19 -10.025   0.901   0.901
  133   1HG2  ILE  19          3HG2      ILE  19 -10.138   3.305   3.305
  134   2HG2  ILE  19          1HG2      ILE  19 -11.351   2.058   2.058
  135   3HG2  ILE  19          2HG2      ILE  19 -11.749   3.761   3.761
  136   1HD1  ILE  19          3HD1      ILE  19  -7.653   2.759   2.759
  137   2HD1  ILE  19          2HD1      ILE  19  -7.619   0.991   0.991
  138   3HD1  ILE  19          1HD1      ILE  19  -8.491   1.866   1.866
  139    H    ILE  20           H        ILE  20  -9.754   6.506   6.506
  140    HA   ILE  20           HA       ILE  20 -12.512   7.359   7.359
  141    HB   ILE  20           HB       ILE  20 -10.688   8.369   8.369
  142   1HG1  ILE  20          2HG1      ILE  20 -11.932  10.724  10.724
  143   2HG1  ILE  20          1HG1      ILE  20 -13.061   9.454   9.454
  144   1HG2  ILE  20          2HG2      ILE  20  -9.037   8.747   8.747
  145   2HG2  ILE  20          1HG2      ILE  20 -10.059  10.086  10.086
  146   3HG2  ILE  20          3HG2      ILE  20  -9.293  10.138  10.138
  147   1HD1  ILE  20          1HD1      ILE  20 -10.965  10.604  10.604
  148   2HD1  ILE  20          2HD1      ILE  20 -12.679  11.068  11.068
  149   3HD1  ILE  20          3HD1      ILE  20 -12.213   9.407   9.407
  150    H    ALA  21           H        ALA  21 -13.672   8.196   8.196
  151    HA   ALA  21           HA       ALA  21 -12.627   7.939   7.939
  152   1HB   ALA  21          1HB       ALA  21 -15.038   7.691   7.691
  153   2HB   ALA  21          2HB       ALA  21 -15.077   9.442   9.442
  154   3HB   ALA  21          3HB       ALA  21 -14.810   8.821   8.821
  155    HA   PRO  22           HA       PRO  22 -10.496  11.783  11.783
  156   1HB   PRO  22          1HB       PRO  22 -11.283  12.760  12.760
  157   2HB   PRO  22          2HB       PRO  22 -10.111  11.439  11.439
  158   1HG   PRO  22          2HG       PRO  22 -13.073  11.182  11.182
  159   2HG   PRO  22          1HG       PRO  22 -11.720  10.312  10.312
  160   1HD   PRO  22          1HD       PRO  22 -13.109   9.127   9.127
  161   2HD   PRO  22          2HD       PRO  22 -11.329   9.004   9.004
  162    H    ASP  23           HN       ASP  23 -13.989  11.862  11.862
  163    HA   ASP  23           HA       ASP  23 -14.339  14.679  14.679
  164   1HB   ASP  23          1HB       ASP  23 -16.760  14.013  14.013
  165   2HB   ASP  23          2HB       ASP  23 -15.923  13.436  13.436
  166    H    GLY  24           H        GLY  24 -13.501  12.247  12.247
  167   1HA   GLY  24          1HA       GLY  24 -13.179  12.782  12.782
  168   2HA   GLY  24          2HA       GLY  24 -14.550  13.885  13.885
  169    H    THR  25           H        THR  25 -15.993  11.397  11.397
  170    HA   THR  25           HA       THR  25 -17.384  10.520  10.520
  171    HB   THR  25           HB       THR  25 -17.167   9.105   9.105
  172    HG1  THR  25           HG1      THR  25 -17.968  11.165  11.165
  173   1HG2  THR  25          2HG2      THR  25 -19.239   8.909   8.909
  174   2HG2  THR  25          3HG2      THR  25 -19.381   8.183   8.183
  175   3HG2  THR  25          1HG2      THR  25 -18.125   7.615   7.615
  176    H    GLU  26           HN       GLU  26 -16.566   9.438   9.438
  177    HA   GLU  26           HA       GLU  26 -14.145   7.934   7.934
  178   1HB   GLU  26          2HB       GLU  26 -16.287   7.723   7.723
  179   2HB   GLU  26          1HB       GLU  26 -14.533   7.533   7.533
  180   1HG   GLU  26          2HG       GLU  26 -14.424  10.048  10.048
  181   2HG   GLU  26          1HG       GLU  26 -16.148  10.095  10.095
  182    H    ILE  27           H        ILE  27 -13.834   5.843   5.843
  183    HA   ILE  27           HA       ILE  27 -16.228   4.070   4.070
  184    HB   ILE  27           HB       ILE  27 -13.408   3.592   3.592
  185   1HG1  ILE  27          2HG1      ILE  27 -14.056   5.609   5.609
  186   2HG1  ILE  27          1HG1      ILE  27 -14.100   4.255   4.255
  187   1HG2  ILE  27          3HG2      ILE  27 -16.048   2.318   2.318
  188   2HG2  ILE  27          1HG2      ILE  27 -14.479   1.987   1.987
  189   3HG2  ILE  27          2HG2      ILE  27 -14.739   1.579   1.579
  190   1HD1  ILE  27          1HD1      ILE  27 -16.580   4.146   4.146
  191   2HD1  ILE  27          2HD1      ILE  27 -16.533   5.522   5.522
  192   3HD1  ILE  27          3HD1      ILE  27 -16.021   5.730   5.730
  193    H    VAL  28           H        VAL  28 -12.965   4.361   4.361
  194    HA   VAL  28           HA       VAL  28 -13.773   2.536   2.536
  195    HB   VAL  28           HB       VAL  28 -11.125   2.245   2.245
  196   1HG1  VAL  28          1HG1      VAL  28 -12.250   0.831   0.831
  197   2HG1  VAL  28          2HG1      VAL  28 -10.772   0.381   0.381
  198   3HG1  VAL  28          3HG1      VAL  28 -10.852   1.929   1.929
  199   1HG2  VAL  28          3HG2      VAL  28 -13.501   0.366   0.366
  200   2HG2  VAL  28          1HG2      VAL  28 -12.953   1.159   1.159
  201   3HG2  VAL  28          2HG2      VAL  28 -11.924  -0.051  -0.051
  202    H    LYS  29           HN       LYS  29 -13.854   4.077   4.077
  203    HA   LYS  29           HA       LYS  29 -11.691   6.117   6.117
  204   1HB   LYS  29          2HB       LYS  29 -14.107   6.716   6.716
  205   2HB   LYS  29          1HB       LYS  29 -14.242   5.840   5.840
  206   1HG   LYS  29          2HG       LYS  29 -12.309   8.146   8.146
  207   2HG   LYS  29          1HG       LYS  29 -13.887   8.364   8.364
  208   1HD   LYS  29          1HD       LYS  29 -11.554   6.842   6.842
  209   2HD   LYS  29          2HD       LYS  29 -12.084   8.467   8.467
  210   1HE   LYS  29          2HE       LYS  29 -13.720   5.925   5.925
  211   2HE   LYS  29          1HE       LYS  29 -12.896   6.884   6.884
  212   1HZ   LYS  29          1HZ       LYS  29 -14.331   8.721   8.721
  213   2HZ   LYS  29          2HZ       LYS  29 -15.116   7.797   7.797
  214   3HZ   LYS  29          3HZ       LYS  29 -15.199   7.403   7.403
  215    H    GLY  30           H        GLY  30 -10.177   4.408   4.408
  216   1HA   GLY  30          1HA       GLY  30 -10.510   2.526   2.526
  217   2HA   GLY  30          2HA       GLY  30  -9.160   2.619   2.619
  218    H    ALA  31           H        ALA  31  -8.158   2.414   2.414
  219    HA   ALA  31           HA       ALA  31  -8.040   4.949   4.949
  220   1HB   ALA  31          2HB       ALA  31  -6.783   2.227   2.227
  221   2HB   ALA  31          3HB       ALA  31  -6.590   3.629   3.629
  222   3HB   ALA  31          1HB       ALA  31  -8.192   2.905   2.905
  223    H    LYS  32           HN       LYS  32  -7.339   5.768   5.768
  224    HA   LYS  32           HA       LYS  32  -5.290   5.771   5.771
  225   1HB   LYS  32          2HB       LYS  32  -5.481   8.215   8.215
  226   2HB   LYS  32          1HB       LYS  32  -7.017   7.346   7.346
  227   1HG   LYS  32          1HG       LYS  32  -7.400   7.948   7.948
  228   2HG   LYS  32          2HG       LYS  32  -5.830   8.776   8.776
