*HEADER    CELL ADHESION                           25-AUG-11   2LI9              
*TITLE     METAL BINDING DOMAIN OF RAT BETA-AMYLOID                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 672-687;                                      
*COMPND   5 SYNONYM: ABPP, APP, ALZHEIMER DISEASE AMYLOID A4 PROTEIN HOMOLOG,    
*COMPND   6 AMYLOIDOGENIC GLYCOPROTEIN, AG;                                      
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   4 ORGANISM_COMMON: BROWN RAT,RAT,RATS;                                 
*SOURCE   5 ORGANISM_TAXID: 10116                                                
*KEYWDS    ALZHEIMER'S DISEASE, DIMER FORMATION, ZINC BINDING, CELL ADHESION     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.POLSHAKOV, A.ISTRATE, S.KOZIN, A.MAKAROV                            
*REVDAT   2   08-FEB-12 2LI9    1                                                
*REVDAT   1   18-JAN-12 2LI9    0                                                

!Medium-range NOEs chain A
assign (resid   3 and segid A  and name Ha  ) (resid   6 and segid A  and name Hb* )  3.5  3.5  0.0 !  154 Rat16_
assign (resid   2 and segid A  and name H   ) (resid   4 and segid A  and name Hd* )  4.0  4.0  0.0 !  180 Rat16_
assign (resid   2 and segid A  and name Hb* ) (resid   6 and segid A  and name Hd2 )  4.5  4.5  0.0 !  200 Rat16_
assign (resid   2 and segid A  and name Hb* ) (resid   6 and segid A  and name Hb* )  3.5  3.5  0.0 !   24 Rat16_
assign (resid   3 and segid A  and name Hb* ) (resid   6 and segid A  and name Hb* )  3.5  3.5  0.0 !  163 Rat16_
assign (resid   3 and segid A  and name Hb* ) (resid   6 and segid A  and name Hb* )  4.5  4.5  0.0 !  164 Rat16_
assign (resid  10 and segid A  and name He* ) (resid   8 and segid A  and name Hb* )  4.5  4.5  0.0 !  190 
assign (resid   8 and segid A  and name Hb* ) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !   61 Rat16_
assign (resid   8 and segid A  and name Hb* ) (resid  10 and segid A  and name Hd* )  4.0  4.0  0.0 !   63 Rat16_
assign (resid   7 and segid A  and name H   ) (resid   6 and segid A  and name Hd2 )  4.5  4.5  0.0!  185 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  13 and segid A  and name Ha  )  6.0  6.0  0.0 !   96 Rat16_
assign (resid  12 and segid A  and name Hg1*) (resid   9 and segid A  and name Ha2 )  3.5  3.5  0.0 !  156 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid   9 and segid A  and name Ha2 )  5.0  5.0  0.0 !  155 Rat16_
assign (resid  12 and segid A  and name Hg1*) (resid  10 and segid A  and name He* )  6.0  6.0  0.0 !  121 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid  10 and segid A  and name Hd* )  6.0  6.0  0.0 !  197 Rat16
assign (resid  12 and segid A  and name Hg1*) (resid  10 and segid A  and name Hd* )  5.5  5.5  0.0 !  196 Rat16_
assign (resid  15 and segid A  and name Hg* ) (resid  12 and segid A  and name Ha  )  5.5  5.5  0.0 !   30 Rat16_

!Sequential NOEs chain A
assign (resid   1 and segid A  and name Ha  ) (resid   2 and segid A  and name H   )  2.5  2.5  0.0 !   10 Rat16_
assign (resid   1 and segid A  and name Hb* ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   45 Rat16_
assign (resid   1 and segid A  and name Hb* ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   44 Rat16_
assign (resid   2 and segid A  and name Hb* ) (resid   1 and segid A  and name Ha  )  4.5  4.5  0.0 !   38 Rat16_
assign (resid   2 and segid A  and name Hb* ) (resid   3 and segid A  and name H   )  4.0  4.0  0.0 !   26 Rat16_
assign (resid   3 and segid A  and name H   ) (resid   4 and segid A  and name Hd* )  4.5  4.5  0.0 !  183 Rat16_
assign (resid   3 and segid A  and name Ha  ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !   42 Rat16_
assign (resid   4 and segid A  and name Hb* ) (resid   5 and segid A  and name H   )  3.5  3.5  0.0 !   46 Rat16_
assign (resid   5 and segid A  and name Ha* ) (resid   4 and segid A  and name Hd* )  3.5  3.5  0.0 !   65 Rat16_
assign (resid   5 and segid A  and name Ha* ) (resid   4 and segid A  and name Hd* )  4.5  4.5  0.0 !  194 Rat16_
assign (resid   5 and segid A  and name Ha1 ) (resid   6 and segid A  and name H   )  3.5  3.5  0.0 !   37 Rat16_
assign (resid   5 and segid A  and name Ha2 ) (resid   6 and segid A  and name H   )  3.0  3.0  0.0 !   35 Rat16_
assign (resid   6 and segid A  and name Hb* ) (resid   7 and segid A  and name H   )  4.0  4.0  0.0 !   98 Rat16_
assign (resid   6 and segid A  and name Ha  ) (resid   7 and segid A  and name H   )  2.5  2.5  0.0 !   39 Rat16_
assign (resid   7 and segid A  and name Ha  ) (resid   6 and segid A  and name Hd2 )  5.0  5.0  0.0 !  121 Rat16
assign (resid   7 and segid A  and name Ha  ) (resid   8 and segid A  and name H   )  3.0  3.0  0.0 !   90 Rat16_
assign (resid   9 and segid A  and name H   ) (resid  10 and segid A  and name H   )  2.5  2.5  0.0 !   22 Rat16_
assign (resid   9 and segid A  and name Ha1 ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !   13 Rat16_
assign (resid   9 and segid A  and name Ha2 ) (resid  10 and segid A  and name H   )  3.0  3.0  0.0 !   15 Rat16_
assign (resid  11 and segid A  and name Hb* ) (resid  10 and segid A  and name Ha  )  5.5  5.5  0.0 !  101 Rat16_
assign (resid  11 and segid A  and name Hg* ) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !  100 Rat16_
assign (resid  11 and segid A  and name Hb* ) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !  198 Rat16_
assign (resid  11 and segid A  and name Ha  ) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !  59 Rat16_
assign (resid  11 and segid A  and name Ha  ) (resid  12 and segid A  and name H   )  3.5  3.5  0.0 !   43 Rat16_
assign (resid  11 and segid A  and name Hg* ) (resid  12 and segid A  and name Ha  )  4.5  4.5  0.0 !   39 Rat16_
assign (resid  12 and segid A  and name Hg1*) (resid  13 and segid A  and name H   )  4.0  4.0  0.0 !   27 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid  13 and segid A  and name Hd* )  5.0  5.0  0.0 !  165 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !   28 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid  13 and segid A  and name Ha  )  4.5  4.5  0.0 !   69 Rat16_
assign (resid  12 and segid A  and name Hg1*) (resid  13 and segid A  and name Ha  )  4.5  4.5  0.0 !   37 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  12 and segid A  and name Ha  )  5.0  5.0  0.0 !   78 Rat16_
assign (resid  13 and segid A  and name Hb* ) (resid  14 and segid A  and name Hd2 )  5.0  5.0  0.0 !  115 Rat16_
assign (resid  13 and segid A  and name Hb* ) (resid  14 and segid A  and name H   )  3.5  3.5  0.0 !  107 Rat16_
assign (resid  13 and segid A  and name Ha  ) (resid  14 and segid A  and name Hd2 )  4.0  4.0  0.0 !  151 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  16 and segid A  and name H   )  4.5  4.5  0.0 !  111 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  16 and segid A  and name H   )  4.5  4.5  0.0 !  110 Rat16_

!Intra-residue NOEs chain A
assign (resid   1 and segid A  and name Ha  ) (resid   1 and segid A  and name Hb* )  3.5  3.5  0.0 !   76 Rat16_
assign (resid   1 and segid A  and name Ha  ) (resid   1 and segid A  and name Hb* )  3.5  3.5  0.0 !   75 Rat16_
assign (resid   3 and segid A  and name Ha  ) (resid   3 and segid A  and name Hb* )  3.5  3.5  0.0 !  106 Rat16_
assign (resid   3 and segid A  and name Ha  ) (resid   3 and segid A  and name Hb* )  3.5  3.5  0.0 !  107 Rat16_
assign (resid   4 and segid A  and name Ha  ) (resid   4 and segid A  and name Hb* )  3.5  3.5  0.0 !   83 Rat16_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name Hb* )  3.5  3.5  0.0 !   46 Rat16_
assign (resid   7 and segid A  and name Ha  ) (resid   7 and segid A  and name Hb* )  3.5  3.5  0.0 !   78 Rat16_
assign (resid   7 and segid A  and name Ha  ) (resid   7 and segid A  and name Hb* )  3.5  3.5  0.0 !   77 Rat16_
assign (resid   8 and segid A  and name Ha  ) (resid   8 and segid A  and name Hb* )  3.5  3.5  0.0 !   98 Rat16_
assign (resid   8 and segid A  and name Ha  ) (resid   8 and segid A  and name Hb* )  3.5  3.5  0.0 !   97 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb* )  2.5  2.5  0.0 !   84 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb* )  2.5  2.5  0.0 !   82 Rat16_
assign (resid  11 and segid A  and name Ha  ) (resid  11 and segid A  and name Hb* )  2.5  2.5  0.0 !   16 Rat16_
assign (resid  12 and segid A  and name Ha  ) (resid  12 and segid A  and name Hb  )  2.5  2.5  0.0 !   71 Rat16_
assign (resid  13 and segid A  and name Ha  ) (resid  13 and segid A  and name Hb* )  2.5  2.5  0.0 !   72 Rat16_
assign (resid  14 and segid A  and name Ha  ) (resid  14 and segid A  and name Hb* )  3.5  3.5  0.0 !   86 Rat16_
assign (resid  14 and segid A  and name Ha  ) (resid  14 and segid A  and name Hb* )  2.5  2.5  0.0 !   85 Rat16_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name Hb* )  3.5  3.5  0.0 !  103 Rat16_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name Hb* )  3.5  3.5  0.0 !  102 Rat16_
assign (resid  16 and segid A  and name Ha  ) (resid  16 and segid A  and name Hb* )  3.5  3.5  0.0 !   19 Rat16_
assign (resid  16 and segid A  and name Ha  ) (resid  16 and segid A  and name Hb* )  3.5  3.5  0.0 !   14 Rat16_

!Other intra-residue NOEs chain A
assign (resid   2 and segid A  and name Ha  ) (resid   2 and segid A  and name H   )  2.5  2.5  0.0 !  106 Rat16_
assign (resid   2 and segid A  and name Hb* ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   25 Rat16_
assign (resid   3 and segid A  and name Ha  ) (resid   3 and segid A  and name H   )  3.0  3.0  0.0 !    4 Rat16_
assign (resid   3 and segid A  and name Hg* ) (resid   3 and segid A  and name Ha  )  2.5  2.5  0.0 !  123 Rat16_
assign (resid   4 and segid A  and name Hb* ) (resid   4 and segid A  and name He* )  4.5  4.5  0.0 !   55 Rat16_
assign (resid   4 and segid A  and name Hb* ) (resid   4 and segid A  and name H   )  3.0  3.0  0.0 !  100 Rat16_
assign (resid   4 and segid A  and name Hb* ) (resid   4 and segid A  and name Hd* )  2.5  2.5  0.0 !   91 Rat16_
assign (resid   4 and segid A  and name Hd* ) (resid   4 and segid A  and name H   )  4.0  4.0  0.0 !  182 Rat16_
assign (resid   4 and segid A  and name Ha  ) (resid   4 and segid A  and name Hd* )  4.0  4.0  0.0 !   93 Rat16_
assign (resid   5 and segid A  and name Ha1 ) (resid   5 and segid A  and name H   )  2.5  2.5  0.0 !    9 Rat16_
assign (resid   5 and segid A  and name Ha2 ) (resid   5 and segid A  and name H   )  3.0  3.0  0.0 !    8 Rat16_
assign (resid   6 and segid A  and name Hb* ) (resid   6 and segid A  and name H   )  2.5  2.5  0.0 !   36 Rat16_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name H   )  3.0  3.0  0.0 !   38 Rat16_
assign (resid   6 and segid A  and name H   ) (resid   6 and segid A  and name Hd2 )  5.0  5.0  0.0 !  192 Rat16_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name Hd2 )  4.0  4.0  0.0 !  120 Rat16_
assign (resid   6 and segid A  and name Hb* ) (resid   6 and segid A  and name Hd2 )  3.0  3.0  0.0 !   92 Rat16_
assign (resid   7 and segid A  and name Hb* ) (resid   7 and segid A  and name H   )  3.5  3.5  0.0 !   97 Rat16_
assign (resid   7 and segid A  and name Hb* ) (resid   7 and segid A  and name H   )  3.5  3.5  0.0 !   96 Rat16_
assign (resid   7 and segid A  and name Ha  ) (resid   7 and segid A  and name H   )  3.0  3.0  0.0 !   2 Rat
assign (resid   9 and segid A  and name Ha1 ) (resid   9 and segid A  and name H   )  3.0  3.0  0.0 !   16 Rat16_
assign (resid   9 and segid A  and name Ha2 ) (resid   9 and segid A  and name H   )  2.5  2.5  0.0 !   14 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name H   )  3.0  3.0  0.0 !   19 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name He* )  6.0  6.0  0.0 !  122 Rat16
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !   18 Rat16_
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !   17 Rat16_
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name He* )  3.5  3.5  0.0 !  104 Rat16_
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name He* )  4.0  4.0  0.0 !  103 Rat16_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name Hd* )  4.0  4.0  0.0 !   94 Rat16_
assign (resid  10 and segid A  and name Hz  ) (resid  10 and segid A  and name Hd* )  4.0  4.0  0.0 !  114 Rat16_
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name Hd* )  2.5  2.5  0.0 !   89 Rat16_
assign (resid  10 and segid A  and name Hb* ) (resid  10 and segid A  and name Hd* )  2.5  2.5  0.0 !   90 Rat16_
assign (resid  10 and segid A  and name Hd* ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !  179 Rat16_
assign (resid  11 and segid A  and name Hg* ) (resid  11 and segid A  and name Ha  )  3.5  3.5  0.0 !   80 Rat16_
assign (resid  11 and segid A  and name Hb* ) (resid  11 and segid A  and name Hg* )  2.5  2.5  0.0 !   27 Rat16_
assign (resid  12 and segid A  and name Hg2*) (resid  12 and segid A  and name Ha  )  2.5  2.5  0.0 !   66 Rat16_
assign (resid  12 and segid A  and name Hb  ) (resid  12 and segid A  and name H   )  3.5  3.5  0.0 !   32 Rat16_
assign (resid  12 and segid A  and name Ha  ) (resid  12 and segid A  and name H   )  3.0  3.0  0.0 !   12 Rat16_
assign (resid  12 and segid A  and name Hg1*) (resid  12 and segid A  and name Ha  )  3.5  3.5  0.0 !   67 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Hd* )  2.5  2.5  0.0 !  137 Rat16_
assign (resid  13 and segid A  and name Hb* ) (resid  13 and segid A  and name Hd* )  2.5  2.5  0.0 !    9 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Ha  )  3.5  3.5  0.0 !    8 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Ha  )  3.5  3.5  0.0 !  109 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name H   )  4.5  4.5  0.0 !   31 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name H   )  4.0  4.0  0.0 !   30 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Hb* )  3.5  3.5  0.0 !   35 Rat16_
assign (resid  13 and segid A  and name Hb* ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !   29 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Hd* )  3.5  3.5  0.0 !    7 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Hd* )  3.5  3.5  0.0 !    6 Rat16_
assign (resid  13 and segid A  and name Hd* ) (resid  13 and segid A  and name He  )  4.5  4.5  0.0 !  189 Rat16_
assign (resid  13 and segid A  and name Hd* ) (resid  13 and segid A  and name Ha  )  4.0  4.0  0.0 !   81 Rat16_
assign (resid  13 and segid A  and name Hg* ) (resid  13 and segid A  and name Hb* )  3.5  3.5  0.0 !   34 Rat16_
assign (resid  14 and segid A  and name Ha  ) (resid  14 and segid A  and name H   )  2.5  2.5  0.0 !    3 Rat16_
assign (resid  14 and segid A  and name Hd2 ) (resid  14 and segid A  and name H   )  3.5  3.5  0.0 !  181 Rat16_
assign (resid  14 and segid A  and name Ha  ) (resid  14 and segid A  and name Hd2 )  3.0  3.0  0.0 !   60 Rat16_
assign (resid  14 and segid A  and name Hb* ) (resid  14 and segid A  and name Hd2 )  4.0  4.0  0.0 !   99 Rat16_
assign (resid  14 and segid A  and name Hb* ) (resid  14 and segid A  and name H   )  3.5  3.5  0.0 !  101 Rat16_
assign (resid  14 and segid A  and name Hb* ) (resid  14 and segid A  and name H   )  3.5  3.5  0.0 !   99 Rat16_
assign (resid  14 and segid A  and name Hb* ) (resid  14 and segid A  and name Hd2 )  3.5  3.5  0.0 !   88 Rat16_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name He21)  4.5  4.5  0.0 !   53 Rat16_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !  116 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !  109 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !  108 Rat16_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name H   )  3.0  3.0  0.0 !    5 Rat16_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name Ha  )  3.5  3.5  0.0 !   79 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  15 and segid A  and name Hg* )  3.5  3.5  0.0 !   26 Rat16_
assign (resid  15 and segid A  and name Hb* ) (resid  15 and segid A  and name Hg* )  3.5  3.5  0.0 !   25 Rat16_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name He22)  4.5  4.5  0.0 !   54 Rat16_
assign (resid  16 and segid A  and name Hd* ) (resid  16 and segid A  and name He* )  2.5  2.5  0.0 !  138 Rat16_
assign (resid  16 and segid A  and name Ha  ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   40 Rat16_
assign (resid  16 and segid A  and name Hg* ) (resid  16 and segid A  and name Ha  )  5.5  5.5  0.0 !  108 Rat16_
assign (resid  16 and segid A  and name Hg* ) (resid  16 and segid A  and name Hb* )  4.5  4.5  0.0 !  159 Rat16_
assign (resid  16 and segid A  and name Hb* ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   24 Rat16_
assign (resid  16 and segid A  and name Hg* ) (resid  16 and segid A  and name Hb* )  3.5  3.5  0.0 !   32 Rat16_
assign (resid  16 and segid A  and name Hg* ) (resid  16 and segid A  and name Hb* )  3.5  3.5  0.0 !   33 Rat16_
assign (resid  16 and segid A  and name Hb* ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   23 Rat16_

!Medium-range NOEs chain B
assign (resid   3 and segid B  and name Ha  ) (resid   6 and segid B  and name Hb* )  3.5  3.5  0.0 !  154 Rat16_
assign (resid   2 and segid B  and name H   ) (resid   4 and segid B  and name Hd* )  4.0  4.0  0.0 !  180 Rat16_
assign (resid   2 and segid B  and name Hb* ) (resid   6 and segid B  and name Hd2 )  4.5  4.5  0.0 !  200 Rat16_
assign (resid   2 and segid B  and name Hb* ) (resid   6 and segid B  and name Hb* )  3.5  3.5  0.0 !   24 Rat16_
assign (resid   3 and segid B  and name Hb* ) (resid   6 and segid B  and name Hb* )  3.5  3.5  0.0 !  163 Rat16_
assign (resid   3 and segid B  and name Hb* ) (resid   6 and segid B  and name Hb* )  4.5  4.5  0.0 !  164 Rat16_
assign (resid  10 and segid B  and name He* ) (resid   8 and segid B  and name Hb* )  4.5  4.5  0.0 !  190 
assign (resid   8 and segid B  and name Hb* ) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !   61 Rat16_
assign (resid   8 and segid B  and name Hb* ) (resid  10 and segid B  and name Hd* )  4.0  4.0  0.0 !   63 Rat16_
assign (resid   7 and segid B  and name H   ) (resid   6 and segid B  and name Hd2 )  4.5  4.5  0.0!  185 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  13 and segid B  and name Ha  )  6.0  6.0  0.0 !   96 Rat16_
assign (resid  12 and segid B  and name Hg1*) (resid   9 and segid B  and name Ha2 )  3.5  3.5  0.0 !  156 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid   9 and segid B  and name Ha2 )  5.0  5.0  0.0 !  155 Rat16_
assign (resid  12 and segid B  and name Hg1*) (resid  10 and segid B  and name He* )  6.0  6.0  0.0 !  121 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid  10 and segid B  and name Hd* )  6.0  6.0  0.0 !  197 Rat16
assign (resid  12 and segid B  and name Hg1*) (resid  10 and segid B  and name Hd* )  5.5  5.5  0.0 !  196 Rat16_
assign (resid  15 and segid B  and name Hg* ) (resid  12 and segid B  and name Ha  )  5.5  5.5  0.0 !   30 Rat16_

!Sequential NOEs chain B
assign (resid   1 and segid B  and name Ha  ) (resid   2 and segid B  and name H   )  2.5  2.5  0.0 !   10 Rat16_
assign (resid   1 and segid B  and name Hb* ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   45 Rat16_
assign (resid   1 and segid B  and name Hb* ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   44 Rat16_
assign (resid   2 and segid B  and name Hb* ) (resid   1 and segid B  and name Ha  )  4.5  4.5  0.0 !   38 Rat16_
assign (resid   2 and segid B  and name Hb* ) (resid   3 and segid B  and name H   )  4.0  4.0  0.0 !   26 Rat16_
assign (resid   3 and segid B  and name H   ) (resid   4 and segid B  and name Hd* )  4.5  4.5  0.0 !  183 Rat16_
assign (resid   3 and segid B  and name Ha  ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !   42 Rat16_
assign (resid   4 and segid B  and name Hb* ) (resid   5 and segid B  and name H   )  3.5  3.5  0.0 !   46 Rat16_
assign (resid   5 and segid B  and name Ha* ) (resid   4 and segid B  and name Hd* )  3.5  3.5  0.0 !   65 Rat16_
assign (resid   5 and segid B  and name Ha* ) (resid   4 and segid B  and name Hd* )  4.5  4.5  0.0 !  194 Rat16_
assign (resid   5 and segid B  and name Ha1 ) (resid   6 and segid B  and name H   )  3.5  3.5  0.0 !   37 Rat16_
assign (resid   5 and segid B  and name Ha2 ) (resid   6 and segid B  and name H   )  3.0  3.0  0.0 !   35 Rat16_
assign (resid   6 and segid B  and name Hb* ) (resid   7 and segid B  and name H   )  4.0  4.0  0.0 !   98 Rat16_
assign (resid   6 and segid B  and name Ha  ) (resid   7 and segid B  and name H   )  2.5  2.5  0.0 !   39 Rat16_
assign (resid   7 and segid B  and name Ha  ) (resid   6 and segid B  and name Hd2 )  5.0  5.0  0.0 !  121 Rat16
assign (resid   7 and segid B  and name Ha  ) (resid   8 and segid B  and name H   )  3.0  3.0  0.0 !   90 Rat16_
assign (resid   9 and segid B  and name H   ) (resid  10 and segid B  and name H   )  2.5  2.5  0.0 !   22 Rat16_
assign (resid   9 and segid B  and name Ha1 ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !   13 Rat16_
assign (resid   9 and segid B  and name Ha2 ) (resid  10 and segid B  and name H   )  3.0  3.0  0.0 !   15 Rat16_
assign (resid  11 and segid B  and name Hb* ) (resid  10 and segid B  and name Ha  )  5.5  5.5  0.0 !  101 Rat16_
assign (resid  11 and segid B  and name Hg* ) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !  100 Rat16_
assign (resid  11 and segid B  and name Hb* ) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !  198 Rat16_
assign (resid  11 and segid B  and name Ha  ) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !  59 Rat16_
assign (resid  11 and segid B  and name Ha  ) (resid  12 and segid B  and name H   )  3.5  3.5  0.0 !   43 Rat16_
assign (resid  11 and segid B  and name Hg* ) (resid  12 and segid B  and name Ha  )  4.5  4.5  0.0 !   39 Rat16_
assign (resid  12 and segid B  and name Hg1*) (resid  13 and segid B  and name H   )  4.0  4.0  0.0 !   27 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid  13 and segid B  and name Hd* )  5.0  5.0  0.0 !  165 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !   28 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid  13 and segid B  and name Ha  )  4.5  4.5  0.0 !   69 Rat16_
assign (resid  12 and segid B  and name Hg1*) (resid  13 and segid B  and name Ha  )  4.5  4.5  0.0 !   37 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  12 and segid B  and name Ha  )  5.0  5.0  0.0 !   78 Rat16_
assign (resid  13 and segid B  and name Hb* ) (resid  14 and segid B  and name Hd2 )  5.0  5.0  0.0 !  115 Rat16_
assign (resid  13 and segid B  and name Hb* ) (resid  14 and segid B  and name H   )  3.5  3.5  0.0 !  107 Rat16_
assign (resid  13 and segid B  and name Ha  ) (resid  14 and segid B  and name Hd2 )  4.0  4.0  0.0 !  151 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  16 and segid B  and name H   )  4.5  4.5  0.0 !  111 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  16 and segid B  and name H   )  4.5  4.5  0.0 !  110 Rat16_

!Intra-residue NOEs chain B
assign (resid   1 and segid B  and name Ha  ) (resid   1 and segid B  and name Hb* )  3.5  3.5  0.0 !   76 Rat16_
assign (resid   1 and segid B  and name Ha  ) (resid   1 and segid B  and name Hb* )  3.5  3.5  0.0 !   75 Rat16_
assign (resid   3 and segid B  and name Ha  ) (resid   3 and segid B  and name Hb* )  3.5  3.5  0.0 !  106 Rat16_
assign (resid   3 and segid B  and name Ha  ) (resid   3 and segid B  and name Hb* )  3.5  3.5  0.0 !  107 Rat16_
assign (resid   4 and segid B  and name Ha  ) (resid   4 and segid B  and name Hb* )  3.5  3.5  0.0 !   83 Rat16_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name Hb* )  3.5  3.5  0.0 !   46 Rat16_
assign (resid   7 and segid B  and name Ha  ) (resid   7 and segid B  and name Hb* )  3.5  3.5  0.0 !   78 Rat16_
assign (resid   7 and segid B  and name Ha  ) (resid   7 and segid B  and name Hb* )  3.5  3.5  0.0 !   77 Rat16_
assign (resid   8 and segid B  and name Ha  ) (resid   8 and segid B  and name Hb* )  3.5  3.5  0.0 !   98 Rat16_
assign (resid   8 and segid B  and name Ha  ) (resid   8 and segid B  and name Hb* )  3.5  3.5  0.0 !   97 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb* )  2.5  2.5  0.0 !   84 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb* )  2.5  2.5  0.0 !   82 Rat16_
assign (resid  11 and segid B  and name Ha  ) (resid  11 and segid B  and name Hb* )  2.5  2.5  0.0 !   16 Rat16_
assign (resid  12 and segid B  and name Ha  ) (resid  12 and segid B  and name Hb  )  2.5  2.5  0.0 !   71 Rat16_
assign (resid  13 and segid B  and name Ha  ) (resid  13 and segid B  and name Hb* )  2.5  2.5  0.0 !   72 Rat16_
assign (resid  14 and segid B  and name Ha  ) (resid  14 and segid B  and name Hb* )  3.5  3.5  0.0 !   86 Rat16_
assign (resid  14 and segid B  and name Ha  ) (resid  14 and segid B  and name Hb* )  2.5  2.5  0.0 !   85 Rat16_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name Hb* )  3.5  3.5  0.0 !  103 Rat16_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name Hb* )  3.5  3.5  0.0 !  102 Rat16_
assign (resid  16 and segid B  and name Ha  ) (resid  16 and segid B  and name Hb* )  3.5  3.5  0.0 !   19 Rat16_
assign (resid  16 and segid B  and name Ha  ) (resid  16 and segid B  and name Hb* )  3.5  3.5  0.0 !   14 Rat16_

!Other intra-residue NOEs chain B
assign (resid   2 and segid B  and name Ha  ) (resid   2 and segid B  and name H   )  2.5  2.5  0.0 !  106 Rat16_
assign (resid   2 and segid B  and name Hb* ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   25 Rat16_
assign (resid   3 and segid B  and name Ha  ) (resid   3 and segid B  and name H   )  3.0  3.0  0.0 !    4 Rat16_
assign (resid   3 and segid B  and name Hg* ) (resid   3 and segid B  and name Ha  )  2.5  2.5  0.0 !  123 Rat16_
assign (resid   4 and segid B  and name Hb* ) (resid   4 and segid B  and name He* )  4.5  4.5  0.0 !   55 Rat16_
assign (resid   4 and segid B  and name Hb* ) (resid   4 and segid B  and name H   )  3.0  3.0  0.0 !  100 Rat16_
assign (resid   4 and segid B  and name Hb* ) (resid   4 and segid B  and name Hd* )  2.5  2.5  0.0 !   91 Rat16_
assign (resid   4 and segid B  and name Hd* ) (resid   4 and segid B  and name H   )  4.0  4.0  0.0 !  182 Rat16_
assign (resid   4 and segid B  and name Ha  ) (resid   4 and segid B  and name Hd* )  4.0  4.0  0.0 !   93 Rat16_
assign (resid   5 and segid B  and name Ha1 ) (resid   5 and segid B  and name H   )  2.5  2.5  0.0 !    9 Rat16_
assign (resid   5 and segid B  and name Ha2 ) (resid   5 and segid B  and name H   )  3.0  3.0  0.0 !    8 Rat16_
assign (resid   6 and segid B  and name Hb* ) (resid   6 and segid B  and name H   )  2.5  2.5  0.0 !   36 Rat16_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name H   )  3.0  3.0  0.0 !   38 Rat16_
assign (resid   6 and segid B  and name H   ) (resid   6 and segid B  and name Hd2 )  5.0  5.0  0.0 !  192 Rat16_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name Hd2 )  4.0  4.0  0.0 !  120 Rat16_
assign (resid   6 and segid B  and name Hb* ) (resid   6 and segid B  and name Hd2 )  3.0  3.0  0.0 !   92 Rat16_
assign (resid   7 and segid B  and name Hb* ) (resid   7 and segid B  and name H   )  3.5  3.5  0.0 !   97 Rat16_
assign (resid   7 and segid B  and name Hb* ) (resid   7 and segid B  and name H   )  3.5  3.5  0.0 !   96 Rat16_
assign (resid   7 and segid B  and name Ha  ) (resid   7 and segid B  and name H   )  3.0  3.0  0.0 !   2 Rat
assign (resid   9 and segid B  and name Ha1 ) (resid   9 and segid B  and name H   )  3.0  3.0  0.0 !   16 Rat16_
assign (resid   9 and segid B  and name Ha2 ) (resid   9 and segid B  and name H   )  2.5  2.5  0.0 !   14 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name H   )  3.0  3.0  0.0 !   19 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name He* )  6.0  6.0  0.0 !  122 Rat16
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !   18 Rat16_
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !   17 Rat16_
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name He* )  3.5  3.5  0.0 !  104 Rat16_
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name He* )  4.0  4.0  0.0 !  103 Rat16_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name Hd* )  4.0  4.0  0.0 !   94 Rat16_
assign (resid  10 and segid B  and name Hz  ) (resid  10 and segid B  and name Hd* )  4.0  4.0  0.0 !  114 Rat16_
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name Hd* )  2.5  2.5  0.0 !   89 Rat16_
assign (resid  10 and segid B  and name Hb* ) (resid  10 and segid B  and name Hd* )  2.5  2.5  0.0 !   90 Rat16_
assign (resid  10 and segid B  and name Hd* ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !  179 Rat16_
assign (resid  11 and segid B  and name Hg* ) (resid  11 and segid B  and name Ha  )  3.5  3.5  0.0 !   80 Rat16_
assign (resid  11 and segid B  and name Hb* ) (resid  11 and segid B  and name Hg* )  2.5  2.5  0.0 !   27 Rat16_
assign (resid  12 and segid B  and name Hg2*) (resid  12 and segid B  and name Ha  )  2.5  2.5  0.0 !   66 Rat16_
assign (resid  12 and segid B  and name Hb  ) (resid  12 and segid B  and name H   )  3.5  3.5  0.0 !   32 Rat16_
assign (resid  12 and segid B  and name Ha  ) (resid  12 and segid B  and name H   )  3.0  3.0  0.0 !   12 Rat16_
assign (resid  12 and segid B  and name Hg1*) (resid  12 and segid B  and name Ha  )  3.5  3.5  0.0 !   67 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Hd* )  2.5  2.5  0.0 !  137 Rat16_
assign (resid  13 and segid B  and name Hb* ) (resid  13 and segid B  and name Hd* )  2.5  2.5  0.0 !    9 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Ha  )  3.5  3.5  0.0 !    8 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Ha  )  3.5  3.5  0.0 !  109 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name H   )  4.5  4.5  0.0 !   31 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name H   )  4.0  4.0  0.0 !   30 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Hb* )  3.5  3.5  0.0 !   35 Rat16_
assign (resid  13 and segid B  and name Hb* ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !   29 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Hd* )  3.5  3.5  0.0 !    7 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Hd* )  3.5  3.5  0.0 !    6 Rat16_
assign (resid  13 and segid B  and name Hd* ) (resid  13 and segid B  and name He  )  4.5  4.5  0.0 !  189 Rat16_
assign (resid  13 and segid B  and name Hd* ) (resid  13 and segid B  and name Ha  )  4.0  4.0  0.0 !   81 Rat16_
assign (resid  13 and segid B  and name Hg* ) (resid  13 and segid B  and name Hb* )  3.5  3.5  0.0 !   34 Rat16_
assign (resid  14 and segid B  and name Ha  ) (resid  14 and segid B  and name H   )  2.5  2.5  0.0 !    3 Rat16_
assign (resid  14 and segid B  and name Hd2 ) (resid  14 and segid B  and name H   )  3.5  3.5  0.0 !  181 Rat16_
assign (resid  14 and segid B  and name Ha  ) (resid  14 and segid B  and name Hd2 )  3.0  3.0  0.0 !   60 Rat16_
assign (resid  14 and segid B  and name Hb* ) (resid  14 and segid B  and name Hd2 )  4.0  4.0  0.0 !   99 Rat16_
assign (resid  14 and segid B  and name Hb* ) (resid  14 and segid B  and name H   )  3.5  3.5  0.0 !  101 Rat16_
assign (resid  14 and segid B  and name Hb* ) (resid  14 and segid B  and name H   )  3.5  3.5  0.0 !   99 Rat16_
assign (resid  14 and segid B  and name Hb* ) (resid  14 and segid B  and name Hd2 )  3.5  3.5  0.0 !   88 Rat16_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name He21)  4.5  4.5  0.0 !   53 Rat16_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !  116 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !  109 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !  108 Rat16_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name H   )  3.0  3.0  0.0 !    5 Rat16_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name Ha  )  3.5  3.5  0.0 !   79 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  15 and segid B  and name Hg* )  3.5  3.5  0.0 !   26 Rat16_
assign (resid  15 and segid B  and name Hb* ) (resid  15 and segid B  and name Hg* )  3.5  3.5  0.0 !   25 Rat16_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name He22)  4.5  4.5  0.0 !   54 Rat16_
assign (resid  16 and segid B  and name Hd* ) (resid  16 and segid B  and name He* )  2.5  2.5  0.0 !  138 Rat16_
assign (resid  16 and segid B  and name Ha  ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   40 Rat16_
assign (resid  16 and segid B  and name Hg* ) (resid  16 and segid B  and name Ha  )  5.5  5.5  0.0 !  108 Rat16_
assign (resid  16 and segid B  and name Hg* ) (resid  16 and segid B  and name Hb* )  4.5  4.5  0.0 !  159 Rat16_
assign (resid  16 and segid B  and name Hb* ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   24 Rat16_
assign (resid  16 and segid B  and name Hg* ) (resid  16 and segid B  and name Hb* )  3.5  3.5  0.0 !   32 Rat16_
assign (resid  16 and segid B  and name Hg* ) (resid  16 and segid B  and name Hb* )  3.5  3.5  0.0 !   33 Rat16_
assign (resid  16 and segid B  and name Hb* ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   23 Rat16_

!Zn RESTRAINTS
assign (resid  17  and name ZN  ) (resid   6 and segid A  and name Nd1   )  2.1  0.5  0.5 !   23 Rat16_
assign (resid  17  and name ZN  ) (resid  14 and segid A  and name Ne2   )  2.1  0.5  0.5 !   23 Rat16_
assign (resid  17  and name ZN  ) (resid   6 and segid B  and name Nd1   )  2.1  0.5  0.5 !   23 Rat16_
assign (resid  17  and name ZN  ) (resid  14 and segid B  and name Ne2   )  2.1  0.5  0.5 !   23 Rat16_


!dihedral restraints
assign (resid  7 and segid A  and name   C) (resid  8 and segid A  and name   N)
       (resid  8 and segid A  and name  CA) (resid  8 and segid A  and name   C) 1.0  -140.00    30.00 2  !8phi chainA

assign (resid  7 and segid B  and name   C) (resid  8 and segid B  and name   N)
       (resid  8 and segid B  and name  CA) (resid  8 and segid B  and name   C) 1.0  -140.00    30.00 2  !8phi chainB
       