  229   1HD   LYS  32          2HD       LYS  32  -6.607  10.348  10.348
  230   2HD   LYS  32          1HD       LYS  32  -8.146   9.476   9.476
  231   1HE   LYS  32          2HE       LYS  32  -8.433  11.494  11.494
  232   2HE   LYS  32          1HE       LYS  32  -8.660  10.062  10.062
  233   1HZ   LYS  32          2HZ       LYS  32  -6.202  11.667  11.667
  234   2HZ   LYS  32          3HZ       LYS  32  -7.310  11.734  11.734
  235   3HZ   LYS  32          1HZ       LYS  32  -6.433  10.361  10.361
  236    H    THR  33           H        THR  33  -3.869   4.678   4.678
  237    HA   THR  33           HA       THR  33  -1.730   6.451   6.451
  238    HB   THR  33           HB       THR  33  -1.920   3.422   3.422
  239    HG1  THR  33           HG1      THR  33  -3.657   4.349   4.349
  240   1HG2  THR  33          3HG2      THR  33  -0.284   5.389   5.389
  241   2HG2  THR  33          1HG2      THR  33  -0.396   3.642   3.642
  242   3HG2  THR  33          2HG2      THR  33   0.361   4.239   4.239
  243    H    GLY  34           H        GLY  34  -2.503   4.383   4.383
  244   1HA   GLY  34          1HA       GLY  34   0.218   4.741   4.741
  245   2HA   GLY  34          2HA       GLY  34  -0.864   3.388   3.388
  246    HA   PRO  35           HA       PRO  35  -1.499   7.210   7.210
  247   1HB   PRO  35          2HB       PRO  35  -0.934   4.962   4.962
  248   2HB   PRO  35          1HB       PRO  35  -0.556   6.697   6.697
  249   1HG   PRO  35          1HG       PRO  35   1.346   4.878   4.878
  250   2HG   PRO  35          2HG       PRO  35   1.290   6.509   6.509
  251   1HD   PRO  35          2HD       PRO  35   0.462   3.896   3.896
  252   2HD   PRO  35          1HD       PRO  35   1.122   5.353   5.353
  253    H    ASN  36           H        ASN  36  -3.214   7.407   7.407
  254    HA   ASN  36           HA       ASN  36  -5.464   5.554   5.554
  255   1HB   ASN  36          2HB       ASN  36  -5.859   8.013   8.013
  256   2HB   ASN  36          1HB       ASN  36  -5.284   8.074   8.074
  257   1HD2  ASN  36          2HD2      ASN  36  -9.096   7.109   7.109
  258   2HD2  ASN  36          1HD2      ASN  36  -8.071   7.908   7.908
  259    H    LEU  37           H        LEU  37  -5.544   3.808   3.808
  260    HA   LEU  37           HA       LEU  37  -3.571   3.728   3.728
  261   1HB   LEU  37          2HB       LEU  37  -5.372   1.558   1.558
  262   2HB   LEU  37          1HB       LEU  37  -4.124   1.339   1.339
  263    HG   LEU  37           HG       LEU  37  -3.670   2.224   2.224
  264   1HD1  LEU  37          1HD1      LEU  37  -3.019  -0.370  -0.370
  265   2HD1  LEU  37          2HD1      LEU  37  -2.527   0.020   0.020
  266   3HD1  LEU  37          3HD1      LEU  37  -4.241  -0.148  -0.148
  267   1HD2  LEU  37          3HD2      LEU  37  -1.704   1.789   1.789
  268   2HD2  LEU  37          2HD2      LEU  37  -1.943   3.275   3.275
  269   3HD2  LEU  37          1HD2      LEU  37  -1.223   1.853   1.853
  270    H    TYR  38           H        TYR  38  -6.639   5.007   5.007
  271    HA   TYR  38           HA       TYR  38  -7.767   3.707   3.707
  272   1HB   TYR  38          2HB       TYR  38  -8.980   5.207   5.207
  273   2HB   TYR  38          1HB       TYR  38  -8.091   6.595   6.595
  274    HD1  TYR  38           HD2      TYR  38  -8.219   6.920   6.920
  275    HD2  TYR  38           HD1      TYR  38 -11.149   5.014   5.014
  276    HE1  TYR  38           HE2      TYR  38  -9.821   7.063   7.063
  277    HE2  TYR  38           HE1      TYR  38 -12.793   5.189   5.189
  278    HH   TYR  38           HH       TYR  38 -12.036   6.690   6.690
  279    H    GLY  39           H        GLY  39  -6.447   3.478   3.478
  280   1HA   GLY  39          1HA       GLY  39  -5.611   4.404   4.404
  281   2HA   GLY  39          2HA       GLY  39  -5.401   5.971   5.971
  282    H    VAL  40           H        VAL  40  -4.116   3.286   3.286
  283    HA   VAL  40           HA       VAL  40  -1.461   4.214   4.214
  284    HB   VAL  40           HB       VAL  40  -2.008   3.030   3.030
  285   1HG1  VAL  40          2HG1      VAL  40  -3.503   1.222   1.222
  286   2HG1  VAL  40          3HG1      VAL  40  -2.080   0.462   0.462
  287   3HG1  VAL  40          1HG1      VAL  40  -2.183   0.606   0.606
  288   1HG2  VAL  40          2HG2      VAL  40   0.347   3.114   3.114
  289   2HG2  VAL  40          1HG2      VAL  40   0.036   1.682   1.682
  290   3HG2  VAL  40          3HG2      VAL  40   0.105   1.524   1.524
  291    H    VAL  41           H        VAL  41  -3.349   1.657   1.657
  292    HA   VAL  41           HA       VAL  41  -1.210   0.429   0.429
  293    HB   VAL  41           HB       VAL  41  -4.147   0.721   0.721
  294   1HG1  VAL  41          2HG1      VAL  41  -2.008  -1.176  -1.176
  295   2HG1  VAL  41          3HG1      VAL  41  -3.748  -1.303  -1.303
  296   3HG1  VAL  41          1HG1      VAL  41  -2.842   0.097   0.097
  297   1HG2  VAL  41          2HG2      VAL  41  -3.768  -0.459  -0.459
  298   2HG2  VAL  41          1HG2      VAL  41  -4.380  -1.548  -1.548
  299   3HG2  VAL  41          3HG2      VAL  41  -2.662  -1.574  -1.574
  300    H    GLY  42           H        GLY  42   0.194   1.426   1.426
  301   1HA   GLY  42          1HA       GLY  42   0.810   2.388   2.388
  302   2HA   GLY  42          2HA       GLY  42  -0.694   3.313   3.313
  303    H    ARG  43           HN       ARG  43  -0.071   3.859   3.859
  304    HA   ARG  43           HA       ARG  43   1.105   6.456   6.456
  305   1HB   ARG  43          2HB       ARG  43  -0.730   6.025   6.025
  306   2HB   ARG  43          1HB       ARG  43   0.444   5.135   5.135
  307   1HG   ARG  43          1HG       ARG  43   0.261   7.201   7.201
  308   2HG   ARG  43          2HG       ARG  43   1.792   7.296   7.296
  309   1HD   ARG  43          1HD       ARG  43  -0.854   8.405   8.405
  310   2HD   ARG  43          2HD       ARG  43   0.252   9.363   9.363
  311    HE   ARG  43           HE       ARG  43   0.517   8.665   8.665
  312   1HH1  ARG  43          2HH1      ARG  43   2.294   9.739   9.739
  313   2HH1  ARG  43          1HH1      ARG  43   3.837   9.746   9.746
  314   1HH2  ARG  43          1HH2      ARG  43   2.465   8.974   8.974
  315   2HH2  ARG  43          2HH2      ARG  43   3.950   9.213   9.213
  316    H    THR  44           H        THR  44   3.147   7.161   7.161
  317    HA   THR  44           HA       THR  44   5.300   5.292   5.292
  318    HB   THR  44           HB       THR  44   5.305   8.264   8.264
  319    HG1  THR  44           HG1      THR  44   5.476   6.944   6.944
  320   1HG2  THR  44          1HG2      THR  44   7.453   6.354   6.354
  321   2HG2  THR  44          2HG2      THR  44   7.638   8.112   8.112
  322   3HG2  THR  44          3HG2      THR  44   7.362   7.094   7.094
  323    H    ALA  45           H        ALA  45   5.897   4.239   4.239
  324    HA   ALA  45           HA       ALA  45   4.504   4.394   4.394