       
!impropers for Zn coordination taken from QM/MM calculations       
assign (resid 6 and segid A  and name    Nd1) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid  6 and segid B  and name   Nd1) 1.0  120.00    5.00 2
       
assign (resid  6 and segid B  and name   Nd1) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2       

assign (resid 14 and segid A  and name   Ne2) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid  6 and segid A  and name   Nd1) 1.0  120.00    5.00 2       
       
assign (resid 6 and segid B  and name   Nd1) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)           (resid  6 and segid A  and name   Nd1) 1.0  120.00    5.00 2       
       
assign (resid  6 and segid A  and name  Nd1) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)           (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid A  and name  Ne2) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)           (resid  6 and segid B  and name   Nd1) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid B  and name   Ne2) (resid  6 and segid A  and name   Nd1)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid A  and name   Ne2) (resid  6 and segid A  and name   Nd1)
       (resid 17   and name    ZN)            (resid  6 and segid B  and name   Nd1) 1.0  120.00    5.00 2                     
       
assign (resid  6 and segid B  and name   Nd1) (resid  6 and segid A  and name   Nd1)
       (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2                     
       
assign (resid 14 and segid B  and name   Ne2) (resid  6 and segid B  and name   Nd1)
       (resid 17   and name    ZN)            (resid  6 and segid A  and name   Nd1) 1.0  120.00    5.00 2                     
       
assign (resid  6 and segid A  and name   Nd1) (resid  6 and segid B  and name   Nd1)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2       
       
assign (resid 14 and segid A  and name   Ne2) (resid  6 and segid B  and name   Nd1)
       (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid  6 and segid A  and name   Nd1)
       (resid  6 and segid A  and name   Ce1) (resid  6 and segid A  and name   Ne2) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid  6 and segid A  and name   Nd1)
       (resid  6 and segid A  and name    Cg) (resid  6 and segid A  and name   Cd2) 1.0 -180.00    5.00 2              

assign (resid 17  and name     ZN)            (resid 14 and segid A  and name   Ne2)
       (resid 14 and segid A  and name   Ce1) (resid 14 and segid A  and name   Nd1) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2)
       (resid 14 and segid A  and name   Cd2) (resid 14 and segid A  and name    Cg) 1.0 -180.00    5.00 2              

assign (resid 17   and name    ZN)            (resid  6 and segid B  and name   Nd1)
       (resid  6 and segid B  and name   Ce1) (resid  6 and segid B  and name   Ne2) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid  6 and segid B  and name   Nd1)
       (resid  6 and segid B  and name    Cg) (resid  6 and segid B  and name   Cd2) 1.0 -180.00    5.00 2              