  325   1HB   ALA  45          1HB       ALA  45   6.057   2.565   2.565
  326   2HB   ALA  45          2HB       ALA  45   7.426   3.650   3.650
  327   3HB   ALA  45          3HB       ALA  45   6.354   3.091   3.091
  328    H    GLY  46           H        GLY  46   4.985   5.213   5.213
  329   1HA   GLY  46          1HA       GLY  46   5.703   6.787   6.787
  330   2HA   GLY  46          2HA       GLY  46   7.156   6.963   6.963
  331    H    THR  47           H        THR  47   4.295   7.674   7.674
  332    HA   THR  47           HA       THR  47   4.379  10.538  10.538
  333    HB   THR  47           HB       THR  47   4.735  11.244  11.244
  334    HG1  THR  47           HG1      THR  47   5.040   8.460   8.460
  335   1HG2  THR  47          2HG2      THR  47   6.677  11.103  11.103
  336   2HG2  THR  47          1HG2      THR  47   7.044   9.488   9.488
  337   3HG2  THR  47          3HG2      THR  47   7.103  10.903  10.903
  338    H    TYR  48           H        TYR  48   2.261   8.673   8.673
  339    HA   TYR  48           HA       TYR  48   0.123   9.648   9.648
  340   1HB   TYR  48          2HB       TYR  48   0.018   7.344   7.344
  341   2HB   TYR  48          1HB       TYR  48  -0.155   8.155   8.155
  342    HD1  TYR  48           HD1      TYR  48  -1.828   7.421   7.421
  343    HD2  TYR  48           HD2      TYR  48  -2.252   9.299   9.299
  344    HE1  TYR  48           HE1      TYR  48  -4.177   7.858   7.858
  345    HE2  TYR  48           HE2      TYR  48  -4.634   9.696   9.696
  346    HH   TYR  48           HH       TYR  48  -6.214   8.095   8.095
  347    HA   PRO  49           HA       PRO  49   0.401  13.407  13.407
  348   1HB   PRO  49          1HB       PRO  49  -2.154  14.460  14.460
  349   2HB   PRO  49          2HB       PRO  49  -0.995  14.469  14.469
  350   1HG   PRO  49          1HG       PRO  49  -3.187  12.443  12.443
  351   2HG   PRO  49          2HG       PRO  49  -2.841  13.304  13.304
  352   1HD   PRO  49          1HD       PRO  49  -1.928  10.810  10.810
  353   2HD   PRO  49          2HD       PRO  49  -0.835  12.018  12.018
  354    H    GLU  50           HN       GLU  50  -0.134  14.453  14.453
  355    HA   GLU  50           HA       GLU  50  -0.396  14.542  14.542
  356   1HB   GLU  50          1HB       GLU  50  -3.060  13.228  13.228
  357   2HB   GLU  50          2HB       GLU  50  -2.664  14.111  14.111
  358   1HG   GLU  50          1HG       GLU  50  -2.239  16.172  16.172
  359   2HG   GLU  50          2HG       GLU  50  -2.696  15.306  15.306
  360    H    PHE  51           H        PHE  51   1.441  12.766  12.766
  361    HA   PHE  51           HA       PHE  51   0.807  11.247  11.247
  362   1HB   PHE  51          1HB       PHE  51  -0.051   9.692   9.692
  363   2HB   PHE  51          2HB       PHE  51   1.617   9.537   9.537
  364    HD1  PHE  51           HD2      PHE  51  -0.748   8.996   8.996
  365    HD2  PHE  51           HD1      PHE  51   3.286   8.380   8.380
  366    HE1  PHE  51           HE2      PHE  51  -0.257   7.667   7.667
  367    HE2  PHE  51           HE1      PHE  51   3.772   7.032   7.032
  368    HZ   PHE  51           HZ       PHE  51   1.983   6.639   6.639
  369    H    LYS  52           HN       LYS  52   2.509  11.363  11.363
  370    HA   LYS  52           HA       LYS  52   5.106  12.239  12.239
  371   1HB   LYS  52          2HB       LYS  52   4.058  12.990  12.990
  372   2HB   LYS  52          1HB       LYS  52   4.256  11.357  11.357
  373   1HG   LYS  52          2HG       LYS  52   6.836  11.751  11.751
  374   2HG   LYS  52          1HG       LYS  52   6.334  13.438  13.438
  375   1HD   LYS  52          2HD       LYS  52   7.018  13.374  13.374
  376   2HD   LYS  52          1HD       LYS  52   5.331  12.917  12.917
  377   1HE   LYS  52          2HE       LYS  52   7.765  11.061  11.061
  378   2HE   LYS  52          1HE       LYS  52   6.853  11.446  11.446
  379   1HZ   LYS  52          1HZ       LYS  52   4.957  10.358  10.358
  380   2HZ   LYS  52          2HZ       LYS  52   5.823   9.985   9.985
  381   3HZ   LYS  52          3HZ       LYS  52   6.243   9.332   9.332
  382    H    TYR  53           H        TYR  53   5.397  10.346  10.346
  383    HA   TYR  53           HA       TYR  53   5.907   7.725   7.725
  384   1HB   TYR  53          2HB       TYR  53   7.071   8.895   8.895
  385   2HB   TYR  53          1HB       TYR  53   6.935   7.209   7.209
  386    HD1  TYR  53           HD1      TYR  53   4.926   5.916   5.916
  387    HD2  TYR  53           HD2      TYR  53   5.045  10.065  10.065
  388    HE1  TYR  53           HE1      TYR  53   3.142   5.512   5.512
  389    HE2  TYR  53           HE2      TYR  53   3.121   9.695   9.695
  390    HH   TYR  53           HH       TYR  53   1.990   6.394   6.394
  391    H    LYS  54           HN       LYS  54   8.222   6.832   6.832
  392    HA   LYS  54           HA       LYS  54  10.303   8.267   8.267
  393   1HB   LYS  54          1HB       LYS  54  10.107   5.301   5.301
  394   2HB   LYS  54          2HB       LYS  54  11.136   6.079   6.079
  395   1HG   LYS  54          1HG       LYS  54   8.099   5.943   5.943
  396   2HG   LYS  54          2HG       LYS  54   9.162   4.940   4.940
  397   1HD   LYS  54          2HD       LYS  54   9.966   6.911   6.911
  398   2HD   LYS  54          1HD       LYS  54   8.999   7.995   7.995
  399   1HE   LYS  54          1HE       LYS  54   7.848   5.823   5.823
  400   2HE   LYS  54          2HE       LYS  54   7.910   7.556   7.556
  401   1HZ   LYS  54          2HZ       LYS  54   6.531   7.933   7.933
  402   2HZ   LYS  54          1HZ       LYS  54   6.433   6.302   6.302
  403   3HZ   LYS  54          3HZ       LYS  54   5.796   6.967   6.967
  404    H    ASP  55           HN       ASP  55  12.483   7.965   7.965
  405    HA   ASP  55           HA       ASP  55  13.082   8.803   8.803
  406   1HB   ASP  55          2HB       ASP  55  14.609   9.031   9.031
  407   2HB   ASP  55          1HB       ASP  55  14.807   7.271   7.271
  408    H    SER  56           H        SER  56  12.813   5.360   5.360
  409    HA   SER  56           HA       SER  56  14.388   4.334   4.334
  410   1HB   SER  56          1HB       SER  56  12.231   2.885   2.885
  411   2HB   SER  56          2HB       SER  56  13.681   2.217   2.217
  412    HG   SER  56           HG       SER  56  14.863   3.572   3.572
  413    H    ILE  57           H        ILE  57  10.880   4.411   4.411
  414    HA   ILE  57           HA       ILE  57  10.176   3.308   3.308
  415    HB   ILE  57           HB       ILE  57   9.002   3.256   3.256
  416   1HG1  ILE  57          2HG1      ILE  57   7.327   3.923   3.923
  417   2HG1  ILE  57          1HG1      ILE  57   8.122   2.369   2.369
  418   1HG2  ILE  57          1HG2      ILE  57   8.833   5.596   5.596
  419   2HG2  ILE  57          3HG2      ILE  57   7.812   5.895   5.895
  420   3HG2  ILE  57          2HG2      ILE  57   7.232   4.891   4.891
  421   1HD1  ILE  57          1HD1      ILE  57   6.760   2.100   2.100