assign (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2)
       (resid 14 and segid B  and name   Ce1) (resid 14 and segid B  and name   Nd1) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2)
       (resid 14 and segid B  and name   Cd2) (resid 14 and segid B  and name    Cg) 1.0 -180.00    5.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           H1       ACE   0  33.301  16.244  22.243
    2    H2   ACE   0           H2       ACE   0  34.195  14.735  22.499
    3    H3   ACE   0           H3       ACE   0  34.007  15.406  20.859
    4    H    ASP   1           HN       ASP   1  31.197  15.679  22.881
    5    HA   ASP   1           HA       ASP   1  29.714  13.820  21.230
    6    HB2  ASP   1           HB2      ASP   1  30.993  12.384  22.968
    7    HB3  ASP   1           HB1      ASP   1  29.967  13.129  24.186
    8    H    ALA   2           HN       ALA   2  27.471  13.992  21.456
    9    HA   ALA   2           HA       ALA   2  26.200  15.301  23.676
   10    HB1  ALA   2           HB1      ALA   2  25.195  17.178  22.351
   11    HB2  ALA   2           HB2      ALA   2  26.936  17.355  22.625
   12    HB3  ALA   2           HB3      ALA   2  26.342  16.812  21.046
   13    H    GLU   3           HN       GLU   3  25.997  13.542  20.635
   14    HA   GLU   3           HA       GLU   3  23.253  13.952  20.131
   15    HB2  GLU   3           HB2      GLU   3  24.943  11.682  19.061
   16    HB3  GLU   3           HB1      GLU   3  23.398  12.251  18.452
   17    HG2  GLU   3           HG2      GLU   3  24.765  13.298  16.986
   18    HG3  GLU   3           HG1      GLU   3  24.652  14.575  18.198
   19    H    PHE   4           HN       PHE   4  24.574  11.916  22.517
   20    HA   PHE   4           HA       PHE   4  22.585   9.897  22.741
   21    HB2  PHE   4           HB2      PHE   4  23.332   9.880  25.125
   22    HB3  PHE   4           HB1      PHE   4  24.642   9.774  23.961
   23    HD1  PHE   4           HD1      PHE   4  22.910  12.104  26.323
   24    HD2  PHE   4           HD2      PHE   4  26.375  11.416  23.867
   25    HE1  PHE   4           HE1      PHE   4  24.037  14.050  27.369
   26    HE2  PHE   4           HE2      PHE   4  27.520  13.341  24.941
   27    HZ   PHE   4           HZ       PHE   4  26.347  14.668  26.681
   28    H    GLY   5           HN       GLY   5  22.407  13.343  23.256
   29    HA2  GLY   5           HA2      GLY   5  19.561  13.025  24.061
   30    HA3  GLY   5           HA1      GLY   5  20.589  14.277  24.772
   31    H    HIS   6           HN       HIS   6  21.937  14.394  21.890
   32    HA   HIS   6           HA       HIS   6  20.164  16.571  21.017
   33    HB2  HIS   6           HB2      HIS   6  22.423  17.219  21.470
   34    HB3  HIS   6           HB1      HIS   6  23.076  15.954  20.459
   35    HD2  HIS   6           HD2      HIS   6  22.734  16.160  17.748
   36    HE1  HIS   6           HE1      HIS   6  21.950  20.321  17.758
   37    HE2  HIS   6           HE2      HIS   6  22.496  18.312  16.302
   38    H    ASP   7           HN       ASP   7  18.802  16.359  19.538
   39    HA   ASP   7           HA       ASP   7  19.261  14.686  17.123
   40    HB2  ASP   7           HB2      ASP   7  16.814  15.352  16.707
   41    HB3  ASP   7           HB1      ASP   7  17.142  14.173  17.961
   42    H    SER   8           HN       SER   8  17.881  17.907  17.965
   43    HA   SER   8           HA       SER   8  19.864  19.295  16.340
   44    HB2  SER   8           HB2      SER   8  18.240  20.539  15.015
   45    HB3  SER   8           HB1      SER   8  18.228  18.810  14.655
   46    HG   SER   8           HG       SER   8  16.136  19.784  14.820
   47    H    GLY   9           HN       GLY   9  17.419  21.505  16.817
   48    HA2  GLY   9           HA2      GLY   9  16.622  22.057  19.130
   49    HA3  GLY   9           HA1      GLY   9  18.302  22.056  19.630
   50    H    PHE  10           HN       PHE  10  17.616  23.450  16.467
   51    HA   PHE  10           HA       PHE  10  18.931  25.842  17.347
   52    HB2  PHE  10           HB2      PHE  10  18.758  26.427  14.911
   53    HB3  PHE  10           HB1      PHE  10  19.563  24.918  15.288
   54    HD1  PHE  10           HD1      PHE  10  16.380  26.373  13.969
   55    HD2  PHE  10           HD2      PHE  10  18.745  22.803  14.490
   56    HE1  PHE  10           HE1      PHE  10  14.833  25.126  12.486
   57    HE2  PHE  10           HE2      PHE  10  17.193  21.563  13.006
   58    HZ   PHE  10           HZ       PHE  10  15.234  22.709  12.021
   59    H    GLU  11           HN       GLU  11  15.524  25.149  16.829
   60    HA   GLU  11           HA       GLU  11  14.737  27.783  17.778
   61    HB2  GLU  11           HB2      GLU  11  15.052  28.330  15.406
   62    HB3  GLU  11           HB1      GLU  11  14.079  26.933  14.922
   63    HG2  GLU  11           HG2      GLU  11  12.084  27.933  16.016
   64    HG3  GLU  11           HG1      GLU  11  13.064  29.295  16.568
   65    H    VAL  12           HN       VAL  12  13.499  25.002  15.881
   66    HA   VAL  12           HA       VAL  12  11.617  23.973  17.785
   67    HB   VAL  12           HB       VAL  12  11.749  23.046  15.582
   68   HG11  VAL  12          HG11      VAL  12  13.659  21.857  14.631
   69   HG12  VAL  12          HG12      VAL  12  14.110  23.523  14.984
   70   HG13  VAL  12          HG13      VAL  12  14.649  22.215  16.055
   71   HG21  VAL  12          HG21      VAL  12  11.994  20.658  16.011
   72   HG22  VAL  12          HG22      VAL  12  12.907  20.983  17.485
   73   HG23  VAL  12          HG23      VAL  12  11.198  21.453  17.387
   74    H    ARG  13           HN       ARG  13  12.023  23.154  19.806
   75    HA   ARG  13           HA       ARG  13  14.808  22.972  20.805
   76    HB2  ARG  13           HB2      ARG  13  12.063  22.843  22.096
   77    HB3  ARG  13           HB1      ARG  13  13.479  22.210  22.919
   78    HG2  ARG  13           HG2      ARG  13  13.151  24.378  23.739
   79    HG3  ARG  13           HG1      ARG  13  14.605  24.425  22.744
   80    HD2  ARG  13           HD2      ARG  13  13.456  25.573  20.970
   81    HD3  ARG  13           HD1      ARG  13  11.875  25.315  21.745
   82    HE   ARG  13           HE       ARG  13  13.217  26.614  23.690
   83   HH11  ARG  13          HH11      ARG  13  12.753  27.499  20.271
   84   HH12  ARG  13          HH12      ARG  13  12.785  29.212  20.622
   85   HH21  ARG  13          HH21      ARG  13  13.268  28.801  24.083
   86   HH22  ARG  13          HH22      ARG  13  13.106  29.953  22.775
   87    H    HIS  14           HN       HIS  14  15.573  21.062  21.792
   88    HA   HIS  14           HA       HIS  14  15.763  18.743  20.469
   89    HB2  HIS  14           HB2      HIS  14  15.818  19.329  23.434
   90    HB3  HIS  14           HB1      HIS  14  16.003  17.684  22.841
   91    HD1  HIS  14           HD1      HIS  14  18.413  17.137  23.197
   92    HD2  HIS  14           HD2      HIS  14  17.787  20.878  21.409
   93    HE1  HIS  14           HE1      HIS  14  20.710  18.083  22.704
   94    H    GLN  15           HN       GLN  15  14.645  17.030  19.957
   95    HA   GLN  15           HA       GLN  15  11.774  17.011  20.605
   96    HB2  GLN  15           HB2      GLN  15  13.469  15.749  18.407
   97    HB3  GLN  15           HB1      GLN  15  11.711  15.623  18.503
   98    HG2  GLN  15           HG2      GLN  15  11.407  17.987  18.158
   99    HG3  GLN  15           HG1      GLN  15  13.127  18.314  18.359
  100   HE21  GLN  15          HE21      GLN  15  14.659  17.306  16.756
  101   HE22  GLN  15          HE22      GLN  15  14.105  17.204  15.095
  102    H    LYS  16           HN       LYS  16  14.646  15.009  21.101
  103    HA   LYS  16           HA       LYS  16  13.179  12.527  21.418
  104    HB2  LYS  16           HB2      LYS  16  16.086  13.281  21.896
  105    HB3  LYS  16           HB1      LYS  16  15.419  11.647  22.095
  106    HG2  LYS  16           HG2      LYS  16  14.636  11.687  19.737
  107    HG3  LYS  16           HG1      LYS  16  15.407  13.255  19.505
  108    HD2  LYS  16           HD2      LYS  16  16.801  10.620  20.144
  109    HD3  LYS  16           HD1      LYS  16  16.772  11.470  18.596
  110    HE2  LYS  16           HE2      LYS  16  17.892  13.440  19.841
  111    HE3  LYS  16           HE1      LYS  16  18.195  12.278  21.147
  112    HZ1  LYS  16           HZ1      LYS  16  20.038  12.423  19.627
  113    HZ2  LYS  16           HZ2      LYS  16  19.349  10.890  19.564
  114    HZ3  LYS  16           HZ3      LYS  16  19.053  11.995  18.332
  115    HN1  NH2  17           H2       NH2  17  12.111  13.036  24.723
  116    HN2  NH2  17           H1       NH2  17  11.666  12.842  23.040
  117    H1   ACE   0           H1       ACE   0  30.538  12.227  14.864
  118    H2   ACE   0           H2       ACE   0  31.725  11.306  15.810
  119    H3   ACE   0           H3       ACE   0  29.982  11.003  16.021
  120    H    ASP   1           HN       ASP   1  29.322  13.885  15.884
  121    HA   ASP   1           HA       ASP   1  29.474  14.589  18.608
  122    HB2  ASP   1           HB2      ASP   1  31.911  15.120  17.649
  123    HB3  ASP   1           HB1      ASP   1  31.087  16.499  16.936
  124    H    ALA   2           HN       ALA   2  28.519  16.646  19.043
  125    HA   ALA   2           HA       ALA   2  27.495  18.344  16.904
  126    HB1  ALA   2           HB1      ALA   2  25.218  18.435  17.934
  127    HB2  ALA   2           HB2      ALA   2  25.597  16.860  17.212
  128    HB3  ALA   2           HB3      ALA   2  25.654  17.067  18.970
  129    H    GLU   3           HN       GLU   3  28.954  17.864  19.921
  130    HA   GLU   3           HA       GLU   3  28.150  19.904  21.611
  131    HB2  GLU   3           HB2      GLU   3  29.636  17.910  22.024
  132    HB3  GLU   3           HB1      GLU   3  30.954  18.827  21.269
  133    HG2  GLU   3           HG2      GLU   3  30.640  20.595  23.028
  134    HG3  GLU   3           HG1      GLU   3  29.368  19.600  23.757
  135    H    PHE   4           HN       PHE   4  30.237  20.182  18.752
  136    HA   PHE   4           HA       PHE   4  31.535  22.629  19.250
  137    HB2  PHE   4           HB2      PHE   4  31.561  22.772  16.724
  138    HB3  PHE   4           HB1      PHE   4  32.214  21.309  17.425
  139    HD1  PHE   4           HD1      PHE   4  29.125  22.682  15.763
  140    HD2  PHE   4           HD2      PHE   4  31.420  19.170  16.774
  141    HE1  PHE   4           HE1      PHE   4  27.628  21.295  14.361
  142    HE2  PHE   4           HE2      PHE   4  29.962  17.808  15.306
  143    HZ   PHE   4           HZ       PHE   4  28.049  18.856  14.123
  144    H    GLY   5           HN       GLY   5  28.174  22.014  18.455
  145    HA2  GLY   5           HA2      GLY   5  27.582  24.939  18.520
  146    HA3  GLY   5           HA1      GLY   5  26.765  23.803  17.426
  147    H    HIS   6           HN       HIS   6  27.238  21.977  20.162
  148    HA   HIS   6           HA       HIS   6  24.508  22.611  21.158
  149    HB2  HIS   6           HB2      HIS   6  24.660  20.366  20.319
  150    HB3  HIS   6           HB1      HIS   6  26.127  20.056  21.224
  151    HD2  HIS   6           HD2      HIS   6  25.973  19.638  23.854
  152    HE1  HIS   6           HE1      HIS   6  21.750  19.448  24.144
  153    HE2  HIS   6           HE2      HIS   6  23.933  19.069  25.384
  154    H    ASP   7           HN       ASP   7  24.390  23.714  22.854
  155    HA   ASP   7           HA       ASP   7  26.238  23.387  25.166
  156    HB2  ASP   7           HB2      ASP   7  25.515  25.629  25.802
  157    HB3  ASP   7           HB1      ASP   7  26.155  25.672  24.167
  158    H    SER   8           HN       SER   8  22.952  23.344  23.927
  159    HA   SER   8           HA       SER   8  21.738  21.742  25.892
  160    HB2  SER   8           HB2      SER   8  20.272  23.357  26.990
  161    HB3  SER   8           HB1      SER   8  21.956  23.669  27.399
  162    HG   SER   8           HG       SER   8  20.970  25.595  26.925
  163    H    GLY   9           HN       GLY   9  19.260  23.742  25.256
  164    HA2  GLY   9           HA2      GLY   9  18.281  24.246  23.045
  165    HA3  GLY   9           HA1      GLY   9  18.761  22.629  22.523
  166    H    PHE  10           HN       PHE  10  17.672  22.725  25.807
  167    HA   PHE  10           HA       PHE  10  15.400  21.069  25.020
  168    HB2  PHE  10           HB2      PHE  10  15.447  20.632  27.584
  169    HB3  PHE  10           HB1      PHE  10  16.679  19.980  26.536
  170    HD1  PHE  10           HD1      PHE  10  16.206  23.243  28.412
  171    HD2  PHE  10           HD2      PHE  10  18.802  19.930  27.489
  172    HE1  PHE  10           HE1      PHE  10  17.989  24.255  29.795
  173    HE2  PHE  10           HE2      PHE  10  20.564  20.920  28.903
  174    HZ   PHE  10           HZ       PHE  10  20.166  23.097  30.053
  175    H    GLU  11           HN       GLU  11  15.666  24.366  25.943
  176    HA   GLU  11           HA       GLU  11  12.800  24.653  26.459
  177    HB2  GLU  11           HB2      GLU  11  13.583  23.839  28.647
  178    HB3  GLU  11           HB1      GLU  11  14.877  25.044  28.663
  179    HG2  GLU  11           HG2      GLU  11  13.204  26.861  28.763
  180    HG3  GLU  11           HG1      GLU  11  11.899  25.666  28.698
  181    H    VAL  12           HN       VAL  12  15.965  26.219  27.115
  182    HA   VAL  12           HA       VAL  12  15.421  28.439  25.259
  183    HB   VAL  12           HB       VAL  12  16.993  28.542  27.281
  184   HG11  VAL  12          HG11      VAL  12  19.242  27.676  27.115
  185   HG12  VAL  12          HG12      VAL  12  18.114  26.323  26.957
  186   HG13  VAL  12          HG13      VAL  12  18.928  26.977  25.521
  187   HG21  VAL  12          HG21      VAL  12  18.672  29.907  26.109
  188   HG22  VAL  12          HG22      VAL  12  18.097  29.283  24.550
  189   HG23  VAL  12          HG23      VAL  12  17.017  30.244  25.578
  190    H    ARG  13           HN       ARG  13  16.175  28.342  23.041
  191    HA   ARG  13           HA       ARG  13  16.913  25.676  22.013
  192    HB2  ARG  13           HB2      ARG  13  16.935  26.730  19.800
  193    HB3  ARG  13           HB1      ARG  13  15.410  26.817  20.638
  194    HG2  ARG  13           HG2      ARG  13  15.767  28.829  19.440
  195    HG3  ARG  13           HG1      ARG  13  15.844  29.192  21.156
  196    HD2  ARG  13           HD2      ARG  13  18.295  29.342  21.041
  197    HD3  ARG  13           HD1      ARG  13  18.274  28.788  19.350
  198    HE   ARG  13           HE       ARG  13  16.621  31.059  19.539
  199   HH11  ARG  13          HH11      ARG  13  20.093  30.273  19.661
  200   HH12  ARG  13          HH12      ARG  13  20.574  31.897  19.255
  201   HH21  ARG  13          HH21      ARG  13  17.303  33.161  19.124
  202   HH22  ARG  13          HH22      ARG  13  19.003  33.531  18.971
  203    H    HIS  14           HN       HIS  14  18.858  25.865  20.324
  204    HA   HIS  14           HA       HIS  14  21.223  25.810  21.774
  205    HB2  HIS  14           HB2      HIS  14  20.500  26.008  18.854
  206    HB3  HIS  14           HB1      HIS  14  22.180  26.224  19.312
  207    HD1  HIS  14           HD1      HIS  14  23.237  24.023  18.566
  208    HD2  HIS  14           HD2      HIS  14  19.817  23.591  20.951
  209    HE1  HIS  14           HE1      HIS  14  23.106  21.573  19.224
  210    H    GLN  15           HN       GLN  15  22.663  27.217  22.462
  211    HA   GLN  15           HA       GLN  15  22.417  30.094  21.760
  212    HB2  GLN  15           HB2      GLN  15  23.762  28.823  24.174
  213    HB3  GLN  15           HB1      GLN  15  23.385  30.509  23.918
  214    HG2  GLN  15           HG2      GLN  15  20.915  29.909  23.923
  215    HG3  GLN  15           HG1      GLN  15  21.358  28.258  24.327
  216   HE21  GLN  15          HE21      GLN  15  22.182  27.763  26.425
  217   HE22  GLN  15          HE22      GLN  15  21.995  28.890  27.754
  218    H    LYS  16           HN       LYS  16  24.697  27.358  22.114
  219    HA   LYS  16           HA       LYS  16  26.941  28.814  20.903
  220    HB2  LYS  16           HB2      LYS  16  27.161  27.042  22.673
  221    HB3  LYS  16           HB1      LYS  16  26.576  25.841  21.511
  222    HG2  LYS  16           HG2      LYS  16  28.551  26.331  20.059
  223    HG3  LYS  16           HG1      LYS  16  29.053  27.589  21.191
  224    HD2  LYS  16           HD2      LYS  16  29.130  25.696  22.981
  225    HD3  LYS  16           HD1      LYS  16  28.952  24.580  21.618
  226    HE2  LYS  16           HE2      LYS  16  31.306  24.764  22.039
  227    HE3  LYS  16           HE1      LYS  16  30.985  25.706  20.570
  228    HZ1  LYS  16           HZ1      LYS  16  32.418  26.872  22.086
  229    HZ2  LYS  16           HZ2      LYS  16  30.960  27.692  21.914
  230    HZ3  LYS  16           HZ3      LYS  16  31.260  26.794  23.303
  231    HN1  NH2  17           H2       NH2  17  24.570  26.834  18.199
  232    HN2  NH2  17           H1       NH2  17  24.107  27.034  19.876
  Start of MODEL    2
    1    H1   ACE   0           H1       ACE   0  32.832  17.180  22.971
    2    H2   ACE   0           H2       ACE   0  32.109  18.011  24.359
    3    H3   ACE   0           H3       ACE   0  33.366  16.772  24.615
    4    H    ASP   1           HN       ASP   1  31.143  16.125  22.127
    5    HA   ASP   1           HA       ASP   1  29.761  14.452  21.662
    6    HB2  ASP   1           HB2      ASP   1  31.186  13.053  23.190
    7    HB3  ASP   1           HB1      ASP   1  30.065  13.423  24.501
    8    H    ALA   2           HN       ALA   2  27.490  14.123  21.723
    9    HA   ALA   2           HA       ALA   2  25.842  15.271  23.810
   10    HB1  ALA   2           HB1      ALA   2  24.862  17.064  22.356
   11    HB2  ALA   2           HB2      ALA   2  26.550  17.374  22.800
   12    HB3  ALA   2           HB3      ALA   2  26.164  16.762  21.185
   13    H    GLU   3           HN       GLU   3  26.173  13.576  20.747
   14    HA   GLU   3           HA       GLU   3  23.526  13.746  19.842
   15    HB2  GLU   3           HB2      GLU   3  25.471  11.510  19.204
   16    HB3  GLU   3           HB1      GLU   3  24.044  12.002  18.294
   17    HG2  GLU   3           HG2      GLU   3  25.621  13.067  17.049
   18    HG3  GLU   3           HG1      GLU   3  25.275  14.365  18.191
   19    H    PHE   4           HN       PHE   4  24.826  11.646  22.306
   20    HA   PHE   4           HA       PHE   4  22.920   9.592  22.474
   21    HB2  PHE   4           HB2      PHE   4  23.462   9.704  24.925
   22    HB3  PHE   4           HB1      PHE   4  24.859   9.596  23.870
   23    HD1  PHE   4           HD1      PHE   4  22.873  11.952  25.994
   24    HD2  PHE   4           HD2      PHE   4  26.576  11.252  23.901
   25    HE1  PHE   4           HE1      PHE   4  23.866  13.943  27.084
   26    HE2  PHE   4           HE2      PHE   4  27.580  13.215  25.040
   27    HZ   PHE   4           HZ       PHE   4  26.224  14.577  26.602
   28    H    GLY   5           HN       GLY   5  22.538  13.036  23.120
   29    HA2  GLY   5           HA2      GLY   5  19.677  12.586  23.761
   30    HA3  GLY   5           HA1      GLY   5  20.669  13.701  24.711
   31    H    HIS   6           HN       HIS   6  21.595  13.727  21.382
   32    HA   HIS   6           HA       HIS   6  20.002  16.201  20.876
   33    HB2  HIS   6           HB2      HIS   6  22.242  16.909  21.440
   34    HB3  HIS   6           HB1      HIS   6  22.958  15.658  20.448
   35    HD2  HIS   6           HD2      HIS   6  22.904  15.887  17.779
   36    HE1  HIS   6           HE1      HIS   6  21.705  19.938  17.616
   37    HE2  HIS   6           HE2      HIS   6  22.546  17.972  16.258
   38    H    ASP   7           HN       ASP   7  18.951  16.307  19.063
   39    HA   ASP   7           HA       ASP   7  20.009  14.932  16.650
   40    HB2  ASP   7           HB2      ASP   7  17.861  14.464  15.875
   41    HB3  ASP   7           HB1      ASP   7  17.771  14.012  17.568
   42    H    SER   8           HN       SER   8  18.676  17.801  18.174
   43    HA   SER   8           HA       SER   8  19.421  19.633  16.055
   44    HB2  SER   8           HB2      SER   8  17.188  20.264  15.390
   45    HB3  SER   8           HB1      SER   8  17.361  18.526  15.137
   46    HG   SER   8           HG       SER   8  15.447  18.784  16.146
   47    H    GLY   9           HN       GLY   9  17.152  21.433  17.058
   48    HA2  GLY   9           HA2      GLY   9  16.428  22.071  19.275
   49    HA3  GLY   9           HA1      GLY   9  18.080  21.864  19.865
   50    H    PHE  10           HN       PHE  10  17.602  23.466  16.747
   51    HA   PHE  10           HA       PHE  10  19.023  25.755  17.842
   52    HB2  PHE  10           HB2      PHE  10  19.341  26.323  15.465
   53    HB3  PHE  10           HB1      PHE  10  19.876  24.711  15.879
   54    HD1  PHE  10           HD1      PHE  10  17.214  26.654  14.191
   55    HD2  PHE  10           HD2      PHE  10  18.852  22.730  14.837
   56    HE1  PHE  10           HE1      PHE  10  15.754  25.752  12.396
   57    HE2  PHE  10           HE2      PHE  10  17.433  21.838  13.026
   58    HZ   PHE  10           HZ       PHE  10  15.889  23.340  11.792
   59    H    GLU  11           HN       GLU  11  15.715  25.208  17.167
   60    HA   GLU  11           HA       GLU  11  14.822  27.806  17.891
   61    HB2  GLU  11           HB2      GLU  11  15.263  28.808  15.914
   62    HB3  GLU  11           HB1      GLU  11  15.323  27.321  15.011
   63    HG2  GLU  11           HG2      GLU  11  12.555  27.982  15.786
   64    HG3  GLU  11           HG1      GLU  11  13.345  29.254  14.872
   65    H    VAL  12           HN       VAL  12  13.859  25.130  15.685
   66    HA   VAL  12           HA       VAL  12  11.938  23.772  17.240
   67    HB   VAL  12           HB       VAL  12  12.862  23.065  15.070
   68   HG11  VAL  12          HG11      VAL  12  15.070  22.104  14.776
   69   HG12  VAL  12          HG12      VAL  12  15.240  23.764  15.354
   70   HG13  VAL  12          HG13      VAL  12  15.491  22.403  16.465
   71   HG21  VAL  12          HG21      VAL  12  13.218  20.684  15.479
   72   HG22  VAL  12          HG22      VAL  12  13.495  20.996  17.197
   73   HG23  VAL  12          HG23      VAL  12  11.898  21.316  16.471
   74    H    ARG  13           HN       ARG  13  12.094  22.793  19.339
   75    HA   ARG  13           HA       ARG  13  14.676  23.159  20.797
   76    HB2  ARG  13           HB2      ARG  13  11.965  22.305  21.862
   77    HB3  ARG  13           HB1      ARG  13  13.435  22.559  22.796
   78    HG2  ARG  13           HG2      ARG  13  11.689  24.631  21.477
   79    HG3  ARG  13           HG1      ARG  13  12.168  24.480  23.161
   80    HD2  ARG  13           HD2      ARG  13  14.593  24.938  22.270
   81    HD3  ARG  13           HD1      ARG  13  13.781  25.518  20.812
   82    HE   ARG  13           HE       ARG  13  13.511  26.610  23.583
   83   HH11  ARG  13          HH11      ARG  13  13.092  27.255  20.087
   84   HH12  ARG  13          HH12      ARG  13  12.809  28.954  20.363
   85   HH21  ARG  13          HH21      ARG  13  13.165  28.793  23.839
   86   HH22  ARG  13          HH22      ARG  13  12.851  29.821  22.457
   87    H    HIS  14           HN       HIS  14  15.198  21.254  22.305
   88    HA   HIS  14           HA       HIS  14  15.971  19.016  20.811
   89    HB2  HIS  14           HB2      HIS  14  15.888  19.783  23.699
   90    HB3  HIS  14           HB1      HIS  14  15.860  18.052  23.381
   91    HD1  HIS  14           HD1      HIS  14  18.206  17.121  23.552
   92    HD2  HIS  14           HD2      HIS  14  17.947  20.806  21.573
   93    HE1  HIS  14           HE1      HIS  14  20.518  17.602  22.623
   94    H    GLN  15           HN       GLN  15  15.022  17.253  20.112
   95    HA   GLN  15           HA       GLN  15  12.153  16.880  20.662
   96    HB2  GLN  15           HB2      GLN  15  13.914  15.636  18.527
   97    HB3  GLN  15           HB1      GLN  15  12.156  15.613  18.578
   98    HG2  GLN  15           HG2      GLN  15  13.850  18.130  18.196
   99    HG3  GLN  15           HG1      GLN  15  13.112  17.188  16.922
  100   HE21  GLN  15          HE21      GLN  15  11.484  18.396  16.086
  101   HE22  GLN  15          HE22      GLN  15  10.223  19.164  17.025
  102    H    LYS  16           HN       LYS  16  11.495  14.465  20.276
  103    HA   LYS  16           HA       LYS  16  13.033  12.707  22.131
  104    HB2  LYS  16           HB2      LYS  16  10.042  13.299  22.144
  105    HB3  LYS  16           HB1      LYS  16  10.835  12.007  23.071
  106    HG2  LYS  16           HG2      LYS  16  12.220  13.705  24.237
  107    HG3  LYS  16           HG1      LYS  16  11.376  14.992  23.367
  108    HD2  LYS  16           HD2      LYS  16   9.227  14.269  24.404
  109    HD3  LYS  16           HD1      LYS  16  10.082  12.964  25.244
  110    HE2  LYS  16           HE2      LYS  16   9.825  14.774  26.808
  111    HE3  LYS  16           HE1      LYS  16  11.534  14.694  26.344
  112    HZ1  LYS  16           HZ1      LYS  16  10.720  16.938  26.372
  113    HZ2  LYS  16           HZ2      LYS  16  11.149  16.492  24.808
  114    HZ3  LYS  16           HZ3      LYS  16   9.527  16.562  25.248
  115    HN1  NH2  17           H2       NH2  17  10.634  10.487  19.746
  116    HN2  NH2  17           H1       NH2  17   9.999  11.458  21.061
  117    H1   ACE   0           H1       ACE   0  30.532  12.384  15.398
  118    H2   ACE   0           H2       ACE   0  32.178  12.019  15.960
  119    H3   ACE   0           H3       ACE   0  30.788  11.218  16.713
  120    H    ASP   1           HN       ASP   1  29.665  14.234  16.217
  121    HA   ASP   1           HA       ASP   1  29.695  14.936  18.943
  122    HB2  ASP   1           HB2      ASP   1  32.065  15.726  18.215
  123    HB3  ASP   1           HB1      ASP   1  31.197  16.931  17.271
  124    H    ALA   2           HN       ALA   2  28.438  16.879  19.360
  125    HA   ALA   2           HA       ALA   2  27.451  18.433  17.078
  126    HB1  ALA   2           HB1      ALA   2  25.150  18.521  18.004
  127    HB2  ALA   2           HB2      ALA   2  25.600  16.898  17.442
  128    HB3  ALA   2           HB3      ALA   2  25.577  17.268  19.175
  129    H    GLU   3           HN       GLU   3  28.796  18.224  20.190
  130    HA   GLU   3           HA       GLU   3  27.775  20.366  21.622
  131    HB2  GLU   3           HB2      GLU   3  29.473  18.376  22.113
  132    HB3  GLU   3           HB1      GLU   3  30.667  19.650  21.915
  133    HG2  GLU   3           HG2      GLU   3  28.278  19.636  23.833
  134    HG3  GLU   3           HG1      GLU   3  29.914  19.165  24.261
  135    H    PHE   4           HN       PHE   4  30.070  20.469  18.935
  136    HA   PHE   4           HA       PHE   4  31.230  22.996  19.203
  137    HB2  PHE   4           HB2      PHE   4  31.190  22.971  16.658
  138    HB3  PHE   4           HB1      PHE   4  31.984  21.644  17.469
  139    HD1  PHE   4           HD1      PHE   4  28.727  22.543  15.766
  140    HD2  PHE   4           HD2      PHE   4  31.488  19.426  16.885
  141    HE1  PHE   4           HE1      PHE   4  27.458  20.903  14.395
  142    HE2  PHE   4           HE2      PHE   4  30.230  17.824  15.476
  143    HZ   PHE   4           HZ       PHE   4  28.187  18.542  14.284
  144    H    GLY   5           HN       GLY   5  27.883  22.241  18.450
  145    HA2  GLY   5           HA2      GLY   5  27.238  25.128  18.624
  146    HA3  GLY   5           HA1      GLY   5  26.563  24.167  17.303
  147    H    HIS   6           HN       HIS   6  26.979  22.377  20.257
  148    HA   HIS   6           HA       HIS   6  24.138  22.797  21.085
  149    HB2  HIS   6           HB2      HIS   6  24.288  20.555  20.238
  150    HB3  HIS   6           HB1      HIS   6  25.831  20.280  20.994
  151    HD2  HIS   6           HD2      HIS   6  25.911  19.890  23.716
  152    HE1  HIS   6           HE1      HIS   6  21.839  18.767  24.014
  153    HE2  HIS   6           HE2      HIS   6  24.078  18.802  25.214
  154    H    ASP   7           HN       ASP   7  24.155  24.009  22.865
  155    HA   ASP   7           HA       ASP   7  26.134  23.485  25.017
  156    HB2  ASP   7           HB2      ASP   7  25.507  25.533  25.985
  157    HB3  ASP   7           HB1      ASP   7  25.759  25.867  24.292
  158    H    SER   8           HN       SER   8  22.657  23.740  24.302
  159    HA   SER   8           HA       SER   8  22.128  21.192  25.447
  160    HB2  SER   8           HB2      SER   8  22.021  22.437  27.551
  161    HB3  SER   8           HB1      SER   8  20.845  23.569  26.852
  162    HG   SER   8           HG       SER   8  19.924  21.776  28.043
  163    H    GLY   9           HN       GLY   9  19.688  23.781  25.249
  164    HA2  GLY   9           HA2      GLY   9  18.503  24.370  23.245
  165    HA3  GLY   9           HA1      GLY   9  18.767  22.737  22.596
  166    H    PHE  10           HN       PHE  10  17.902  23.191  25.967
  167    HA   PHE  10           HA       PHE  10  15.403  21.779  25.734
  168    HB2  PHE  10           HB2      PHE  10  15.316  22.376  28.232
  169    HB3  PHE  10           HB1      PHE  10  16.480  21.250  27.611
  170    HD1  PHE  10           HD1      PHE  10  17.065  24.958  27.345
  171    HD2  PHE  10           HD2      PHE  10  17.922  21.305  29.478
  172    HE1  PHE  10           HE1      PHE  10  18.944  26.065  28.512
  173    HE2  PHE  10           HE2      PHE  10  19.836  22.418  30.591
  174    HZ   PHE  10           HZ       PHE  10  20.317  24.812  30.138
  175    H    GLU  11           HN       GLU  11  14.637  24.270  27.928
  176    HA   GLU  11           HA       GLU  11  12.531  25.047  26.153
  177    HB2  GLU  11           HB2      GLU  11  11.591  26.267  27.868
  178    HB3  GLU  11           HB1      GLU  11  12.282  24.851  28.627
  179    HG2  GLU  11           HG2      GLU  11  13.431  27.686  28.662
  180    HG3  GLU  11           HG1      GLU  11  12.557  26.897  29.963
  181    H    VAL  12           HN       VAL  12  15.618  26.587  26.924
  182    HA   VAL  12           HA       VAL  12  15.071  28.550  24.757
  183    HB   VAL  12           HB       VAL  12  16.150  29.449  26.800
  184   HG11  VAL  12          HG11      VAL  12  18.478  28.952  27.339
  185   HG12  VAL  12          HG12      VAL  12  17.507  27.480  27.469
  186   HG13  VAL  12          HG13      VAL  12  18.552  27.738  26.056
  187   HG21  VAL  12          HG21      VAL  12  17.896  30.699  25.634
  188   HG22  VAL  12          HG22      VAL  12  17.931  29.502  24.328
  189   HG23  VAL  12          HG23      VAL  12  16.477  30.483  24.592
  190    H    ARG  13           HN       ARG  13  16.093  28.292  22.800
  191    HA   ARG  13           HA       ARG  13  17.033  25.656  22.075
  192    HB2  ARG  13           HB2      ARG  13  17.281  26.688  19.811
  193    HB3  ARG  13           HB1      ARG  13  15.686  26.780  20.508
  194    HG2  ARG  13           HG2      ARG  13  16.125  28.820  19.386
  195    HG3  ARG  13           HG1      ARG  13  16.115  29.151  21.109
  196    HD2  ARG  13           HD2      ARG  13  18.585  29.236  21.120
  197    HD3  ARG  13           HD1      ARG  13  18.615  28.774  19.401
  198    HE   ARG  13           HE       ARG  13  16.994  31.080  19.753
  199   HH11  ARG  13          HH11      ARG  13  20.447  30.191  19.837
  200   HH12  ARG  13          HH12      ARG  13  20.979  31.825  19.546
  201   HH21  ARG  13          HH21      ARG  13  17.714  33.150  19.400
  202   HH22  ARG  13          HH22      ARG  13  19.412  33.513  19.298
  203    H    HIS  14           HN       HIS  14  19.016  25.650  20.525
  204    HA   HIS  14           HA       HIS  14  21.401  25.685  21.881
  205    HB2  HIS  14           HB2      HIS  14  20.698  25.947  18.943
  206    HB3  HIS  14           HB1      HIS  14  22.354  25.913  19.462
  207    HD1  HIS  14           HD1      HIS  14  22.677  23.747  18.050
  208    HD2  HIS  14           HD2      HIS  14  20.373  23.462  21.511
  209    HE1  HIS  14           HE1      HIS  14  22.736  21.325  18.729
  210    H    GLN  15           HN       GLN  15  22.708  27.195  22.599
  211    HA   GLN  15           HA       GLN  15  22.683  29.961  21.527
  212    HB2  GLN  15           HB2      GLN  15  23.847  28.790  24.091
  213    HB3  GLN  15           HB1      GLN  15  23.790  30.498  23.641
  214    HG2  GLN  15           HG2      GLN  15  21.316  30.400  23.617
  215    HG3  GLN  15           HG1      GLN  15  21.351  28.703  24.091
  216   HE21  GLN  15          HE21      GLN  15  23.849  29.988  25.863
  217   HE22  GLN  15          HE22      GLN  15  22.947  30.412  27.304
  218    H    LYS  16           HN       LYS  16  24.328  30.537  20.236
  219    HA   LYS  16           HA       LYS  16  26.992  29.416  20.350
  220    HB2  LYS  16           HB2      LYS  16  26.864  28.371  18.082
  221    HB3  LYS  16           HB1      LYS  16  26.011  27.486  19.344
  222    HG2  LYS  16           HG2      LYS  16  23.842  28.376  18.564
  223    HG3  LYS  16           HG1      LYS  16  24.668  29.341  17.324
  224    HD2  LYS  16           HD2      LYS  16  25.524  27.305  16.267
  225    HD3  LYS  16           HD1      LYS  16  24.710  26.298  17.481
  226    HE2  LYS  16           HE2      LYS  16  23.275  28.322  15.724
  227    HE3  LYS  16           HE1      LYS  16  23.514  26.637  15.241
  228    HZ1  LYS  16           HZ1      LYS  16  21.369  26.982  16.221
  229    HZ2  LYS  16           HZ2      LYS  16  22.291  25.954  17.181
  230    HZ3  LYS  16           HZ3      LYS  16  22.066  27.555  17.640
  231    HN1  NH2  17           H2       NH2  17  27.961  32.146  18.407
  232    HN2  NH2  17           H1       NH2  17  28.423  30.766  19.385
  Start of MODEL    3
    1    H1   ACE   0           H1       ACE   0  33.049  16.038  20.863
    2    H2   ACE   0           H2       ACE   0  33.919  15.265  22.203
    3    H3   ACE   0           H3       ACE   0  34.211  14.732  20.529
    4    H    ASP   1           HN       ASP   1  31.156  15.513  22.155
    5    HA   ASP   1           HA       ASP   1  29.692  13.319  21.191
    6    HB2  ASP   1           HB2      ASP   1  29.323  12.024  23.241
    7    HB3  ASP   1           HB1      ASP   1  30.941  11.844  22.626
    8    H    ALA   2           HN       ALA   2  27.585  13.668  21.417
    9    HA   ALA   2           HA       ALA   2  26.335  15.102  23.557
   10    HB1  ALA   2           HB1      ALA   2  25.497  17.018  22.160
   11    HB2  ALA   2           HB2      ALA   2  27.234  17.100  22.489
   12    HB3  ALA   2           HB3      ALA   2  26.658  16.559  20.898
   13    H    GLU   3           HN       GLU   3  26.216  13.540  20.410
   14    HA   GLU   3           HA       GLU   3  23.354  13.643  20.082
   15    HB2  GLU   3           HB2      GLU   3  25.627  12.301  18.609
   16    HB3  GLU   3           HB1      GLU   3  23.933  12.131  18.107
   17    HG2  GLU   3           HG2      GLU   3  23.660  14.507  17.841
   18    HG3  GLU   3           HG1      GLU   3  25.262  14.851  18.495
   19    H    PHE   4           HN       PHE   4  24.927  11.907  22.334
   20    HA   PHE   4           HA       PHE   4  23.216   9.554  22.391
   21    HB2  PHE   4           HB2      PHE   4  23.897   9.541  24.791
   22    HB3  PHE   4           HB1      PHE   4  25.236   9.516  23.659
   23    HD1  PHE   4           HD1      PHE   4  23.355  11.672  26.063
   24    HD2  PHE   4           HD2      PHE   4  26.906  11.260  23.651
   25    HE1  PHE   4           HE1      PHE   4  24.404  13.556  27.282
   26    HE2  PHE   4           HE2      PHE   4  27.933  13.161  24.868
   27    HZ   PHE   4           HZ       PHE   4  26.709  14.291  26.695
   28    H    GLY   5           HN       GLY   5  22.763  12.964  22.886
   29    HA2  GLY   5           HA2      GLY   5  19.969  12.565  23.736
   30    HA3  GLY   5           HA1      GLY   5  21.036  13.493  24.797
   31    H    HIS   6           HN       HIS   6  21.623  13.752  21.326
   32    HA   HIS   6           HA       HIS   6  20.284  16.407  21.296
   33    HB2  HIS   6           HB2      HIS   6  22.621  16.841  21.478
   34    HB3  HIS   6           HB1      HIS   6  23.016  15.670  20.234
   35    HD2  HIS   6           HD2      HIS   6  22.381  16.283  17.633
   36    HE1  HIS   6           HE1      HIS   6  22.234  20.464  18.278
   37    HE2  HIS   6           HE2      HIS   6  22.377  18.633  16.524
   38    H    ASP   7           HN       ASP   7  18.761  16.566  20.017
   39    HA   ASP   7           HA       ASP   7  19.185  15.896  17.163
   40    HB2  ASP   7           HB2      ASP   7  16.826  16.227  16.783
   41    HB3  ASP   7           HB1      ASP   7  17.016  14.989  18.023
   42    H    SER   8           HN       SER   8  18.367  17.849  15.830
   43    HA   SER   8           HA       SER   8  20.188  19.773  15.955
   44    HB2  SER   8           HB2      SER   8  17.353  19.984  14.905
   45    HB3  SER   8           HB1      SER   8  18.596  21.199  14.593
   46    HG   SER   8           HG       SER   8  18.422  19.547  12.965
   47    H    GLY   9           HN       GLY   9  16.846  20.732  16.959
   48    HA2  GLY   9           HA2      GLY   9  16.156  21.866  18.803
   49    HA3  GLY   9           HA1      GLY   9  17.834  21.958  19.374
   50    H    PHE  10           HN       PHE  10  17.329  23.319  16.181
   51    HA   PHE  10           HA       PHE  10  18.503  25.705  17.150
   52    HB2  PHE  10           HB2      PHE  10  18.368  26.440  14.758
   53    HB3  PHE  10           HB1      PHE  10  19.246  24.976  15.121
   54    HD1  PHE  10           HD1      PHE  10  15.781  26.042  13.997
   55    HD2  PHE  10           HD2      PHE  10  18.969  23.158  13.718
   56    HE1  PHE  10           HE1      PHE  10  14.582  24.862  12.170
   57    HE2  PHE  10           HE2      PHE  10  17.733  21.949  11.957
   58    HZ   PHE  10           HZ       PHE  10  15.543  22.814  11.161
   59    H    GLU  11           HN       GLU  11  15.063  25.159  16.852
   60    HA   GLU  11           HA       GLU  11  14.619  27.797  17.908
   61    HB2  GLU  11           HB2      GLU  11  14.841  28.488  15.597
   62    HB3  GLU  11           HB1      GLU  11  13.665  27.292  15.072
   63    HG2  GLU  11           HG2      GLU  11  11.890  28.446  16.362
   64    HG3  GLU  11           HG1      GLU  11  13.080  29.621  16.948
   65    H    VAL  12           HN       VAL  12  12.892  25.133  16.134
   66    HA   VAL  12           HA       VAL  12  11.204  24.651  18.486
   67    HB   VAL  12           HB       VAL  12  10.515  23.780  16.280
   68   HG11  VAL  12          HG11      VAL  12  11.562  21.951  15.166
   69   HG12  VAL  12          HG12      VAL  12  12.849  23.142  15.429
   70   HG13  VAL  12          HG13      VAL  12  12.724  21.720  16.476
   71   HG21  VAL  12          HG21      VAL  12   9.872  21.550  17.050
   72   HG22  VAL  12          HG22      VAL  12  11.099  21.608  18.331
   73   HG23  VAL  12          HG23      VAL  12   9.726  22.735  18.360
   74    H    ARG  13           HN       ARG  13  11.938  23.681  20.291
   75    HA   ARG  13           HA       ARG  13  14.746  23.503  20.811
   76    HB2  ARG  13           HB2      ARG  13  12.175  22.921  22.300
   77    HB3  ARG  13           HB1      ARG  13  13.687  22.359  22.985
   78    HG2  ARG  13           HG2      ARG  13  13.076  24.493  23.916
   79    HG3  ARG  13           HG1      ARG  13  14.617  24.574  23.063
   80    HD2  ARG  13           HD2      ARG  13  13.543  25.720  21.176
   81    HD3  ARG  13           HD1      ARG  13  11.962  25.565  21.958
   82    HE   ARG  13           HE       ARG  13  13.598  26.783  23.839
   83   HH11  ARG  13          HH11      ARG  13  12.469  27.705  20.584
   84   HH12  ARG  13          HH12      ARG  13  12.533  29.411  20.950
   85   HH21  ARG  13          HH21      ARG  13  13.695  28.956  24.245
   86   HH22  ARG  13          HH22      ARG  13  13.264  30.124  23.019
   87    H    HIS  14           HN       HIS  14  15.402  21.354  22.190
   88    HA   HIS  14           HA       HIS  14  15.665  19.095  20.488
   89    HB2  HIS  14           HB2      HIS  14  15.801  19.509  23.488
   90    HB3  HIS  14           HB1      HIS  14  15.861  17.896  22.794
   91    HD1  HIS  14           HD1      HIS  14  18.266  17.282  23.363
   92    HD2  HIS  14           HD2      HIS  14  17.854  20.894  21.264
   93    HE1  HIS  14           HE1      HIS  14  20.603  18.004  22.706
   94    H    GLN  15           HN       GLN  15  14.389  17.405  20.098
   95    HA   GLN  15           HA       GLN  15  11.680  17.209  21.350
   96    HB2  GLN  15           HB2      GLN  15  12.625  16.735  18.485
   97    HB3  GLN  15           HB1      GLN  15  11.049  16.215  19.098
   98    HG2  GLN  15           HG2      GLN  15  10.349  18.472  19.533
   99    HG3  GLN  15           HG1      GLN  15  11.956  19.115  19.221
  100   HE21  GLN  15          HE21      GLN  15  12.890  18.575  16.968
  101   HE22  GLN  15          HE22      GLN  15  11.780  18.772  15.626
  102    H    LYS  16           HN       LYS  16  11.529  15.392  22.515
  103    HA   LYS  16           HA       LYS  16  12.788  12.910  21.604
  104    HB2  LYS  16           HB2      LYS  16  14.061  12.504  23.548
  105    HB3  LYS  16           HB1      LYS  16  14.581  14.041  22.894
  106    HG2  LYS  16           HG2      LYS  16  12.484  14.292  25.010
  107    HG3  LYS  16           HG1      LYS  16  13.926  13.444  25.528
  108    HD2  LYS  16           HD2      LYS  16  14.226  15.686  26.125
  109    HD3  LYS  16           HD1      LYS  16  15.323  15.404  24.772
  110    HE2  LYS  16           HE2      LYS  16  13.977  16.659  23.281
  111    HE3  LYS  16           HE1      LYS  16  12.550  16.542  24.329
  112    HZ1  LYS  16           HZ1      LYS  16  13.533  18.709  24.439
  113    HZ2  LYS  16           HZ2      LYS  16  13.636  17.935  25.928
  114    HZ3  LYS  16           HZ3      LYS  16  14.998  18.060  24.950
  115    HN1  NH2  17           H2       NH2  17   9.424  13.082  23.826
  116    HN2  NH2  17           H1       NH2  17  10.189  14.513  23.174
  117    H1   ACE   0           H1       ACE   0  29.091  12.648  13.721
  118    H2   ACE   0           H2       ACE   0  30.844  12.423  13.874
  119    H3   ACE   0           H3       ACE   0  29.723  11.245  14.604
  120    H    ASP   1           HN       ASP   1  28.925  14.648  14.770
  121    HA   ASP   1           HA       ASP   1  29.076  14.680  17.653
  122    HB2  ASP   1           HB2      ASP   1  31.485  15.068  16.946
  123    HB3  ASP   1           HB1      ASP   1  30.949  16.521  16.104
  124    H    ALA   2           HN       ALA   2  28.362  16.684  18.573
  125    HA   ALA   2           HA       ALA   2  27.232  18.770  16.855
  126    HB1  ALA   2           HB1      ALA   2  25.081  18.770  18.046
  127    HB2  ALA   2           HB2      ALA   2  25.332  17.227  17.210
  128    HB3  ALA   2           HB3      ALA   2  25.565  17.334  18.969
  129    H    GLU   3           HN       GLU   3  29.112  17.866  19.484
  130    HA   GLU   3           HA       GLU   3  28.323  19.572  21.562
  131    HB2  GLU   3           HB2      GLU   3  29.776  17.511  21.622
  132    HB3  GLU   3           HB1      GLU   3  31.115  18.519  21.052
  133    HG2  GLU   3           HG2      GLU   3  30.898  19.939  23.070
  134    HG3  GLU   3           HG1      GLU   3  29.455  19.046  23.562
  135    H    PHE   4           HN       PHE   4  30.138  20.361  18.669
  136    HA   PHE   4           HA       PHE   4  31.529  22.674  19.474
  137    HB2  PHE   4           HB2      PHE   4  31.348  23.245  17.016
  138    HB3  PHE   4           HB1      PHE   4  32.032  21.680  17.407
  139    HD1  PHE   4           HD1      PHE   4  28.853  23.331  16.235
  140    HD2  PHE   4           HD2      PHE   4  31.139  19.693  16.509
  141    HE1  PHE   4           HE1      PHE   4  27.266  22.209  14.701
  142    HE2  PHE   4           HE2      PHE   4  29.570  18.579  14.958
  143    HZ   PHE   4           HZ       PHE   4  27.616  19.825  14.060
  144    H    GLY   5           HN       GLY   5  28.113  22.263  19.292
  145    HA2  GLY   5           HA2      GLY   5  27.774  25.123  19.955
  146    HA3  GLY   5           HA1      GLY   5  26.763  24.421  18.682
  147    H    HIS   6           HN       HIS   6  27.277  21.862  20.761
  148    HA   HIS   6           HA       HIS   6  24.684  22.335  22.111
  149    HB2  HIS   6           HB2      HIS   6  24.879  20.253  20.815
  150    HB3  HIS   6           HB1      HIS   6  26.283  19.784  21.756
  151    HD2  HIS   6           HD2      HIS   6  25.935  19.106  24.335
  152    HE1  HIS   6           HE1      HIS   6  21.704  18.906  24.274
  153    HE2  HIS   6           HE2      HIS   6  23.787  18.370  25.619
  154    H    ASP   7           HN       ASP   7  24.773  23.244  23.966
  155    HA   ASP   7           HA       ASP   7  26.223  21.758  26.089
  156    HB2  ASP   7           HB2      ASP   7  26.069  23.647  27.541
  157    HB3  ASP   7           HB1      ASP   7  26.849  24.198  26.063
  158    H    SER   8           HN       SER   8  23.265  22.915  24.612
  159    HA   SER   8           HA       SER   8  21.534  21.099  25.998
  160    HB2  SER   8           HB2      SER   8  20.128  22.784  27.109
  161    HB3  SER   8           HB1      SER   8  21.744  22.680  27.809
  162    HG   SER   8           HG       SER   8  21.183  24.838  27.539
  163    H    GLY   9           HN       GLY   9  19.616  23.704  25.351
  164    HA2  GLY   9           HA2      GLY   9  18.796  24.518  23.239
  165    HA3  GLY   9           HA1      GLY   9  19.212  22.965  22.487
  166    H    PHE  10           HN       PHE  10  17.821  22.772  25.691
  167    HA   PHE  10           HA       PHE  10  15.444  21.504  24.504
  168    HB2  PHE  10           HB2      PHE  10  15.338  20.428  26.822
  169    HB3  PHE  10           HB1      PHE  10  16.585  19.956  25.692
  170    HD1  PHE  10           HD1      PHE  10  16.557  22.902  28.070
  171    HD2  PHE  10           HD2      PHE  10  18.317  19.116  27.005
  172    HE1  PHE  10           HE1      PHE  10  18.330  23.253  29.753
  173    HE2  PHE  10           HE2      PHE  10  20.043  19.449  28.751
  174    HZ   PHE  10           HZ       PHE  10  20.080  21.531  30.093
  175    H    GLU  11           HN       GLU  11  16.027  24.460  26.239
  176    HA   GLU  11           HA       GLU  11  13.153  24.879  26.140
  177    HB2  GLU  11           HB2      GLU  11  12.648  25.424  28.277
  178    HB3  GLU  11           HB1      GLU  11  13.614  23.977  28.485
  179    HG2  GLU  11           HG2      GLU  11  14.624  26.831  28.932
  180    HG3  GLU  11           HG1      GLU  11  13.979  25.777  30.174
  181    H    VAL  12           HN       VAL  12  16.356  26.249  26.883
  182    HA   VAL  12           HA       VAL  12  15.796  28.565  25.142
  183    HB   VAL  12           HB       VAL  12  17.554  28.591  26.968
  184   HG11  VAL  12          HG11      VAL  12  19.707  27.511  26.625
  185   HG12  VAL  12          HG12      VAL  12  18.450  26.267  26.679
  186   HG13  VAL  12          HG13      VAL  12  19.157  26.754  25.126
  187   HG21  VAL  12          HG21      VAL  12  19.207  29.783  25.659
  188   HG22  VAL  12          HG22      VAL  12  18.630  29.038  24.161
  189   HG23  VAL  12          HG23      VAL  12  17.583  30.156  25.046
  190    H    ARG  13           HN       ARG  13  16.505  28.468  22.865
  191    HA   ARG  13           HA       ARG  13  16.794  25.727  21.765
  192    HB2  ARG  13           HB2      ARG  13  16.568  26.831  19.569
  193    HB3  ARG  13           HB1      ARG  13  15.200  27.003  20.633
  194    HG2  ARG  13           HG2      ARG  13  15.414  29.051  19.544
  195    HG3  ARG  13           HG1      ARG  13  15.981  29.349  21.181
  196    HD2  ARG  13           HD2      ARG  13  18.303  29.314  20.433
  197    HD3  ARG  13           HD1      ARG  13  17.814  28.718  18.841
  198    HE   ARG  13           HE       ARG  13  16.626  31.273  19.624
  199   HH11  ARG  13          HH11      ARG  13  19.313  29.718  17.870
  200   HH12  ARG  13          HH12      ARG  13  19.648  31.152  16.930
  201   HH21  ARG  13          HH21      ARG  13  17.107  33.086  18.383
  202   HH22  ARG  13          HH22      ARG  13  18.426  33.053  17.238
  203    H    HIS  14           HN       HIS  14  18.505  25.620  19.867
  204    HA   HIS  14           HA       HIS  14  21.141  26.057  20.945
  205    HB2  HIS  14           HB2      HIS  14  19.980  24.988  18.409
  206    HB3  HIS  14           HB1      HIS  14  21.579  25.713  18.287
  207    HD1  HIS  14           HD1      HIS  14  23.525  24.203  18.898
  208    HD2  HIS  14           HD2      HIS  14  19.827  22.956  20.442
  209    HE1  HIS  14           HE1      HIS  14  23.918  21.935  19.963
  210    H    GLN  15           HN       GLN  15  22.001  27.954  21.226
  211    HA   GLN  15           HA       GLN  15  20.630  30.269  20.416
  212    HB2  GLN  15           HB2      GLN  15  23.344  30.040  21.780
  213    HB3  GLN  15           HB1      GLN  15  22.256  31.432  21.796
  214    HG2  GLN  15           HG2      GLN  15  20.531  29.831  22.910
  215    HG3  GLN  15           HG1      GLN  15  21.870  28.714  23.114
  216   HE21  GLN  15          HE21      GLN  15  22.209  28.731  25.316
  217   HE22  GLN  15          HE22      GLN  15  22.446  30.182  26.267
  218    H    LYS  16           HN       LYS  16  23.610  28.816  19.110
  219    HA   LYS  16           HA       LYS  16  23.576  30.707  16.892
  220    HB2  LYS  16           HB2      LYS  16  24.817  31.878  18.760
  221    HB3  LYS  16           HB1      LYS  16  26.032  30.598  18.702
  222    HG2  LYS  16           HG2      LYS  16  26.630  31.202  16.409
  223    HG3  LYS  16           HG1      LYS  16  25.245  32.302  16.296
  224    HD2  LYS  16           HD2      LYS  16  26.251  33.660  18.185
  225    HD3  LYS  16           HD1      LYS  16  27.702  32.636  18.073
  226    HE2  LYS  16           HE2      LYS  16  27.998  33.322  15.715
  227    HE3  LYS  16           HE1      LYS  16  26.506  34.278  15.797
  228    HZ1  LYS  16           HZ1      LYS  16  28.446  35.640  16.070
  229    HZ2  LYS  16           HZ2      LYS  16  27.518  35.648  17.472
  230    HZ3  LYS  16           HZ3      LYS  16  28.935  34.743  17.406
  231    HN1  NH2  17           H2       NH2  17  24.982  28.097  15.035
  232    HN2  NH2  17           H1       NH2  17  24.035  29.569  15.095
  Start of MODEL    4
    1    H1   ACE   0           H1       ACE   0  32.790  14.653  23.669
    2    H2   ACE   0           H2       ACE   0  33.505  13.078  24.062
    3    H3   ACE   0           H3       ACE   0  33.481  13.656  22.377
    4    H    ASP   1           HN       ASP   1  30.594  14.587  23.815
    5    HA   ASP   1           HA       ASP   1  29.039  12.784  22.258
    6    HB2  ASP   1           HB2      ASP   1  29.754  11.409  24.400
    7    HB3  ASP   1           HB1      ASP   1  28.592  12.416  25.238
    8    H    ALA   2           HN       ALA   2  26.836  13.343  22.187
    9    HA   ALA   2           HA       ALA   2  25.555  15.165  23.986
   10    HB1  ALA   2           HB1      ALA   2  25.090  16.969  22.301
   11    HB2  ALA   2           HB2      ALA   2  26.775  16.908  22.826
   12    HB3  ALA   2           HB3      ALA   2  26.320  16.236  21.245
   13    H    GLU   3           HN       GLU   3  25.541  13.259  20.991
   14    HA   GLU   3           HA       GLU   3  22.826  13.887  20.317
   15    HB2  GLU   3           HB2      GLU   3  24.769  11.886  19.145
   16    HB3  GLU   3           HB1      GLU   3  23.171  12.258  18.476
   17    HG2  GLU   3           HG2      GLU   3  23.855  14.674  18.309
   18    HG3  GLU   3           HG1      GLU   3  25.491  14.202  18.777
   19    H    PHE   4           HN       PHE   4  23.679  11.951  22.817
   20    HA   PHE   4           HA       PHE   4  21.619   9.938  22.708
   21    HB2  PHE   4           HB2      PHE   4  21.752  10.178  25.221
   22    HB3  PHE   4           HB1      PHE   4  23.261   9.784  24.417
   23    HD1  PHE   4           HD1      PHE   4  21.361  12.628  25.991
   24    HD2  PHE   4           HD2      PHE   4  25.167  11.177  24.606
   25    HE1  PHE   4           HE1      PHE   4  22.467  14.608  26.967
   26    HE2  PHE   4           HE2      PHE   4  26.290  13.141  25.631
   27    HZ   PHE   4           HZ       PHE   4  24.938  14.870  26.790
   28    H    GLY   5           HN       GLY   5  21.659  13.435  23.202
   29    HA2  GLY   5           HA2      GLY   5  18.689  13.488  23.477
   30    HA3  GLY   5           HA1      GLY   5  19.787  14.600  24.316
   31    H    HIS   6           HN       HIS   6  21.552  14.647  21.739
   32    HA   HIS   6           HA       HIS   6  20.118  16.939  20.604
   33    HB2  HIS   6           HB2      HIS   6  22.452  17.189  21.260
   34    HB3  HIS   6           HB1      HIS   6  22.945  15.952  20.120
   35    HD2  HIS   6           HD2      HIS   6  22.554  16.527  17.418
   36    HE1  HIS   6           HE1      HIS   6  22.650  20.730  17.987
   37    HE2  HIS   6           HE2      HIS   6  22.805  18.853  16.280
   38    H    ASP   7           HN       ASP   7  18.523  16.291  19.383
   39    HA   ASP   7           HA       ASP   7  18.962  14.780  16.898
   40    HB2  ASP   7           HB2      ASP   7  16.672  15.593  16.359
   41    HB3  ASP   7           HB1      ASP   7  16.739  14.657  17.836
   42    H    SER   8           HN       SER   8  17.980  18.121  17.738
   43    HA   SER   8           HA       SER   8  20.333  19.284  16.663
   44    HB2  SER   8           HB2      SER   8  19.236  18.986  14.506
   45    HB3  SER   8           HB1      SER   8  17.790  19.820  15.101
   46    HG   SER   8           HG       SER   8  19.196  21.214  13.992
   47    H    GLY   9           HN       GLY   9  17.105  20.719  16.670
   48    HA2  GLY   9           HA2      GLY   9  15.902  21.698  18.339
   49    HA3  GLY   9           HA1      GLY   9  17.276  21.600  19.460
   50    H    PHE  10           HN       PHE  10  17.044  23.140  16.181
   51    HA   PHE  10           HA       PHE  10  18.503  25.429  17.177
   52    HB2  PHE  10           HB2      PHE  10  18.317  26.157  14.742
   53    HB3  PHE  10           HB1      PHE  10  19.222  24.716  15.146
   54    HD1  PHE  10           HD1      PHE  10  15.598  25.487  14.253
   55    HD2  PHE  10           HD2      PHE  10  19.083  23.060  13.561
   56    HE1  PHE  10           HE1      PHE  10  14.320  24.097  12.670
   57    HE2  PHE  10           HE2      PHE  10  17.773  21.608  12.048
   58    HZ   PHE  10           HZ       PHE  10  15.385  22.123  11.586
   59    H    GLU  11           HN       GLU  11  15.066  24.907  16.857
   60    HA   GLU  11           HA       GLU  11  14.527  27.720  17.504
   61    HB2  GLU  11           HB2      GLU  11  14.669  27.724  15.038
   62    HB3  GLU  11           HB1      GLU  11  13.410  26.475  14.968
   63    HG2  GLU  11           HG2      GLU  11  11.850  28.050  16.151
   64    HG3  GLU  11           HG1      GLU  11  13.117  29.281  16.146
   65    H    VAL  12           HN       VAL  12  13.006  24.643  16.425
   66    HA   VAL  12           HA       VAL  12  11.322  24.455  18.818
   67    HB   VAL  12           HB       VAL  12  10.876  23.166  16.698
   68   HG11  VAL  12          HG11      VAL  12  12.165  21.211  16.098
   69   HG12  VAL  12          HG12      VAL  12  13.246  22.614  16.095
   70   HG13  VAL  12          HG13      VAL  12  13.289  21.459  17.440
   71   HG21  VAL  12          HG21      VAL  12  10.311  21.054  17.790
   72   HG22  VAL  12          HG22      VAL  12  11.364  21.450  19.160
   73   HG23  VAL  12          HG23      VAL  12   9.926  22.435  18.828
   74    H    ARG  13           HN       ARG  13  12.132  23.467  20.798
   75    HA   ARG  13           HA       ARG  13  15.032  23.390  21.115
   76    HB2  ARG  13           HB2      ARG  13  14.542  22.634  23.407
   77    HB3  ARG  13           HB1      ARG  13  13.780  24.141  22.952
   78    HG2  ARG  13           HG2      ARG  13  12.257  22.938  24.284
   79    HG3  ARG  13           HG1      ARG  13  11.598  22.986  22.654
   80    HD2  ARG  13           HD2      ARG  13  12.171  20.650  22.299
   81    HD3  ARG  13           HD1      ARG  13  13.108  20.612  23.814
   82    HE   ARG  13           HE       ARG  13  10.499  21.443  24.445
   83   HH11  ARG  13          HH11      ARG  13  12.042  18.444  23.291
   84   HH12  ARG  13          HH12      ARG  13  10.882  17.419  24.100
   85   HH21  ARG  13          HH21      ARG  13   9.041  20.065  25.480
   86   HH22  ARG  13          HH22      ARG  13   9.195  18.332  25.316
   87    H    HIS  14           HN       HIS  14  15.892  21.250  22.301
   88    HA   HIS  14           HA       HIS  14  16.188  19.160  20.472
   89    HB2  HIS  14           HB2      HIS  14  16.220  19.260  23.511
   90    HB3  HIS  14           HB1      HIS  14  16.446  17.755  22.645
   91    HD1  HIS  14           HD1      HIS  14  18.792  17.522  23.763
   92    HD2  HIS  14           HD2      HIS  14  18.313  20.660  21.020
   93    HE1  HIS  14           HE1      HIS  14  21.123  18.169  23.002
   94    H    GLN  15           HN       GLN  15  14.609  17.907  19.559
   95    HA   GLN  15           HA       GLN  15  12.012  17.518  20.842
   96    HB2  GLN  15           HB2      GLN  15  13.214  16.444  18.261
   97    HB3  GLN  15           HB1      GLN  15  11.534  16.276  18.769
   98    HG2  GLN  15           HG2      GLN  15  11.152  18.667  18.665
   99    HG3  GLN  15           HG1      GLN  15  12.861  18.981  18.332
  100   HE21  GLN  15          HE21      GLN  15  13.730  17.580  16.357
  101   HE22  GLN  15          HE22      GLN  15  12.729  17.696  14.924
  102    H    LYS  16           HN       LYS  16  15.035  15.762  20.509
  103    HA   LYS  16           HA       LYS  16  13.891  13.338  21.826
  104    HB2  LYS  16           HB2      LYS  16  16.038  13.729  19.719
  105    HB3  LYS  16           HB1      LYS  16  15.988  12.270  20.700
  106    HG2  LYS  16           HG2      LYS  16  13.751  11.724  19.995
  107    HG3  LYS  16           HG1      LYS  16  13.577  13.255  19.124
  108    HD2  LYS  16           HD2      LYS  16  15.086  12.629  17.429
  109    HD3  LYS  16           HD1      LYS  16  15.770  11.304  18.378
  110    HE2  LYS  16           HE2      LYS  16  14.276  10.568  16.512
  111    HE3  LYS  16           HE1      LYS  16  13.809   9.952  18.108
  112    HZ1  LYS  16           HZ1      LYS  16  11.924  10.702  16.876
  113    HZ2  LYS  16           HZ2      LYS  16  12.150  11.666  18.236
  114    HZ3  LYS  16           HZ3      LYS  16  12.584  12.241  16.716
  115    HN1  NH2  17           H2       NH2  17  16.836  13.103  23.985
  116    HN2  NH2  17           H1       NH2  17  15.980  12.099  22.836
  117    H1   ACE   0           H1       ACE   0  29.284  11.412  15.168
  118    H2   ACE   0           H2       ACE   0  30.147  10.294  16.246
  119    H3   ACE   0           H3       ACE   0  28.372  10.195  16.084
  120    H    ASP   1           HN       ASP   1  28.453  13.314  16.023
  121    HA   ASP   1           HA       ASP   1  28.018  13.722  18.823
  122    HB2  ASP   1           HB2      ASP   1  30.728  13.747  18.110
  123    HB3  ASP   1           HB1      ASP   1  30.309  15.437  18.023
  124    H    ALA   2           HN       ALA   2  28.085  16.128  19.332
  125    HA   ALA   2           HA       ALA   2  27.415  18.001  17.201
  126    HB1  ALA   2           HB1      ALA   2  25.289  18.650  18.252
  127    HB2  ALA   2           HB2      ALA   2  25.241  16.969  17.672
  128    HB3  ALA   2           HB3      ALA   2  25.429  17.309  19.407
  129    H    GLU   3           HN       GLU   3  28.437  17.186  20.440
  130    HA   GLU   3           HA       GLU   3  28.219  19.547  21.866
  131    HB2  GLU   3           HB2      GLU   3  29.107  17.021  22.330
  132    HB3  GLU   3           HB1      GLU   3  30.638  17.877  22.355
  133    HG2  GLU   3           HG2      GLU   3  28.163  18.540  24.026
  134    HG3  GLU   3           HG1      GLU   3  29.544  17.605  24.585
  135    H    PHE   4           HN       PHE   4  30.390  18.938  19.215
  136    HA   PHE   4           HA       PHE   4  32.481  20.735  19.727
  137    HB2  PHE   4           HB2      PHE   4  32.525  20.832  17.140
  138    HB3  PHE   4           HB1      PHE   4  32.848  19.322  17.969
  139    HD1  PHE   4           HD1      PHE   4  29.958  21.169  16.346
  140    HD2  PHE   4           HD2      PHE   4  31.877  17.385  17.132
  141    HE1  PHE   4           HE1      PHE   4  28.304  20.021  14.907
  142    HE2  PHE   4           HE2      PHE   4  30.234  16.256  15.676
  143    HZ   PHE   4           HZ       PHE   4  28.443  17.563  14.559
  144    H    GLY   5           HN       GLY   5  29.150  21.423  18.812
  145    HA2  GLY   5           HA2      GLY   5  29.749  24.350  18.941
  146    HA3  GLY   5           HA1      GLY   5  28.666  23.655  17.717
  147    H    HIS   6           HN       HIS   6  27.843  21.634  20.039
  148    HA   HIS   6           HA       HIS   6  25.378  23.016  20.463
  149    HB2  HIS   6           HB2      HIS   6  25.058  20.758  20.196
  150    HB3  HIS   6           HB1      HIS   6  26.510  20.331  21.053
  151    HD2  HIS   6           HD2      HIS   6  26.481  20.241  23.748
  152    HE1  HIS   6           HE1      HIS   6  22.301  19.608  23.988
  153    HE2  HIS   6           HE2      HIS   6  24.494  19.463  25.250
  154    H    ASP   7           HN       ASP   7  24.859  24.422  21.898
  155    HA   ASP   7           HA       ASP   7  26.391  24.929  24.320
  156    HB2  ASP   7           HB2      ASP   7  24.617  26.664  24.674
  157    HB3  ASP   7           HB1      ASP   7  25.553  26.799  23.189
  158    H    SER   8           HN       SER   8  22.907  24.388  23.893
  159    HA   SER   8           HA       SER   8  22.812  21.812  25.079
  160    HB2  SER   8           HB2      SER   8  21.999  24.134  26.813
  161    HB3  SER   8           HB1      SER   8  21.051  22.635  26.829
  162    HG   SER   8           HG       SER   8  22.878  22.804  28.344
  163    H    GLY   9           HN       GLY   9  20.398  24.466  25.211
  164    HA2  GLY   9           HA2      GLY   9  18.675  25.003  23.862
  165    HA3  GLY   9           HA1      GLY   9  19.348  23.959  22.587
  166    H    PHE  10           HN       PHE  10  18.371  23.002  25.876
  167    HA   PHE  10           HA       PHE  10  16.636  20.932  24.728
  168    HB2  PHE  10           HB2      PHE  10  16.874  19.922  27.052
  169    HB3  PHE  10           HB1      PHE  10  18.221  19.902  25.937
  170    HD1  PHE  10           HD1      PHE  10  17.859  23.133  27.656
  171    HD2  PHE  10           HD2      PHE  10  19.513  19.170  27.931
  172    HE1  PHE  10           HE1      PHE  10  19.491  23.950  29.275
  173    HE2  PHE  10           HE2      PHE  10  21.126  19.983  29.629
  174    HZ   PHE  10           HZ       PHE  10  21.134  22.382  30.294
  175    H    GLU  11           HN       GLU  11  16.286  23.719  26.951
  176    HA   GLU  11           HA       GLU  11  13.425  22.980  27.293
  177    HB2  GLU  11           HB2      GLU  11  13.338  24.033  29.281
  178    HB3  GLU  11           HB1      GLU  11  14.895  23.247  29.352
  179    HG2  GLU  11           HG2      GLU  11  14.422  26.231  28.876
  180    HG3  GLU  11           HG1      GLU  11  14.761  25.475  30.409
  181    H    VAL  12           HN       VAL  12  15.505  25.842  26.809
  182    HA   VAL  12           HA       VAL  12  13.620  26.978  24.823
  183    HB   VAL  12           HB       VAL  12  14.628  28.516  26.498
  184   HG11  VAL  12          HG11      VAL  12  17.024  29.173  26.306
  185   HG12  VAL  12          HG12      VAL  12  16.808  27.552  26.948
  186   HG13  VAL  12          HG13      VAL  12  17.318  27.776  25.264
  187   HG21  VAL  12          HG21      VAL  12  15.324  30.243  24.986
  188   HG22  VAL  12          HG22      VAL  12  15.687  29.077  23.710
  189   HG23  VAL  12          HG23      VAL  12  14.004  29.322  24.237
  190    H    ARG  13           HN       ARG  13  14.641  27.343  22.624
  191    HA   ARG  13           HA       ARG  13  16.106  25.084  21.642
  192    HB2  ARG  13           HB2      ARG  13  16.180  26.285  19.551
  193    HB3  ARG  13           HB1      ARG  13  14.572  26.325  20.233
  194    HG2  ARG  13           HG2      ARG  13  16.475  28.670  20.666
  195    HG3  ARG  13           HG1      ARG  13  15.652  28.462  19.134
  196    HD2  ARG  13           HD2      ARG  13  13.454  28.337  20.466
  197    HD3  ARG  13           HD1      ARG  13  14.387  28.939  21.843
  198    HE   ARG  13           HE       ARG  13  14.909  30.606  19.618
  199   HH11  ARG  13          HH11      ARG  13  12.174  29.825  21.767
  200   HH12  ARG  13          HH12      ARG  13  11.397  31.369  21.504
  201   HH21  ARG  13          HH21      ARG  13  13.820  32.593  19.291
  202   HH22  ARG  13          HH22      ARG  13  12.331  32.918  20.147
  203    H    HIS  14           HN       HIS  14  18.162  25.499  20.229
  204    HA   HIS  14           HA       HIS  14  20.424  26.013  21.794
  205    HB2  HIS  14           HB2      HIS  14  19.844  25.866  18.842
  206    HB3  HIS  14           HB1      HIS  14  21.373  26.550  19.350
  207    HD1  HIS  14           HD1      HIS  14  23.172  24.839  19.070
  208    HD2  HIS  14           HD2      HIS  14  19.581  23.247  20.562
  209    HE1  HIS  14           HE1      HIS  14  23.584  22.361  19.477
  210    H    GLN  15           HN       GLN  15  21.695  27.761  22.206
  211    HA   GLN  15           HA       GLN  15  20.417  30.417  21.752
  212    HB2  GLN  15           HB2      GLN  15  22.006  29.217  24.069
  213    HB3  GLN  15           HB1      GLN  15  21.581  30.926  23.965
  214    HG2  GLN  15           HG2      GLN  15  19.623  28.612  24.149
  215    HG3  GLN  15           HG1      GLN  15  20.023  29.759  25.418
  216   HE21  GLN  15          HE21      GLN  15  18.206  29.284  22.436
  217   HE22  GLN  15          HE22      GLN  15  17.355  30.814  22.466
  218    H    LYS  16           HN       LYS  16  23.488  28.713  21.376
  219    HA   LYS  16           HA       LYS  16  24.888  31.339  21.085
  220    HB2  LYS  16           HB2      LYS  16  25.980  28.650  21.976
  221    HB3  LYS  16           HB1      LYS  16  26.877  30.166  21.870
  222    HG2  LYS  16           HG2      LYS  16  25.464  31.176  23.632
  223    HG3  LYS  16           HG1      LYS  16  24.471  29.717  23.703
  224    HD2  LYS  16           HD2      LYS  16  25.942  29.647  25.562
  225    HD3  LYS  16           HD1      LYS  16  26.437  28.397  24.425
  226    HE2  LYS  16           HE2      LYS  16  28.189  30.054  23.557
  227    HE3  LYS  16           HE1      LYS  16  27.789  31.049  24.973
  228    HZ1  LYS  16           HZ1      LYS  16  29.641  29.585  25.389
  229    HZ2  LYS  16           HZ2      LYS  16  28.336  29.177  26.369
  230    HZ3  LYS  16           HZ3      LYS  16  28.703  28.238  25.023
  231    HN1  NH2  17           H2       NH2  17  26.569  30.481  18.086
  232    HN2  NH2  17           H1       NH2  17  26.574  31.507  19.506
  Start of MODEL    5
    1    H1   ACE   0           H1       ACE   0  33.349  16.336  23.052
    2    H2   ACE   0           H2       ACE   0  33.312  15.631  24.675
    3    H3   ACE   0           H3       ACE   0  34.014  14.707  23.319
    4    H    ASP   1           HN       ASP   1  31.907  15.670  21.478
    5    HA   ASP   1           HA       ASP   1  29.972  15.046  20.567
    6    HB2  ASP   1           HB2      ASP   1  30.279  12.584  22.319
    7    HB3  ASP   1           HB1      ASP   1  29.153  12.749  20.978
    8    H    ALA   2           HN       ALA   2  27.602  14.319  21.012
    9    HA   ALA   2           HA       ALA   2  26.528  15.167  23.575
   10    HB1  ALA   2           HB1      ALA   2  25.311  17.127  22.629
   11    HB2  ALA   2           HB2      ALA   2  27.065  17.372  22.684
   12    HB3  ALA   2           HB3      ALA   2  26.269  16.985  21.143
   13    H    GLU   3           HN       GLU   3  26.090  13.776  20.420
   14    HA   GLU   3           HA       GLU   3  23.322  14.069  20.133
   15    HB2  GLU   3           HB2      GLU   3  25.057  11.889  18.937
   16    HB3  GLU   3           HB1      GLU   3  23.470  12.425  18.383
   17    HG2  GLU   3           HG2      GLU   3  24.681  13.680  16.943
   18    HG3  GLU   3           HG1      GLU   3  24.741  14.803  18.296
   19    H    PHE   4           HN       PHE   4  24.989  11.884  22.219
   20    HA   PHE   4           HA       PHE   4  23.043   9.855  22.635
   21    HB2  PHE   4           HB2      PHE   4  24.176   9.747  24.890
   22    HB3  PHE   4           HB1      PHE   4  25.206   9.558  23.485
   23    HD1  PHE   4           HD1      PHE   4  24.155  12.052  26.093
   24    HD2  PHE   4           HD2      PHE   4  27.095  10.966  23.125
   25    HE1  PHE   4           HE1      PHE   4  25.663  13.840  26.919
   26    HE2  PHE   4           HE2      PHE   4  28.600  12.739  23.977
   27    HZ   PHE   4           HZ       PHE   4  27.887  14.186  25.860
   28    H    GLY   5           HN       GLY   5  22.999  13.245  23.404
   29    HA2  GLY   5           HA2      GLY   5  20.349  12.991  24.711
   30    HA3  GLY   5           HA1      GLY   5  21.616  14.021  25.410
   31    H    HIS   6           HN       HIS   6  21.579  13.846  21.917
   32    HA   HIS   6           HA       HIS   6  20.069  16.381  21.671
   33    HB2  HIS   6           HB2      HIS   6  22.222  17.260  21.875
   34    HB3  HIS   6           HB1      HIS   6  22.979  15.943  21.022
   35    HD2  HIS   6           HD2      HIS   6  22.761  15.797  18.333
   36    HE1  HIS   6           HE1      HIS   6  21.719  19.851  17.748
   37    HE2  HIS   6           HE2      HIS   6  22.505  17.730  16.610
   38    H    ASP   7           HN       ASP   7  18.901  16.582  19.999
   39    HA   ASP   7           HA       ASP   7  19.199  14.838  17.598
   40    HB2  ASP   7           HB2      ASP   7  16.759  14.958  17.420
   41    HB3  ASP   7           HB1      ASP   7  17.222  14.168  18.883
   42    H    SER   8           HN       SER   8  18.616  18.056  18.964
   43    HA   SER   8           HA       SER   8  18.680  19.462  16.416
   44    HB2  SER   8           HB2      SER   8  16.461  18.269  16.448
   45    HB3  SER   8           HB1      SER   8  16.037  19.174  17.907
   46    HG   SER   8           HG       SER   8  15.249  20.116  15.980
   47    H    GLY   9           HN       GLY   9  16.773  21.502  17.788
   48    HA2  GLY   9           HA2      GLY   9  16.933  22.968  19.664
   49    HA3  GLY   9           HA1      GLY   9  18.639  22.555  19.874
   50    H    PHE  10           HN       PHE  10  17.693  23.051  16.542
   51    HA   PHE  10           HA       PHE  10  19.545  25.310  16.567
   52    HB2  PHE  10           HB2      PHE  10  19.481  24.895  14.079
   53    HB3  PHE  10           HB1      PHE  10  20.178  23.680  15.137
   54    HD1  PHE  10           HD1      PHE  10  16.960  24.503  13.404
   55    HD2  PHE  10           HD2      PHE  10  19.570  21.420  14.894
   56    HE1  PHE  10           HE1      PHE  10  15.543  22.784  12.320
   57    HE2  PHE  10           HE2      PHE  10  18.191  19.706  13.758
   58    HZ   PHE  10           HZ       PHE  10  16.173  20.384  12.473
   59    H    GLU  11           HN       GLU  11  16.072  24.989  16.034
   60    HA   GLU  11           HA       GLU  11  15.939  27.757  16.557
   61    HB2  GLU  11           HB2      GLU  11  14.877  28.756  14.821
   62    HB3  GLU  11           HB1      GLU  11  16.149  27.860  14.020
   63    HG2  GLU  11           HG2      GLU  11  13.208  27.046  14.123
   64    HG3  GLU  11           HG1      GLU  11  13.986  27.927  12.825
   65    H    VAL  12           HN       VAL  12  14.084  24.954  15.346
   66    HA   VAL  12           HA       VAL  12  12.153  24.957  17.508
   67    HB   VAL  12           HB       VAL  12  12.047  23.592  15.356
   68   HG11  VAL  12          HG11      VAL  12  13.234  21.504  15.148
   69   HG12  VAL  12          HG12      VAL  12  14.423  22.809  15.310
   70   HG13  VAL  12          HG13      VAL  12  14.056  21.753  16.692
   71   HG21  VAL  12          HG21      VAL  12  11.120  21.570  16.429
   72   HG22  VAL  12          HG22      VAL  12  11.806  22.086  17.983
   73   HG23  VAL  12          HG23      VAL  12  10.562  23.068  17.179
   74    H    ARG  13           HN       ARG  13  12.534  24.120  19.604
   75    HA   ARG  13           HA       ARG  13  15.288  23.755  20.482
   76    HB2  ARG  13           HB2      ARG  13  14.220  23.253  22.678
   77    HB3  ARG  13           HB1      ARG  13  13.961  24.839  22.002
   78    HG2  ARG  13           HG2      ARG  13  11.968  24.013  23.075
   79    HG3  ARG  13           HG1      ARG  13  11.675  24.275  21.355
   80    HD2  ARG  13           HD2      ARG  13  11.809  21.883  20.911
   81    HD3  ARG  13           HD1      ARG  13  12.358  21.578  22.570
   82    HE   ARG  13           HE       ARG  13   9.630  22.125  21.647
   83   HH11  ARG  13          HH11      ARG  13  11.782  21.926  24.487
   84   HH12  ARG  13          HH12      ARG  13  10.454  21.696  25.599
   85   HH21  ARG  13          HH21      ARG  13   7.963  21.869  23.123
   86   HH22  ARG  13          HH22      ARG  13   8.302  21.662  24.833
   87    H    HIS  14           HN       HIS  14  15.457  21.581  22.036
   88    HA   HIS  14           HA       HIS  14  15.748  19.315  20.353
   89    HB2  HIS  14           HB2      HIS  14  15.547  19.680  23.362
   90    HB3  HIS  14           HB1      HIS  14  15.627  18.082  22.645
   91    HD1  HIS  14           HD1      HIS  14  17.955  17.584  23.792
   92    HD2  HIS  14           HD2      HIS  14  17.875  20.800  21.102
   93    HE1  HIS  14           HE1      HIS  14  20.374  18.153  23.272
   94    H    GLN  15           HN       GLN  15  14.264  18.022  19.491
   95    HA   GLN  15           HA       GLN  15  11.476  18.141  20.360
   96    HB2  GLN  15           HB2      GLN  15  12.763  16.452  18.179
   97    HB3  GLN  15           HB1      GLN  15  11.043  16.754  18.447
   98    HG2  GLN  15           HG2      GLN  15  11.510  19.237  18.111
   99    HG3  GLN  15           HG1      GLN  15  13.145  18.803  17.605
  100   HE21  GLN  15          HE21      GLN  15   9.946  19.306  16.533
  101   HE22  GLN  15          HE22      GLN  15  10.114  18.597  14.939
  102    H    LYS  16           HN       LYS  16  14.304  16.111  20.928
  103    HA   LYS  16           HA       LYS  16  12.848  13.871  22.087
  104    HB2  LYS  16           HB2      LYS  16  15.749  14.778  22.282
  105    HB3  LYS  16           HB1      LYS  16  15.092  13.369  23.111
  106    HG2  LYS  16           HG2      LYS  16  14.360  12.451  20.881
  107    HG3  LYS  16           HG1      LYS  16  15.266  13.747  20.107
  108    HD2  LYS  16           HD2      LYS  16  16.345  11.550  21.931
  109    HD3  LYS  16           HD1      LYS  16  16.591  11.697  20.190
  110    HE2  LYS  16           HE2      LYS  16  17.921  13.770  20.568
  111    HE3  LYS  16           HE1      LYS  16  17.701  13.592  22.309
  112    HZ1  LYS  16           HZ1      LYS  16  19.791  12.709  21.576
  113    HZ2  LYS  16           HZ2      LYS  16  18.820  11.468  22.165
  114    HZ3  LYS  16           HZ3      LYS  16  19.025  11.660  20.507
  115    HN1  NH2  17           H2       NH2  17  11.873  15.400  25.090
  116    HN2  NH2  17           H1       NH2  17  11.404  14.560  23.626
  117    H1   ACE   0           H1       ACE   0  29.952  12.131  14.237
  118    H2   ACE   0           H2       ACE   0  30.765  13.026  12.940
  119    H3   ACE   0           H3       ACE   0  31.705  12.409  14.318
  120    H    ASP   1           HN       ASP   1  29.614  13.123  16.229
  121    HA   ASP   1           HA       ASP   1  29.583  14.574  17.893
  122    HB2  ASP   1           HB2      ASP   1  31.962  15.208  16.815
  123    HB3  ASP   1           HB1      ASP   1  31.145  16.742  16.536
  124    H    ALA   2           HN       ALA   2  28.883  16.882  18.456
  125    HA   ALA   2           HA       ALA   2  27.226  18.321  16.542
  126    HB1  ALA   2           HB1      ALA   2  25.157  18.076  17.920
  127    HB2  ALA   2           HB2      ALA   2  25.653  16.575  17.118
  128    HB3  ALA   2           HB3      ALA   2  25.966  16.806  18.857
  129    H    GLU   3           HN       GLU   3  28.977  18.042  19.496
  130    HA   GLU   3           HA       GLU   3  27.787  20.022  21.084
  131    HB2  GLU   3           HB2      GLU   3  29.342  17.991  21.558
  132    HB3  GLU   3           HB1      GLU   3  30.656  19.130  21.359
  133    HG2  GLU   3           HG2      GLU   3  28.309  19.493  23.284
  134    HG3  GLU   3           HG1      GLU   3  29.788  18.662  23.717
  135    H    PHE   4           HN       PHE   4  29.808  20.475  18.329
  136    HA   PHE   4           HA       PHE   4  30.928  23.044  18.898
  137    HB2  PHE   4           HB2      PHE   4  30.956  23.222  16.404
  138    HB3  PHE   4           HB1      PHE   4  31.706  21.766  17.038
  139    HD1  PHE   4           HD1      PHE   4  28.737  23.087  15.210
  140    HD2  PHE   4           HD2      PHE   4  30.800  19.559  16.572
  141    HE1  PHE   4           HE1      PHE   4  27.309  21.678  13.753
  142    HE2  PHE   4           HE2      PHE   4  29.416  18.167  15.071
  143    HZ   PHE   4           HZ       PHE   4  27.622  19.210  13.708
  144    H    GLY   5           HN       GLY   5  27.678  21.995  17.946
  145    HA2  GLY   5           HA2      GLY   5  26.686  24.816  17.877
  146    HA3  GLY   5           HA1      GLY   5  25.924  23.400  17.104
  147    H    HIS   6           HN       HIS   6  26.449  21.646  19.453
  148    HA   HIS   6           HA       HIS   6  24.078  22.372  21.009
  149    HB2  HIS   6           HB2      HIS   6  24.164  20.113  20.215
  150    HB3  HIS   6           HB1      HIS   6  25.766  19.855  20.865
  151    HD2  HIS   6           HD2      HIS   6  26.022  19.667  23.602
  152    HE1  HIS   6           HE1      HIS   6  21.902  19.077  24.381
  153    HE2  HIS   6           HE2      HIS   6  24.242  18.969  25.371
  154    H    ASP   7           HN       ASP   7  24.349  23.759  22.499
  155    HA   ASP   7           HA       ASP   7  26.512  23.519  24.530
  156    HB2  ASP   7           HB2      ASP   7  25.871  25.820  25.109
  157    HB3  ASP   7           HB1      ASP   7  26.297  25.711  23.400
  158    H    SER   8           HN       SER   8  23.108  23.245  23.832
  159    HA   SER   8           HA       SER   8  22.283  21.886  26.176
  160    HB2  SER   8           HB2      SER   8  20.914  23.555  27.242
  161    HB3  SER   8           HB1      SER   8  22.569  24.166  27.179
  162    HG   SER   8           HG       SER   8  21.116  25.760  26.584
  163    H    GLY   9           HN       GLY   9  19.516  23.282  25.744
  164    HA2  GLY   9           HA2      GLY   9  18.564  23.951  23.625
  165    HA3  GLY   9           HA1      GLY   9  18.999  22.403  22.926
  166    H    PHE  10           HN       PHE  10  17.835  22.091  26.167
  167    HA   PHE  10           HA       PHE  10  15.755  20.402  25.443
  168    HB2  PHE  10           HB2      PHE  10  15.029  20.890  27.923
  169    HB3  PHE  10           HB1      PHE  10  16.465  19.979  27.515
  170    HD1  PHE  10           HD2      PHE  10  18.711  20.840  27.858
  171    HD2  PHE  10           HD1      PHE  10  15.270  23.198  28.932
  172    HE1  PHE  10           HE2      PHE  10  20.154  22.317  29.209
  173    HE2  PHE  10           HE1      PHE  10  16.746  24.723  30.232
  174    HZ   PHE  10           HZ       PHE  10  19.170  24.282  30.387
  175    H    GLU  11           HN       GLU  11  15.130  23.607  27.005
  176    HA   GLU  11           HA       GLU  11  12.541  23.770  25.512