  422   2HD1  ILE  57          3HD1      ILE  57   5.819   3.529   3.529
  423   3HD1  ILE  57          2HD1      ILE  57   5.847   2.087   2.087
  424    H    VAL  58           H        VAL  58  10.515   6.661   6.661
  425    HA   VAL  58           HA       VAL  58   9.477   7.930   7.930
  426    HB   VAL  58           HB       VAL  58  11.509   8.791   8.791
  427   1HG1  VAL  58          1HG2      VAL  58  10.280  10.437  10.437
  428   2HG1  VAL  58          2HG2      VAL  58  11.123  11.115  11.115
  429   3HG1  VAL  58          3HG2      VAL  58  12.010  10.112  10.112
  430   1HG2  VAL  58          2HG1      VAL  58   9.075   8.452   8.452
  431   2HG2  VAL  58          3HG1      VAL  58   9.648  10.117  10.117
  432   3HG2  VAL  58          1HG1      VAL  58   8.629   9.674   9.674
  433    H    ALA  59           H        ALA  59  12.869   6.948   6.948
  434    HA   ALA  59           HA       ALA  59  14.023   7.795   7.795
  435   1HB   ALA  59          3HB       ALA  59  15.334   7.221   7.221
  436   2HB   ALA  59          1HB       ALA  59  14.857   5.516   5.516
  437   3HB   ALA  59          2HB       ALA  59  15.869   6.270   6.270
  438    H    LEU  60           H        LEU  60  12.694   4.599   4.599
  439    HA   LEU  60           HA       LEU  60  13.223   3.243   3.243
  440   1HB   LEU  60          1HB       LEU  60  12.391   2.305   2.305
  441   2HB   LEU  60          2HB       LEU  60  10.792   2.928   2.928
  442    HG   LEU  60           HG       LEU  60  10.762   1.493   1.493
  443   1HD1  LEU  60          2HD2      LEU  60  13.329   0.314   0.314
  444   2HD1  LEU  60          1HD2      LEU  60  12.345  -0.401  -0.401
  445   3HD1  LEU  60          3HD2      LEU  60  13.148   1.142   1.142
  446   1HD2  LEU  60          1HD1      LEU  60   9.746   0.781   0.781
  447   2HD2  LEU  60          2HD1      LEU  60  10.327  -0.595  -0.595
  448   3HD2  LEU  60          3HD1      LEU  60  11.275  -0.011  -0.011
  449    H    GLY  61           H        GLY  61  10.390   5.162   5.162
  450   1HA   GLY  61          1HA       GLY  61   8.791   5.094   5.094
  451   2HA   GLY  61          2HA       GLY  61   8.956   6.460   6.460
  452    H    ALA  62           H        ALA  62  11.278   7.525   7.525
  453    HA   ALA  62           HA       ALA  62  11.262   9.025   9.025
  454   1HB   ALA  62          3HB       ALA  62  12.359   9.708   9.708
  455   2HB   ALA  62          1HB       ALA  62  13.631   8.495   8.495
  456   3HB   ALA  62          2HB       ALA  62  13.444   9.852   9.852
  457    H    SER  63           H        SER  63  12.912   5.952   5.952
  458    HA   SER  63           HA       SER  63  14.479   5.948   5.948
  459   1HB   SER  63          1HB       SER  63  13.608   3.553   3.553
  460   2HB   SER  63          2HB       SER  63  14.985   3.673   3.673
  461    HG   SER  63           HG       SER  63  14.630   5.207   5.207
  462    H    GLY  64           H        GLY  64  11.185   6.017   6.017
  463   1HA   GLY  64          1HA       GLY  64   9.804   5.865   5.865
  464   2HA   GLY  64          2HA       GLY  64  10.938   4.788   4.788
  465    H    PHE  65           H        PHE  65   9.962   4.227   4.227
  466    HA   PHE  65           HA       PHE  65   8.938   1.620   1.620
  467   1HB   PHE  65          1HB       PHE  65  10.351   1.814   1.814
  468   2HB   PHE  65          2HB       PHE  65   9.164   2.875   2.875
  469    HD1  PHE  65           HD2      PHE  65   8.792  -0.438  -0.438
  470    HD2  PHE  65           HD1      PHE  65   8.397   1.702   1.702
  471    HE1  PHE  65           HE2      PHE  65   7.548  -2.317  -2.317
  472    HE2  PHE  65           HE1      PHE  65   7.113  -0.174  -0.174
  473    HZ   PHE  65           HZ       PHE  65   6.637  -2.174  -2.174
  474    H    ALA  66           H        ALA  66   7.208   2.396   2.396
  475    HA   ALA  66           HA       ALA  66   4.792   3.545   3.545
  476   1HB   ALA  66          1HB       ALA  66   5.242   2.060   2.060
  477   2HB   ALA  66          3HB       ALA  66   3.769   2.937   2.937
  478   3HB   ALA  66          2HB       ALA  66   5.290   3.823   3.823
  479    H    TRP  67           H        TRP  67   3.523   2.392   2.392
  480    HA   TRP  67           HA       TRP  67   3.973  -0.346  -0.346
  481   1HB   TRP  67          2HB       TRP  67   1.737   1.592   1.592
  482   2HB   TRP  67          1HB       TRP  67   1.560  -0.108  -0.108
  483    HD1  TRP  67           HD1      TRP  67   2.665   2.964   2.964
  484    HE1  TRP  67           HE1      TRP  67   3.861   2.477   2.477
  485    HE3  TRP  67           HE3      TRP  67   3.540  -2.053  -2.053
  486    HZ2  TRP  67           HZ2      TRP  67   5.213   0.291   0.291
  487    HZ3  TRP  67           HZ3      TRP  67   4.750  -3.306  -3.306
  488    HH2  TRP  67           HH2      TRP  67   5.703  -2.110  -2.110
  489    H    THR  68           H        THR  68   3.482  -2.105  -2.105
  490    HA   THR  68           HA       THR  68   1.197  -2.122  -2.122
  491    HB   THR  68           HB       THR  68   2.126  -4.157  -4.157
  492    HG1  THR  68           HG1      THR  68   4.423  -4.073  -4.073
  493   1HG2  THR  68          1HG2      THR  68   3.095  -2.059  -2.059
  494   2HG2  THR  68          3HG2      THR  68   4.400  -2.163  -2.163
  495   3HG2  THR  68          2HG2      THR  68   4.244  -3.414  -3.414
  496    H    GLU  69           HN       GLU  69  -0.175  -4.070  -4.070
  497    HA   GLU  69           HA       GLU  69  -1.267  -4.715  -4.715
  498   1HB   GLU  69          1HB       GLU  69  -1.183  -6.468  -6.468
  499   2HB   GLU  69          2HB       GLU  69  -2.321  -6.597  -6.597
  500   1HG   GLU  69          2HG       GLU  69  -2.730  -4.041  -4.041
  501   2HG   GLU  69          1HG       GLU  69  -2.082  -4.441  -4.441
  502    H    GLU  70           HN       GLU  70   1.130  -6.282  -6.282
  503    HA   GLU  70           HA       GLU  70   1.556  -8.680  -8.680
  504   1HB   GLU  70          2HB       GLU  70   3.506  -7.190  -7.190
  505   2HB   GLU  70          1HB       GLU  70   3.639  -8.869  -8.869
  506   1HG   GLU  70          1HG       GLU  70   1.461  -9.378  -9.378
  507   2HG   GLU  70          2HG       GLU  70   1.409  -7.724  -7.724
  508    H    ASP  71           HN       ASP  71   3.366  -5.550  -5.550
  509    HA   ASP  71           HA       ASP  71   5.201  -6.278  -6.278
  510   1HB   ASP  71          1HB       ASP  71   4.205  -3.594  -3.594
  511   2HB   ASP  71          2HB       ASP  71   5.438  -3.784  -3.784
  512    H    ILE  72           H        ILE  72   2.023  -4.552  -4.552
  513    HA   ILE  72           HA       ILE  72   2.117  -4.092  -4.092
  514    HB   ILE  72           HB       ILE  72  -0.239  -4.589  -4.589
  515   1HG1  ILE  72          2HG1      ILE  72   0.647  -1.954  -1.954
  516   2HG1  ILE  72          1HG1      ILE  72   1.296  -2.514  -2.514
  517   1HG2  ILE  72          2HG2      ILE  72  -0.218  -3.622  -3.622