  177    HB2  GLU  11           HB2      GLU  11  12.328  23.416  27.977
  178    HB3  GLU  11           HB1      GLU  11  13.267  24.894  28.239
  179    HG2  GLU  11           HG2      GLU  11  11.490  26.146  26.906
  180    HG3  GLU  11           HG1      GLU  11  10.535  24.661  26.915
  181    H    VAL  12           HN       VAL  12  14.878  25.922  27.276
  182    HA   VAL  12           HA       VAL  12  15.034  27.866  25.138
  183    HB   VAL  12           HB       VAL  12  15.853  28.291  27.473
  184   HG11  VAL  12          HG11      VAL  12  18.028  27.521  28.214
  185   HG12  VAL  12          HG12      VAL  12  17.021  26.101  27.878
  186   HG13  VAL  12          HG13      VAL  12  18.285  26.600  26.729
  187   HG21  VAL  12          HG21      VAL  12  17.841  29.559  26.747
  188   HG22  VAL  12          HG22      VAL  12  17.893  28.632  25.232
  189   HG23  VAL  12          HG23      VAL  12  16.519  29.703  25.577
  190    H    ARG  13           HN       ARG  13  16.060  27.618  23.232
  191    HA   ARG  13           HA       ARG  13  16.961  24.963  22.470
  192    HB2  ARG  13           HB2      ARG  13  16.865  25.824  20.250
  193    HB3  ARG  13           HB1      ARG  13  15.453  26.366  21.129
  194    HG2  ARG  13           HG2      ARG  13  16.544  28.595  21.506
  195    HG3  ARG  13           HG1      ARG  13  17.921  28.049  20.523
  196    HD2  ARG  13           HD2      ARG  13  16.356  27.591  18.645
  197    HD3  ARG  13           HD1      ARG  13  15.030  28.271  19.625
  198    HE   ARG  13           HE       ARG  13  17.336  30.012  19.445
  199   HH11  ARG  13          HH11      ARG  13  14.357  29.106  17.696
  200   HH12  ARG  13          HH12      ARG  13  14.266  30.647  16.878
  201   HH21  ARG  13          HH21      ARG  13  17.199  31.920  18.384
  202   HH22  ARG  13          HH22      ARG  13  15.898  32.257  17.272
  203    H    HIS  14           HN       HIS  14  18.987  25.786  20.514
  204    HA   HIS  14           HA       HIS  14  21.348  25.794  22.168
  205    HB2  HIS  14           HB2      HIS  14  20.958  26.197  19.175
  206    HB3  HIS  14           HB1      HIS  14  22.521  26.154  19.973
  207    HD1  HIS  14           HD1      HIS  14  22.478  24.000  18.010
  208    HD2  HIS  14           HD2      HIS  14  20.780  23.573  21.819
  209    HE1  HIS  14           HE1      HIS  14  22.519  21.526  18.542
  210    H    GLN  15           HN       GLN  15  22.254  27.430  23.110
  211    HA   GLN  15           HA       GLN  15  21.395  30.194  22.534
  212    HB2  GLN  15           HB2      GLN  15  22.927  28.990  24.873
  213    HB3  GLN  15           HB1      GLN  15  22.404  30.667  24.717
  214    HG2  GLN  15           HG2      GLN  15  20.052  30.008  24.742
  215    HG3  GLN  15           HG1      GLN  15  20.482  28.306  24.713
  216   HE21  GLN  15          HE21      GLN  15  21.406  27.282  26.534
  217   HE22  GLN  15          HE22      GLN  15  21.203  27.962  28.140
  218    H    LYS  16           HN       LYS  16  22.802  31.765  21.928
  219    HA   LYS  16           HA       LYS  16  25.466  30.871  20.900
  220    HB2  LYS  16           HB2      LYS  16  23.092  32.116  19.472
  221    HB3  LYS  16           HB1      LYS  16  24.696  31.937  18.740
  222    HG2  LYS  16           HG2      LYS  16  24.511  29.509  18.786
  223    HG3  LYS  16           HG1      LYS  16  23.019  29.588  19.734
  224    HD2  LYS  16           HD2      LYS  16  21.945  30.868  17.844
  225    HD3  LYS  16           HD1      LYS  16  23.374  30.494  16.858
  226    HE2  LYS  16           HE2      LYS  16  22.968  28.080  17.190
  227    HE3  LYS  16           HE1      LYS  16  21.598  28.444  18.259
  228    HZ1  LYS  16           HZ1      LYS  16  20.873  27.896  16.054
  229    HZ2  LYS  16           HZ2      LYS  16  20.485  29.490  16.425
  230    HZ3  LYS  16           HZ3      LYS  16  21.777  29.155  15.401
  231    HN1  NH2  17           H2       NH2  17  26.704  34.057  21.728
  232    HN2  NH2  17           H1       NH2  17  26.982  32.342  21.514
  Start of MODEL    6
    1    H1   ACE   0           H1       ACE   0  30.013  12.243  19.633
    2    H2   ACE   0           H2       ACE   0  31.554  11.646  20.282
    3    H3   ACE   0           H3       ACE   0  30.126  10.578  20.225
    4    H    ASP   1           HN       ASP   1  28.927  13.555  21.004
    5    HA   ASP   1           HA       ASP   1  28.472  12.795  23.742
    6    HB2  ASP   1           HB2      ASP   1  30.675  13.893  23.946
    7    HB3  ASP   1           HB1      ASP   1  30.003  15.368  23.237
    8    H    ALA   2           HN       ALA   2  26.773  13.723  24.627
    9    HA   ALA   2           HA       ALA   2  24.936  14.856  25.050
   10    HB1  ALA   2           HB1      ALA   2  24.385  16.961  24.103
   11    HB2  ALA   2           HB2      ALA   2  26.145  16.921  24.304
   12    HB3  ALA   2           HB3      ALA   2  25.421  16.710  22.693
   13    H    GLU   3           HN       GLU   3  25.353  13.266  21.998
   14    HA   GLU   3           HA       GLU   3  22.872  13.883  20.830
   15    HB2  GLU   3           HB2      GLU   3  24.324  11.291  20.296
   16    HB3  GLU   3           HB1      GLU   3  23.216  12.178  19.270
   17    HG2  GLU   3           HG2      GLU   3  25.168  12.746  18.265
   18    HG3  GLU   3           HG1      GLU   3  24.981  14.111  19.358
   19    H    PHE   4           HN       PHE   4  23.392  11.874  23.572
   20    HA   PHE   4           HA       PHE   4  21.231  10.057  23.368
   21    HB2  PHE   4           HB2      PHE   4  21.265  10.186  25.889
   22    HB3  PHE   4           HB1      PHE   4  22.765   9.742  25.107
   23    HD1  PHE   4           HD1      PHE   4  21.030  12.735  26.642
   24    HD2  PHE   4           HD2      PHE   4  24.756  10.785  25.706
   25    HE1  PHE   4           HE1      PHE   4  22.265  14.474  27.903
   26    HE2  PHE   4           HE2      PHE   4  25.988  12.534  26.956
   27    HZ   PHE   4           HZ       PHE   4  24.744  14.376  28.062
   28    H    GLY   5           HN       GLY   5  21.248  13.535  23.883
   29    HA2  GLY   5           HA2      GLY   5  18.270  13.508  24.002
   30    HA3  GLY   5           HA1      GLY   5  19.259  14.616  24.983
   31    H    HIS   6           HN       HIS   6  21.059  14.502  22.297
   32    HA   HIS   6           HA       HIS   6  19.729  16.862  21.078
   33    HB2  HIS   6           HB2      HIS   6  21.893  17.412  21.914
   34    HB3  HIS   6           HB1      HIS   6  22.610  15.952  21.269
   35    HD2  HIS   6           HD2      HIS   6  22.921  15.750  18.556
   36    HE1  HIS   6           HE1      HIS   6  23.180  19.934  17.984
   37    HE2  HIS   6           HE2      HIS   6  23.599  17.666  16.927
   38    H    ASP   7           HN       ASP   7  18.840  16.668  19.207
   39    HA   ASP   7           HA       ASP   7  19.847  14.717  17.192
   40    HB2  ASP   7           HB2      ASP   7  17.760  14.960  16.083
   41    HB3  ASP   7           HB1      ASP   7  17.439  14.551  17.753
   42    H    SER   8           HN       SER   8  18.743  17.963  17.853
   43    HA   SER   8           HA       SER   8  20.683  19.385  16.279
   44    HB2  SER   8           HB2      SER   8  19.088  20.453  14.806
   45    HB3  SER   8           HB1      SER   8  19.060  18.702  14.560
   46    HG   SER   8           HG       SER   8  16.973  19.483  14.617
   47    H    GLY   9           HN       GLY   9  18.138  21.412  16.567
   48    HA2  GLY   9           HA2      GLY   9  16.895  21.968  18.537
   49    HA3  GLY   9           HA1      GLY   9  18.341  21.773  19.535
   50    H    PHE  10           HN       PHE  10  18.158  23.456  16.352
   51    HA   PHE  10           HA       PHE  10  19.710  25.589  17.462
   52    HB2  PHE  10           HB2      PHE  10  19.374  26.474  15.001
   53    HB3  PHE  10           HB1      PHE  10  20.458  25.178  15.455
   54    HD1  PHE  10           HD1      PHE  10  16.938  25.644  14.199
   55    HD2  PHE  10           HD2      PHE  10  20.478  23.235  14.200
   56    HE1  PHE  10           HE1      PHE  10  15.870  24.073  12.605
   57    HE2  PHE  10           HE2      PHE  10  19.416  21.638  12.640
   58    HZ   PHE  10           HZ       PHE  10  17.111  22.059  11.826
   59    H    GLU  11           HN       GLU  11  16.315  25.661  16.105
   60    HA   GLU  11           HA       GLU  11  15.914  27.999  17.877
   61    HB2  GLU  11           HB2      GLU  11  14.956  29.372  16.392
   62    HB3  GLU  11           HB1      GLU  11  16.247  28.702  15.433
   63    HG2  GLU  11           HG2      GLU  11  13.316  27.841  15.274
   64    HG3  GLU  11           HG1      GLU  11  14.063  29.056  14.265
   65    H    VAL  12           HN       VAL  12  14.416  25.401  15.965
   66    HA   VAL  12           HA       VAL  12  12.380  24.815  17.960
   67    HB   VAL  12           HB       VAL  12  12.428  23.981  15.569
   68   HG11  VAL  12          HG11      VAL  12  13.752  22.004  15.005
   69   HG12  VAL  12          HG12      VAL  12  14.821  23.381  15.336
   70   HG13  VAL  12          HG13      VAL  12  14.616  22.083  16.538
   71   HG21  VAL  12          HG21      VAL  12  11.563  21.789  16.081
   72   HG22  VAL  12          HG22      VAL  12  12.383  21.793  17.649
   73   HG23  VAL  12          HG23      VAL  12  11.045  22.929  17.336
   74    H    ARG  13           HN       ARG  13  12.755  23.462  19.822
   75    HA   ARG  13           HA       ARG  13  15.593  23.134  20.601
   76    HB2  ARG  13           HB2      ARG  13  14.722  22.623  22.817
   77    HB3  ARG  13           HB1      ARG  13  14.189  24.163  22.198
   78    HG2  ARG  13           HG2      ARG  13  12.403  23.179  23.374
   79    HG3  ARG  13           HG1      ARG  13  11.957  23.158  21.668
   80    HD2  ARG  13           HD2      ARG  13  12.405  20.775  21.519
   81    HD3  ARG  13           HD1      ARG  13  13.148  20.772  23.141
   82    HE   ARG  13           HE       ARG  13  10.459  21.803  23.144
   83   HH11  ARG  13          HH11      ARG  13  12.193  18.697  23.111
   84   HH12  ARG  13          HH12      ARG  13  10.980  17.901  24.079
   85   HH21  ARG  13          HH21      ARG  13   8.956  20.774  24.417
   86   HH22  ARG  13          HH22      ARG  13   9.149  19.086  24.833
   87    H    HIS  14           HN       HIS  14  15.684  20.873  22.034
   88    HA   HIS  14           HA       HIS  14  16.257  18.889  20.156
   89    HB2  HIS  14           HB2      HIS  14  15.783  18.837  23.155
   90    HB3  HIS  14           HB1      HIS  14  16.270  17.402  22.260
   91    HD1  HIS  14           HD1      HIS  14  18.231  18.210  24.423
   92    HD2  HIS  14           HD2      HIS  14  18.301  19.724  20.523
   93    HE1  HIS  14           HE1      HIS  14  20.617  18.962  23.993
   94    H    GLN  15           HN       GLN  15  15.103  17.426  19.107
   95    HA   GLN  15           HA       GLN  15  12.219  17.209  19.668
   96    HB2  GLN  15           HB2      GLN  15  13.743  16.468  17.148
   97    HB3  GLN  15           HB1      GLN  15  12.001  16.669  17.335
   98    HG2  GLN  15           HG2      GLN  15  12.348  19.090  17.839
   99    HG3  GLN  15           HG1      GLN  15  14.082  18.884  17.537
  100   HE21  GLN  15          HE21      GLN  15  14.787  18.180  15.373
  101   HE22  GLN  15          HE22      GLN  15  13.821  18.677  13.994
  102    H    LYS  16           HN       LYS  16  14.197  15.504  21.223
  103    HA   LYS  16           HA       LYS  16  14.175  12.865  20.150
  104    HB2  LYS  16           HB2      LYS  16  14.931  12.093  22.245
  105    HB3  LYS  16           HB1      LYS  16  15.759  13.597  21.930
  106    HG2  LYS  16           HG2      LYS  16  14.411  14.793  23.542
  107    HG3  LYS  16           HG1      LYS  16  13.298  13.424  23.722
  108    HD2  LYS  16           HD2      LYS  16  15.189  12.023  24.569
  109    HD3  LYS  16           HD1      LYS  16  16.217  13.470  24.562
  110    HE2  LYS  16           HE2      LYS  16  14.870  14.555  26.208
  111    HE3  LYS  16           HE1      LYS  16  13.568  13.356  26.040
  112    HZ1  LYS  16           HZ1      LYS  16  14.868  12.967  27.999
  113    HZ2  LYS  16           HZ2      LYS  16  15.038  11.691  26.917
  114    HZ3  LYS  16           HZ3      LYS  16  16.273  12.820  27.086
  115    HN1  NH2  17           H2       NH2  17  10.475  13.240  21.769
  116    HN2  NH2  17           H1       NH2  17  11.508  14.621  21.459
  117    H1   ACE   0           H1       ACE   0  29.111  11.319  16.459
  118    H2   ACE   0           H2       ACE   0  30.533  11.573  15.420
  119    H3   ACE   0           H3       ACE   0  30.727  10.883  17.051
  120    H    ASP   1           HN       ASP   1  28.436  13.501  16.539
  121    HA   ASP   1           HA       ASP   1  29.820  15.220  18.364
  122    HB2  ASP   1           HB2      ASP   1  30.894  15.388  15.850
  123    HB3  ASP   1           HB1      ASP   1  29.618  16.561  15.689
  124    H    ALA   2           HN       ALA   2  28.764  17.254  18.671
  125    HA   ALA   2           HA       ALA   2  26.042  17.706  17.644
  126    HB1  ALA   2           HB1      ALA   2  25.192  18.006  19.973
  127    HB2  ALA   2           HB2      ALA   2  25.694  16.330  19.674
  128    HB3  ALA   2           HB3      ALA   2  26.737  17.427  20.606
  129    H    GLU   3           HN       GLU   3  28.910  18.676  19.465
  130    HA   GLU   3           HA       GLU   3  28.005  21.203  20.349
  131    HB2  GLU   3           HB2      GLU   3  30.704  19.842  20.336
  132    HB3  GLU   3           HB1      GLU   3  30.390  21.382  21.147
  133    HG2  GLU   3           HG2      GLU   3  28.756  20.396  22.622
  134    HG3  GLU   3           HG1      GLU   3  28.786  18.861  21.754
  135    H    PHE   4           HN       PHE   4  29.022  20.505  17.223
  136    HA   PHE   4           HA       PHE   4  30.281  22.856  16.322
  137    HB2  PHE   4           HB2      PHE   4  28.850  22.393  14.245
  138    HB3  PHE   4           HB1      PHE   4  29.995  21.179  14.780
  139    HD1  PHE   4           HD1      PHE   4  26.334  22.055  14.851
  140    HD2  PHE   4           HD2      PHE   4  29.321  18.968  15.238
  141    HE1  PHE   4           HE1      PHE   4  24.551  20.328  14.876
  142    HE2  PHE   4           HE2      PHE   4  27.530  17.254  15.206
  143    HZ   PHE   4           HZ       PHE   4  25.167  17.929  15.071
  144    H    GLY   5           HN       GLY   5  26.986  22.378  17.489
  145    HA2  GLY   5           HA2      GLY   5  26.876  25.194  18.039
  146    HA3  GLY   5           HA1      GLY   5  25.654  24.720  16.875
  147    H    HIS   6           HN       HIS   6  26.617  22.281  19.241
  148    HA   HIS   6           HA       HIS   6  24.169  22.732  20.837
  149    HB2  HIS   6           HB2      HIS   6  24.512  20.435  20.201
  150    HB3  HIS   6           HB1      HIS   6  26.147  20.441  20.838
  151    HD2  HIS   6           HD2      HIS   6  26.511  20.565  23.520
  152    HE1  HIS   6           HE1      HIS   6  22.625  19.198  24.514
  153    HE2  HIS   6           HE2      HIS   6  24.957  19.653  25.407
  154    H    ASP   7           HN       ASP   7  24.170  23.629  22.661
  155    HA   ASP   7           HA       ASP   7  26.529  23.735  24.442
  156    HB2  ASP   7           HB2      ASP   7  25.874  25.990  25.132
  157    HB3  ASP   7           HB1      ASP   7  26.256  25.978  23.423
  158    H    SER   8           HN       SER   8  23.148  23.342  23.852
  159    HA   SER   8           HA       SER   8  22.341  22.210  26.333
  160    HB2  SER   8           HB2      SER   8  20.886  24.012  27.112
  161    HB3  SER   8           HB1      SER   8  22.573  24.531  27.140
  162    HG   SER   8           HG       SER   8  21.254  26.135  26.268
  163    H    GLY   9           HN       GLY   9  19.651  23.832  25.369
  164    HA2  GLY   9           HA2      GLY   9  18.503  23.923  23.334
  165    HA3  GLY   9           HA1      GLY   9  19.343  22.493  22.733
  166    H    PHE  10           HN       PHE  10  18.153  22.157  25.969
  167    HA   PHE  10           HA       PHE  10  16.414  20.013  25.093
  168    HB2  PHE  10           HB2      PHE  10  16.155  19.978  27.757
  169    HB3  PHE  10           HB1      PHE  10  17.526  19.310  26.899
  170    HD1  PHE  10           HD1      PHE  10  16.473  22.602  28.462
  171    HD2  PHE  10           HD2      PHE  10  19.684  19.855  27.581
  172    HE1  PHE  10           HE1      PHE  10  18.069  24.074  29.657
  173    HE2  PHE  10           HE2      PHE  10  21.261  21.318  28.808
  174    HZ   PHE  10           HZ       PHE  10  20.463  23.430  29.836
  175    H    GLU  11           HN       GLU  11  15.861  23.326  26.152
  176    HA   GLU  11           HA       GLU  11  12.953  23.012  25.919
  177    HB2  GLU  11           HB2      GLU  11  13.437  22.315  28.232
  178    HB3  GLU  11           HB1      GLU  11  14.289  23.834  28.538
  179    HG2  GLU  11           HG2      GLU  11  12.224  25.100  28.184
  180    HG3  GLU  11           HG1      GLU  11  11.351  23.630  27.733
  181    H    VAL  12           HN       VAL  12  15.344  25.387  27.338
  182    HA   VAL  12           HA       VAL  12  14.736  27.347  25.255
  183    HB   VAL  12           HB       VAL  12  15.896  27.957  27.420
  184   HG11  VAL  12          HG11      VAL  12  18.293  27.690  27.651
  185   HG12  VAL  12          HG12      VAL  12  17.568  26.078  27.506
  186   HG13  VAL  12          HG13      VAL  12  18.410  26.812  26.122
  187   HG21  VAL  12          HG21      VAL  12  17.344  29.623  26.351
  188   HG22  VAL  12          HG22      VAL  12  17.337  28.704  24.835
  189   HG23  VAL  12          HG23      VAL  12  15.844  29.437  25.430
  190    H    ARG  13           HN       ARG  13  15.574  27.313  23.211
  191    HA   ARG  13           HA       ARG  13  16.922  24.962  22.188
  192    HB2  ARG  13           HB2      ARG  13  16.897  26.213  20.057
  193    HB3  ARG  13           HB1      ARG  13  15.334  26.074  20.830
  194    HG2  ARG  13           HG2      ARG  13  15.461  28.254  19.954
  195    HG3  ARG  13           HG1      ARG  13  15.575  28.434  21.684
  196    HD2  ARG  13           HD2      ARG  13  17.873  29.000  21.608
  197    HD3  ARG  13           HD1      ARG  13  18.065  28.345  19.973
  198    HE   ARG  13           HE       ARG  13  16.102  30.450  20.095
  199   HH11  ARG  13          HH11      ARG  13  19.618  29.927  19.701
  200   HH12  ARG  13          HH12      ARG  13  19.849  31.508  18.999
  201   HH21  ARG  13          HH21      ARG  13  16.478  32.446  19.284
  202   HH22  ARG  13          HH22      ARG  13  18.078  32.943  18.786
  203    H    HIS  14           HN       HIS  14  18.941  25.540  20.659
  204    HA   HIS  14           HA       HIS  14  21.138  25.874  22.376
  205    HB2  HIS  14           HB2      HIS  14  20.910  26.138  19.348
  206    HB3  HIS  14           HB1      HIS  14  22.439  26.130  20.214
  207    HD1  HIS  14           HD1      HIS  14  21.816  23.907  18.108
  208    HD2  HIS  14           HD2      HIS  14  21.355  23.653  22.255
  209    HE1  HIS  14           HE1      HIS  14  22.002  21.448  18.703
  210    H    GLN  15           HN       GLN  15  22.146  27.594  23.178
  211    HA   GLN  15           HA       GLN  15  21.572  30.272  22.051
  212    HB2  GLN  15           HB2      GLN  15  22.855  29.625  24.729
  213    HB3  GLN  15           HB1      GLN  15  22.223  31.171  24.156
  214    HG2  GLN  15           HG2      GLN  15  19.912  29.945  23.989
  215    HG3  GLN  15           HG1      GLN  15  20.667  28.676  24.944
  216   HE21  GLN  15          HE21      GLN  15  20.534  28.885  27.147
  217   HE22  GLN  15          HE22      GLN  15  20.169  30.380  27.984
  218    H    LYS  16           HN       LYS  16  23.914  27.855  21.878
  219    HA   LYS  16           HA       LYS  16  25.645  29.629  20.387
  220    HB2  LYS  16           HB2      LYS  16  26.415  28.616  23.084
  221    HB3  LYS  16           HB1      LYS  16  27.569  28.171  21.840
  222    HG2  LYS  16           HG2      LYS  16  26.659  31.022  22.368
  223    HG3  LYS  16           HG1      LYS  16  28.150  30.283  22.963
  224    HD2  LYS  16           HD2      LYS  16  28.917  29.891  20.635
  225    HD3  LYS  16           HD1      LYS  16  27.436  30.627  20.012
  226    HE2  LYS  16           HE2      LYS  16  28.033  32.723  21.308
  227    HE3  LYS  16           HE1      LYS  16  29.606  31.970  21.642
  228    HZ1  LYS  16           HZ1      LYS  16  29.682  33.400  19.721
  229    HZ2  LYS  16           HZ2      LYS  16  29.967  31.804  19.276
  230    HZ3  LYS  16           HZ3      LYS  16  28.472  32.509  18.965
  231    HN1  NH2  17           H2       NH2  17  25.878  25.488  20.300
  232    HN2  NH2  17           H1       NH2  17  25.624  26.300  21.827
  Start of MODEL    7
    1    H1   ACE   0           H1       ACE   0  33.604  13.081  23.553
    2    H2   ACE   0           H2       ACE   0  32.886  13.197  25.173
    3    H3   ACE   0           H3       ACE   0  33.410  11.617  24.537
    4    H    ASP   1           HN       ASP   1  31.995  13.590  22.166
    5    HA   ASP   1           HA       ASP   1  30.173  13.483  20.901
    6    HB2  ASP   1           HB2      ASP   1  29.468  10.883  22.297
    7    HB3  ASP   1           HB1      ASP   1  28.686  11.533  20.868
    8    H    ALA   2           HN       ALA   2  27.570  13.306  21.101
    9    HA   ALA   2           HA       ALA   2  26.564  14.461  23.600
   10    HB1  ALA   2           HB1      ALA   2  25.989  16.641  22.519
   11    HB2  ALA   2           HB2      ALA   2  27.733  16.366  22.650
   12    HB3  ALA   2           HB3      ALA   2  26.920  16.143  21.087
   13    H    GLU   3           HN       GLU   3  25.977  12.976  20.516
   14    HA   GLU   3           HA       GLU   3  23.338  13.949  20.143
   15    HB2  GLU   3           HB2      GLU   3  24.488  11.481  18.817
   16    HB3  GLU   3           HB1      GLU   3  23.183  12.518  18.269
   17    HG2  GLU   3           HG2      GLU   3  24.795  13.413  16.953
   18    HG3  GLU   3           HG1      GLU   3  25.146  14.378  18.381
   19    H    PHE   4           HN       PHE   4  24.440  11.509  22.248
   20    HA   PHE   4           HA       PHE   4  22.076   9.891  22.499
   21    HB2  PHE   4           HB2      PHE   4  23.053   9.546  24.833
   22    HB3  PHE   4           HB1      PHE   4  24.047   9.072  23.470
   23    HD1  PHE   4           HD1      PHE   4  23.546  11.926  25.891
   24    HD2  PHE   4           HD2      PHE   4  26.264   9.857  23.258
   25    HE1  PHE   4           HE1      PHE   4  25.399  13.372  26.657
   26    HE2  PHE   4           HE2      PHE   4  28.123  11.265  24.083
   27    HZ   PHE   4           HZ       PHE   4  27.700  13.037  25.768
   28    H    GLY   5           HN       GLY   5  22.821  13.193  23.305
   29    HA2  GLY   5           HA2      GLY   5  20.134  13.572  24.491
   30    HA3  GLY   5           HA1      GLY   5  21.570  14.295  25.246
   31    H    HIS   6           HN       HIS   6  21.396  14.016  21.727
   32    HA   HIS   6           HA       HIS   6  20.246  16.680  21.353
   33    HB2  HIS   6           HB2      HIS   6  22.531  17.346  21.682
   34    HB3  HIS   6           HB1      HIS   6  23.136  16.051  20.658
   35    HD2  HIS   6           HD2      HIS   6  22.899  16.275  17.999
   36    HE1  HIS   6           HE1      HIS   6  21.632  20.311  17.890
   37    HE2  HIS   6           HE2      HIS   6  22.442  18.357  16.500
   38    H    ASP   7           HN       ASP   7  18.743  16.304  19.927
   39    HA   ASP   7           HA       ASP   7  19.157  14.393  17.677
   40    HB2  ASP   7           HB2      ASP   7  16.732  14.309  17.587
   41    HB3  ASP   7           HB1      ASP   7  17.275  13.929  19.213
   42    H    SER   8           HN       SER   8  18.576  17.740  18.511
   43    HA   SER   8           HA       SER   8  18.888  18.888  15.929
   44    HB2  SER   8           HB2      SER   8  16.612  17.758  15.676
   45    HB3  SER   8           HB1      SER   8  16.012  18.846  16.935
   46    HG   SER   8           HG       SER   8  15.749  19.529  14.693
   47    H    GLY   9           HN       GLY   9  17.201  21.263  16.552
   48    HA2  GLY   9           HA2      GLY   9  16.905  22.584  18.650
   49    HA3  GLY   9           HA1      GLY   9  18.589  22.252  19.032
   50    H    PHE  10           HN       PHE  10  17.242  23.151  15.796
   51    HA   PHE  10           HA       PHE  10  19.231  25.321  15.654
   52    HB2  PHE  10           HB2      PHE  10  18.710  25.274  13.252
   53    HB3  PHE  10           HB1      PHE  10  19.229  23.726  13.885
   54    HD1  PHE  10           HD1      PHE  10  16.194  25.628  12.774
   55    HD2  PHE  10           HD2      PHE  10  17.912  21.767  13.642
   56    HE1  PHE  10           HE1      PHE  10  14.203  24.518  11.798
   57    HE2  PHE  10           HE2      PHE  10  15.929  20.667  12.639
   58    HZ   PHE  10           HZ       PHE  10  14.071  22.032  11.739
   59    H    GLU  11           HN       GLU  11  15.791  25.015  16.055
   60    HA   GLU  11           HA       GLU  11  15.320  27.774  16.531
   61    HB2  GLU  11           HB2      GLU  11  15.356  27.956  14.038
   62    HB3  GLU  11           HB1      GLU  11  14.152  26.669  13.931
   63    HG2  GLU  11           HG2      GLU  11  12.573  28.145  15.280
   64    HG3  GLU  11           HG1      GLU  11  13.788  29.426  15.190
   65    H    VAL  12           HN       VAL  12  13.555  24.966  15.093
   66    HA   VAL  12           HA       VAL  12  11.927  24.479  17.442
   67    HB   VAL  12           HB       VAL  12  11.429  23.433  15.235
   68   HG11  VAL  12          HG11      VAL  12  12.672  21.578  14.358
   69   HG12  VAL  12          HG12      VAL  12  13.781  22.949  14.545
   70   HG13  VAL  12          HG13      VAL  12  13.818  21.611  15.710
   71   HG21  VAL  12          HG21      VAL  12  10.833  21.238  16.110
   72   HG22  VAL  12          HG22      VAL  12  11.989  21.412  17.443
   73   HG23  VAL  12          HG23      VAL  12  10.570  22.476  17.351
   74    H    ARG  13           HN       ARG  13  12.527  23.452  19.257
   75    HA   ARG  13           HA       ARG  13  15.347  23.297  19.931
   76    HB2  ARG  13           HB2      ARG  13  12.673  23.117  21.300
   77    HB3  ARG  13           HB1      ARG  13  14.063  22.455  22.147
   78    HG2  ARG  13           HG2      ARG  13  15.295  24.516  21.981
   79    HG3  ARG  13           HG1      ARG  13  14.062  25.247  20.942
   80    HD2  ARG  13           HD2      ARG  13  13.450  24.287  23.749
   81    HD3  ARG  13           HD1      ARG  13  14.073  25.910  23.436
   82    HE   ARG  13           HE       ARG  13  11.973  25.762  21.715
   83   HH11  ARG  13          HH11      ARG  13  12.190  25.154  25.225
   84   HH12  ARG  13          HH12      ARG  13  10.536  25.643  25.505
   85   HH21  ARG  13          HH21      ARG  13   9.856  26.422  22.151
   86   HH22  ARG  13          HH22      ARG  13   9.233  26.369  23.781
   87    H    HIS  14           HN       HIS  14  15.611  21.209  21.593
   88    HA   HIS  14           HA       HIS  14  15.869  18.790  20.096
   89    HB2  HIS  14           HB2      HIS  14  15.594  19.351  23.085
   90    HB3  HIS  14           HB1      HIS  14  15.915  17.763  22.404
   91    HD1  HIS  14           HD1      HIS  14  18.172  17.817  23.897
   92    HD2  HIS  14           HD2      HIS  14  17.909  20.606  20.771
   93    HE1  HIS  14           HE1      HIS  14  20.525  18.684  23.490
   94    H    GLN  15           HN       GLN  15  14.471  17.129  19.815
   95    HA   GLN  15           HA       GLN  15  11.746  17.275  21.005
   96    HB2  GLN  15           HB2      GLN  15  12.472  16.345  18.196
   97    HB3  GLN  15           HB1      GLN  15  10.864  16.340  18.938
   98    HG2  GLN  15           HG2      GLN  15  11.227  18.904  19.275
   99    HG3  GLN  15           HG1      GLN  15  12.530  18.727  18.093
  100   HE21  GLN  15          HE21      GLN  15  11.887  17.704  15.931
  101   HE22  GLN  15          HE22      GLN  15  10.287  18.069  15.324
  102    H    LYS  16           HN       LYS  16  14.658  15.511  20.953
  103    HA   LYS  16           HA       LYS  16  13.344  13.583  22.596
  104    HB2  LYS  16           HB2      LYS  16  13.138  12.665  20.144
  105    HB3  LYS  16           HB1      LYS  16  14.849  12.252  20.316
  106    HG2  LYS  16           HG2      LYS  16  14.318  10.953  22.370
  107    HG3  LYS  16           HG1      LYS  16  12.631  11.499  22.262
  108    HD2  LYS  16           HD2      LYS  16  12.442  10.317  20.050
  109    HD3  LYS  16           HD1      LYS  16  14.075   9.680  20.297
  110    HE2  LYS  16           HE2      LYS  16  12.394   8.027  20.972
  111    HE3  LYS  16           HE1      LYS  16  13.339   8.554  22.375
  112    HZ1  LYS  16           HZ1      LYS  16  11.011   8.423  22.871
  113    HZ2  LYS  16           HZ2      LYS  16  11.530  10.020  22.965
  114    HZ3  LYS  16           HZ3      LYS  16  10.641   9.503  21.635
  115    HN1  NH2  17           H2       NH2  17  17.484  13.683  22.256
  116    HN2  NH2  17           H1       NH2  17  16.519  13.852  20.807
  117    H1   ACE   0           H1       ACE   0  30.005  11.392  15.574
  118    H2   ACE   0           H2       ACE   0  30.661  12.250  14.168
  119    H3   ACE   0           H3       ACE   0  31.756  11.641  15.431
  120    H    ASP   1           HN       ASP   1  29.654  12.487  17.459
  121    HA   ASP   1           HA       ASP   1  29.399  14.049  18.993
  122    HB2  ASP   1           HB2      ASP   1  31.820  14.420  18.816
  123    HB3  ASP   1           HB1      ASP   1  31.551  15.676  17.609
  124    H    ALA   2           HN       ALA   2  28.653  16.354  19.374
  125    HA   ALA   2           HA       ALA   2  27.652  17.832  17.078
  126    HB1  ALA   2           HB1      ALA   2  25.331  17.966  17.935
  127    HB2  ALA   2           HB2      ALA   2  25.777  16.340  17.405
  128    HB3  ALA   2           HB3      ALA   2  25.714  16.722  19.145
  129    H    GLU   3           HN       GLU   3  28.937  17.749  20.269
  130    HA   GLU   3           HA       GLU   3  27.713  20.045  21.372
  131    HB2  GLU   3           HB2      GLU   3  28.958  18.173  22.546
  132    HB3  GLU   3           HB1      GLU   3  30.454  19.021  22.152
  133    HG2  GLU   3           HG2      GLU   3  29.768  20.956  23.445
  134    HG3  GLU   3           HG1      GLU   3  28.118  20.377  23.578
  135    H    PHE   4           HN       PHE   4  30.088  19.903  18.879
  136    HA   PHE   4           HA       PHE   4  31.344  22.442  19.145
  137    HB2  PHE   4           HB2      PHE   4  31.532  22.233  16.634
  138    HB3  PHE   4           HB1      PHE   4  32.182  20.905  17.572
  139    HD1  PHE   4           HD1      PHE   4  29.332  21.910  15.355
  140    HD2  PHE   4           HD2      PHE   4  31.350  18.677  17.349
  141    HE1  PHE   4           HE1      PHE   4  28.086  20.262  13.977
  142    HE2  PHE   4           HE2      PHE   4  30.214  17.049  15.890
  143    HZ   PHE   4           HZ       PHE   4  28.538  17.826  14.229
  144    H    GLY   5           HN       GLY   5  28.085  21.539  18.161
  145    HA2  GLY   5           HA2      GLY   5  27.382  24.397  17.653
  146    HA3  GLY   5           HA1      GLY   5  26.715  23.024  16.740
  147    H    HIS   6           HN       HIS   6  27.058  22.002  19.921
  148    HA   HIS   6           HA       HIS   6  24.263  22.737  20.649
  149    HB2  HIS   6           HB2      HIS   6  24.125  20.459  20.157
  150    HB3  HIS   6           HB1      HIS   6  25.733  20.108  20.733
  151    HD2  HIS   6           HD2      HIS   6  26.149  19.584  23.285
  152    HE1  HIS   6           HE1      HIS   6  22.104  19.608  24.538
  153    HE2  HIS   6           HE2      HIS   6  24.488  19.062  25.225
  154    H    ASP   7           HN       ASP   7  24.040  23.823  22.419
  155    HA   ASP   7           HA       ASP   7  26.124  23.730  24.554
  156    HB2  ASP   7           HB2      ASP   7  25.496  26.035  25.067
  157    HB3  ASP   7           HB1      ASP   7  26.169  25.883  23.447
  158    H    SER   8           HN       SER   8  22.661  23.922  23.749
  159    HA   SER   8           HA       SER   8  21.888  22.479  26.143
  160    HB2  SER   8           HB2      SER   8  21.040  25.371  25.739
  161    HB3  SER   8           HB1      SER   8  20.207  24.219  26.807
  162    HG   SER   8           HG       SER   8  21.703  25.520  27.909
  163    H    GLY   9           HN       GLY   9  19.177  24.186  25.120
  164    HA2  GLY   9           HA2      GLY   9  17.973  24.094  23.081
  165    HA3  GLY   9           HA1      GLY   9  18.720  22.544  22.671
  166    H    PHE  10           HN       PHE  10  17.644  22.664  25.962
  167    HA   PHE  10           HA       PHE  10  15.354  20.933  25.270
  168    HB2  PHE  10           HB2      PHE  10  15.611  20.668  27.962
  169    HB3  PHE  10           HB1      PHE  10  16.319  19.648  26.739
  170    HD1  PHE  10           HD1      PHE  10  18.702  19.910  26.015
  171    HD2  PHE  10           HD2      PHE  10  17.046  22.075  29.342
  172    HE1  PHE  10           HE1      PHE  10  20.984  20.500  26.768
  173    HE2  PHE  10           HE2      PHE  10  19.335  22.662  30.106
  174    HZ   PHE  10           HZ       PHE  10  21.309  21.865  28.813
  175    H    GLU  11           HN       GLU  11  15.498  23.022  28.257
  176    HA   GLU  11           HA       GLU  11  12.846  24.029  27.464
  177    HB2  GLU  11           HB2      GLU  11  12.549  24.886  29.563
  178    HB3  GLU  11           HB1      GLU  11  13.310  23.328  29.808
  179    HG2  GLU  11           HG2      GLU  11  14.689  26.049  30.045
  180    HG3  GLU  11           HG1      GLU  11  14.073  25.086  31.376
  181    H    VAL  12           HN       VAL  12  16.128  25.331  27.979
  182    HA   VAL  12           HA       VAL  12  15.556  27.848  26.594
  183    HB   VAL  12           HB       VAL  12  17.201  27.539  28.494
  184   HG11  VAL  12          HG11      VAL  12  19.420  26.625  28.016
  185   HG12  VAL  12          HG12      VAL  12  18.202  25.364  27.775
  186   HG13  VAL  12          HG13      VAL  12  18.923  26.177  26.383
  187   HG21  VAL  12          HG21      VAL  12  18.891  29.023  27.612
  188   HG22  VAL  12          HG22      VAL  12  18.451  28.615  25.949
  189   HG23  VAL  12          HG23      VAL  12  17.302  29.497  26.986
  190    H    ARG  13           HN       ARG  13  16.777  28.327  24.514
  191    HA   ARG  13           HA       ARG  13  16.823  26.034  22.652
  192    HB2  ARG  13           HB2      ARG  13  17.350  29.007  22.246
  193    HB3  ARG  13           HB1      ARG  13  17.392  27.778  20.975
  194    HG2  ARG  13           HG2      ARG  13  15.018  27.170  21.572
  195    HG3  ARG  13           HG1      ARG  13  14.959  28.615  22.593
  196    HD2  ARG  13           HD2      ARG  13  15.459  30.018  20.623
  197    HD3  ARG  13           HD1      ARG  13  15.648  28.566  19.620
  198    HE   ARG  13           HE       ARG  13  13.068  28.665  20.923
  199   HH11  ARG  13          HH11      ARG  13  14.855  29.862  18.077
  200   HH12  ARG  13          HH12      ARG  13  13.405  30.067  17.129
  201   HH21  ARG  13          HH21      ARG  13  11.217  28.923  19.630
  202   HH22  ARG  13          HH22      ARG  13  11.359  29.526  17.998
  203    H    HIS  14           HN       HIS  14  18.805  26.124  21.054
  204    HA   HIS  14           HA       HIS  14  21.427  26.277  22.345
  205    HB2  HIS  14           HB2      HIS  14  20.496  26.376  19.439
  206    HB3  HIS  14           HB1      HIS  14  22.175  26.516  19.940
  207    HD1  HIS  14           HD1      HIS  14  22.487  24.384  18.300
  208    HD2  HIS  14           HD2      HIS  14  20.466  23.780  21.916
  209    HE1  HIS  14           HE1      HIS  14  22.547  21.898  18.738
  210    H    GLN  15           HN       GLN  15  22.535  28.218  22.685
  211    HA   GLN  15           HA       GLN  15  22.061  30.617  21.205
  212    HB2  GLN  15           HB2      GLN  15  21.054  31.987  23.007
  213    HB3  GLN  15           HB1      GLN  15  19.956  30.784  22.363
  214    HG2  GLN  15           HG2      GLN  15  20.293  29.353  24.321
  215    HG3  GLN  15           HG1      GLN  15  21.537  30.428  24.947
  216   HE21  GLN  15          HE21      GLN  15  18.080  30.360  23.936
  217   HE22  GLN  15          HE22      GLN  15  17.541  31.543  25.112
  218    H    LYS  16           HN       LYS  16  23.750  28.914  23.764
  219    HA   LYS  16           HA       LYS  16  25.224  31.216  24.717
  220    HB2  LYS  16           HB2      LYS  16  25.832  28.251  24.946
  221    HB3  LYS  16           HB1      LYS  16  26.697  29.539  25.784
  222    HG2  LYS  16           HG2      LYS  16  24.644  30.216  26.946
  223    HG3  LYS  16           HG1      LYS  16  23.732  28.924  26.135
  224    HD2  LYS  16           HD2      LYS  16  25.299  27.252  27.191
  225    HD3  LYS  16           HD1      LYS  16  26.044  28.580  28.102
  226    HE2  LYS  16           HE2      LYS  16  23.094  27.824  28.173
  227    HE3  LYS  16           HE1      LYS  16  24.286  27.323  29.384
  228    HZ1  LYS  16           HZ1      LYS  16  23.045  29.221  30.108
  229    HZ2  LYS  16           HZ2      LYS  16  24.663  29.629  29.903
  230    HZ3  LYS  16           HZ3      LYS  16  23.525  30.105  28.760
  231    HN1  NH2  17           H2       NH2  17  28.190  31.323  22.792
  232    HN2  NH2  17           H1       NH2  17  27.356  31.846  24.241
  Start of MODEL    8
    1    H1   ACE   0           H1       ACE   0  33.602  13.938  22.088
    2    H2   ACE   0           H2       ACE   0  33.626  13.844  23.859
    3    H3   ACE   0           H3       ACE   0  34.091  12.429  22.882
    4    H    ASP   1           HN       ASP   1  31.741  13.481  21.074
    5    HA   ASP   1           HA       ASP   1  29.717  12.789  20.500
    6    HB2  ASP   1           HB2      ASP   1  29.661  10.940  22.910
    7    HB3  ASP   1           HB1      ASP   1  28.576  10.921  21.531
    8    H    ALA   2           HN       ALA   2  27.383  12.958  21.083
    9    HA   ALA   2           HA       ALA   2  26.774  14.653  23.418
   10    HB1  ALA   2           HB1      ALA   2  26.117  16.564  21.980
   11    HB2  ALA   2           HB2      ALA   2  27.849  16.208  21.842
   12    HB3  ALA   2           HB3      ALA   2  26.738  15.686  20.557
   13    H    GLU   3           HN       GLU   3  25.655  12.890  20.549
   14    HA   GLU   3           HA       GLU   3  22.942  13.788  20.805
   15    HB2  GLU   3           HB2      GLU   3  23.837  11.555  18.981
   16    HB3  GLU   3           HB1      GLU   3  22.467  12.638  18.832
   17    HG2  GLU   3           HG2      GLU   3  23.774  13.735  17.368
   18    HG3  GLU   3           HG1      GLU   3  24.467  14.495  18.793
   19    H    PHE   4           HN       PHE   4  24.354  11.729  22.826
   20    HA   PHE   4           HA       PHE   4  22.199   9.828  23.297
   21    HB2  PHE   4           HB2      PHE   4  23.266   9.894  25.634
   22    HB3  PHE   4           HB1      PHE   4  24.231   9.290  24.299
   23    HD1  PHE   4           HD1      PHE   4  23.672  12.419  26.340
   24    HD2  PHE   4           HD2      PHE   4  26.384  10.150  23.867
   25    HE1  PHE   4           HE1      PHE   4  25.459  14.061  26.787
   26    HE2  PHE   4           HE2      PHE   4  28.189  11.759  24.397
   27    HZ   PHE   4           HZ       PHE   4  27.735  13.729  25.827
   28    H    GLY   5           HN       GLY   5  22.806  13.241  23.857
   29    HA2  GLY   5           HA2      GLY   5  20.203  13.590  25.271
   30    HA3  GLY   5           HA1      GLY   5  21.702  14.414  25.753
   31    H    HIS   6           HN       HIS   6  21.033  13.909  22.311
   32    HA   HIS   6           HA       HIS   6  19.960  16.601  21.938
   33    HB2  HIS   6           HB2      HIS   6  22.187  17.312  22.046
   34    HB3  HIS   6           HB1      HIS   6  22.812  15.864  21.289
   35    HD2  HIS   6           HD2      HIS   6  22.419  15.559  18.588
   36    HE1  HIS   6           HE1      HIS   6  21.905  19.672  17.771
   37    HE2  HIS   6           HE2      HIS   6  22.315  17.395  16.747
   38    H    ASP   7           HN       ASP   7  18.858  16.882  20.202
   39    HA   ASP   7           HA       ASP   7  19.843  15.996  17.716
   40    HB2  ASP   7           HB2      ASP   7  18.327  14.038  18.175
   41    HB3  ASP   7           HB1      ASP   7  16.971  15.169  18.261
   42    H    SER   8           HN       SER   8  19.457  17.673  16.269
   43    HA   SER   8           HA       SER   8  19.046  19.817  15.638
   44    HB2  SER   8           HB2      SER   8  16.262  19.143  16.663
   45    HB3  SER   8           HB1      SER   8  16.670  20.480  15.568
   46    HG   SER   8           HG       SER   8  15.953  18.628  14.466
   47    H    GLY   9           HN       GLY   9  16.834  21.477  17.185
   48    HA2  GLY   9           HA2      GLY   9  16.611  22.291  19.398
   49    HA3  GLY   9           HA1      GLY   9  18.328  22.010  19.711
   50    H    PHE  10           HN       PHE  10  17.945  23.497  16.644
   51    HA   PHE  10           HA       PHE  10  19.328  25.806  17.650
   52    HB2  PHE  10           HB2      PHE  10  19.308  26.381  15.130
   53    HB3  PHE  10           HB1      PHE  10  20.216  25.004  15.717
   54    HD1  PHE  10           HD1      PHE  10  16.892  25.886  14.177
   55    HD2  PHE  10           HD2      PHE  10  19.884  22.848  14.837
   56    HE1  PHE  10           HE1      PHE  10  15.677  24.348  12.663
   57    HE2  PHE  10           HE2      PHE  10  18.665  21.319  13.309
   58    HZ   PHE  10           HZ       PHE  10  16.570  22.070  12.219
   59    H    GLU  11           HN       GLU  11  15.946  25.346  16.881
   60    HA   GLU  11           HA       GLU  11  15.282  27.985  17.821
   61    HB2  GLU  11           HB2      GLU  11  15.859  28.624  15.509
   62    HB3  GLU  11           HB1      GLU  11  14.773  27.380  14.870
   63    HG2  GLU  11           HG2      GLU  11  12.831  28.537  15.867
   64    HG3  GLU  11           HG1      GLU  11  13.901  29.711  16.642
   65    H    VAL  12           HN       VAL  12  14.093  25.320  15.710
   66    HA   VAL  12           HA       VAL  12  11.915  24.570  17.481
   67    HB   VAL  12           HB       VAL  12  12.110  23.740  15.139
   68   HG11  VAL  12          HG11      VAL  12  13.649  21.994  14.497
   69   HG12  VAL  12          HG12      VAL  12  14.581  23.399  15.039
   70   HG13  VAL  12          HG13      VAL  12  14.406  21.980  16.095
   71   HG21  VAL  12          HG21      VAL  12  11.444  21.442  15.607
   72   HG22  VAL  12          HG22      VAL  12  12.155  21.532  17.230
   73   HG23  VAL  12          HG23      VAL  12  10.756  22.545  16.813
   74    H    ARG  13           HN       ARG  13  12.164  23.470  19.436
   75    HA   ARG  13           HA       ARG  13  14.864  23.283  20.557
   76    HB2  ARG  13           HB2      ARG  13  12.058  22.962  21.610
   77    HB3  ARG  13           HB1      ARG  13  13.398  22.268  22.512
   78    HG2  ARG  13           HG2      ARG  13  12.971  24.422  23.382
   79    HG3  ARG  13           HG1      ARG  13  14.552  24.437  22.606
   80    HD2  ARG  13           HD2      ARG  13  13.679  25.716  20.730
   81    HD3  ARG  13           HD1      ARG  13  12.016  25.530  21.330
   82    HE   ARG  13           HE       ARG  13  13.243  26.636  23.462
   83   HH11  ARG  13          HH11      ARG  13  13.121  27.774  20.083
   84   HH12  ARG  13          HH12      ARG  13  13.139  29.454  20.574
   85   HH21  ARG  13          HH21      ARG  13  13.277  28.763  24.017
   86   HH22  ARG  13          HH22      ARG  13  13.240  30.018  22.801
   87    H    HIS  14           HN       HIS  14  15.013  21.068  22.022
   88    HA   HIS  14           HA       HIS  14  16.068  19.297  20.193
   89    HB2  HIS  14           HB2      HIS  14  15.490  19.188  23.135
   90    HB3  HIS  14           HB1      HIS  14  15.857  17.672  22.334
   91    HD1  HIS  14           HD1      HIS  14  17.970  18.076  24.234
   92    HD2  HIS  14           HD2      HIS  14  18.012  20.015  20.512
   93    HE1  HIS  14           HE1      HIS  14  20.381  18.679  23.749
   94    H    GLN  15           HN       GLN  15  15.563  17.622  19.132
   95    HA   GLN  15           HA       GLN  15  12.757  16.666  19.036
   96    HB2  GLN  15           HB2      GLN  15  15.040  16.773  17.020
   97    HB3  GLN  15           HB1      GLN  15  13.530  15.895  16.735
   98    HG2  GLN  15           HG2      GLN  15  12.299  18.091  17.188
   99    HG3  GLN  15           HG1      GLN  15  13.871  18.892  17.175
  100   HE21  GLN  15          HE21      GLN  15  11.892  16.611  15.165
  101   HE22  GLN  15          HE22      GLN  15  12.368  17.309  13.631
  102    H    LYS  16           HN       LYS  16  12.748  14.309  18.098
  103    HA   LYS  16           HA       LYS  16  14.558  12.592  19.723
  104    HB2  LYS  16           HB2      LYS  16  11.512  12.484  19.664
  105    HB3  LYS  16           HB1      LYS  16  12.571  11.378  20.541
  106    HG2  LYS  16           HG2      LYS  16  12.292  14.370  21.094
  107    HG3  LYS  16           HG1      LYS  16  11.472  13.095  21.977
  108    HD2  LYS  16           HD2      LYS  16  13.500  12.254  22.919
  109    HD3  LYS  16           HD1      LYS  16  14.512  13.229  21.840
  110    HE2  LYS  16           HE2      LYS  16  13.718  15.296  22.840
  111    HE3  LYS  16           HE1      LYS  16  12.592  14.403  23.884
  112    HZ1  LYS  16           HZ1      LYS  16  14.579  15.007  25.046
  113    HZ2  LYS  16           HZ2      LYS  16  14.470  13.334  24.911
  114    HZ3  LYS  16           HZ3      LYS  16  15.532  14.190  23.927
  115    HN1  NH2  17           H2       NH2  17  14.842  11.045  16.546
  116    HN2  NH2  17           H1       NH2  17  15.600  12.137  17.685
  117    H1   ACE   0           H1       ACE   0  28.860  11.852  14.966
  118    H2   ACE   0           H2       ACE   0  29.884  10.803  15.965
  119    H3   ACE   0           H3       ACE   0  28.125  10.871  16.256
  120    H    ASP   1           HN       ASP   1  28.074  13.843  15.853
  121    HA   ASP   1           HA       ASP   1  28.562  14.569  18.577
  122    HB2  ASP   1           HB2      ASP   1  30.891  14.745  17.305
  123    HB3  ASP   1           HB1      ASP   1  30.188  16.232  16.667
  124    H    ALA   2           HN       ALA   2  28.284  17.010  18.829
  125    HA   ALA   2           HA       ALA   2  26.466  18.341  16.946
  126    HB1  ALA   2           HB1      ALA   2  24.718  18.605  18.630
  127    HB2  ALA   2           HB2      ALA   2  24.990  16.877  18.292
  128    HB3  ALA   2           HB3      ALA   2  25.625  17.616  19.782
  129    H    GLU   3           HN       GLU   3  28.715  18.301  19.567
  130    HA   GLU   3           HA       GLU   3  28.044  20.587  21.009
  131    HB2  GLU   3           HB2      GLU   3  29.284  18.552  21.693
  132    HB3  GLU   3           HB1      GLU   3  30.701  19.131  20.813
  133    HG2  GLU   3           HG2      GLU   3  31.026  20.935  22.298
  134    HG3  GLU   3           HG1      GLU   3  29.381  20.839  22.949
  135    H    PHE   4           HN       PHE   4  29.658  20.477  17.966
  136    HA   PHE   4           HA       PHE   4  31.115  22.902  17.930
  137    HB2  PHE   4           HB2      PHE   4  30.529  22.835  15.488
  138    HB3  PHE   4           HB1      PHE   4  31.256  21.374  16.119
  139    HD1  PHE   4           HD1      PHE   4  28.046  22.869  14.925
  140    HD2  PHE   4           HD2      PHE   4  30.044  19.252  16.153
  141    HE1  PHE   4           HE1      PHE   4  26.194  21.509  13.989
  142    HE2  PHE   4           HE2      PHE   4  28.252  17.907  15.125
  143    HZ   PHE   4           HZ       PHE   4  26.304  19.032  14.064
  144    H    GLY   5           HN       GLY   5  27.635  22.344  18.092
  145    HA2  GLY   5           HA2      GLY   5  27.167  25.262  18.236
  146    HA3  GLY   5           HA1      GLY   5  26.204  24.283  17.114
  147    H    HIS   6           HN       HIS   6  26.851  22.312  19.752
  148    HA   HIS   6           HA       HIS   6  24.200  22.869  20.973
  149    HB2  HIS   6           HB2      HIS   6  24.334  20.634  20.173
  150    HB3  HIS   6           HB1      HIS   6  25.953  20.410  20.812
  151    HD2  HIS   6           HD2      HIS   6  26.276  20.143  23.498
  152    HE1  HIS   6           HE1      HIS   6  22.270  19.025  24.281
  153    HE2  HIS   6           HE2      HIS   6  24.610  19.146  25.239
  154    H    ASP   7           HN       ASP   7  24.050  23.671  22.883
  155    HA   ASP   7           HA       ASP   7  26.191  23.319  24.921
  156    HB2  ASP   7           HB2      ASP   7  25.562  25.406  25.895
  157    HB3  ASP   7           HB1      ASP   7  25.864  25.709  24.197
  158    H    SER   8           HN       SER   8  22.769  23.394  24.066
  159    HA   SER   8           HA       SER   8  21.947  21.284  25.806
  160    HB2  SER   8           HB2      SER   8  20.368  22.590  27.169
  161    HB3  SER   8           HB1      SER   8  22.053  22.984  27.527
  162    HG   SER   8           HG       SER   8  20.878  24.877  27.369
  163    H    GLY   9           HN       GLY   9  19.256  23.248  25.438
  164    HA2  GLY   9           HA2      GLY   9  18.386  23.953  23.234
  165    HA3  GLY   9           HA1      GLY   9  18.764  22.346  22.618
  166    H    PHE  10           HN       PHE  10  17.532  22.281  25.860
  167    HA   PHE  10           HA       PHE  10  15.300  20.752  24.831
  168    HB2  PHE  10           HB2      PHE  10  15.121  20.243  27.395
  169    HB3  PHE  10           HB1      PHE  10  16.347  19.536  26.363
  170    HD1  PHE  10           HD1      PHE  10  16.130  22.830  28.208
  171    HD2  PHE  10           HD2      PHE  10  18.353  19.211  27.502
  172    HE1  PHE  10           HE1      PHE  10  17.922  23.653  29.684
  173    HE2  PHE  10           HE2      PHE  10  20.151  20.033  28.997
  174    HZ   PHE  10           HZ       PHE  10  19.948  22.261  30.084
  175    H    GLU  11           HN       GLU  11  15.453  23.964  26.286
  176    HA   GLU  11           HA       GLU  11  12.725  24.283  25.506
  177    HB2  GLU  11           HB2      GLU  11  11.573  24.803  27.391
  178    HB3  GLU  11           HB1      GLU  11  12.415  23.337  27.844
  179    HG2  GLU  11           HG2      GLU  11  13.176  26.179  28.662
  180    HG3  GLU  11           HG1      GLU  11  12.306  25.016  29.649
  181    H    VAL  12           HN       VAL  12  15.527  25.669  27.209
  182    HA   VAL  12           HA       VAL  12  15.443  28.095  25.559
  183    HB   VAL  12           HB       VAL  12  16.652  27.958  27.762
  184   HG11  VAL  12          HG11      VAL  12  18.782  26.834  27.990
  185   HG12  VAL  12          HG12      VAL  12  17.575  25.618  27.546
  186   HG13  VAL  12          HG13      VAL  12  18.715  26.227  26.328
  187   HG21  VAL  12          HG21      VAL  12  18.655  29.143  27.012
  188   HG22  VAL  12          HG22      VAL  12  18.412  28.559  25.357
  189   HG23  VAL  12          HG23      VAL  12  17.226  29.655  26.091
  190    H    ARG  13           HN       ARG  13  16.347  28.144  23.454
  191    HA   ARG  13           HA       ARG  13  17.030  25.561  22.216
  192    HB2  ARG  13           HB2      ARG  13  17.098  26.851  20.109
  193    HB3  ARG  13           HB1      ARG  13  15.580  26.874  20.953
  194    HG2  ARG  13           HG2      ARG  13  15.953  29.017  20.010
  195    HG3  ARG  13           HG1      ARG  13  16.079  29.200  21.763
  196    HD2  ARG  13           HD2      ARG  13  18.506  29.260  21.631
  197    HD3  ARG  13           HD1      ARG  13  18.468  28.805  19.917
  198    HE   ARG  13           HE       ARG  13  17.947  31.434  21.109
  199   HH11  ARG  13          HH11      ARG  13  17.738  29.477  18.128
  200   HH12  ARG  13          HH12      ARG  13  17.676  30.884  17.100
  201   HH21  ARG  13          HH21      ARG  13  17.857  33.210  19.700
  202   HH22  ARG  13          HH22      ARG  13  17.759  32.958  17.976
  203    H    HIS  14           HN       HIS  14  18.996  25.883  20.511
  204    HA   HIS  14           HA       HIS  14  21.393  25.840  22.016
  205    HB2  HIS  14           HB2      HIS  14  20.847  26.128  19.040
  206    HB3  HIS  14           HB1      HIS  14  22.462  26.061  19.701
  207    HD1  HIS  14           HD1      HIS  14  22.480  23.896  17.951
  208    HD2  HIS  14           HD2      HIS  14  20.608  23.571  21.687
  209    HE1  HIS  14           HE1      HIS  14  22.494  21.439  18.542
  210    H    GLN  15           HN       GLN  15  22.825  27.378  22.578
  211    HA   GLN  15           HA       GLN  15  22.983  29.919  21.098
  212    HB2  GLN  15           HB2      GLN  15  22.613  29.761  24.124
  213    HB3  GLN  15           HB1      GLN  15  23.072  31.210  23.217
  214    HG2  GLN  15           HG2      GLN  15  20.922  31.104  21.957
  215    HG3  GLN  15           HG1      GLN  15  20.441  29.699  22.917
  216   HE21  GLN  15          HE21      GLN  15  20.373  29.990  25.350
  217   HE22  GLN  15          HE22      GLN  15  19.825  31.543  25.941
  218    H    LYS  16           HN       LYS  16  25.042  30.717  21.028
  219    HA   LYS  16           HA       LYS  16  27.166  28.840  21.526
  220    HB2  LYS  16           HB2      LYS  16  27.031  30.273  19.543
  221    HB3  LYS  16           HB1      LYS  16  27.144  31.718  20.551
  222    HG2  LYS  16           HG2      LYS  16  29.433  31.103  21.229
  223    HG3  LYS  16           HG1      LYS  16  29.300  29.565  20.360
  224    HD2  LYS  16           HD2      LYS  16  30.607  31.179  19.068
  225    HD3  LYS  16           HD1      LYS  16  29.109  30.769  18.215
  226    HE2  LYS  16           HE2      LYS  16  28.073  32.865  18.976
  227    HE3  LYS  16           HE1      LYS  16  29.520  33.270  19.910
  228    HZ1  LYS  16           HZ1      LYS  16  29.470  34.395  17.806
  229    HZ2  LYS  16           HZ2      LYS  16  30.760  33.317  17.856
  230    HZ3  LYS  16           HZ3      LYS  16  29.377  32.933  16.979
  231    HN1  NH2  17           H2       NH2  17  28.503  29.828  24.617
  232    HN2  NH2  17           H1       NH2  17  28.275  28.593  23.397
  Start of MODEL    9
    1    H1   ACE   0           H1       ACE   0  33.078  16.314  21.063
    2    H2   ACE   0           H2       ACE   0  34.188  15.072  21.682
    3    H3   ACE   0           H3       ACE   0  33.833  15.187  19.937
    4    H    ASP   1           HN       ASP   1  31.082  15.776  21.863
    5    HA   ASP   1           HA       ASP   1  29.614  13.623  20.789
    6    HB2  ASP   1           HB2      ASP   1  29.095  12.292  22.739
    7    HB3  ASP   1           HB1      ASP   1  30.809  12.193  22.409
    8    H    ALA   2           HN       ALA   2  27.393  13.783  21.146
    9    HA   ALA   2           HA       ALA   2  26.212  15.527  23.134
   10    HB1  ALA   2           HB1      ALA   2  25.298  17.137  21.372
   11    HB2  ALA   2           HB2      ALA   2  27.021  17.313  21.767
   12    HB3  ALA   2           HB3      ALA   2  26.544  16.485  20.282
   13    H    GLU   3           HN       GLU   3  25.804  13.588  20.161
   14    HA   GLU   3           HA       GLU   3  23.070  14.086  19.869
   15    HB2  GLU   3           HB2      GLU   3  24.622  11.766  18.686
   16    HB3  GLU   3           HB1      GLU   3  23.060  12.375  18.160
   17    HG2  GLU   3           HG2      GLU   3  24.316  13.473  16.641
   18    HG3  GLU   3           HG1      GLU   3  24.378  14.684  17.918
   19    H    PHE   4           HN       PHE   4  24.348  12.030  22.220
   20    HA   PHE   4           HA       PHE   4  22.390  10.010  22.473
   21    HB2  PHE   4           HB2      PHE   4  23.063  10.099  24.882
   22    HB3  PHE   4           HB1      PHE   4  24.408   9.979  23.758
   23    HD1  PHE   4           HD1      PHE   4  22.539  12.339  25.950
   24    HD2  PHE   4           HD2      PHE   4  26.134  11.678  23.674
   25    HE1  PHE   4           HE1      PHE   4  23.515  14.421  26.890
   26    HE2  PHE   4           HE2      PHE   4  27.102  13.754  24.619
   27    HZ   PHE   4           HZ       PHE   4  25.799  15.130  26.216
   28    H    GLY   5           HN       GLY   5  22.124  13.486  22.973
   29    HA2  GLY   5           HA2      GLY   5  19.204  13.077  23.324
   30    HA3  GLY   5           HA1      GLY   5  20.039  14.288  24.304
   31    H    HIS   6           HN       HIS   6  21.896  14.667  21.707
   32    HA   HIS   6           HA       HIS   6  20.205  16.818  20.660
   33    HB2  HIS   6           HB2      HIS   6  22.586  17.224  21.211
   34    HB3  HIS   6           HB1      HIS   6  23.068  16.177  19.881
   35    HD2  HIS   6           HD2      HIS   6  22.271  17.025  17.313
   36    HE1  HIS   6           HE1      HIS   6  21.539  21.040  18.476
   37    HE2  HIS   6           HE2      HIS   6  21.836  19.463  16.490
   38    H    ASP   7           HN       ASP   7  18.587  15.711  19.667
   39    HA   ASP   7           HA       ASP   7  19.046  14.307  17.132
   40    HB2  ASP   7           HB2      ASP   7  16.598  14.473  16.948
   41    HB3  ASP   7           HB1      ASP   7  17.097  13.744  18.461
   42    H    SER   8           HN       SER   8  18.460  17.538  18.368
   43    HA   SER   8           HA       SER   8  19.388  19.069  16.201
   44    HB2  SER   8           HB2      SER   8  16.399  18.562  16.229
   45    HB3  SER   8           HB1      SER   8  17.008  20.154  15.764
   46    HG   SER   8           HG       SER   8  16.789  18.778  13.981
   47    H    GLY   9           HN       GLY   9  18.118  21.475  16.652
   48    HA2  GLY   9           HA2      GLY   9  16.843  21.994  18.902
   49    HA3  GLY   9           HA1      GLY   9  18.455  22.013  19.542
   50    H    PHE  10           HN       PHE  10  18.107  23.274  16.246
   51    HA   PHE  10           HA       PHE  10  19.150  25.790  17.168
   52    HB2  PHE  10           HB2      PHE  10  19.056  26.273  14.627
   53    HB3  PHE  10           HB1      PHE  10  20.122  25.020  15.229
   54    HD1  PHE  10           HD1      PHE  10  16.750  25.526  13.624
   55    HD2  PHE  10           HD2      PHE  10  19.972  22.790  14.459
   56    HE1  PHE  10           HE1      PHE  10  15.655  23.787  12.238
   57    HE2  PHE  10           HE2      PHE  10  18.874  21.065  13.108
   58    HZ   PHE  10           HZ       PHE  10  16.702  21.546  11.981
   59    H    GLU  11           HN       GLU  11  15.878  24.830  16.301
   60    HA   GLU  11           HA       GLU  11  14.808  27.426  17.030
   61    HB2  GLU  11           HB2      GLU  11  15.379  27.968  14.726
   62    HB3  GLU  11           HB1      GLU  11  14.622  26.478  14.135
   63    HG2  GLU  11           HG2      GLU  11  12.412  27.267  14.817
   64    HG3  GLU  11           HG1      GLU  11  13.125  28.670  15.627
   65    H    VAL  12           HN       VAL  12  13.942  24.534  15.049
   66    HA   VAL  12           HA       VAL  12  12.000  23.483  16.926
   67    HB   VAL  12           HB       VAL  12  12.299  22.623  14.611
   68   HG11  VAL  12          HG11      VAL  12  14.136  21.221  13.940
   69   HG12  VAL  12          HG12      VAL  12  14.796  22.774  14.476
   70   HG13  VAL  12          HG13      VAL  12  14.906  21.349  15.529
   71   HG21  VAL  12          HG21      VAL  12  12.192  20.229  15.145
   72   HG22  VAL  12          HG22      VAL  12  12.826  20.555  16.771
   73   HG23  VAL  12          HG23      VAL  12  11.249  21.211  16.272
   74    H    ARG  13           HN       ARG  13  12.465  22.651  18.935
   75    HA   ARG  13           HA       ARG  13  15.116  22.976  20.090
   76    HB2  ARG  13           HB2      ARG  13  12.388  22.067  21.074
   77    HB3  ARG  13           HB1      ARG  13  13.807  21.848  22.073
   78    HG2  ARG  13           HG2      ARG  13  12.700  23.808  22.737
   79    HG3  ARG  13           HG1      ARG  13  14.296  24.210  22.105
   80    HD2  ARG  13           HD2      ARG  13  13.384  25.188  20.130
   81    HD3  ARG  13           HD1      ARG  13  11.776  24.482  20.426
   82    HE   ARG  13           HE       ARG  13  12.095  25.919  22.656
   83   HH11  ARG  13          HH11      ARG  13  12.551  27.000  19.285
   84   HH12  ARG  13          HH12      ARG  13  12.159  28.657  19.684
   85   HH21  ARG  13          HH21      ARG  13  11.635  28.026  23.103
   86   HH22  ARG  13          HH22      ARG  13  11.667  29.243  21.844
   87    H    HIS  14           HN       HIS  14  15.850  21.143  21.587
   88    HA   HIS  14           HA       HIS  14  16.245  18.493  20.603
   89    HB2  HIS  14           HB2      HIS  14  15.975  19.825  23.330
   90    HB3  HIS  14           HB1      HIS  14  15.965  18.076  23.196
   91    HD1  HIS  14           HD1      HIS  14  18.159  17.132  23.849
   92    HD2  HIS  14           HD2      HIS  14  18.444  20.694  21.636
   93    HE1  HIS  14           HE1      HIS  14  20.643  17.594  23.529
   94    H    GLN  15           HN       GLN  15  14.876  16.795  20.483
   95    HA   GLN  15           HA       GLN  15  12.262  16.810  21.871
   96    HB2  GLN  15           HB2      GLN  15  12.749  16.508  18.891
   97    HB3  GLN  15           HB1      GLN  15  11.293  15.879  19.679
   98    HG2  GLN  15           HG2      GLN  15  10.821  18.185  20.547
   99    HG3  GLN  15           HG1      GLN  15  12.182  18.782  19.579
  100   HE21  GLN  15          HE21      GLN  15  12.125  18.163  17.181
  101   HE22  GLN  15          HE22      GLN  15  10.561  18.167  16.402
  102    H    LYS  16           HN       LYS  16  15.146  15.241  21.361
  103    HA   LYS  16           HA       LYS  16  14.160  12.492  21.503
  104    HB2  LYS  16           HB2      LYS  16  16.228  13.165  20.349
  105    HB3  LYS  16           HB1      LYS  16  16.932  13.692  21.876
  106    HG2  LYS  16           HG2      LYS  16  16.966  11.398  22.705
  107    HG3  LYS  16           HG1      LYS  16  16.011  10.845  21.311
  108    HD2  LYS  16           HD2      LYS  16  17.843  11.526  19.778
  109    HD3  LYS  16           HD1      LYS  16  18.826  12.033  21.167
  110    HE2  LYS  16           HE2      LYS  16  19.018   9.822  21.984
  111    HE3  LYS  16           HE1      LYS  16  17.702   9.225  20.952
  112    HZ1  LYS  16           HZ1      LYS  16  19.834   8.572  20.119
  113    HZ2  LYS  16           HZ2      LYS  16  19.082   9.622  19.042
  114    HZ3  LYS  16           HZ3      LYS  16  20.333  10.174  20.021
  115    HN1  NH2  17           H2       NH2  17  13.326  12.991  24.962
  116    HN2  NH2  17           H1       NH2  17  12.691  12.894  23.333
  117    H1   ACE   0           H1       ACE   0  29.898  13.503  12.470
  118    H2   ACE   0           H2       ACE   0  31.511  13.017  13.020
  119    H3   ACE   0           H3       ACE   0  30.183  11.833  13.011
  120    H    ASP   1           HN       ASP   1  28.887  14.772  13.979
  121    HA   ASP   1           HA       ASP   1  28.710  14.106  16.753
  122    HB2  ASP   1           HB2      ASP   1  31.173  15.097  16.189
  123    HB3  ASP   1           HB1      ASP   1  30.324  16.602  16.510
  124    H    ALA   2           HN       ALA   2  28.312  16.489  17.958
  125    HA   ALA   2           HA       ALA   2  26.817  18.390  16.365
  126    HB1  ALA   2           HB1      ALA   2  24.767  18.274  17.712
  127    HB2  ALA   2           HB2      ALA   2  25.033  16.798  16.771
  128    HB3  ALA   2           HB3      ALA   2  25.360  16.809  18.510
  129    H    GLU   3           HN       GLU   3  28.827  17.650  19.045
  130    HA   GLU   3           HA       GLU   3  28.045  19.554  20.944
  131    HB2  GLU   3           HB2      GLU   3  29.741  17.583  21.064
  132    HB3  GLU   3           HB1      GLU   3  30.933  18.786  20.537
  133    HG2  GLU   3           HG2      GLU   3  30.155  20.227  22.502
  134    HG3  GLU   3           HG1      GLU   3  29.110  18.885  22.978
  135    H    PHE   4           HN       PHE   4  29.720  20.092  17.907
  136    HA   PHE   4           HA       PHE   4  30.979  22.560  18.421
  137    HB2  PHE   4           HB2      PHE   4  30.671  22.909  15.942
  138    HB3  PHE   4           HB1      PHE   4  31.437  21.406  16.375
  139    HD1  PHE   4           HD1      PHE   4  28.264  22.948  15.183
  140    HD2  PHE   4           HD2      PHE   4  30.390  19.252  15.821
  141    HE1  PHE   4           HE1      PHE   4  26.522  21.712  13.943
  142    HE2  PHE   4           HE2      PHE   4  28.714  18.055  14.487
  143    HZ   PHE   4           HZ       PHE   4  26.748  19.263  13.558
  144    H    GLY   5           HN       GLY   5  27.589  21.783  18.026
  145    HA2  GLY   5           HA2      GLY   5  26.817  24.655  18.311
  146    HA3  GLY   5           HA1      GLY   5  25.988  23.493  17.249
  147    H    HIS   6           HN       HIS   6  27.178  22.153  20.208
  148    HA   HIS   6           HA       HIS   6  24.571  22.463  21.566
  149    HB2  HIS   6           HB2      HIS   6  24.331  20.345  20.482
  150    HB3  HIS   6           HB1      HIS   6  25.965  19.862  20.890
  151    HD2  HIS   6           HD2      HIS   6  26.495  18.936  23.345
  152    HE1  HIS   6           HE1      HIS   6  22.478  18.696  24.690
  153    HE2  HIS   6           HE2      HIS   6  24.889  18.049  25.202
  154    H    ASP   7           HN       ASP   7  24.930  23.329  23.418
  155    HA   ASP   7           HA       ASP   7  25.761  21.134  25.014
  156    HB2  ASP   7           HB2      ASP   7  27.661  22.589  25.594
  157    HB3  ASP   7           HB1      ASP   7  26.562  23.905  26.005
  158    H    SER   8           HN       SER   8  24.512  24.486  25.418
  159    HA   SER   8           HA       SER   8  22.012  23.342  26.588
  160    HB2  SER   8           HB2      SER   8  23.879  25.526  27.547
  161    HB3  SER   8           HB1      SER   8  22.229  25.310  28.178
  162    HG   SER   8           HG       SER   8  24.192  24.087  29.129
  163    H    GLY   9           HN       GLY   9  20.369  25.063  26.975
  164    HA2  GLY   9           HA2      GLY   9  18.885  26.596  25.955
  165    HA3  GLY   9           HA1      GLY   9  19.797  26.510  24.429
  166    H    PHE  10           HN       PHE  10  17.738  24.705  26.715
  167    HA   PHE  10           HA       PHE  10  17.473  22.480  24.773
  168    HB2  PHE  10           HB2      PHE  10  16.670  21.316  27.016
  169    HB3  PHE  10           HB1      PHE  10  18.324  21.405  26.472
  170    HD1  PHE  10           HD1      PHE  10  15.988  23.484  28.623
  171    HD2  PHE  10           HD2      PHE  10  19.939  21.847  28.068
  172    HE1  PHE  10           HE1      PHE  10  16.683  24.418  30.795
  173    HE2  PHE  10           HE2      PHE  10  20.613  22.738  30.276
  174    HZ   PHE  10           HZ       PHE  10  18.996  24.047  31.637
  175    H    GLU  11           HN       GLU  11  15.329  24.375  27.048
  176    HA   GLU  11           HA       GLU  11  13.016  23.369  25.478
  177    HB2  GLU  11           HB2      GLU  11  11.601  23.943  27.168
  178    HB3  GLU  11           HB1      GLU  11  12.970  23.228  27.998
  179    HG2  GLU  11           HG2      GLU  11  12.417  26.234  27.781
  180    HG3  GLU  11           HG1      GLU  11  11.927  25.208  29.113
  181    H    VAL  12           HN       VAL  12  14.783  26.307  26.299
  182    HA   VAL  12           HA       VAL  12  13.628  27.855  24.091
  183    HB   VAL  12           HB       VAL  12  14.674  28.929  26.065
  184   HG11  VAL  12          HG11      VAL  12  17.080  28.892  26.458
  185   HG12  VAL  12          HG12      VAL  12  16.459  27.238  26.555
  186   HG13  VAL  12          HG13      VAL  12  17.315  27.779  25.103
  187   HG21  VAL  12          HG21      VAL  12  16.086  30.523  24.918
  188   HG22  VAL  12          HG22      VAL  12  16.303  29.432  23.550
  189   HG23  VAL  12          HG23      VAL  12  14.692  30.107  23.895
  190    H    ARG  13           HN       ARG  13  14.949  28.111  22.023
  191    HA   ARG  13           HA       ARG  13  16.269  25.665  21.200
  192    HB2  ARG  13           HB2      ARG  13  16.727  26.720  19.126
  193    HB3  ARG  13           HB1      ARG  13  15.068  26.988  19.591
  194    HG2  ARG  13           HG2      ARG  13  15.858  28.930  18.539
  195    HG3  ARG  13           HG1      ARG  13  15.658  29.324  20.241
  196    HD2  ARG  13           HD2      ARG  13  18.072  29.292  20.567
  197    HD3  ARG  13           HD1      ARG  13  18.332  28.581  18.962
  198    HE   ARG  13           HE       ARG  13  16.950  31.089  18.778
  199   HH11  ARG  13          HH11      ARG  13  20.235  29.773  19.254
  200   HH12  ARG  13          HH12      ARG  13  21.009  31.201  18.623
  201   HH21  ARG  13          HH21      ARG  13  18.020  32.947  18.029
  202   HH22  ARG  13          HH22      ARG  13  19.761  32.962  17.889
  203    H    HIS  14           HN       HIS  14  18.564  25.822  20.228
  204    HA   HIS  14           HA       HIS  14  20.274  25.857  22.385
  205    HB2  HIS  14           HB2      HIS  14  20.517  25.424  19.475
  206    HB3  HIS  14           HB1      HIS  14  21.984  26.087  20.187
  207    HD1  HIS  14           HD1      HIS  14  22.618  24.719  22.681
  208    HD2  HIS  14           HD2      HIS  14  20.377  22.817  19.689
  209    HE1  HIS  14           HE1      HIS  14  22.673  22.239  23.216
  210    H    GLN  15           HN       GLN  15  21.776  27.103  23.258
  211    HA   GLN  15           HA       GLN  15  22.356  29.781  22.126
  212    HB2  GLN  15           HB2      GLN  15  21.548  29.089  24.994
  213    HB3  GLN  15           HB1      GLN  15  22.261  30.622  24.521
  214    HG2  GLN  15           HG2      GLN  15  19.574  29.507  23.666
  215    HG3  GLN  15           HG1      GLN  15  19.850  30.871  24.721
  216   HE21  GLN  15          HE21      GLN  15  18.262  30.784  22.277
  217   HE22  GLN  15          HE22      GLN  15  18.958  31.940  21.166
  218    H    LYS  16           HN       LYS  16  24.467  29.935  21.855
  219    HA   LYS  16           HA       LYS  16  26.321  28.263  23.485
  220    HB2  LYS  16           HB2      LYS  16  26.267  27.749  21.067
  221    HB3  LYS  16           HB1      LYS  16  26.684  29.428  20.691
  222    HG2  LYS  16           HG2      LYS  16  28.855  29.191  21.791
  223    HG3  LYS  16           HG1      LYS  16  28.411  27.598  22.413
  224    HD2  LYS  16           HD2      LYS  16  28.274  26.756  20.052
  225    HD3  LYS  16           HD1      LYS  16  28.820  28.358  19.492
  226    HE2  LYS  16           HE2      LYS  16  30.890  28.123  20.813
  227    HE3  LYS  16           HE1      LYS  16  30.347  26.542  21.410
  228    HZ1  LYS  16           HZ1      LYS  16  31.875  26.326  19.593
  229    HZ2  LYS  16           HZ2      LYS  16  30.360  25.741  19.155
  230    HZ3  LYS  16           HZ3      LYS  16  30.878  27.239  18.593
  231    HN1  NH2  17           H2       NH2  17  28.314  30.971  24.548
  232    HN2  NH2  17           H1       NH2  17  28.145  29.233  24.406
  Start of MODEL   10
    1    H1   ACE   0           H1       ACE   0  33.551  12.537  22.092
    2    H2   ACE   0           H2       ACE   0  33.298  13.216  23.707
    3    H3   ACE   0           H3       ACE   0  33.645  11.478  23.516
    4    H    ASP   1           HN       ASP   1  31.697  12.297  20.994
    5    HA   ASP   1           HA       ASP   1  29.594  11.993  20.354
    6    HB2  ASP   1           HB2      ASP   1  29.294  10.357  22.906
    7    HB3  ASP   1           HB1      ASP   1  28.049  10.519  21.679
    8    H    ALA   2           HN       ALA   2  27.270  12.499  20.825
    9    HA   ALA   2           HA       ALA   2  26.647  14.275  23.039
   10    HB1  ALA   2           HB1      ALA   2  26.275  16.285  21.649
   11    HB2  ALA   2           HB2      ALA   2  27.981  15.799  21.599
   12    HB3  ALA   2           HB3      ALA   2  26.916  15.410  20.236
   13    H    GLU   3           HN       GLU   3  25.790  12.796  19.935
   14    HA   GLU   3           HA       GLU   3  23.083  13.700  19.918
   15    HB2  GLU   3           HB2      GLU   3  24.346  11.549  18.197
   16    HB3  GLU   3           HB1      GLU   3  22.853  12.437  17.897
   17    HG2  GLU   3           HG2      GLU   3  24.124  13.797  16.629
   18    HG3  GLU   3           HG1      GLU   3  24.586  14.551  18.141
   19    H    PHE   4           HN       PHE   4  24.361  11.395  21.909
   20    HA   PHE   4           HA       PHE   4  22.184   9.541  22.183
   21    HB2  PHE   4           HB2      PHE   4  23.057   9.444  24.561
   22    HB3  PHE   4           HB1      PHE   4  24.198   9.046  23.297
   23    HD1  PHE   4           HD1      PHE   4  23.148  12.018  25.410
   24    HD2  PHE   4           HD2      PHE   4  26.345   9.957  23.373
   25    HE1  PHE   4           HE1      PHE   4  24.765  13.679  26.261
   26    HE2  PHE   4           HE2      PHE   4  27.966  11.587  24.302
   27    HZ   PHE   4           HZ       PHE   4  27.187  13.461  25.714
   28    H    GLY   5           HN       GLY   5  22.436  12.959  22.720
   29    HA2  GLY   5           HA2      GLY   5  19.680  13.034  23.788
   30    HA3  GLY   5           HA1      GLY   5  20.969  13.892  24.653
   31    H    HIS   6           HN       HIS   6  21.963  14.130  21.486
   32    HA   HIS   6           HA       HIS   6  20.599  16.743  21.145
   33    HB2  HIS   6           HB2      HIS   6  22.961  17.000  21.365
   34    HB3  HIS   6           HB1      HIS   6  23.285  15.784  20.135
   35    HD2  HIS   6           HD2      HIS   6  22.897  16.428  17.554
   36    HE1  HIS   6           HE1      HIS   6  22.227  20.574  18.126
   37    HE2  HIS   6           HE2      HIS   6  22.660  18.757  16.410
   38    H    ASP   7           HN       ASP   7  18.896  16.578  20.025
   39    HA   ASP   7           HA       ASP   7  19.349  16.096  17.138
   40    HB2  ASP   7           HB2      ASP   7  16.971  16.285  16.793
   41    HB3  ASP   7           HB1      ASP   7  17.303  14.979  17.921
   42    H    SER   8           HN       SER   8  18.450  18.073  15.865
   43    HA   SER   8           HA       SER   8  20.467  19.816  16.363
   44    HB2  SER   8           HB2      SER   8  18.052  20.444  14.667
   45    HB3  SER   8           HB1      SER   8  19.649  21.188  14.564
   46    HG   SER   8           HG       SER   8  19.144  19.424  13.068
   47    H    GLY   9           HN       GLY   9  17.026  20.589  17.157
   48    HA2  GLY   9           HA2      GLY   9  16.251  21.836  18.870
   49    HA3  GLY   9           HA1      GLY   9  17.921  21.991  19.438
   50    H    PHE  10           HN       PHE  10  17.363  23.339  16.277
   51    HA   PHE  10           HA       PHE  10  18.372  25.847  17.204
   52    HB2  PHE  10           HB2      PHE  10  18.287  26.406  14.757
   53    HB3  PHE  10           HB1      PHE  10  19.197  24.980  15.207
   54    HD1  PHE  10           HD1      PHE  10  15.678  25.891  14.105
   55    HD2  PHE  10           HD2      PHE  10  18.920  23.065  13.938
   56    HE1  PHE  10           HE1      PHE  10  14.356  24.469  12.591
   57    HE2  PHE  10           HE2      PHE  10  17.591  21.633  12.413
   58    HZ   PHE  10           HZ       PHE  10  15.303  22.327  11.732
   59    H    GLU  11           HN       GLU  11  15.075  24.950  17.016
   60    HA   GLU  11           HA       GLU  11  14.150  27.562  17.686
   61    HB2  GLU  11           HB2      GLU  11  14.424  28.012  15.247
   62    HB3  GLU  11           HB1      GLU  11  13.424  26.602  14.881
   63    HG2  GLU  11           HG2      GLU  11  11.539  27.712  16.175
   64    HG3  GLU  11           HG1      GLU  11  12.577  29.122  16.387
   65    H    VAL  12           HN       VAL  12  12.921  24.721  15.827
   66    HA   VAL  12           HA       VAL  12  11.131  23.806  17.919
   67    HB   VAL  12           HB       VAL  12  10.937  22.935  15.632
   68   HG11  VAL  12          HG11      VAL  12  12.574  21.390  14.669
   69   HG12  VAL  12          HG12      VAL  12  13.334  22.969  14.952
   70   HG13  VAL  12          HG13      VAL  12  13.637  21.620  16.060
   71   HG21  VAL  12          HG21      VAL  12  10.784  20.549  16.172
   72   HG22  VAL  12          HG22      VAL  12  11.795  20.780  17.609
   73   HG23  VAL  12          HG23      VAL  12  10.190  21.537  17.519
   74    H    ARG  13           HN       ARG  13  11.772  22.900  19.833
   75    HA   ARG  13           HA       ARG  13  14.546  23.187  20.592
   76    HB2  ARG  13           HB2      ARG  13  12.200  21.931  22.082
   77    HB3  ARG  13           HB1      ARG  13  13.743  22.395  22.783
   78    HG2  ARG  13           HG2      ARG  13  11.572  24.231  21.726
   79    HG3  ARG  13           HG1      ARG  13  12.197  24.081  23.367
   80    HD2  ARG  13           HD2      ARG  13  14.479  24.840  22.300
   81    HD3  ARG  13           HD1      ARG  13  13.487  25.382  20.951
   82    HE   ARG  13           HE       ARG  13  13.339  26.326  23.789
   83   HH11  ARG  13          HH11      ARG  13  12.567  27.017  20.370
   84   HH12  ARG  13          HH12      ARG  13  12.095  28.663  20.731
   85   HH21  ARG  13          HH21      ARG  13  12.749  28.447  24.162
   86   HH22  ARG  13          HH22      ARG  13  12.217  29.471  22.846
   87    H    HIS  14           HN       HIS  14  15.460  21.298  22.035
   88    HA   HIS  14           HA       HIS  14  15.870  18.801  20.711
   89    HB2  HIS  14           HB2      HIS  14  15.980  19.788  23.583
   90    HB3  HIS  14           HB1      HIS  14  16.078  18.069  23.230
   91    HD1  HIS  14           HD1      HIS  14  18.501  17.490  23.637
   92    HD2  HIS  14           HD2      HIS  14  17.960  20.904  21.264
   93    HE1  HIS  14           HE1      HIS  14  20.803  18.173  22.828
   94    H    GLN  15           HN       GLN  15  14.370  17.276  20.270
   95    HA   GLN  15           HA       GLN  15  11.665  17.576  21.391
   96    HB2  GLN  15           HB2      GLN  15  12.749  15.824  19.152
   97    HB3  GLN  15           HB1      GLN  15  11.050  15.921  19.657
   98    HG2  GLN  15           HG2      GLN  15  11.060  18.377  19.182
   99    HG3  GLN  15           HG1      GLN  15  12.711  18.226  18.581
  100   HE21  GLN  15          HE21      GLN  15  12.962  16.374  16.819
  101   HE22  GLN  15          HE22      GLN  15  11.726  16.394  15.580
  102    H    LYS  16           HN       LYS  16  10.637  16.094  22.637
  103    HA   LYS  16           HA       LYS  16  11.905  13.575  23.387
  104    HB2  LYS  16           HB2      LYS  16  13.087  15.278  24.762
  105    HB3  LYS  16           HB1      LYS  16  11.552  15.786  25.470
  106    HG2  LYS  16           HG2      LYS  16  11.235  13.553  26.448
  107    HG3  LYS  16           HG1      LYS  16  12.662  12.947  25.585
  108    HD2  LYS  16           HD2      LYS  16  14.064  14.594  26.877
  109    HD3  LYS  16           HD1      LYS  16  12.622  14.993  27.839
  110    HE2  LYS  16           HE2      LYS  16  12.441  12.672  28.583
  111    HE3  LYS  16           HE1      LYS  16  13.759  12.182  27.500
  112    HZ1  LYS  16           HZ1      LYS  16  14.513  12.439  29.747
  113    HZ2  LYS  16           HZ2      LYS  16  15.248  13.574  28.748
  114    HZ3  LYS  16           HZ3      LYS  16  14.003  14.041  29.778
  115    HN1  NH2  17           H2       NH2  17   8.186  14.498  24.932
  116    HN2  NH2  17           H1       NH2  17   9.560  15.517  25.304
  117    H1   ACE   0           H1       ACE   0  29.414  11.944  14.887
  118    H2   ACE   0           H2       ACE   0  30.835  11.044  15.455
  119    H3   ACE   0           H3       ACE   0  29.216  10.674  16.102
  120    H    ASP   1           HN       ASP   1  28.912  13.822  15.927
  121    HA   ASP   1           HA       ASP   1  29.150  14.272  18.682
  122    HB2  ASP   1           HB2      ASP   1  31.662  14.629  17.573
  123    HB3  ASP   1           HB1      ASP   1  30.992  16.248  17.447
  124    H    ALA   2           HN       ALA   2  28.688  16.572  19.234
  125    HA   ALA   2           HA       ALA   2  27.566  18.337  17.206