  518   2HG2  ILE  72          1HG2      ILE  72  -1.628  -3.546  -3.546
  519   3HG2  ILE  72          3HG2      ILE  72  -0.974  -5.108  -5.108
  520   1HD1  ILE  72          2HD1      ILE  72  -0.963  -2.676  -2.676
  521   2HD1  ILE  72          3HD1      ILE  72  -1.647  -1.995  -1.995
  522   3HD1  ILE  72          1HD1      ILE  72  -0.543  -1.031  -1.031
  523    H    ALA  73           H        ALA  73   0.684  -6.800  -6.800
  524    HA   ALA  73           HA       ALA  73  -0.177  -8.377  -8.377
  525   1HB   ALA  73          2HB       ALA  73  -0.761  -8.787  -8.787
  526   2HB   ALA  73          1HB       ALA  73   0.908  -9.280  -9.280
  527   3HB   ALA  73          3HB       ALA  73  -0.089 -10.253 -10.253
  528    H    THR  74           H        THR  74   3.090  -8.169  -8.169
  529    HA   THR  74           HA       THR  74   4.159 -10.347 -10.347
  530    HB   THR  74           HB       THR  74   5.629  -8.069  -8.069
  531    HG1  THR  74           HG1      THR  74   4.297  -9.210  -9.210
  532   1HG2  THR  74          1HG2      THR  74   6.509 -10.888 -10.888
  533   2HG2  THR  74          3HG2      THR  74   7.476  -9.703  -9.703
  534   3HG2  THR  74          2HG2      THR  74   7.047  -9.395  -9.395
  535    H    TYR  75           H        TYR  75   4.557  -6.784  -6.784
  536    HA   TYR  75           HA       TYR  75   6.139  -6.523  -6.523
  537   1HB   TYR  75          2HB       TYR  75   5.703  -4.657  -4.657
  538   2HB   TYR  75          1HB       TYR  75   3.965  -4.770  -4.770
  539    HD1  TYR  75           HD1      TYR  75   7.078  -4.030  -4.030
  540    HD2  TYR  75           HD2      TYR  75   2.800  -3.605  -3.605
  541    HE1  TYR  75           HE1      TYR  75   7.143  -2.468  -2.468
  542    HE2  TYR  75           HE2      TYR  75   2.882  -2.046  -2.046
  543    HH   TYR  75           HH       TYR  75   4.182  -1.171  -1.171
  544    H    VAL  76           H        VAL  76   2.528  -6.755  -6.755
  545    HA   VAL  76           HA       VAL  76   2.300  -6.358  -6.358
  546    HB   VAL  76           HB       VAL  76   0.312  -7.845  -7.845
  547   1HG1  VAL  76          1HG1      VAL  76   0.112  -5.433  -5.433
  548   2HG1  VAL  76          3HG1      VAL  76   0.488  -5.676  -5.676
  549   3HG1  VAL  76          2HG1      VAL  76  -1.012  -6.331  -6.331
  550   1HG2  VAL  76          2HG2      VAL  76   1.010  -9.408  -9.408
  551   2HG2  VAL  76          3HG2      VAL  76  -0.588  -8.698  -8.698
  552   3HG2  VAL  76          1HG2      VAL  76   0.779  -8.086  -8.086
  553    H    LYS  77           HN       LYS  77   3.418  -9.281  -9.281
  554    HA   LYS  77           HA       LYS  77   3.230 -10.949 -10.949
  555   1HB   LYS  77          1HB       LYS  77   4.921 -11.440 -11.440
  556   2HB   LYS  77          2HB       LYS  77   4.315 -12.617 -12.617
  557   1HG   LYS  77          2HG       LYS  77   1.938 -11.851 -11.851
  558   2HG   LYS  77          1HG       LYS  77   2.761 -11.092 -11.092
  559   1HD   LYS  77          2HD       LYS  77   2.871 -14.054 -14.054
  560   2HD   LYS  77          1HD       LYS  77   1.930 -13.326 -13.326
  561   1HE   LYS  77          2HE       LYS  77   4.064 -12.519 -12.519
  562   2HE   LYS  77          1HE       LYS  77   4.981 -13.355 -13.355
  563   1HZ   LYS  77          2HZ       LYS  77   4.012 -15.403 -15.403
  564   2HZ   LYS  77          1HZ       LYS  77   3.168 -14.632 -14.632
  565   3HZ   LYS  77          3HZ       LYS  77   4.815 -14.663 -14.663
  566    H    ASP  78           HN       ASP  78   5.550  -8.616  -8.616
  567    HA   ASP  78           HA       ASP  78   7.560  -9.393  -9.393
  568   1HB   ASP  78          1HB       ASP  78   8.025  -9.429  -9.429
  569   2HB   ASP  78          2HB       ASP  78   9.322  -9.323  -9.323
  570    HA   PRO  79           HA       PRO  79   7.239  -4.787  -4.787
  571   1HB   PRO  79          2HB       PRO  79   6.710  -3.987  -3.987
  572   2HB   PRO  79          1HB       PRO  79   5.437  -4.370  -4.370
  573   1HG   PRO  79          1HG       PRO  79   6.679  -6.215  -6.215
  574   2HG   PRO  79          2HG       PRO  79   4.944  -5.886  -5.886
  575   1HD   PRO  79          1HD       PRO  79   6.053  -8.074  -8.074
  576   2HD   PRO  79          2HD       PRO  79   4.967  -7.057  -7.057
  577    H    GLY  80           H        GLY  80   8.956  -3.434  -3.434
  578   1HA   GLY  80          1HA       GLY  80  11.050  -2.812  -2.812
  579   2HA   GLY  80          2HA       GLY  80  10.967  -4.102  -4.102
  580    H    ALA  81           H        ALA  81  10.992  -6.400  -6.400
  581    HA   ALA  81           HA       ALA  81  13.530  -6.874  -6.874
  582   1HB   ALA  81          3HB       ALA  81  10.998  -8.536  -8.536
  583   2HB   ALA  81          1HB       ALA  81  12.604  -9.121  -9.121
  584   3HB   ALA  81          2HB       ALA  81  12.306  -8.622  -8.622
  585    H    PHE  82           H        PHE  82  10.342  -6.608  -6.608
  586    HA   PHE  82           HA       PHE  82  11.047  -6.918  -6.918
  587   1HB   PHE  82          1HB       PHE  82   8.780  -6.578  -6.578
  588   2HB   PHE  82          2HB       PHE  82   9.144  -4.915  -4.915
  589    HD1  PHE  82           HD2      PHE  82   9.318  -3.199  -3.199
  590    HD2  PHE  82           HD1      PHE  82   8.348  -7.307  -7.307
  591    HE1  PHE  82           HE2      PHE  82   8.680  -2.548  -2.548
  592    HE2  PHE  82           HE1      PHE  82   7.611  -6.619  -6.619
  593    HZ   PHE  82           HZ       PHE  82   7.818  -4.258  -4.258
  594    H    LEU  83           H        LEU  83  11.159  -3.845  -3.845
  595    HA   LEU  83           HA       LEU  83  12.141  -2.242  -2.242
  596   1HB   LEU  83          2HB       LEU  83  12.127  -1.882  -1.882
  597   2HB   LEU  83          1HB       LEU  83  12.758  -0.754  -0.754
  598    HG   LEU  83           HG       LEU  83  10.243  -1.187  -1.187
  599   1HD1  LEU  83          3HD2      LEU  83  10.042  -1.065  -1.065
  600   2HD1  LEU  83          1HD2      LEU  83   8.699  -0.856  -0.856
  601   3HD1  LEU  83          2HD2      LEU  83   9.534  -2.426  -2.426
  602   1HD2  LEU  83          1HD1      LEU  83  11.140   0.958   0.958
  603   2HD2  LEU  83          3HD1      LEU  83  11.390   0.986   0.986
  604   3HD2  LEU  83          2HD1      LEU  83   9.748   1.066   1.066
  605    H    LYS  84           HN       LYS  84  13.771  -3.892  -3.892
  606    HA   LYS  84           HA       LYS  84  16.371  -2.960  -2.960
  607   1HB   LYS  84          2HB       LYS  84  15.417  -5.648  -5.648
  608   2HB   LYS  84          1HB       LYS  84  17.089  -5.084  -5.084
  609   1HG   LYS  84          1HG       LYS  84  16.503  -3.226  -3.226
  610   2HG   LYS  84          2HG       LYS  84  14.763  -3.536  -3.536
  611   1HD   LYS  84          2HD       LYS  84  15.133  -5.819  -5.819
  612   2HD   LYS  84          1HD       LYS  84  16.808  -5.352  -5.352
  613   1HE   LYS  84          2HE       LYS  84  14.267  -4.163  -4.163