  126    HB1  ALA   2           HB1      ALA   2  25.370  18.514  18.233
  127    HB2  ALA   2           HB2      ALA   2  25.646  16.850  17.684
  128    HB3  ALA   2           HB3      ALA   2  25.770  17.256  19.412
  129    H    GLU   3           HN       GLU   3  29.061  17.721  20.208
  130    HA   GLU   3           HA       GLU   3  28.163  19.763  21.889
  131    HB2  GLU   3           HB2      GLU   3  29.340  17.533  22.293
  132    HB3  GLU   3           HB1      GLU   3  30.850  18.384  22.034
  133    HG2  GLU   3           HG2      GLU   3  28.765  19.309  24.072
  134    HG3  GLU   3           HG1      GLU   3  29.877  17.998  24.437
  135    H    PHE   4           HN       PHE   4  30.361  20.039  19.227
  136    HA   PHE   4           HA       PHE   4  31.808  22.398  19.957
  137    HB2  PHE   4           HB2      PHE   4  32.078  22.585  17.492
  138    HB3  PHE   4           HB1      PHE   4  32.478  20.998  18.124
  139    HD1  PHE   4           HD1      PHE   4  30.033  22.925  16.088
  140    HD2  PHE   4           HD2      PHE   4  31.132  19.017  17.549
  141    HE1  PHE   4           HE1      PHE   4  28.452  21.873  14.493
  142    HE2  PHE   4           HE2      PHE   4  29.631  17.979  15.884
  143    HZ   PHE   4           HZ       PHE   4  28.251  19.396  14.387
  144    H    GLY   5           HN       GLY   5  28.526  21.841  18.860
  145    HA2  GLY   5           HA2      GLY   5  27.932  24.767  18.835
  146    HA3  GLY   5           HA1      GLY   5  27.191  23.579  17.731
  147    H    HIS   6           HN       HIS   6  27.544  21.928  20.601
  148    HA   HIS   6           HA       HIS   6  24.815  22.659  21.563
  149    HB2  HIS   6           HB2      HIS   6  24.761  20.456  20.568
  150    HB3  HIS   6           HB1      HIS   6  26.212  19.966  21.398
  151    HD2  HIS   6           HD2      HIS   6  26.087  19.526  24.092
  152    HE1  HIS   6           HE1      HIS   6  21.859  19.369  24.324
  153    HE2  HIS   6           HE2      HIS   6  24.026  18.939  25.574
  154    H    ASP   7           HN       ASP   7  24.897  23.733  23.346
  155    HA   ASP   7           HA       ASP   7  26.541  22.682  25.596
  156    HB2  ASP   7           HB2      ASP   7  26.277  24.852  26.679
  157    HB3  ASP   7           HB1      ASP   7  27.132  25.009  25.147
  158    H    SER   8           HN       SER   8  23.425  23.273  24.199
  159    HA   SER   8           HA       SER   8  21.956  21.613  25.936
  160    HB2  SER   8           HB2      SER   8  20.477  23.306  26.975
  161    HB3  SER   8           HB1      SER   8  22.119  23.333  27.613
  162    HG   SER   8           HG       SER   8  21.531  25.423  27.232
  163    H    GLY   9           HN       GLY   9  19.519  23.515  25.359
  164    HA2  GLY   9           HA2      GLY   9  18.757  24.234  23.027
  165    HA3  GLY   9           HA1      GLY   9  19.136  22.574  22.555
  166    H    PHE  10           HN       PHE  10  17.995  22.729  25.752
  167    HA   PHE  10           HA       PHE  10  15.460  21.487  25.228
  168    HB2  PHE  10           HB2      PHE  10  15.337  21.740  27.812
  169    HB3  PHE  10           HB1      PHE  10  16.453  20.654  27.043
  170    HD1  PHE  10           HD1      PHE  10  16.988  24.379  27.540
  171    HD2  PHE  10           HD2      PHE  10  18.116  20.361  28.616
  172    HE1  PHE  10           HE1      PHE  10  18.872  25.259  28.881
  173    HE2  PHE  10           HE2      PHE  10  20.032  21.247  29.905
  174    HZ   PHE  10           HZ       PHE  10  20.398  23.702  30.066
  175    H    GLU  11           HN       GLU  11  14.619  23.544  27.742
  176    HA   GLU  11           HA       GLU  11  12.599  24.658  26.105
  177    HB2  GLU  11           HB2      GLU  11  11.705  25.652  28.015
  178    HB3  GLU  11           HB1      GLU  11  12.331  24.088  28.493
  179    HG2  GLU  11           HG2      GLU  11  13.525  26.828  29.079
  180    HG3  GLU  11           HG1      GLU  11  12.787  25.716  30.228
  181    H    VAL  12           HN       VAL  12  15.724  26.032  27.027
  182    HA   VAL  12           HA       VAL  12  15.154  28.320  25.212
  183    HB   VAL  12           HB       VAL  12  16.369  28.963  27.191
  184   HG11  VAL  12          HG11      VAL  12  18.614  28.205  27.754
  185   HG12  VAL  12          HG12      VAL  12  17.483  26.851  27.825
  186   HG13  VAL  12          HG13      VAL  12  18.579  27.011  26.451
  187   HG21  VAL  12          HG21      VAL  12  18.374  29.976  26.117
  188   HG22  VAL  12          HG22      VAL  12  18.134  28.950  24.707
  189   HG23  VAL  12          HG23      VAL  12  16.897  30.149  25.151
  190    H    ARG  13           HN       ARG  13  15.846  28.244  23.127
  191    HA   ARG  13           HA       ARG  13  16.634  25.688  21.996
  192    HB2  ARG  13           HB2      ARG  13  16.566  26.895  19.858
  193    HB3  ARG  13           HB1      ARG  13  15.087  27.112  20.760
  194    HG2  ARG  13           HG2      ARG  13  15.500  29.382  21.196
  195    HG3  ARG  13           HG1      ARG  13  17.255  29.217  21.022
  196    HD2  ARG  13           HD2      ARG  13  16.970  28.737  18.617
  197    HD3  ARG  13           HD1      ARG  13  15.235  29.106  18.766
  198    HE   ARG  13           HE       ARG  13  16.452  31.325  19.809
  199   HH11  ARG  13          HH11      ARG  13  16.803  29.622  16.692
  200   HH12  ARG  13          HH12      ARG  13  17.329  31.061  15.850
  201   HH21  ARG  13          HH21      ARG  13  17.115  33.170  18.648
  202   HH22  ARG  13          HH22      ARG  13  17.520  33.049  16.955
  203    H    HIS  14           HN       HIS  14  18.426  25.440  20.486
  204    HA   HIS  14           HA       HIS  14  21.030  26.152  21.228
  205    HB2  HIS  14           HB2      HIS  14  19.681  25.274  18.701
  206    HB3  HIS  14           HB1      HIS  14  21.264  26.016  18.544
  207    HD1  HIS  14           HD1      HIS  14  23.254  24.473  18.879
  208    HD2  HIS  14           HD2      HIS  14  19.658  23.044  20.504
  209    HE1  HIS  14           HE1      HIS  14  23.701  22.091  19.634
  210    H    GLN  15           HN       GLN  15  22.183  27.885  21.149
  211    HA   GLN  15           HA       GLN  15  22.042  30.080  19.377
  212    HB2  GLN  15           HB2      GLN  15  21.134  31.808  20.782
  213    HB3  GLN  15           HB1      GLN  15  19.932  30.549  20.647
  214    HG2  GLN  15           HG2      GLN  15  19.822  31.130  22.897
  215    HG3  GLN  15           HG1      GLN  15  20.783  29.659  22.913
  216   HE21  GLN  15          HE21      GLN  15  22.122  29.931  24.672
  217   HE22  GLN  15          HE22      GLN  15  23.199  31.294  24.884
  218    H    LYS  16           HN       LYS  16  23.778  31.538  19.769
  219    HA   LYS  16           HA       LYS  16  25.457  31.312  22.087
  220    HB2  LYS  16           HB2      LYS  16  27.483  30.475  20.850
  221    HB3  LYS  16           HB1      LYS  16  26.266  29.283  21.274
  222    HG2  LYS  16           HG2      LYS  16  25.422  29.264  18.940
  223    HG3  LYS  16           HG1      LYS  16  26.637  30.470  18.492
  224    HD2  LYS  16           HD2      LYS  16  28.439  28.865  19.178
  225    HD3  LYS  16           HD1      LYS  16  27.190  27.679  19.590
  226    HE2  LYS  16           HE2      LYS  16  28.027  27.118  17.412
  227    HE3  LYS  16           HE1      LYS  16  26.388  27.763  17.213
  228    HZ1  LYS  16           HZ1      LYS  16  27.893  28.640  15.585
  229    HZ2  LYS  16           HZ2      LYS  16  27.349  29.869  16.596
  230    HZ3  LYS  16           HZ3      LYS  16  28.901  29.251  16.785
  231    HN1  NH2  17           H2       NH2  17  26.071  34.587  21.120
  232    HN2  NH2  17           H1       NH2  17  25.455  33.457  22.309
  Start of MODEL   11
    1    H1   ACE   0           H1       ACE   0  31.489  13.071  19.205
    2    H2   ACE   0           H2       ACE   0  33.044  13.327  20.022
    3    H3   ACE   0           H3       ACE   0  32.401  11.677  19.815
    4    H    ASP   1           HN       ASP   1  30.203  14.263  20.615
    5    HA   ASP   1           HA       ASP   1  29.512  13.166  23.198
    6    HB2  ASP   1           HB2      ASP   1  31.653  14.463  23.626
    7    HB3  ASP   1           HB1      ASP   1  30.829  15.910  23.087
    8    H    ALA   2           HN       ALA   2  27.583  13.841  23.865
    9    HA   ALA   2           HA       ALA   2  25.732  15.026  24.236
   10    HB1  ALA   2           HB1      ALA   2  25.021  16.997  23.149
   11    HB2  ALA   2           HB2      ALA   2  26.764  17.142  23.455
   12    HB3  ALA   2           HB3      ALA   2  26.160  16.797  21.829
   13    H    GLU   3           HN       GLU   3  26.430  13.226  21.420
   14    HA   GLU   3           HA       GLU   3  24.083  13.540  19.950
   15    HB2  GLU   3           HB2      GLU   3  25.814  11.037  20.040
   16    HB3  GLU   3           HB1      GLU   3  24.677  11.479  18.790
   17    HG2  GLU   3           HG2      GLU   3  26.670  12.124  17.825
   18    HG3  GLU   3           HG1      GLU   3  26.047  13.643  18.465
   19    H    PHE   4           HN       PHE   4  24.509  11.664  22.828
   20    HA   PHE   4           HA       PHE   4  22.570   9.652  22.573
   21    HB2  PHE   4           HB2      PHE   4  22.620   9.881  25.168
   22    HB3  PHE   4           HB1      PHE   4  24.066   9.414  24.295
   23    HD1  PHE   4           HD1      PHE   4  22.405  12.476  25.751
   24    HD2  PHE   4           HD2      PHE   4  26.090  10.560  24.581
   25    HE1  PHE   4           HE1      PHE   4  23.695  14.347  26.733
   26    HE2  PHE   4           HE2      PHE   4  27.373  12.430  25.570
   27    HZ   PHE   4           HZ       PHE   4  26.186  14.319  26.651
   28    H    GLY   5           HN       GLY   5  21.986  13.072  22.849
   29    HA2  GLY   5           HA2      GLY   5  19.105  12.486  22.781
   30    HA3  GLY   5           HA1      GLY   5  19.660  13.539  24.084
   31    H    HIS   6           HN       HIS   6  21.579  13.914  21.232
   32    HA   HIS   6           HA       HIS   6  20.380  16.571  20.870
   33    HB2  HIS   6           HB2      HIS   6  22.720  16.568  21.256
   34    HB3  HIS   6           HB1      HIS   6  22.999  15.385  19.976
   35    HD2  HIS   6           HD2      HIS   6  22.862  16.199  17.439
   36    HE1  HIS   6           HE1      HIS   6  22.859  20.358  18.203
   37    HE2  HIS   6           HE2      HIS   6  23.116  18.582  16.421
   38    H    ASP   7           HN       ASP   7  18.707  16.615  19.669
   39    HA   ASP   7           HA       ASP   7  19.289  16.312  16.777
   40    HB2  ASP   7           HB2      ASP   7  17.043  16.947  16.315
   41    HB3  ASP   7           HB1      ASP   7  16.944  15.658  17.502
   42    H    SER   8           HN       SER   8  18.696  18.558  15.708
   43    HA   SER   8           HA       SER   8  20.682  20.302  16.870
   44    HB2  SER   8           HB2      SER   8  19.111  20.299  14.284
   45    HB3  SER   8           HB1      SER   8  20.265  21.577  14.721
   46    HG   SER   8           HG       SER   8  21.050  19.582  13.531
   47    H    GLY   9           HN       GLY   9  17.162  20.438  16.825
   48    HA2  GLY   9           HA2      GLY   9  15.750  21.796  17.979
   49    HA3  GLY   9           HA1      GLY   9  17.101  21.787  19.118
   50    H    PHE  10           HN       PHE  10  16.778  23.512  15.982
   51    HA   PHE  10           HA       PHE  10  18.267  25.728  16.981
   52    HB2  PHE  10           HB2      PHE  10  17.815  26.497  14.531
   53    HB3  PHE  10           HB1      PHE  10  18.799  25.086  14.858
   54    HD1  PHE  10           HD1      PHE  10  15.203  25.989  14.113
   55    HD2  PHE  10           HD2      PHE  10  18.348  23.055  13.789
   56    HE1  PHE  10           HE1      PHE  10  13.668  24.473  12.892
   57    HE2  PHE  10           HE2      PHE  10  16.814  21.556  12.550
   58    HZ   PHE  10           HZ       PHE  10  14.474  22.247  12.115
   59    H    GLU  11           HN       GLU  11  14.819  25.377  16.994
   60    HA   GLU  11           HA       GLU  11  14.435  28.217  17.614
   61    HB2  GLU  11           HB2      GLU  11  14.399  28.256  15.167
   62    HB3  GLU  11           HB1      GLU  11  13.204  26.956  15.127
   63    HG2  GLU  11           HG2      GLU  11  11.557  28.410  16.247
   64    HG3  GLU  11           HG1      GLU  11  12.748  29.693  16.397
   65    H    VAL  12           HN       VAL  12  12.441  25.496  16.439
   66    HA   VAL  12           HA       VAL  12  11.128  24.940  18.973
   67    HB   VAL  12           HB       VAL  12  10.219  24.057  16.893
   68   HG11  VAL  12          HG11      VAL  12  11.283  22.369  15.508
   69   HG12  VAL  12          HG12      VAL  12  12.313  23.805  15.536
   70   HG13  VAL  12          HG13      VAL  12  12.740  22.379  16.506
   71   HG21  VAL  12          HG21      VAL  12   9.914  21.747  17.525
   72   HG22  VAL  12          HG22      VAL  12  11.363  21.782  18.550
   73   HG23  VAL  12          HG23      VAL  12   9.942  22.756  18.981
   74    H    ARG  13           HN       ARG  13  12.160  24.045  20.726
   75    HA   ARG  13           HA       ARG  13  15.029  23.744  20.680
   76    HB2  ARG  13           HB2      ARG  13  14.733  23.190  23.075
   77    HB3  ARG  13           HB1      ARG  13  14.096  24.732  22.553
   78    HG2  ARG  13           HG2      ARG  13  12.657  23.750  24.194
   79    HG3  ARG  13           HG1      ARG  13  11.802  23.928  22.666
   80    HD2  ARG  13           HD2      ARG  13  11.980  21.546  22.228
   81    HD3  ARG  13           HD1      ARG  13  13.047  21.322  23.626
   82    HE   ARG  13           HE       ARG  13  10.131  21.897  23.648
   83   HH11  ARG  13          HH11      ARG  13  13.036  21.105  25.568
   84   HH12  ARG  13          HH12      ARG  13  12.104  20.767  27.007
   85   HH21  ARG  13          HH21      ARG  13   8.993  21.480  25.555
   86   HH22  ARG  13          HH22      ARG  13   9.838  20.978  26.997
   87    H    HIS  14           HN       HIS  14  15.572  21.540  22.348
   88    HA   HIS  14           HA       HIS  14  15.845  19.458  20.512
   89    HB2  HIS  14           HB2      HIS  14  16.005  19.636  23.520
   90    HB3  HIS  14           HB1      HIS  14  15.938  18.048  22.779
   91    HD1  HIS  14           HD1      HIS  14  18.310  17.370  23.496
   92    HD2  HIS  14           HD2      HIS  14  18.088  20.726  20.983
   93    HE1  HIS  14           HE1      HIS  14  20.676  17.826  22.694
   94    H    GLN  15           HN       GLN  15  14.739  17.649  19.977
   95    HA   GLN  15           HA       GLN  15  12.088  17.068  21.210
   96    HB2  GLN  15           HB2      GLN  15  12.821  17.317  18.261
   97    HB3  GLN  15           HB1      GLN  15  11.361  16.497  18.848
   98    HG2  GLN  15           HG2      GLN  15  10.607  18.562  19.955
   99    HG3  GLN  15           HG1      GLN  15  12.036  19.413  19.367
  100   HE21  GLN  15          HE21      GLN  15  12.365  19.228  16.848
  101   HE22  GLN  15          HE22      GLN  15  10.915  19.482  15.904
  102    H    LYS  16           HN       LYS  16  12.512  15.238  22.242
  103    HA   LYS  16           HA       LYS  16  13.930  13.011  20.884
  104    HB2  LYS  16           HB2      LYS  16  15.384  12.705  22.776
  105    HB3  LYS  16           HB1      LYS  16  15.507  14.382  22.254
  106    HG2  LYS  16           HG2      LYS  16  13.851  14.979  24.102
  107    HG3  LYS  16           HG1      LYS  16  14.020  13.314  24.688
  108    HD2  LYS  16           HD2      LYS  16  16.423  13.619  25.017
  109    HD3  LYS  16           HD1      LYS  16  16.354  15.245  24.298
  110    HE2  LYS  16           HE2      LYS  16  14.927  16.048  26.090
  111    HE3  LYS  16           HE1      LYS  16  14.816  14.424  26.791
  112    HZ1  LYS  16           HZ1      LYS  16  16.416  15.772  27.932
  113    HZ2  LYS  16           HZ2      LYS  16  17.180  14.482  27.171
  114    HZ3  LYS  16           HZ3      LYS  16  17.277  16.026  26.510
  115    HN1  NH2  17           H2       NH2  17  10.655  12.385  23.122
  116    HN2  NH2  17           H1       NH2  17  11.108  13.948  22.475
  117    H1   ACE   0           H1       ACE   0  30.971  13.409  13.889
  118    H2   ACE   0           H2       ACE   0  29.900  12.070  14.347
  119    H3   ACE   0           H3       ACE   0  29.244  13.537  13.575
  120    H    ASP   1           HN       ASP   1  31.445  14.914  15.471
  121    HA   ASP   1           HA       ASP   1  30.314  14.770  18.096
  122    HB2  ASP   1           HB2      ASP   1  32.619  15.546  17.640
  123    HB3  ASP   1           HB1      ASP   1  31.968  16.979  16.835
  124    H    ALA   2           HN       ALA   2  28.928  16.224  19.138
  125    HA   ALA   2           HA       ALA   2  27.333  18.110  17.449
  126    HB1  ALA   2           HB1      ALA   2  25.489  17.623  19.053
  127    HB2  ALA   2           HB2      ALA   2  26.006  16.192  18.134
  128    HB3  ALA   2           HB3      ALA   2  26.510  16.369  19.797
  129    H    GLU   3           HN       GLU   3  29.095  17.561  20.471
  130    HA   GLU   3           HA       GLU   3  28.156  19.700  22.016
  131    HB2  GLU   3           HB2      GLU   3  29.252  17.630  22.722
  132    HB3  GLU   3           HB1      GLU   3  30.806  18.238  22.166
  133    HG2  GLU   3           HG2      GLU   3  29.039  19.603  24.262
  134    HG3  GLU   3           HG1      GLU   3  30.205  18.353  24.668
  135    H    PHE   4           HN       PHE   4  30.470  19.787  19.387
  136    HA   PHE   4           HA       PHE   4  31.898  22.149  19.920
  137    HB2  PHE   4           HB2      PHE   4  32.384  22.129  17.616
  138    HB3  PHE   4           HB1      PHE   4  32.153  20.448  18.036
  139    HD1  PHE   4           HD1      PHE   4  29.926  19.298  17.398
  140    HD2  PHE   4           HD2      PHE   4  31.030  23.217  15.983
  141    HE1  PHE   4           HE1      PHE   4  28.134  19.197  15.668
  142    HE2  PHE   4           HE2      PHE   4  29.255  23.087  14.262
  143    HZ   PHE   4           HZ       PHE   4  27.813  21.075  14.098
  144    H    GLY   5           HN       GLY   5  28.589  21.664  18.870
  145    HA2  GLY   5           HA2      GLY   5  28.018  24.583  18.883
  146    HA3  GLY   5           HA1      GLY   5  27.397  23.484  17.627
  147    H    HIS   6           HN       HIS   6  27.684  22.187  20.863
  148    HA   HIS   6           HA       HIS   6  24.832  22.719  21.494
  149    HB2  HIS   6           HB2      HIS   6  24.795  20.480  20.605
  150    HB3  HIS   6           HB1      HIS   6  26.230  20.033  21.477
  151    HD2  HIS   6           HD2      HIS   6  26.053  19.751  24.211
  152    HE1  HIS   6           HE1      HIS   6  21.900  18.920  24.160
  153    HE2  HIS   6           HE2      HIS   6  24.021  18.831  25.554
  154    H    ASP   7           HN       ASP   7  24.851  23.867  23.282
  155    HA   ASP   7           HA       ASP   7  26.543  22.955  25.561
  156    HB2  ASP   7           HB2      ASP   7  26.022  24.956  26.701
  157    HB3  ASP   7           HB1      ASP   7  26.587  25.419  25.101
  158    H    SER   8           HN       SER   8  23.264  23.526  24.295
  159    HA   SER   8           HA       SER   8  22.218  21.197  25.492
  160    HB2  SER   8           HB2      SER   8  20.583  22.093  27.007
  161    HB3  SER   8           HB1      SER   8  22.212  22.409  27.572
  162    HG   SER   8           HG       SER   8  21.043  24.256  27.858
  163    H    GLY   9           HN       GLY   9  20.442  24.279  24.927
  164    HA2  GLY   9           HA2      GLY   9  18.692  24.676  23.472
  165    HA3  GLY   9           HA1      GLY   9  19.117  23.229  22.515
  166    H    PHE  10           HN       PHE  10  18.464  23.746  25.968
  167    HA   PHE  10           HA       PHE  10  17.148  21.255  26.329
  168    HB2  PHE  10           HB2      PHE  10  18.740  22.573  27.843
  169    HB3  PHE  10           HB1      PHE  10  17.398  23.577  28.286
  170    HD1  PHE  10           HD1      PHE  10  18.605  20.030  28.148
  171    HD2  PHE  10           HD2      PHE  10  15.970  22.847  30.059
  172    HE1  PHE  10           HE1      PHE  10  18.041  18.340  29.875
  173    HE2  PHE  10           HE2      PHE  10  15.396  21.160  31.778
  174    HZ   PHE  10           HZ       PHE  10  16.411  18.888  31.665
  175    H    GLU  11           HN       GLU  11  15.535  23.769  28.135
  176    HA   GLU  11           HA       GLU  11  13.079  23.565  26.496
  177    HB2  GLU  11           HB2      GLU  11  11.884  24.485  28.224
  178    HB3  GLU  11           HB1      GLU  11  12.975  23.365  29.018
  179    HG2  GLU  11           HG2      GLU  11  13.340  26.402  28.898
  180    HG3  GLU  11           HG1      GLU  11  12.606  25.513  30.220
  181    H    VAL  12           HN       VAL  12  15.680  25.758  27.416
  182    HA   VAL  12           HA       VAL  12  15.180  27.868  25.531
  183    HB   VAL  12           HB       VAL  12  16.886  27.763  27.422
  184   HG11  VAL  12          HG11      VAL  12  19.056  26.720  27.043
  185   HG12  VAL  12          HG12      VAL  12  17.789  25.493  26.975
  186   HG13  VAL  12          HG13      VAL  12  18.532  26.087  25.475
  187   HG21  VAL  12          HG21      VAL  12  18.591  29.057  26.281
  188   HG22  VAL  12          HG22      VAL  12  18.019  28.503  24.701
  189   HG23  VAL  12          HG23      VAL  12  16.977  29.523  25.720
  190    H    ARG  13           HN       ARG  13  16.375  27.951  23.369
  191    HA   ARG  13           HA       ARG  13  16.579  25.252  22.096
  192    HB2  ARG  13           HB2      ARG  13  15.924  26.184  20.041
  193    HB3  ARG  13           HB1      ARG  13  14.726  26.651  21.218
  194    HG2  ARG  13           HG2      ARG  13  17.003  28.504  20.433
  195    HG3  ARG  13           HG1      ARG  13  15.580  28.357  19.435
  196    HD2  ARG  13           HD2      ARG  13  15.478  29.184  22.360
  197    HD3  ARG  13           HD1      ARG  13  15.570  30.301  20.994
  198    HE   ARG  13           HE       ARG  13  13.430  28.537  20.489
  199   HH11  ARG  13          HH11      ARG  13  14.239  31.117  22.792
  200   HH12  ARG  13          HH12      ARG  13  12.579  31.630  22.972
  201   HH21  ARG  13          HH21      ARG  13  11.289  29.228  20.741
  202   HH22  ARG  13          HH22      ARG  13  10.907  30.554  21.818
  203    H    HIS  14           HN       HIS  14  18.188  25.144  20.300
  204    HA   HIS  14           HA       HIS  14  20.818  26.138  20.905
  205    HB2  HIS  14           HB2      HIS  14  19.479  24.878  18.499
  206    HB3  HIS  14           HB1      HIS  14  21.028  25.662  18.304
  207    HD1  HIS  14           HD1      HIS  14  23.030  24.178  18.623
  208    HD2  HIS  14           HD2      HIS  14  19.553  22.770  20.502
  209    HE1  HIS  14           HE1      HIS  14  23.592  21.893  19.565
  210    H    GLN  15           HN       GLN  15  21.783  28.008  20.349
  211    HA   GLN  15           HA       GLN  15  20.483  29.917  18.494
  212    HB2  GLN  15           HB2      GLN  15  21.205  30.405  21.416
  213    HB3  GLN  15           HB1      GLN  15  21.019  31.713  20.257
  214    HG2  GLN  15           HG2      GLN  15  18.825  29.726  20.959
  215    HG3  GLN  15           HG1      GLN  15  18.998  31.326  21.651
  216   HE21  GLN  15          HE21      GLN  15  17.801  29.535  18.889
  217   HE22  GLN  15          HE22      GLN  15  17.222  30.915  17.990
  218    H    LYS  16           HN       LYS  16  21.885  31.574  17.783
  219    HA   LYS  16           HA       LYS  16  24.580  30.567  17.302
  220    HB2  LYS  16           HB2      LYS  16  22.993  32.947  16.254
  221    HB3  LYS  16           HB1      LYS  16  24.626  32.521  15.709
  222    HG2  LYS  16           HG2      LYS  16  23.880  30.356  14.911
  223    HG3  LYS  16           HG1      LYS  16  22.257  30.596  15.559
  224    HD2  LYS  16           HD2      LYS  16  22.066  32.636  14.019
  225    HD3  LYS  16           HD1      LYS  16  23.564  32.072  13.259
  226    HE2  LYS  16           HE2      LYS  16  20.978  30.477  13.496
  227    HE3  LYS  16           HE1      LYS  16  21.554  31.308  12.038
  228    HZ1  LYS  16           HZ1      LYS  16  22.075  28.982  11.999
  229    HZ2  LYS  16           HZ2      LYS  16  23.482  29.902  12.044
  230    HZ3  LYS  16           HZ3      LYS  16  22.948  29.115  13.430
  231    HN1  NH2  17           H2       NH2  17  26.594  32.855  19.074
  232    HN2  NH2  17           H1       NH2  17  26.506  31.530  17.930
  Start of MODEL   12
    1    H1   ACE   0           H1       ACE   0  33.364  15.885  21.471
    2    H2   ACE   0           H2       ACE   0  34.158  14.299  21.548
    3    H3   ACE   0           H3       ACE   0  33.914  15.102  19.970
    4    H    ASP   1           HN       ASP   1  31.280  15.577  22.049
    5    HA   ASP   1           HA       ASP   1  29.478  13.918  20.595
    6    HB2  ASP   1           HB2      ASP   1  30.842  12.243  22.086
    7    HB3  ASP   1           HB1      ASP   1  30.009  12.981  23.438
    8    H    ALA   2           HN       ALA   2  27.361  14.072  21.304
    9    HA   ALA   2           HA       ALA   2  26.445  15.637  23.560
   10    HB1  ALA   2           HB1      ALA   2  25.413  17.374  21.927
   11    HB2  ALA   2           HB2      ALA   2  27.139  17.546  22.321
   12    HB3  ALA   2           HB3      ALA   2  26.640  16.834  20.776
   13    H    GLU   3           HN       GLU   3  25.929  13.669  20.711
   14    HA   GLU   3           HA       GLU   3  23.202  14.245  20.352
   15    HB2  GLU   3           HB2      GLU   3  24.659  11.848  19.222
   16    HB3  GLU   3           HB1      GLU   3  23.186  12.608  18.629
   17    HG2  GLU   3           HG2      GLU   3  24.679  13.537  17.171
   18    HG3  GLU   3           HG1      GLU   3  24.714  14.774  18.426
   19    H    PHE   4           HN       PHE   4  24.487  12.269  22.756
   20    HA   PHE   4           HA       PHE   4  22.389  10.336  23.079
   21    HB2  PHE   4           HB2      PHE   4  23.223  10.391  25.476
   22    HB3  PHE   4           HB1      PHE   4  24.413  10.001  24.248
   23    HD1  PHE   4           HD1      PHE   4  23.307  12.654  26.628
   24    HD2  PHE   4           HD2      PHE   4  26.276  11.447  23.756
   25    HE1  PHE   4           HE1      PHE   4  24.813  14.451  27.423
   26    HE2  PHE   4           HE2      PHE   4  27.798  13.231  24.577
   27    HZ   PHE   4           HZ       PHE   4  27.081  14.717  26.414
   28    H    GLY   5           HN       GLY   5  22.688  13.781  23.800
   29    HA2  GLY   5           HA2      GLY   5  19.903  13.855  24.882
   30    HA3  GLY   5           HA1      GLY   5  21.215  14.949  25.375
   31    H    HIS   6           HN       HIS   6  21.790  14.586  22.143
   32    HA   HIS   6           HA       HIS   6  20.074  16.911  21.392
   33    HB2  HIS   6           HB2      HIS   6  22.374  17.596  21.609
   34    HB3  HIS   6           HB1      HIS   6  22.940  16.277  20.608
   35    HD2  HIS   6           HD2      HIS   6  22.064  16.331  17.912
   36    HE1  HIS   6           HE1      HIS   6  21.903  20.566  17.862
   37    HE2  HIS   6           HE2      HIS   6  21.934  18.465  16.417
   38    H    ASP   7           HN       ASP   7  18.672  16.525  19.938
   39    HA   ASP   7           HA       ASP   7  18.942  14.298  17.972
   40    HB2  ASP   7           HB2      ASP   7  16.569  14.142  18.144
   41    HB3  ASP   7           HB1      ASP   7  17.200  14.122  19.791
   42    H    SER   8           HN       SER   8  18.835  17.643  18.363
   43    HA   SER   8           HA       SER   8  18.744  18.653  15.777
   44    HB2  SER   8           HB2      SER   8  16.491  19.515  15.576
   45    HB3  SER   8           HB1      SER   8  16.412  17.767  15.701
   46    HG   SER   8           HG       SER   8  14.891  18.604  17.070
   47    H    GLY   9           HN       GLY   9  17.803  21.157  16.079
   48    HA2  GLY   9           HA2      GLY   9  17.591  22.508  18.373
   49    HA3  GLY   9           HA1      GLY   9  19.321  22.214  18.373
   50    H    PHE  10           HN       PHE  10  17.702  22.674  15.311
   51    HA   PHE  10           HA       PHE  10  19.365  25.071  14.829
   52    HB2  PHE  10           HB2      PHE  10  18.895  24.262  12.398
   53    HB3  PHE  10           HB1      PHE  10  19.996  23.362  13.418
   54    HD1  PHE  10           HD1      PHE  10  16.406  23.360  12.283
   55    HD2  PHE  10           HD2      PHE  10  19.724  21.051  13.791
   56    HE1  PHE  10           HE1      PHE  10  15.077  21.273  12.056
   57    HE2  PHE  10           HE2      PHE  10  18.405  18.975  13.502
   58    HZ   PHE  10           HZ       PHE  10  16.069  19.089  12.686
   59    H    GLU  11           HN       GLU  11  16.032  24.238  15.182
   60    HA   GLU  11           HA       GLU  11  15.077  26.883  14.632
   61    HB2  GLU  11           HB2      GLU  11  15.261  26.214  12.305
   62    HB3  GLU  11           HB1      GLU  11  14.420  24.687  12.618
   63    HG2  GLU  11           HG2      GLU  11  12.350  25.876  13.116
   64    HG3  GLU  11           HG1      GLU  11  13.173  27.438  13.010
   65    H    VAL  12           HN       VAL  12  13.950  23.452  14.527
   66    HA   VAL  12           HA       VAL  12  12.281  23.698  16.914
   67    HB   VAL  12           HB       VAL  12  11.945  21.816  15.378
   68   HG11  VAL  12          HG11      VAL  12  13.582  19.983  15.156
   69   HG12  VAL  12          HG12      VAL  12  14.237  21.495  14.509
   70   HG13  VAL  12          HG13      VAL  12  14.763  20.907  16.094
   71   HG21  VAL  12          HG21      VAL  12  11.902  20.015  17.003
   72   HG22  VAL  12          HG22      VAL  12  13.102  20.832  18.017
   73   HG23  VAL  12          HG23      VAL  12  11.482  21.535  17.813
   74    H    ARG  13           HN       ARG  13  13.065  23.560  19.059
   75    HA   ARG  13           HA       ARG  13  15.776  24.395  19.188
   76    HB2  ARG  13           HB2      ARG  13  15.397  24.928  21.498
   77    HB3  ARG  13           HB1      ARG  13  14.025  25.460  20.524
   78    HG2  ARG  13           HG2      ARG  13  12.665  23.602  21.287
   79    HG3  ARG  13           HG1      ARG  13  14.039  22.837  22.096
   80    HD2  ARG  13           HD2      ARG  13  14.250  24.737  23.644
   81    HD3  ARG  13           HD1      ARG  13  12.910  25.558  22.833
   82    HE   ARG  13           HE       ARG  13  12.769  23.238  24.642
   83   HH11  ARG  13          HH11      ARG  13  11.021  25.297  22.325
   84   HH12  ARG  13          HH12      ARG  13   9.451  24.775  22.883
   85   HH21  ARG  13          HH21      ARG  13  10.716  22.568  25.315
   86   HH22  ARG  13          HH22      ARG  13   9.280  23.244  24.573
   87    H    HIS  14           HN       HIS  14  14.524  21.419  19.330
   88    HA   HIS  14           HA       HIS  14  16.124  19.431  19.929
   89    HB2  HIS  14           HB2      HIS  14  15.624  20.916  22.525
   90    HB3  HIS  14           HB1      HIS  14  15.486  19.188  22.512
   91    HD1  HIS  14           HD1      HIS  14  17.483  18.661  24.026
   92    HD2  HIS  14           HD2      HIS  14  18.427  20.897  20.613
   93    HE1  HIS  14           HE1      HIS  14  20.014  18.708  23.874
   94    H    GLN  15           HN       GLN  15  14.743  17.613  20.175
   95    HA   GLN  15           HA       GLN  15  11.989  18.165  21.195
   96    HB2  GLN  15           HB2      GLN  15  12.833  15.816  19.472
   97    HB3  GLN  15           HB1      GLN  15  11.234  16.135  20.156
   98    HG2  GLN  15           HG2      GLN  15  11.314  18.391  18.881
   99    HG3  GLN  15           HG1      GLN  15  12.681  17.709  17.991
  100   HE21  GLN  15          HE21      GLN  15  12.209  16.422  16.213
  101   HE22  GLN  15          HE22      GLN  15  10.602  15.837  15.834
  102    H    LYS  16           HN       LYS  16  15.089  16.595  21.641
  103    HA   LYS  16           HA       LYS  16  14.169  15.041  23.934
  104    HB2  LYS  16           HB2      LYS  16  15.979  14.163  22.579
  105    HB3  LYS  16           HB1      LYS  16  16.935  15.627  22.797
  106    HG2  LYS  16           HG2      LYS  16  17.630  13.635  24.194
  107    HG3  LYS  16           HG1      LYS  16  17.372  15.129  25.094
  108    HD2  LYS  16           HD2      LYS  16  15.148  14.343  25.830
  109    HD3  LYS  16           HD1      LYS  16  15.363  12.841  24.903
  110    HE2  LYS  16           HE2      LYS  16  17.200  12.178  26.328
  111    HE3  LYS  16           HE1      LYS  16  17.244  13.772  27.110
  112    HZ1  LYS  16           HZ1      LYS  16  16.126  12.156  28.469
  113    HZ2  LYS  16           HZ2      LYS  16  15.055  13.360  27.985
  114    HZ3  LYS  16           HZ3      LYS  16  15.009  11.848  27.250
  115    HN1  NH2  17           H2       NH2  17  14.084  17.913  26.026
  116    HN2  NH2  17           H1       NH2  17  13.149  16.687  25.190
  117    H1   ACE   0           H1       ACE   0  28.972  12.601  13.389
  118    H2   ACE   0           H2       ACE   0  30.225  11.535  14.067
  119    H3   ACE   0           H3       ACE   0  28.513  11.279  14.482
  120    H    ASP   1           HN       ASP   1  28.194  14.330  14.626
  121    HA   ASP   1           HA       ASP   1  28.714  14.538  17.428
  122    HB2  ASP   1           HB2      ASP   1  30.904  15.267  15.970
  123    HB3  ASP   1           HB1      ASP   1  30.084  16.808  16.109
  124    H    ALA   2           HN       ALA   2  28.215  16.847  18.178
  125    HA   ALA   2           HA       ALA   2  26.545  18.556  16.538
  126    HB1  ALA   2           HB1      ALA   2  24.663  18.569  18.153
  127    HB2  ALA   2           HB2      ALA   2  24.820  17.024  17.292
  128    HB3  ALA   2           HB3      ALA   2  25.368  17.167  18.975
  129    H    GLU   3           HN       GLU   3  28.619  17.891  19.195
  130    HA   GLU   3           HA       GLU   3  28.083  19.926  21.018
  131    HB2  GLU   3           HB2      GLU   3  29.417  17.741  21.148
  132    HB3  GLU   3           HB1      GLU   3  30.793  18.637  20.527
  133    HG2  GLU   3           HG2      GLU   3  29.205  19.373  23.031
  134    HG3  GLU   3           HG1      GLU   3  30.599  18.302  23.055
  135    H    PHE   4           HN       PHE   4  29.847  20.133  17.976
  136    HA   PHE   4           HA       PHE   4  31.305  22.508  18.248
  137    HB2  PHE   4           HB2      PHE   4  30.773  22.781  15.796
  138    HB3  PHE   4           HB1      PHE   4  31.491  21.256  16.254
  139    HD1  PHE   4           HD1      PHE   4  28.163  22.834  15.409
  140    HD2  PHE   4           HD2      PHE   4  30.479  19.205  15.579
  141    HE1  PHE   4           HE1      PHE   4  26.313  21.580  14.357
  142    HE2  PHE   4           HE2      PHE   4  28.645  17.977  14.503
  143    HZ   PHE   4           HZ       PHE   4  26.549  19.153  13.877
  144    H    GLY   5           HN       GLY   5  27.813  22.036  18.050
  145    HA2  GLY   5           HA2      GLY   5  27.324  24.969  18.254
  146    HA3  GLY   5           HA1      GLY   5  26.362  23.866  17.255
  147    H    HIS   6           HN       HIS   6  27.202  22.210  20.087
  148    HA   HIS   6           HA       HIS   6  24.560  22.847  21.327
  149    HB2  HIS   6           HB2      HIS   6  24.405  20.733  20.183
  150    HB3  HIS   6           HB1      HIS   6  25.935  20.187  20.862
  151    HD2  HIS   6           HD2      HIS   6  26.035  19.385  23.388
  152    HE1  HIS   6           HE1      HIS   6  21.888  19.557  24.222
  153    HE2  HIS   6           HE2      HIS   6  24.144  18.778  25.086
  154    H    ASP   7           HN       ASP   7  24.508  23.239  23.411
  155    HA   ASP   7           HA       ASP   7  26.311  21.705  25.135
  156    HB2  ASP   7           HB2      ASP   7  26.649  23.406  26.740
  157    HB3  ASP   7           HB1      ASP   7  27.161  24.058  25.189
  158    H    SER   8           HN       SER   8  23.221  23.284  24.509
  159    HA   SER   8           HA       SER   8  21.771  21.294  26.109
  160    HB2  SER   8           HB2      SER   8  21.588  24.284  26.629
  161    HB3  SER   8           HB1      SER   8  20.456  23.091  27.272
  162    HG   SER   8           HG       SER   8  22.377  23.818  28.567
  163    H    GLY   9           HN       GLY   9  19.263  22.772  25.902
  164    HA2  GLY   9           HA2      GLY   9  18.442  24.031  23.751
  165    HA3  GLY   9           HA1      GLY   9  18.703  22.454  23.020
  166    H    PHE  10           HN       PHE  10  17.836  21.400  25.879
  167    HA   PHE  10           HA       PHE  10  15.412  20.352  25.085
  168    HB2  PHE  10           HB2      PHE  10  15.244  19.934  27.706
  169    HB3  PHE  10           HB1      PHE  10  16.408  19.110  26.696
  170    HD1  PHE  10           HD1      PHE  10  16.049  21.823  29.234
  171    HD2  PHE  10           HD2      PHE  10  18.776  19.453  26.876
  172    HE1  PHE  10           HE1      PHE  10  17.954  22.687  30.560
  173    HE2  PHE  10           HE2      PHE  10  20.671  20.314  28.216
  174    HZ   PHE  10           HZ       PHE  10  20.272  21.932  30.055
  175    H    GLU  11           HN       GLU  11  15.848  23.228  27.217
  176    HA   GLU  11           HA       GLU  11  13.025  23.967  26.799
  177    HB2  GLU  11           HB2      GLU  11  12.956  22.423  28.700
  178    HB3  GLU  11           HB1      GLU  11  14.195  23.356  29.540
  179    HG2  GLU  11           HG2      GLU  11  12.670  25.302  29.654
  180    HG3  GLU  11           HG1      GLU  11  11.464  24.430  28.700
  181    H    VAL  12           HN       VAL  12  16.132  24.794  28.514
  182    HA   VAL  12           HA       VAL  12  15.938  27.538  27.475
  183    HB   VAL  12           HB       VAL  12  17.448  27.041  29.367
  184   HG11  VAL  12          HG11      VAL  12  19.547  25.851  29.094
  185   HG12  VAL  12          HG12      VAL  12  18.215  24.748  28.714
  186   HG13  VAL  12          HG13      VAL  12  19.181  25.469  27.408
  187   HG21  VAL  12          HG21      VAL  12  19.357  28.313  28.509
  188   HG22  VAL  12          HG22      VAL  12  18.892  27.941  26.838
  189   HG23  VAL  12          HG23      VAL  12  17.838  28.945  27.849
  190    H    ARG  13           HN       ARG  13  16.299  28.015  25.348
  191    HA   ARG  13           HA       ARG  13  16.366  25.904  23.376
  192    HB2  ARG  13           HB2      ARG  13  16.539  28.934  23.293
  193    HB3  ARG  13           HB1      ARG  13  16.604  27.952  21.837
  194    HG2  ARG  13           HG2      ARG  13  14.381  28.846  22.163
  195    HG3  ARG  13           HG1      ARG  13  14.380  27.098  22.191
  196    HD2  ARG  13           HD2      ARG  13  13.997  27.047  24.568
  197    HD3  ARG  13           HD1      ARG  13  14.302  28.788  24.714
  198    HE   ARG  13           HE       ARG  13  12.275  29.010  23.135
  199   HH11  ARG  13          HH11      ARG  13  12.444  26.498  25.682
  200   HH12  ARG  13          HH12      ARG  13  10.709  26.477  25.882
  201   HH21  ARG  13          HH21      ARG  13  10.058  28.952  23.508
  202   HH22  ARG  13          HH22      ARG  13   9.387  27.837  24.676
  203    H    HIS  14           HN       HIS  14  18.122  26.248  21.419
  204    HA   HIS  14           HA       HIS  14  20.724  25.713  22.499
  205    HB2  HIS  14           HB2      HIS  14  19.827  26.406  19.677
  206    HB3  HIS  14           HB1      HIS  14  21.458  26.593  20.135
  207    HD1  HIS  14           HD1      HIS  14  22.672  24.762  18.938
  208    HD2  HIS  14           HD2      HIS  14  19.462  23.478  21.310
  209    HE1  HIS  14           HE1      HIS  14  22.890  22.240  19.127
  210    H    GLN  15           HN       GLN  15  22.105  26.986  23.337
  211    HA   GLN  15           HA       GLN  15  21.957  29.880  23.235
  212    HB2  GLN  15           HB2      GLN  15  24.008  27.972  24.459
  213    HB3  GLN  15           HB1      GLN  15  23.910  29.700  24.730
  214    HG2  GLN  15           HG2      GLN  15  22.830  29.053  26.597
  215    HG3  GLN  15           HG1      GLN  15  21.425  29.135  25.551
  216   HE21  GLN  15          HE21      GLN  15  21.756  27.606  28.024