  614   2HE   LYS  84          1HE       LYS  84  15.533  -5.074  -5.074
  615   1HZ   LYS  84          3HZ       LYS  84  17.033  -3.199  -3.199
  616   2HZ   LYS  84          2HZ       LYS  84  15.721  -2.396  -2.396
  617   3HZ   LYS  84          1HZ       LYS  84  15.796  -2.791  -2.791
  618    H    GLU  85           HN       GLU  85  14.681  -5.809  -5.809
  619    HA   GLU  85           HA       GLU  85  16.768  -6.697  -6.697
  620   1HB   GLU  85          1HB       GLU  85  14.786  -8.037  -8.037
  621   2HB   GLU  85          2HB       GLU  85  13.744  -6.981  -6.981
  622   1HG   GLU  85          1HG       GLU  85  15.115  -7.632  -7.632
  623   2HG   GLU  85          2HG       GLU  85  15.945  -8.815  -8.815
  624    H    LYS  86           HN       LYS  86  13.762  -4.881  -4.881
  625    HA   LYS  86           HA       LYS  86  14.591  -4.491  -4.491
  626   1HB   LYS  86          2HB       LYS  86  12.724  -2.874  -2.874
  627   2HB   LYS  86          1HB       LYS  86  12.777  -2.767  -2.767
  628   1HG   LYS  86          2HG       LYS  86  12.258  -5.423  -5.423
  629   2HG   LYS  86          1HG       LYS  86  11.003  -4.269  -4.269
  630   1HD   LYS  86          1HD       LYS  86  11.743  -4.388  -4.388
  631   2HD   LYS  86          2HD       LYS  86  12.812  -5.718  -5.718
  632   1HE   LYS  86          1HE       LYS  86   9.770  -5.628  -5.628
  633   2HE   LYS  86          2HE       LYS  86  10.779  -6.664  -6.664
  634   1HZ   LYS  86          1HZ       LYS  86  11.588  -7.706  -7.706
  635   2HZ   LYS  86          2HZ       LYS  86  10.552  -6.775  -6.775
  636   3HZ   LYS  86          3HZ       LYS  86   9.959  -7.869  -7.869
  637    H    LEU  87           H        LEU  87  15.171  -2.367  -2.367
  638    HA   LEU  87           HA       LEU  87  16.413  -0.328  -0.328
  639   1HB   LEU  87          2HB       LEU  87  14.965   0.031   0.031
  640   2HB   LEU  87          1HB       LEU  87  16.348  -0.562  -0.562
  641    HG   LEU  87           HG       LEU  87  17.704   1.348   1.348
  642   1HD1  LEU  87          3HD2      LEU  87  15.099   2.216   2.216
  643   2HD1  LEU  87          2HD2      LEU  87  16.507   3.267   3.267
  644   3HD1  LEU  87          1HD2      LEU  87  16.640   1.865   1.865
  645   1HD2  LEU  87          1HD1      LEU  87  16.456   1.510   1.510
  646   2HD2  LEU  87          3HD1      LEU  87  16.534   3.080   3.080
  647   3HD2  LEU  87          2HD1      LEU  87  15.035   2.129   2.129
  648    H    ASP  88           HN       ASP  88  17.448  -3.307  -3.307
  649    HA   ASP  88           HA       ASP  88  19.384  -4.262  -4.262
  650   1HB   ASP  88          1HB       ASP  88  19.748  -3.829  -3.829
  651   2HB   ASP  88          2HB       ASP  88  20.464  -2.254  -2.254
  652    H    ASP  89           HN       ASP  89  18.684  -2.833  -2.833
  653    HA   ASP  89           HA       ASP  89  21.125  -1.489  -1.489
  654   1HB   ASP  89          1HB       ASP  89  19.751   0.266   0.266
  655   2HB   ASP  89          2HB       ASP  89  18.340  -0.277  -0.277
  656    H    LYS  90           HN       LYS  90  21.069  -1.197  -1.197
  657    HA   LYS  90           HA       LYS  90  19.703  -3.381  -3.381
  658   1HB   LYS  90          2HB       LYS  90  22.188  -3.209  -3.209
  659   2HB   LYS  90          1HB       LYS  90  22.049  -1.561  -1.561
  660   1HG   LYS  90          2HG       LYS  90  20.938  -2.452  -2.452
  661   2HG   LYS  90          1HG       LYS  90  20.953  -4.072  -4.072
  662   1HD   LYS  90          1HD       LYS  90  22.779  -3.848  -3.848
  663   2HD   LYS  90          2HD       LYS  90  23.397  -4.107  -4.107
  664   1HE   LYS  90          2HE       LYS  90  24.704  -2.422  -2.422
  665   2HE   LYS  90          1HE       LYS  90  24.029  -1.758  -1.758
  666   1HZ   LYS  90          2HZ       LYS  90  22.892  -1.428  -1.428
  667   2HZ   LYS  90          3HZ       LYS  90  23.752  -0.292  -0.292
  668   3HZ   LYS  90          1HZ       LYS  90  22.280  -0.781  -0.781
  669    H    LYS  91           HN       LYS  91  20.250   0.170   0.170
  670    HA   LYS  91           HA       LYS  91  18.663   0.711   0.711
  671   1HB   LYS  91          1HB       LYS  91  19.949   2.571   2.571
  672   2HB   LYS  91          2HB       LYS  91  19.241   3.045   3.045
  673   1HG   LYS  91          2HG       LYS  91  20.900   1.640   1.640
  674   2HG   LYS  91          1HG       LYS  91  21.662   1.222   1.222
  675   1HD   LYS  91          2HD       LYS  91  22.064   3.632   3.632
  676   2HD   LYS  91          1HD       LYS  91  21.380   4.051   4.051
  677   1HE   LYS  91          2HE       LYS  91  23.844   2.294   2.294
  678   2HE   LYS  91          1HE       LYS  91  23.869   4.000   4.000
  679   1HZ   LYS  91          1HZ       LYS  91  22.712   3.415   3.415
  680   2HZ   LYS  91          3HZ       LYS  91  22.704   1.821   1.821
  681   3HZ   LYS  91          2HZ       LYS  91  24.131   2.589   2.589
  682    H    ALA  92           H        ALA  92  17.155  -0.684  -0.684
  683    HA   ALA  92           HA       ALA  92  15.351   1.399   1.399
  684   1HB   ALA  92          3HB       ALA  92  16.449  -0.149  -0.149
  685   2HB   ALA  92          1HB       ALA  92  15.559  -1.475  -1.475
  686   3HB   ALA  92          2HB       ALA  92  14.679  -0.163  -0.163
  687    H    LYS  93           HN       LYS  93  13.634   1.716   1.716
  688    HA   LYS  93           HA       LYS  93  12.423  -0.654  -0.654
  689   1HB   LYS  93          1HB       LYS  93  12.045   0.711   0.711
  690   2HB   LYS  93          2HB       LYS  93  13.765   0.697   0.697
  691   1HG   LYS  93          1HG       LYS  93  13.649   2.914   2.914
  692   2HG   LYS  93          2HG       LYS  93  11.900   2.983   2.983
  693   1HD   LYS  93          1HD       LYS  93  13.968   2.908   2.908
  694   2HD   LYS  93          2HD       LYS  93  13.019   4.303   4.303
  695   1HE   LYS  93          2HE       LYS  93  12.005   1.803   1.803
  696   2HE   LYS  93          1HE       LYS  93  12.037   3.460   3.460
  697   1HZ   LYS  93          1HZ       LYS  93  10.442   4.040   4.040
  698   2HZ   LYS  93          3HZ       LYS  93  10.397   2.480   2.480
  699   3HZ   LYS  93          2HZ       LYS  93   9.866   2.841   2.841
  700    H    THR  94           H        THR  94  10.236   0.244   0.244
  701    HA   THR  94           HA       THR  94   8.677   2.069   2.069
  702    HB   THR  94           HB       THR  94   8.390   0.175   0.175
  703    HG1  THR  94           HG1      THR  94   6.173  -0.212  -0.212
  704   1HG2  THR  94          1HG2      THR  94   9.167  -1.670  -1.670
  705   2HG2  THR  94          3HG2      THR  94   7.665  -1.522  -1.522
  706   3HG2  THR  94          2HG2      THR  94   7.606  -2.022  -2.022
  707    H    GLY  95           H        GLY  95   6.841   2.665   2.665
  708   1HA   GLY  95          1HA       GLY  95   7.039   2.065   2.065
  709   2HA   GLY  95          2HA       GLY  95   5.750   2.952   2.952
  710    H    MET  96           H        MET  96   5.666   0.300   0.300
  711    HA   MET  96           HA       MET  96   3.392  -0.727  -0.727
  712   1HB   MET  96          1HB       MET  96   4.001  -0.618  -0.618
  713   2HB   MET  96          2HB       MET  96   5.079  -1.983  -1.983
  714   1HG   MET  96          1HG       MET  96   3.341  -3.459  -3.459
  715   2HG   MET  96          2HG       MET  96   2.247  -2.236  -2.236
  716   1HE   MET  96          1HE       MET  96   3.073  -4.524  -4.524
  717   2HE   MET  96          3HE       MET  96   1.385  -4.614  -4.614
  718   3HE   MET  96          2HE       MET  96   1.738  -4.123  -4.123
  719    H    ALA  97           H        ALA  97   4.283  -1.198  -1.198
  720    HA   ALA  97           HA       ALA  97   5.730  -3.688  -3.688
  721   1HB   ALA  97          1HB       ALA  97   5.793  -1.842  -1.842
  722   2HB   ALA  97          2HB       ALA  97   4.051  -2.028  -2.028
  723   3HB   ALA  97          3HB       ALA  97   5.176  -3.331  -3.331
  724    H    PHE  98           H        PHE  98   4.005  -4.531  -4.531
  725    HA   PHE  98           HA       PHE  98   2.329  -6.485  -6.485
  726   1HB   PHE  98          1HB       PHE  98   0.738  -4.647  -4.647
  727   2HB   PHE  98          2HB       PHE  98   1.105  -4.200  -4.200
  728    HD1  PHE  98           HD2      PHE  98   0.177  -5.394  -5.394
  729    HD2  PHE  98           HD1      PHE  98  -0.721  -6.619  -6.619
  730    HE1  PHE  98           HE2      PHE  98  -1.672  -6.803  -6.803
  731    HE2  PHE  98           HE1      PHE  98  -2.601  -7.996  -7.996
  732    HZ   PHE  98           HZ       PHE  98  -3.090  -8.085  -8.085
  733    H    LYS  99           HN       LYS  99   2.330  -8.256  -8.256
  734    HA   LYS  99           HA       LYS  99   2.949  -7.961  -7.961
  735   1HB   LYS  99          2HB       LYS  99   3.685 -10.456 -10.456
  736   2HB   LYS  99          1HB       LYS  99   4.266  -9.861  -9.861
  737   1HG   LYS  99          1HG       LYS  99   5.380  -7.963  -7.963
  738   2HG   LYS  99          2HG       LYS  99   5.061  -8.959  -8.959
  739   1HD   LYS  99          2HD       LYS  99   6.625  -9.878  -9.878
  740   2HD   LYS  99          1HD       LYS  99   7.357  -9.283  -9.283
  741   1HE   LYS  99          1HE       LYS  99   6.296 -11.173 -11.173
  742   2HE   LYS  99          2HE       LYS  99   5.590 -11.764 -11.764
  743   1HZ   LYS  99          3HZ       LYS  99   7.778 -12.036 -12.036
  744   2HZ   LYS  99          1HZ       LYS  99   8.456 -11.497 -11.497
  745   3HZ   LYS  99          2HZ       LYS  99   7.593 -12.901 -12.901
  746    H    LEU 100           H        LEU 100   1.827  -9.628  -9.628
  747    HA   LEU 100           HA       LEU 100  -0.042 -11.390 -11.390
  748   1HB   LEU 100          2HB       LEU 100  -1.311  -9.294  -9.294
  749   2HB   LEU 100          1HB       LEU 100  -0.920  -9.326  -9.326
  750    HG   LEU 100           HG       LEU 100  -2.152 -11.510 -11.510
  751   1HD1  LEU 100          2HD2      LEU 100  -2.897 -10.959 -10.959
  752   2HD1  LEU 100          1HD2      LEU 100  -3.676 -12.161 -12.161
  753   3HD1  LEU 100          3HD2      LEU 100  -1.990 -12.361 -12.361
  754   1HD2  LEU 100          1HD1      LEU 100  -3.236  -9.372  -9.372
  755   2HD2  LEU 100          2HD1      LEU 100  -4.393 -10.513 -10.513
  756   3HD2  LEU 100          3HD1      LEU 100  -3.741  -9.190  -9.190
  757    H    ALA 101           H        ALA 101   0.812 -13.244 -13.244
  758    HA   ALA 101           HA       ALA 101   1.921 -13.444 -13.444
  759   1HB   ALA 101          2HB       ALA 101   2.936 -14.585 -14.585
  760   2HB   ALA 101          1HB       ALA 101   1.467 -15.567 -15.567
  761   3HB   ALA 101          3HB       ALA 101   2.460 -15.729 -15.729
  762    H    LYS 102           HN       LYS 102  -0.693 -12.635 -12.635
  763    HA   LYS 102           HA       LYS 102  -1.834 -14.487 -14.487
  764   1HB   LYS 102          1HB       LYS 102  -3.924 -15.102 -15.102
  765   2HB   LYS 102          2HB       LYS 102  -2.501 -15.844 -15.844
  766   1HG   LYS 102          2HG       LYS 102  -2.482 -14.136 -14.136
  767   2HG   LYS 102          1HG       LYS 102  -3.869 -13.326 -13.326
  768   1HD   LYS 102          2HD       LYS 102  -4.657 -14.639 -14.639
  769   2HD   LYS 102          1HD       LYS 102  -5.256 -15.355 -15.355
  770   1HE   LYS 102          1HE       LYS 102  -3.535 -17.125 -17.125
  771   2HE   LYS 102          2HE       LYS 102  -2.797 -16.341 -16.341
  772   1HZ   LYS 102          1HZ       LYS 102  -5.505 -17.468 -17.468
  773   2HZ   LYS 102          2HZ       LYS 102  -4.198 -18.158 -18.158
  774   3HZ   LYS 102          3HZ       LYS 102  -4.821 -16.751 -16.751
  775    H    GLY 103           H        GLY 103  -4.386 -13.630 -13.630
  776   1HA   GLY 103          1HA       GLY 103  -5.790 -11.857 -11.857
  777   2HA   GLY 103          2HA       GLY 103  -4.765 -10.835 -10.835
  778    H    GLY 104           H        GLY 104  -2.417 -10.740 -10.740
  779   1HA   GLY 104          1HA       GLY 104  -1.925  -8.863  -8.863
  780   2HA   GLY 104          2HA       GLY 104  -1.216 -10.402 -10.402
  781    H    GLU 105           HN       GLU 105  -2.708 -11.695 -11.695
  782    HA   GLU 105           HA       GLU 105  -3.009 -10.077 -10.077
  783   1HB   GLU 105          2HB       GLU 105  -3.938 -12.083 -12.083
  784   2HB   GLU 105          1HB       GLU 105  -2.443 -12.399 -12.399
  785   1HG   GLU 105          1HG       GLU 105  -3.801 -13.363 -13.363
  786   2HG   GLU 105          2HG       GLU 105  -5.263 -13.107 -13.107
  787    H    ASP 106           HN       ASP 106  -5.444 -11.282 -11.282
  788    HA   ASP 106           HA       ASP 106  -7.762 -10.460 -10.460
  789   1HB   ASP 106          2HB       ASP 106  -7.450 -10.967 -10.967
  790   2HB   ASP 106          1HB       ASP 106  -8.949 -10.901 -10.901
  791    H    VAL 107           H        VAL 107  -5.910  -9.144  -9.144
  792    HA   VAL 107           HA       VAL 107  -7.400  -6.730  -6.730
  793    HB   VAL 107           HB       VAL 107  -4.520  -7.429  -7.429
  794   1HG1  VAL 107          3HG2      VAL 107  -6.281  -5.057  -5.057
  795   2HG1  VAL 107          1HG2      VAL 107  -4.852  -5.568  -5.568
  796   3HG1  VAL 107          2HG2      VAL 107  -4.674  -5.011  -5.011
  797   1HG2  VAL 107          3HG1      VAL 107  -6.325  -8.817  -8.817
  798   2HG2  VAL 107          2HG1      VAL 107  -5.430  -7.792  -7.792
  799   3HG2  VAL 107          1HG1      VAL 107  -7.047  -7.306  -7.306
  800    H    ALA 108           H        ALA 108  -4.481  -7.472  -7.472
  801    HA   ALA 108           HA       ALA 108  -4.144  -4.883  -4.883
  802   1HB   ALA 108          2HB       ALA 108  -2.459  -6.652  -6.652
  803   2HB   ALA 108          3HB       ALA 108  -3.535  -7.574  -7.574
  804   3HB   ALA 108          1HB       ALA 108  -2.923  -5.985  -5.985
  805    H    ALA 109           H        ALA 109  -6.124  -7.654  -7.654
  806    HA   ALA 109           HA       ALA 109  -7.165  -6.303  -6.303
  807   1HB   ALA 109          3HB       ALA 109  -8.498  -8.449  -8.449
  808   2HB   ALA 109          2HB       ALA 109  -8.999  -7.942  -7.942
  809   3HB   ALA 109          1HB       ALA 109  -7.416  -8.700  -8.700
  810    H    TYR 110           H        TYR 110  -8.373  -6.392  -6.392
  811    HA   TYR 110           HA       TYR 110 -10.694  -4.801  -4.801
  812   1HB   TYR 110          2HB       TYR 110 -10.476  -5.927  -5.927
  813   2HB   TYR 110          1HB       TYR 110  -8.893  -5.256  -5.256
  814    HD1  TYR 110           HD2      TYR 110 -12.455  -4.164  -4.164
  815    HD2  TYR 110           HD1      TYR 110  -8.707  -3.445  -3.445
  816    HE1  TYR 110           HE2      TYR 110 -13.519  -2.384  -2.384
  817    HE2  TYR 110           HE1      TYR 110  -9.769  -1.666  -1.666
  818    HH   TYR 110           HH       TYR 110 -11.739  -0.618  -0.618
  819    H    LEU 111           H        LEU 111  -7.371  -3.761  -3.761
  820    HA   LEU 111           HA       LEU 111  -7.931  -0.991  -0.991
  821   1HB   LEU 111          1HB       LEU 111  -5.345  -2.502  -2.502
  822   2HB   LEU 111          2HB       LEU 111  -5.440  -0.744  -0.744
  823    HG   LEU 111           HG       LEU 111  -6.513  -2.646  -2.646
  824   1HD1  LEU 111          2HD1      LEU 111  -3.789  -1.305  -1.305
  825   2HD1  LEU 111          1HD1      LEU 111  -4.442  -2.213  -2.213
  826   3HD1  LEU 111          3HD1      LEU 111  -4.112  -3.048  -3.048
  827   1HD2  LEU 111          3HD2      LEU 111  -5.840   0.327   0.327
  828   2HD2  LEU 111          1HD2      LEU 111  -7.449  -0.397  -0.397
  829   3HD2  LEU 111          2HD2      LEU 111  -6.218  -0.613  -0.613
  830    H    ALA 112           H        ALA 112  -6.842  -3.153  -3.153
  831    HA   ALA 112           HA       ALA 112  -6.564  -1.211  -1.211
  832   1HB   ALA 112          2HB       ALA 112  -5.751  -3.507  -3.507
  833   2HB   ALA 112          3HB       ALA 112  -7.419  -4.109  -4.109
  834   3HB   ALA 112          1HB       ALA 112  -6.761  -3.058  -3.058
  835    H    SER 113           H        SER 113  -9.448  -2.967  -2.967
  836    HA   SER 113           HA       SER 113 -11.250  -1.917  -1.917
  837   1HB   SER 113          1HB       SER 113 -11.933  -2.934  -2.934
  838   2HB   SER 113          2HB       SER 113 -13.002  -2.809  -2.809
  839    HG   SER 113           HG       SER 113 -10.673  -4.455  -4.455
  840    H    VAL 114           H        VAL 114 -10.268  -0.932  -0.932
  841    HA   VAL 114           HA       VAL 114 -12.158   1.171   1.171
  842    HB   VAL 114           HB       VAL 114  -9.511   0.450   0.450
  843   1HG1  VAL 114          3HG1      VAL 114 -11.358   2.671   2.671
  844   2HG1  VAL 114          2HG1      VAL 114  -9.975   2.000   2.000
  845   3HG1  VAL 114          1HG1      VAL 114  -9.690   2.875   2.875
  846   1HG2  VAL 114          2HG2      VAL 114 -11.563  -1.002  -1.002
  847   2HG2  VAL 114          1HG2      VAL 114 -10.896  -0.243  -0.243
  848   3HG2  VAL 114          3HG2      VAL 114 -12.355   0.419   0.419
  849    H    VAL 115           H        VAL 115  -8.868   1.225   1.225
  850    HA   VAL 115           HA       VAL 115  -8.747   4.084   4.084
  851    HB   VAL 115           HB       VAL 115  -6.784   2.806   2.806
  852   1HG1  VAL 115          1HG2      VAL 115  -7.487   1.759   1.759
  853   2HG1  VAL 115          2HG2      VAL 115  -5.907   1.659   1.659
  854   3HG1  VAL 115          3HG2      VAL 115  -7.302   0.870   0.870
  855   1HG2  VAL 115          2HG1      VAL 115  -6.849   5.108   5.108
  856   2HG2  VAL 115          1HG1      VAL 115  -5.540   4.070   4.070
  857   3HG2  VAL 115          3HG1      VAL 115  -6.989   4.324   4.324
  858    H    LYS 116           HN       LYS 116 -10.741   4.767   4.767
  859    HA   LYS 116           HA       LYS 116 -11.103   5.054   5.054
  860   1HB   LYS 116          1HB       LYS 116 -13.514   4.890   4.890
  861   2HB   LYS 116          2HB       LYS 116 -12.755   3.402   3.402
  862   1HG   LYS 116          2HG       LYS 116 -12.897   4.319   4.319
  863   2HG   LYS 116          1HG       LYS 116 -13.715   5.754   5.754
  864   1HD   LYS 116          2HD       LYS 116 -15.640   4.471   4.471
  865   2HD   LYS 116          1HD       LYS 116 -14.795   2.933   2.933
  866   1HE   LYS 116          1HE       LYS 116 -16.365   3.556   3.556
  867   2HE   LYS 116          2HE       LYS 116 -14.688   3.282   3.282
  868   1HZ   LYS 116          2HZ       LYS 116 -15.871   5.926   5.926
  869   2HZ   LYS 116          3HZ       LYS 116 -15.638   5.234   5.234
  870   3HZ   LYS 116          1HZ       LYS 116 -14.342   5.622   5.622
  871    HHA  HEC 117           HHA      HEM 117   3.048   2.264   2.264
  872    HHB  HEC 117           HHB      HEM 117  -0.723  -2.221  -2.221
  873    HHC  HEC 117           HHC      HEM 117  -2.385  -4.138  -4.138
  874    HHD  HEC 117           HHD      HEM 117   1.140   0.560   0.560
  875   1HMA  HEC 117          1HMA      HEM 117  -0.128  -0.516  -0.516
  876   2HMA  HEC 117          2HMA      HEM 117   1.504   0.040   0.040
  877   3HMA  HEC 117          3HMA      HEM 117   1.246  -1.647  -1.647
  878   1HAA  HEC 117          1HAA      HEM 117   3.531   2.118   2.118
  879   2HAA  HEC 117          2HAA      HEM 117   3.159   1.241   1.241
  880   1HBA  HEC 117          1HBA      HEM 117   1.411   3.415   3.415
  881   2HBA  HEC 117          2HBA      HEM 117   1.056   2.513   2.513
  882   1HMB  HEC 117          1HMB      HEM 117  -2.748  -2.961  -2.961
  883   2HMB  HEC 117          2HMB      HEM 117  -2.622  -4.694  -4.694
  884   3HMB  HEC 117          3HMB      HEM 117  -4.024  -3.735  -3.735
  885    HAB  HEC 117           HAB      HEM 117  -3.551  -5.244  -5.244
  886   1HBB  HEC 117          1HBB      HEM 117  -4.009  -7.122  -7.122
  887   2HBB  HEC 117          2HBB      HEM 117  -2.279  -6.729  -6.729
  888   3HBB  HEC 117          3HBB      HEM 117  -3.398  -6.292  -6.292
  889   1HMC  HEC 117          1HMC      HEM 117  -2.613  -4.317  -4.317
  890   2HMC  HEC 117          2HMC      HEM 117  -3.305  -2.860  -2.860
  891   3HMC  HEC 117          3HMC      HEM 117  -1.955  -3.710  -3.710
  892    HAC  HEC 117           HAC      HEM 117  -1.438  -1.664  -1.664
  893   1HBC  HEC 117          1HBC      HEM 117   0.962  -2.268  -2.268
  894   2HBC  HEC 117          2HBC      HEM 117   1.400  -0.580  -0.580
  895   3HBC  HEC 117          3HBC      HEM 117   0.450  -0.990  -0.990
  896   1HMD  HEC 117          1HMD      HEM 117   1.751   3.354   3.354
  897   2HMD  HEC 117          2HMD      HEM 117   2.841   2.035   2.035
  898   3HMD  HEC 117          3HMD      HEM 117   3.479   3.428   3.428
  899   1HAD  HEC 117          1HAD      HEM 117   3.478   4.380   4.380
  900   2HAD  HEC 117          2HAD      HEM 117   3.110   4.147   4.147
  901   1HBD  HEC 117          1HBD      HEM 117   5.254   2.415   2.415
  902   2HBD  HEC 117          2HBD      HEM 117   5.165   3.135   3.135