  217   HE22  GLN  15          HE22      GLN  15  21.559  25.920  27.607
  218    H    LYS  16           HN       LYS  16  23.004  27.643  21.001
  219    HA   LYS  16           HA       LYS  16  25.261  29.176  19.904
  220    HB2  LYS  16           HB2      LYS  16  26.012  27.874  21.941
  221    HB3  LYS  16           HB1      LYS  16  25.521  26.396  21.120
  222    HG2  LYS  16           HG2      LYS  16  27.258  26.778  19.395
  223    HG3  LYS  16           HG1      LYS  16  27.629  28.354  20.102
  224    HD2  LYS  16           HD2      LYS  16  29.305  26.741  20.811
  225    HD3  LYS  16           HD1      LYS  16  28.329  27.231  22.207
  226    HE2  LYS  16           HE2      LYS  16  26.934  25.108  21.798
  227    HE3  LYS  16           HE1      LYS  16  28.184  24.627  20.637
  228    HZ1  LYS  16           HZ1      LYS  16  28.544  23.681  22.797
  229    HZ2  LYS  16           HZ2      LYS  16  29.791  24.741  22.408
  230    HZ3  LYS  16           HZ3      LYS  16  28.601  25.207  23.501
  231    HN1  NH2  17           H2       NH2  17  25.068  27.098  16.955
  232    HN2  NH2  17           H1       NH2  17  26.162  28.075  17.916
  Start of MODEL   13
    1    H1   ACE   0           H1       ACE   0  32.353  15.163  22.603
    2    H2   ACE   0           H2       ACE   0  33.108  14.496  24.066
    3    H3   ACE   0           H3       ACE   0  33.213  13.612  22.529
    4    H    ASP   1           HN       ASP   1  30.248  14.798  22.406
    5    HA   ASP   1           HA       ASP   1  28.572  13.157  21.908
    6    HB2  ASP   1           HB2      ASP   1  29.442  11.359  23.349
    7    HB3  ASP   1           HB1      ASP   1  28.891  12.258  24.779
    8    H    ALA   2           HN       ALA   2  26.512  13.787  21.995
    9    HA   ALA   2           HA       ALA   2  25.246  14.916  24.284
   10    HB1  ALA   2           HB1      ALA   2  24.516  17.044  23.331
   11    HB2  ALA   2           HB2      ALA   2  26.279  17.002  23.502
   12    HB3  ALA   2           HB3      ALA   2  25.533  16.785  21.910
   13    H    GLU   3           HN       GLU   3  25.206  13.313  21.274
   14    HA   GLU   3           HA       GLU   3  22.700  14.028  20.250
   15    HB2  GLU   3           HB2      GLU   3  24.130  11.433  19.651
   16    HB3  GLU   3           HB1      GLU   3  22.940  12.282  18.670
   17    HG2  GLU   3           HG2      GLU   3  24.819  12.932  17.565
   18    HG3  GLU   3           HG1      GLU   3  24.704  14.258  18.720
   19    H    PHE   4           HN       PHE   4  23.239  12.007  22.925
   20    HA   PHE   4           HA       PHE   4  21.090  10.188  22.854
   21    HB2  PHE   4           HB2      PHE   4  21.191  10.568  25.399
   22    HB3  PHE   4           HB1      PHE   4  22.607   9.945  24.580
   23    HD1  PHE   4           HD1      PHE   4  21.177  13.152  25.957
   24    HD2  PHE   4           HD2      PHE   4  24.700  10.987  24.791
   25    HE1  PHE   4           HE1      PHE   4  22.572  14.900  26.981
   26    HE2  PHE   4           HE2      PHE   4  26.117  12.733  25.852
   27    HZ   PHE   4           HZ       PHE   4  25.055  14.685  26.957
   28    H    GLY   5           HN       GLY   5  21.096  13.689  23.420
   29    HA2  GLY   5           HA2      GLY   5  18.106  13.687  23.269
   30    HA3  GLY   5           HA1      GLY   5  19.045  14.856  24.233
   31    H    HIS   6           HN       HIS   6  21.197  14.748  21.952
   32    HA   HIS   6           HA       HIS   6  20.017  17.047  20.679
   33    HB2  HIS   6           HB2      HIS   6  22.229  17.294  21.597
   34    HB3  HIS   6           HB1      HIS   6  22.869  16.054  20.536
   35    HD2  HIS   6           HD2      HIS   6  22.909  16.618  17.821
   36    HE1  HIS   6           HE1      HIS   6  22.948  20.820  18.370
   37    HE2  HIS   6           HE2      HIS   6  23.341  18.933  16.719
   38    H    ASP   7           HN       ASP   7  18.547  16.448  19.200
   39    HA   ASP   7           HA       ASP   7  19.416  15.102  16.741
   40    HB2  ASP   7           HB2      ASP   7  17.292  15.828  15.834
   41    HB3  ASP   7           HB1      ASP   7  17.098  14.923  17.330
   42    H    SER   8           HN       SER   8  18.154  18.452  17.183
   43    HA   SER   8           HA       SER   8  20.737  19.592  16.466
   44    HB2  SER   8           HB2      SER   8  19.853  20.945  14.622
   45    HB3  SER   8           HB1      SER   8  19.803  19.213  14.266
   46    HG   SER   8           HG       SER   8  17.890  20.124  13.649
   47    H    GLY   9           HN       GLY   9  17.242  20.539  16.798
   48    HA2  GLY   9           HA2      GLY   9  16.241  21.688  18.475
   49    HA3  GLY   9           HA1      GLY   9  17.783  21.776  19.350
   50    H    PHE  10           HN       PHE  10  17.327  23.056  16.044
   51    HA   PHE  10           HA       PHE  10  18.823  25.341  16.674
   52    HB2  PHE  10           HB2      PHE  10  18.156  26.016  14.293
   53    HB3  PHE  10           HB1      PHE  10  19.061  24.550  14.541
   54    HD1  PHE  10           HD1      PHE  10  15.499  25.713  14.110
   55    HD2  PHE  10           HD2      PHE  10  18.374  22.555  13.558
   56    HE1  PHE  10           HE1      PHE  10  13.768  24.331  12.994
   57    HE2  PHE  10           HE2      PHE  10  16.642  21.188  12.417
   58    HZ   PHE  10           HZ       PHE  10  14.343  22.055  12.161
   59    H    GLU  11           HN       GLU  11  15.315  25.091  16.892
   60    HA   GLU  11           HA       GLU  11  15.097  27.849  17.755
   61    HB2  GLU  11           HB2      GLU  11  15.155  28.283  15.368
   62    HB3  GLU  11           HB1      GLU  11  13.896  27.081  15.060
   63    HG2  GLU  11           HG2      GLU  11  12.243  28.404  16.220
   64    HG3  GLU  11           HG1      GLU  11  13.469  29.519  16.838
   65    H    VAL  12           HN       VAL  12  13.181  25.199  16.253
   66    HA   VAL  12           HA       VAL  12  11.634  24.773  18.697
   67    HB   VAL  12           HB       VAL  12  10.725  23.890  16.628
   68   HG11  VAL  12          HG11      VAL  12  11.723  22.099  15.334
   69   HG12  VAL  12          HG12      VAL  12  12.852  23.463  15.367
   70   HG13  VAL  12          HG13      VAL  12  13.123  22.045  16.408
   71   HG21  VAL  12          HG21      VAL  12  10.259  21.623  17.334
   72   HG22  VAL  12          HG22      VAL  12  11.660  21.632  18.425
   73   HG23  VAL  12          HG23      VAL  12  10.278  22.704  18.736
   74    H    ARG  13           HN       ARG  13  12.528  23.941  20.497
   75    HA   ARG  13           HA       ARG  13  15.342  23.488  20.735
   76    HB2  ARG  13           HB2      ARG  13  14.739  22.859  23.053
   77    HB3  ARG  13           HB1      ARG  13  14.116  24.413  22.534
   78    HG2  ARG  13           HG2      ARG  13  12.505  23.293  23.913
   79    HG3  ARG  13           HG1      ARG  13  11.853  23.488  22.289
   80    HD2  ARG  13           HD2      ARG  13  12.260  21.136  21.792
   81    HD3  ARG  13           HD1      ARG  13  13.109  20.910  23.326
   82    HE   ARG  13           HE       ARG  13  10.262  20.924  22.807
   83   HH11  ARG  13          HH11      ARG  13  12.638  21.502  25.409
   84   HH12  ARG  13          HH12      ARG  13  11.501  21.067  26.665
   85   HH21  ARG  13          HH21      ARG  13   8.884  20.302  24.476
   86   HH22  ARG  13          HH22      ARG  13   9.401  20.396  26.142
   87    H    HIS  14           HN       HIS  14  16.034  21.341  22.037
   88    HA   HIS  14           HA       HIS  14  16.351  19.221  20.352
   89    HB2  HIS  14           HB2      HIS  14  16.012  19.269  23.366
   90    HB3  HIS  14           HB1      HIS  14  16.383  17.795  22.498
   91    HD1  HIS  14           HD1      HIS  14  18.575  17.498  23.850
   92    HD2  HIS  14           HD2      HIS  14  18.412  20.858  21.346
   93    HE1  HIS  14           HE1      HIS  14  20.973  18.267  23.532
   94    H    GLN  15           HN       GLN  15  15.260  17.433  19.669
   95    HA   GLN  15           HA       GLN  15  12.767  16.584  21.024
   96    HB2  GLN  15           HB2      GLN  15  13.066  17.113  18.045
   97    HB3  GLN  15           HB1      GLN  15  11.750  16.183  18.762
   98    HG2  GLN  15           HG2      GLN  15  11.006  18.108  20.066
   99    HG3  GLN  15           HG1      GLN  15  12.321  19.083  19.420
  100   HE21  GLN  15          HE21      GLN  15  12.401  18.996  16.802
  101   HE22  GLN  15          HE22      GLN  15  10.848  19.321  16.075
  102    H    LYS  16           HN       LYS  16  12.256  14.447  20.725
  103    HA   LYS  16           HA       LYS  16  13.745  12.494  19.297
  104    HB2  LYS  16           HB2      LYS  16  14.768  11.316  21.217
  105    HB3  LYS  16           HB1      LYS  16  15.537  12.856  20.887
  106    HG2  LYS  16           HG2      LYS  16  14.631  13.893  22.785
  107    HG3  LYS  16           HG1      LYS  16  13.334  12.701  22.966
  108    HD2  LYS  16           HD2      LYS  16  14.967  10.980  23.618
  109    HD3  LYS  16           HD1      LYS  16  16.295  12.154  23.446
  110    HE2  LYS  16           HE2      LYS  16  15.372  13.540  25.209
  111    HE3  LYS  16           HE1      LYS  16  13.895  12.562  25.274
  112    HZ1  LYS  16           HZ1      LYS  16  15.384  12.021  27.054
  113    HZ2  LYS  16           HZ2      LYS  16  15.194  10.706  26.023
  114    HZ3  LYS  16           HZ3      LYS  16  16.603  11.623  25.966
  115    HN1  NH2  17           H2       NH2  17  10.171  12.009  20.902
  116    HN2  NH2  17           H1       NH2  17  10.947  13.538  20.558
  117    H1   ACE   0           H1       ACE   0  29.454  10.755  16.615
  118    H2   ACE   0           H2       ACE   0  31.212  10.639  16.831
  119    H3   ACE   0           H3       ACE   0  30.118   9.814  17.972
  120    H    ASP   1           HN       ASP   1  28.980  12.897  16.960
  121    HA   ASP   1           HA       ASP   1  29.266  14.036  19.550
  122    HB2  ASP   1           HB2      ASP   1  31.617  14.284  18.089
  123    HB3  ASP   1           HB1      ASP   1  30.794  15.782  17.708
  124    H    ALA   2           HN       ALA   2  28.921  16.474  19.414
  125    HA   ALA   2           HA       ALA   2  27.257  17.665  17.386
  126    HB1  ALA   2           HB1      ALA   2  25.326  17.885  19.090
  127    HB2  ALA   2           HB2      ALA   2  25.485  16.361  18.186
  128    HB3  ALA   2           HB3      ALA   2  26.036  16.454  19.866
  129    H    GLU   3           HN       GLU   3  29.060  17.629  20.351
  130    HA   GLU   3           HA       GLU   3  28.394  20.100  21.519
  131    HB2  GLU   3           HB2      GLU   3  30.871  18.381  21.752
  132    HB3  GLU   3           HB1      GLU   3  30.477  19.751  22.800
  133    HG2  GLU   3           HG2      GLU   3  28.318  18.632  23.413
  134    HG3  GLU   3           HG1      GLU   3  28.821  17.204  22.504
  135    H    PHE   4           HN       PHE   4  30.263  19.622  18.642
  136    HA   PHE   4           HA       PHE   4  31.875  21.981  18.639
  137    HB2  PHE   4           HB2      PHE   4  31.424  21.883  16.130
  138    HB3  PHE   4           HB1      PHE   4  32.181  20.495  16.828
  139    HD1  PHE   4           HD1      PHE   4  29.082  21.748  15.277
  140    HD2  PHE   4           HD2      PHE   4  31.059  18.312  16.974
  141    HE1  PHE   4           HE1      PHE   4  27.389  20.255  14.247
  142    HE2  PHE   4           HE2      PHE   4  29.385  16.828  15.901
  143    HZ   PHE   4           HZ       PHE   4  27.537  17.797  14.562
  144    H    GLY   5           HN       GLY   5  28.432  21.408  18.155
  145    HA2  GLY   5           HA2      GLY   5  27.858  24.299  18.360
  146    HA3  GLY   5           HA1      GLY   5  27.099  23.332  17.071
  147    H    HIS   6           HN       HIS   6  27.838  22.836  20.562
  148    HA   HIS   6           HA       HIS   6  25.108  22.931  21.372
  149    HB2  HIS   6           HB2      HIS   6  24.909  20.664  20.484
  150    HB3  HIS   6           HB1      HIS   6  26.405  20.183  21.221
  151    HD2  HIS   6           HD2      HIS   6  26.498  19.858  23.923
  152    HE1  HIS   6           HE1      HIS   6  22.304  19.652  24.477
  153    HE2  HIS   6           HE2      HIS   6  24.567  19.256  25.565
  154    H    ASP   7           HN       ASP   7  24.951  23.497  23.370
  155    HA   ASP   7           HA       ASP   7  26.786  22.351  25.372
  156    HB2  ASP   7           HB2      ASP   7  26.769  24.346  26.706
  157    HB3  ASP   7           HB1      ASP   7  27.434  24.748  25.126
  158    H    SER   8           HN       SER   8  23.622  23.559  24.371
  159    HA   SER   8           HA       SER   8  22.214  21.753  26.122
  160    HB2  SER   8           HB2      SER   8  20.934  23.445  27.337
  161    HB3  SER   8           HB1      SER   8  22.656  23.524  27.733
  162    HG   SER   8           HG       SER   8  21.866  25.588  27.421
  163    H    GLY   9           HN       GLY   9  20.078  24.231  25.535
  164    HA2  GLY   9           HA2      GLY   9  18.617  24.645  23.788
  165    HA3  GLY   9           HA1      GLY   9  19.472  23.483  22.752
  166    H    PHE  10           HN       PHE  10  18.582  22.489  26.024
  167    HA   PHE  10           HA       PHE  10  16.830  20.469  24.913
  168    HB2  PHE  10           HB2      PHE  10  16.663  20.060  27.593
  169    HB3  PHE  10           HB1      PHE  10  17.758  19.311  26.467
  170    HD1  PHE  10           HD1      PHE  10  17.580  22.263  28.749
  171    HD2  PHE  10           HD2      PHE  10  20.056  19.331  26.805
  172    HE1  PHE  10           HE1      PHE  10  19.497  22.964  30.148
  173    HE2  PHE  10           HE2      PHE  10  21.978  20.025  28.209
  174    HZ   PHE  10           HZ       PHE  10  21.700  21.817  29.898
  175    H    GLU  11           HN       GLU  11  16.151  22.785  27.688
  176    HA   GLU  11           HA       GLU  11  13.330  22.753  26.805
  177    HB2  GLU  11           HB2      GLU  11  12.669  23.651  28.797
  178    HB3  GLU  11           HB1      GLU  11  13.844  22.420  29.208
  179    HG2  GLU  11           HG2      GLU  11  14.333  25.439  29.229
  180    HG3  GLU  11           HG1      GLU  11  13.967  24.447  30.625
  181    H    VAL  12           HN       VAL  12  15.945  25.112  27.395
  182    HA   VAL  12           HA       VAL  12  14.892  27.197  25.696
  183    HB   VAL  12           HB       VAL  12  16.720  27.337  27.472
  184   HG11  VAL  12          HG11      VAL  12  19.006  26.789  26.917
  185   HG12  VAL  12          HG12      VAL  12  18.039  25.318  26.730
  186   HG13  VAL  12          HG13      VAL  12  18.552  26.238  25.303
  187   HG21  VAL  12          HG21      VAL  12  18.013  29.029  26.300
  188   HG22  VAL  12          HG22      VAL  12  17.403  28.469  24.735
  189   HG23  VAL  12          HG23      VAL  12  16.286  29.173  25.923
  190    H    ARG  13           HN       ARG  13  15.942  27.611  23.471
  191    HA   ARG  13           HA       ARG  13  16.523  25.067  22.020
  192    HB2  ARG  13           HB2      ARG  13  16.214  26.360  19.976
  193    HB3  ARG  13           HB1      ARG  13  14.771  26.271  20.957
  194    HG2  ARG  13           HG2      ARG  13  16.592  28.708  21.057
  195    HG3  ARG  13           HG1      ARG  13  15.401  28.478  19.786
  196    HD2  ARG  13           HD2      ARG  13  13.639  28.194  21.636
  197    HD3  ARG  13           HD1      ARG  13  14.858  28.841  22.742
  198    HE   ARG  13           HE       ARG  13  14.674  30.939  21.779
  199   HH11  ARG  13          HH11      ARG  13  12.737  28.647  19.831
  200   HH12  ARG  13          HH12      ARG  13  11.957  29.929  18.939
  201   HH21  ARG  13          HH21      ARG  13  13.629  32.536  20.562
  202   HH22  ARG  13          HH22      ARG  13  12.486  32.088  19.316
  203    H    HIS  14           HN       HIS  14  18.253  25.360  20.281
  204    HA   HIS  14           HA       HIS  14  20.720  26.602  21.245
  205    HB2  HIS  14           HB2      HIS  14  19.846  25.478  18.555
  206    HB3  HIS  14           HB1      HIS  14  21.400  26.257  18.825
  207    HD1  HIS  14           HD1      HIS  14  23.268  24.599  19.349
  208    HD2  HIS  14           HD2      HIS  14  19.450  23.274  20.501
  209    HE1  HIS  14           HE1      HIS  14  23.538  22.241  20.250
  210    H    GLN  15           HN       GLN  15  21.002  28.726  21.214
  211    HA   GLN  15           HA       GLN  15  19.153  30.422  19.618
  212    HB2  GLN  15           HB2      GLN  15  20.664  30.788  22.223
  213    HB3  GLN  15           HB1      GLN  15  19.897  32.128  21.362
  214    HG2  GLN  15           HG2      GLN  15  17.716  30.971  21.419
  215    HG3  GLN  15           HG1      GLN  15  18.445  29.611  22.265
  216   HE21  GLN  15          HE21      GLN  15  19.742  30.387  24.386
  217   HE22  GLN  15          HE22      GLN  15  18.775  31.429  25.406
  218    H    LYS  16           HN       LYS  16  22.281  29.258  19.307
  219    HA   LYS  16           HA       LYS  16  23.562  31.712  18.497
  220    HB2  LYS  16           HB2      LYS  16  25.475  30.392  18.011
  221    HB3  LYS  16           HB1      LYS  16  24.800  29.867  19.558
  222    HG2  LYS  16           HG2      LYS  16  23.756  27.924  18.414
  223    HG3  LYS  16           HG1      LYS  16  24.432  28.482  16.868
  224    HD2  LYS  16           HD2      LYS  16  26.726  28.294  17.770
  225    HD3  LYS  16           HD1      LYS  16  26.078  27.664  19.298
  226    HE2  LYS  16           HE2      LYS  16  25.641  26.418  16.552
  227    HE3  LYS  16           HE1      LYS  16  26.859  25.875  17.719
  228    HZ1  LYS  16           HZ1      LYS  16  24.871  24.558  17.834
  229    HZ2  LYS  16           HZ2      LYS  16  25.088  25.409  19.268
  230    HZ3  LYS  16           HZ3      LYS  16  23.939  25.920  18.152
  231    HN1  NH2  17           H2       NH2  17  23.598  31.612  14.938
  232    HN2  NH2  17           H1       NH2  17  24.468  32.143  16.361
  Start of MODEL   14
    1    H1   ACE   0           H1       ACE   0  30.655  13.907  17.069
    2    H2   ACE   0           H2       ACE   0  32.347  14.023  17.587
    3    H3   ACE   0           H3       ACE   0  31.613  12.426  17.282
    4    H    ASP   1           HN       ASP   1  29.956  15.083  18.938
    5    HA   ASP   1           HA       ASP   1  29.614  13.430  21.296
    6    HB2  ASP   1           HB2      ASP   1  31.858  14.746  21.517
    7    HB3  ASP   1           HB1      ASP   1  30.847  16.175  21.710
    8    H    ALA   2           HN       ALA   2  27.927  13.891  22.443
    9    HA   ALA   2           HA       ALA   2  26.265  14.929  23.481
   10    HB1  ALA   2           HB1      ALA   2  25.366  17.071  22.995
   11    HB2  ALA   2           HB2      ALA   2  27.135  17.169  23.030
   12    HB3  ALA   2           HB3      ALA   2  26.256  17.203  21.484
   13    H    GLU   3           HN       GLU   3  26.156  13.889  20.185
   14    HA   GLU   3           HA       GLU   3  23.427  14.252  19.601
   15    HB2  GLU   3           HB2      GLU   3  25.186  12.004  18.596
   16    HB3  GLU   3           HB1      GLU   3  23.667  12.564  17.909
   17    HG2  GLU   3           HG2      GLU   3  24.887  13.844  16.548
   18    HG3  GLU   3           HG1      GLU   3  25.115  14.920  17.921
   19    H    PHE   4           HN       PHE   4  24.730  12.050  21.950
   20    HA   PHE   4           HA       PHE   4  22.732  10.015  21.918
   21    HB2  PHE   4           HB2      PHE   4  23.386   9.759  24.329
   22    HB3  PHE   4           HB1      PHE   4  24.705   9.665  23.180
   23    HD1  PHE   4           HD2      PHE   4  23.209  11.719  25.883
   24    HD2  PHE   4           HD1      PHE   4  26.496  11.289  23.122
   25    HE1  PHE   4           HE2      PHE   4  24.505  13.410  27.154
   26    HE2  PHE   4           HE1      PHE   4  27.795  12.947  24.420
   27    HZ   PHE   4           HZ       PHE   4  26.807  14.025  26.418
   28    H    GLY   5           HN       GLY   5  22.776  13.294  23.307
   29    HA2  GLY   5           HA2      GLY   5  19.919  13.013  24.147
   30    HA3  GLY   5           HA1      GLY   5  21.130  14.055  24.932
   31    H    HIS   6           HN       HIS   6  21.281  13.905  21.436
   32    HA   HIS   6           HA       HIS   6  19.819  16.465  21.172
   33    HB2  HIS   6           HB2      HIS   6  22.079  17.168  21.587
   34    HB3  HIS   6           HB1      HIS   6  22.726  15.972  20.491
   35    HD2  HIS   6           HD2      HIS   6  22.534  16.342  17.856
   36    HE1  HIS   6           HE1      HIS   6  21.376  20.421  18.009
   37    HE2  HIS   6           HE2      HIS   6  22.204  18.543  16.497
   38    H    ASP   7           HN       ASP   7  18.848  16.822  19.422
   39    HA   ASP   7           HA       ASP   7  18.554  14.760  17.347
   40    HB2  ASP   7           HB2      ASP   7  16.480  16.128  16.875
   41    HB3  ASP   7           HB1      ASP   7  16.533  15.314  18.424
   42    H    SER   8           HN       SER   8  17.623  17.973  16.584
   43    HA   SER   8           HA       SER   8  20.056  18.623  15.049
   44    HB2  SER   8           HB2      SER   8  18.548  19.281  13.129
   45    HB3  SER   8           HB1      SER   8  18.721  17.545  13.412
   46    HG   SER   8           HG       SER   8  16.564  18.084  13.051
   47    H    GLY   9           HN       GLY   9  16.704  19.786  15.860
   48    HA2  GLY   9           HA2      GLY   9  16.238  21.401  17.418
   49    HA3  GLY   9           HA1      GLY   9  17.902  22.016  17.370
   50    H    PHE  10           HN       PHE  10  15.473  21.553  14.734
   51    HA   PHE  10           HA       PHE  10  16.372  23.918  13.451
   52    HB2  PHE  10           HB2      PHE  10  14.627  23.328  11.777
   53    HB3  PHE  10           HB1      PHE  10  15.805  22.082  12.125
   54    HD1  PHE  10           HD1      PHE  10  12.238  23.084  12.644
   55    HD2  PHE  10           HD2      PHE  10  15.177  19.965  13.037
   56    HE1  PHE  10           HE1      PHE  10  10.443  21.433  13.038
   57    HE2  PHE  10           HE2      PHE  10  13.379  18.317  13.473
   58    HZ   PHE  10           HZ       PHE  10  11.003  19.042  13.479
   59    H    GLU  11           HN       GLU  11  13.564  23.453  15.564
   60    HA   GLU  11           HA       GLU  11  13.151  26.297  15.685
   61    HB2  GLU  11           HB2      GLU  11  11.834  25.866  13.633
   62    HB3  GLU  11           HB1      GLU  11  10.877  24.643  14.482
   63    HG2  GLU  11           HG2      GLU  11   9.996  26.334  16.021
   64    HG3  GLU  11           HG1      GLU  11  11.088  27.561  15.365
   65    H    VAL  12           HN       VAL  12  11.338  23.222  16.195
   66    HA   VAL  12           HA       VAL  12  11.374  23.348  19.092
   67    HB   VAL  12           HB       VAL  12  10.019  21.665  18.015
   68   HG11  VAL  12          HG11      VAL  12  10.845  19.814  16.696
   69   HG12  VAL  12          HG12      VAL  12  11.330  21.319  15.907
   70   HG13  VAL  12          HG13      VAL  12  12.516  20.378  16.827
   71   HG21  VAL  12          HG21      VAL  12  10.754  19.715  19.270
   72   HG22  VAL  12          HG22      VAL  12  12.413  20.336  19.356
   73   HG23  VAL  12          HG23      VAL  12  11.106  21.178  20.207
   74    H    ARG  13           HN       ARG  13  13.187  23.381  20.309
   75    HA   ARG  13           HA       ARG  13  15.752  23.351  18.873
   76    HB2  ARG  13           HB2      ARG  13  14.979  24.201  21.693
   77    HB3  ARG  13           HB1      ARG  13  16.591  24.373  20.981
   78    HG2  ARG  13           HG2      ARG  13  14.031  25.710  19.995
   79    HG3  ARG  13           HG1      ARG  13  15.372  26.473  20.826
   80    HD2  ARG  13           HD2      ARG  13  16.836  25.631  18.835
   81    HD3  ARG  13           HD1      ARG  13  15.297  25.271  18.026
   82    HE   ARG  13           HE       ARG  13  15.253  27.934  19.018
   83   HH11  ARG  13          HH11      ARG  13  16.704  26.007  16.386
   84   HH12  ARG  13          HH12      ARG  13  16.845  27.391  15.328
   85   HH21  ARG  13          HH21      ARG  13  15.435  29.660  17.626
   86   HH22  ARG  13          HH22      ARG  13  16.145  29.463  16.040
   87    H    HIS  14           HN       HIS  14  14.219  21.611  21.583
   88    HA   HIS  14           HA       HIS  14  16.009  19.398  20.867
   89    HB2  HIS  14           HB2      HIS  14  15.772  20.533  23.610
   90    HB3  HIS  14           HB1      HIS  14  15.688  18.779  23.461
   91    HD1  HIS  14           HD1      HIS  14  17.917  17.541  23.321
   92    HD2  HIS  14           HD2      HIS  14  18.085  21.532  22.038
   93    HE1  HIS  14           HE1      HIS  14  20.320  17.997  22.636
   94    H    GLN  15           HN       GLN  15  14.900  17.927  20.096
   95    HA   GLN  15           HA       GLN  15  12.045  17.508  20.584
   96    HB2  GLN  15           HB2      GLN  15  14.075  16.083  18.804
   97    HB3  GLN  15           HB1      GLN  15  12.322  15.818  18.830
   98    HG2  GLN  15           HG2      GLN  15  11.913  18.118  18.118
   99    HG3  GLN  15           HG1      GLN  15  13.625  18.489  18.128
  100   HE21  GLN  15          HE21      GLN  15  15.034  17.418  16.513
  101   HE22  GLN  15          HE22      GLN  15  14.324  16.916  14.992
  102    H    LYS  16           HN       LYS  16  11.515  15.031  20.807
  103    HA   LYS  16           HA       LYS  16  11.905  14.631  23.507
  104    HB2  LYS  16           HB2      LYS  16  10.361  12.773  23.224
  105    HB3  LYS  16           HB1      LYS  16   9.874  14.156  22.249
  106    HG2  LYS  16           HG2      LYS  16  10.764  13.097  20.207
  107    HG3  LYS  16           HG1      LYS  16  11.404  11.748  21.166
  108    HD2  LYS  16           HD2      LYS  16   9.056  11.236  21.908
  109    HD3  LYS  16           HD1      LYS  16   8.471  12.515  20.836
  110    HE2  LYS  16           HE2      LYS  16   8.219  10.413  19.689
  111    HE3  LYS  16           HE1      LYS  16   9.513  11.331  18.904
  112    HZ1  LYS  16           HZ1      LYS  16  10.099   9.037  19.185
  113    HZ2  LYS  16           HZ2      LYS  16  11.114  10.016  20.102
  114    HZ3  LYS  16           HZ3      LYS  16   9.885   9.146  20.850
  115    HN1  NH2  17           H2       NH2  17  15.005  12.421  22.577
  116    HN2  NH2  17           H1       NH2  17  14.493  13.882  21.762
  117    H1   ACE   0           H1       ACE   0  26.501  14.238  12.642
  118    H2   ACE   0           H2       ACE   0  25.939  15.713  11.832
  119    H3   ACE   0           H3       ACE   0  27.495  14.979  11.363
  120    H    ASP   1           HN       ASP   1  27.550  14.477  14.515
  121    HA   ASP   1           HA       ASP   1  28.479  15.327  16.346
  122    HB2  ASP   1           HB2      ASP   1  30.305  16.051  14.804
  123    HB3  ASP   1           HB1      ASP   1  29.563  17.641  14.706
  124    H    ALA   2           HN       ALA   2  28.338  17.475  17.818
  125    HA   ALA   2           HA       ALA   2  26.103  19.222  17.151
  126    HB1  ALA   2           HB1      ALA   2  24.770  18.563  19.163
  127    HB2  ALA   2           HB2      ALA   2  24.849  17.312  17.907
  128    HB3  ALA   2           HB3      ALA   2  25.839  17.150  19.357
  129    H    GLU   3           HN       GLU   3  28.579  18.209  19.557
  130    HA   GLU   3           HA       GLU   3  28.070  20.332  21.347
  131    HB2  GLU   3           HB2      GLU   3  29.096  18.161  21.898
  132    HB3  GLU   3           HB1      GLU   3  30.596  18.673  21.115
  133    HG2  GLU   3           HG2      GLU   3  30.994  20.350  22.769
  134    HG3  GLU   3           HG1      GLU   3  29.320  20.318  23.327
  135    H    PHE   4           HN       PHE   4  29.506  20.664  18.303
  136    HA   PHE   4           HA       PHE   4  31.251  22.871  18.688
  137    HB2  PHE   4           HB2      PHE   4  30.516  23.471  16.367
  138    HB3  PHE   4           HB1      PHE   4  31.124  21.841  16.563
  139    HD1  PHE   4           HD1      PHE   4  27.876  23.762  16.399
  140    HD2  PHE   4           HD2      PHE   4  29.889  20.015  15.728
  141    HE1  PHE   4           HE1      PHE   4  25.840  22.847  15.331
  142    HE2  PHE   4           HE2      PHE   4  27.856  19.140  14.617
  143    HZ   PHE   4           HZ       PHE   4  25.818  20.530  14.448
  144    H    GLY   5           HN       GLY   5  27.776  22.621  19.155
  145    HA2  GLY   5           HA2      GLY   5  27.781  25.366  20.190
  146    HA3  GLY   5           HA1      GLY   5  26.599  25.000  18.923
  147    H    HIS   6           HN       HIS   6  26.706  22.075  20.375
  148    HA   HIS   6           HA       HIS   6  24.367  22.563  22.035
  149    HB2  HIS   6           HB2      HIS   6  24.518  20.476  20.759
  150    HB3  HIS   6           HB1      HIS   6  25.999  20.035  21.583
  151    HD2  HIS   6           HD2      HIS   6  25.809  19.467  24.298
  152    HE1  HIS   6           HE1      HIS   6  21.667  18.605  24.204
  153    HE2  HIS   6           HE2      HIS   6  23.799  18.419  25.569
  154    H    ASP   7           HN       ASP   7  24.744  23.709  23.798
  155    HA   ASP   7           HA       ASP   7  26.510  22.523  25.876
  156    HB2  ASP   7           HB2      ASP   7  25.891  24.366  27.258
  157    HB3  ASP   7           HB1      ASP   7  26.402  25.031  25.709
  158    H    SER   8           HN       SER   8  23.162  23.317  24.973
  159    HA   SER   8           HA       SER   8  22.028  20.863  25.951
  160    HB2  SER   8           HB2      SER   8  22.251  22.174  28.038
  161    HB3  SER   8           HB1      SER   8  21.272  23.473  27.330
  162    HG   SER   8           HG       SER   8  20.185  21.797  28.665
  163    H    GLY   9           HN       GLY   9  19.592  23.104  26.055
  164    HA2  GLY   9           HA2      GLY   9  18.955  24.509  24.096
  165    HA3  GLY   9           HA1      GLY   9  19.062  23.062  23.115
  166    H    PHE  10           HN       PHE  10  17.736  22.940  26.433
  167    HA   PHE  10           HA       PHE  10  15.412  21.608  25.436
  168    HB2  PHE  10           HB2      PHE  10  14.879  21.389  27.886
  169    HB3  PHE  10           HB1      PHE  10  16.392  20.726  27.316
  170    HD1  PHE  10           HD1      PHE  10  15.502  24.264  28.431
  171    HD2  PHE  10           HD2      PHE  10  17.857  20.723  29.107
  172    HE1  PHE  10           HE1      PHE  10  16.806  25.470  30.112
  173    HE2  PHE  10           HE2      PHE  10  19.110  21.912  30.878
  174    HZ   PHE  10           HZ       PHE  10  18.632  24.309  31.350
  175    H    GLU  11           HN       GLU  11  15.778  24.964  25.822
  176    HA   GLU  11           HA       GLU  11  13.005  25.557  25.413
  177    HB2  GLU  11           HB2      GLU  11  12.804  25.047  27.804
  178    HB3  GLU  11           HB1      GLU  11  14.140  26.137  28.189
  179    HG2  GLU  11           HG2      GLU  11  12.776  28.054  27.359
  180    HG3  GLU  11           HG1      GLU  11  11.458  26.937  26.976
  181    H    VAL  12           HN       VAL  12  15.547  27.307  27.281
  182    HA   VAL  12           HA       VAL  12  16.252  29.187  25.215
  183    HB   VAL  12           HB       VAL  12  17.003  29.476  27.527
  184   HG11  VAL  12          HG11      VAL  12  18.729  28.144  28.583
  185   HG12  VAL  12          HG12      VAL  12  17.374  27.084  28.178
  186   HG13  VAL  12          HG13      VAL  12  18.848  27.070  27.184
  187   HG21  VAL  12          HG21      VAL  12  19.372  30.015  27.066
  188   HG22  VAL  12          HG22      VAL  12  19.324  29.030  25.599
  189   HG23  VAL  12          HG23      VAL  12  18.321  30.489  25.718
  190    H    ARG  13           HN       ARG  13  17.338  28.787  23.334
  191    HA   ARG  13           HA       ARG  13  17.732  26.050  22.528
  192    HB2  ARG  13           HB2      ARG  13  17.986  26.824  20.400
  193    HB3  ARG  13           HB1      ARG  13  16.893  27.995  21.122
  194    HG2  ARG  13           HG2      ARG  13  19.805  28.401  20.387
  195    HG3  ARG  13           HG1      ARG  13  18.378  29.087  19.646
  196    HD2  ARG  13           HD2      ARG  13  17.898  30.319  21.785
  197    HD3  ARG  13           HD1      ARG  13  19.400  29.681  22.458
  198    HE   ARG  13           HE       ARG  13  20.584  31.236  21.290
  199   HH11  ARG  13          HH11      ARG  13  17.377  31.039  19.724
  200   HH12  ARG  13          HH12      ARG  13  17.755  32.316  18.587
  201   HH21  ARG  13          HH21      ARG  13  20.990  32.895  19.816
  202   HH22  ARG  13          HH22      ARG  13  19.776  33.350  18.638
  203    H    HIS  14           HN       HIS  14  20.037  26.106  20.930
  204    HA   HIS  14           HA       HIS  14  22.224  25.605  22.679
  205    HB2  HIS  14           HB2      HIS  14  21.996  26.286  19.734
  206    HB3  HIS  14           HB1      HIS  14  23.546  26.045  20.518
  207    HD1  HIS  14           HD1      HIS  14  23.889  23.929  18.865
  208    HD2  HIS  14           HD2      HIS  14  20.814  23.640  21.707
  209    HE1  HIS  14           HE1      HIS  14  23.279  21.468  19.022
  210    H    GLN  15           HN       GLN  15  23.295  26.943  23.884
  211    HA   GLN  15           HA       GLN  15  23.314  29.854  23.448
  212    HB2  GLN  15           HB2      GLN  15  24.194  28.025  25.716
  213    HB3  GLN  15           HB1      GLN  15  24.499  29.761  25.711
  214    HG2  GLN  15           HG2      GLN  15  22.144  30.287  25.679
  215    HG3  GLN  15           HG1      GLN  15  21.704  28.610  25.384
  216   HE21  GLN  15          HE21      GLN  15  21.556  27.149  27.095
  217   HE22  GLN  15          HE22      GLN  15  21.701  27.661  28.768
  218    H    LYS  16           HN       LYS  16  25.340  27.050  22.962
  219    HA   LYS  16           HA       LYS  16  27.407  26.741  22.192
  220    HB2  LYS  16           HB2      LYS  16  27.779  27.808  20.026
  221    HB3  LYS  16           HB1      LYS  16  26.144  27.211  20.263
  222    HG2  LYS  16           HG2      LYS  16  25.332  29.518  20.663
  223    HG3  LYS  16           HG1      LYS  16  26.972  30.136  20.460
  224    HD2  LYS  16           HD2      LYS  16  25.525  30.416  18.462
  225    HD3  LYS  16           HD1      LYS  16  26.978  29.475  18.118
  226    HE2  LYS  16           HE2      LYS  16  24.887  28.647  17.036
  227    HE3  LYS  16           HE1      LYS  16  25.686  27.425  18.041
  228    HZ1  LYS  16           HZ1      LYS  16  23.329  27.444  18.379
  229    HZ2  LYS  16           HZ2      LYS  16  24.107  27.937  19.786
  230    HZ3  LYS  16           HZ3      LYS  16  23.354  29.072  18.800
  231    HN1  NH2  17           H2       NH2  17  29.136  29.206  24.400
  232    HN2  NH2  17           H1       NH2  17  27.679  28.248  24.566
  Start of MODEL   15
    1    H1   ACE   0           H1       ACE   0  32.202  17.761  25.348
    2    H2   ACE   0           H2       ACE   0  33.490  16.546  25.464
    3    H3   ACE   0           H3       ACE   0  32.964  17.146  23.868
    4    H    ASP   1           HN       ASP   1  30.088  17.121  24.887
    5    HA   ASP   1           HA       ASP   1  29.419  14.470  23.971
    6    HB2  ASP   1           HB2      ASP   1  29.990  14.114  26.429
    7    HB3  ASP   1           HB1      ASP   1  28.651  15.183  26.833
    8    H    ALA   2           HN       ALA   2  27.252  14.309  23.347
    9    HA   ALA   2           HA       ALA   2  25.278  16.353  23.863
   10    HB1  ALA   2           HB1      ALA   2  25.222  17.284  21.557
   11    HB2  ALA   2           HB2      ALA   2  26.770  17.650  22.345
   12    HB3  ALA   2           HB3      ALA   2  26.675  16.363  21.144
   13    H    GLU   3           HN       GLU   3  26.433  13.919  21.499
   14    HA   GLU   3           HA       GLU   3  23.953  13.899  20.160
   15    HB2  GLU   3           HB2      GLU   3  26.487  12.270  19.865
   16    HB3  GLU   3           HB1      GLU   3  25.115  12.158  18.744
   17    HG2  GLU   3           HG2      GLU   3  25.272  14.513  18.174
   18    HG3  GLU   3           HG1      GLU   3  26.510  14.785  19.404
   19    H    PHE   4           HN       PHE   4  24.720  12.066  22.914
   20    HA   PHE   4           HA       PHE   4  23.140   9.737  22.566
   21    HB2  PHE   4           HB2      PHE   4  22.823   9.906  24.989
   22    HB3  PHE   4           HB1      PHE   4  24.505  10.183  24.556
   23    HD1  PHE   4           HD2      PHE   4  25.471  12.502  24.707
   24    HD2  PHE   4           HD1      PHE   4  21.461  11.628  26.022
   25    HE1  PHE   4           HE2      PHE   4  25.378  14.683  25.885
   26    HE2  PHE   4           HE1      PHE   4  21.363  13.820  27.174
   27    HZ   PHE   4           HZ       PHE   4  23.320  15.355  27.103
   28    H    GLY   5           HN       GLY   5  22.267  13.150  23.183
   29    HA2  GLY   5           HA2      GLY   5  19.368  12.522  22.837
   30    HA3  GLY   5           HA1      GLY   5  20.017  13.580  24.110
   31    H    HIS   6           HN       HIS   6  21.949  14.269  21.477
   32    HA   HIS   6           HA       HIS   6  20.371  16.630  20.771
   33    HB2  HIS   6           HB2      HIS   6  22.766  16.917  21.069
   34    HB3  HIS   6           HB1      HIS   6  23.089  15.762  19.772
   35    HD2  HIS   6           HD2      HIS   6  22.750  16.537  17.269
   36    HE1  HIS   6           HE1      HIS   6  21.600  20.550  17.989
   37    HE2  HIS   6           HE2      HIS   6  22.267  18.864  16.202
   38    H    ASP   7           HN       ASP   7  18.618  15.963  19.908
   39    HA   ASP   7           HA       ASP   7  18.394  14.448  17.442
   40    HB2  ASP   7           HB2      ASP   7  16.068  15.062  17.617
   41    HB3  ASP   7           HB1      ASP   7  16.631  14.528  19.189
   42    H    SER   8           HN       SER   8  16.641  16.264  16.060
   43    HA   SER   8           HA       SER   8  18.555  18.158  14.892
   44    HB2  SER   8           HB2      SER   8  16.764  18.525  13.230
   45    HB3  SER   8           HB1      SER   8  17.231  16.823  13.385
   46    HG   SER   8           HG       SER   8  14.943  17.209  13.364
   47    H    GLY   9           HN       GLY   9  17.466  18.447  17.680
   48    HA2  GLY   9           HA2      GLY   9  15.888  20.879  17.727
   49    HA3  GLY   9           HA1      GLY   9  16.610  20.002  19.098
   50    H    PHE  10           HN       PHE  10  17.995  21.469  16.141
   51    HA   PHE  10           HA       PHE  10  20.170  22.667  17.712
   52    HB2  PHE  10           HB2      PHE  10  21.050  23.044  15.316
   53    HB3  PHE  10           HB1      PHE  10  21.071  21.448  16.028
   54    HD1  PHE  10           HD1      PHE  10  18.518  23.447  14.037
   55    HD2  PHE  10           HD2      PHE  10  20.726  19.763  14.485
   56    HE1  PHE  10           HE1      PHE  10  17.430  22.542  12.019
   57    HE2  PHE  10           HE2      PHE  10  19.632  18.871  12.453
   58    HZ   PHE  10           HZ       PHE  10  17.989  20.258  11.212
   59    H    GLU  11           HN       GLU  11  17.214  23.811  16.415
   60    HA   GLU  11           HA       GLU  11  18.030  26.562  16.994
   61    HB2  GLU  11           HB2      GLU  11  18.500  26.382  14.571
   62    HB3  GLU  11           HB1      GLU  11  16.839  25.833  14.281
   63    HG2  GLU  11           HG2      GLU  11  16.000  28.013  15.213
   64    HG3  GLU  11           HG1      GLU  11  17.672  28.529  15.452
   65    H    VAL  12           HN       VAL  12  15.383  24.495  15.657
   66    HA   VAL  12           HA       VAL  12  13.430  25.381  17.623
   67    HB   VAL  12           HB       VAL  12  12.947  24.034  15.516
   68   HG11  VAL  12          HG11      VAL  12  13.208  21.655  15.476
   69   HG12  VAL  12          HG12      VAL  12  14.806  22.337  15.826
   70   HG13  VAL  12          HG13      VAL  12  13.837  21.616  17.130
   71   HG21  VAL  12          HG21      VAL  12  11.169  22.705  16.557
   72   HG22  VAL  12          HG22      VAL  12  11.926  22.891  18.151
   73   HG23  VAL  12          HG23      VAL  12  11.278  24.309  17.294
   74    H    ARG  13           HN       ARG  13  13.234  24.528  19.772
   75    HA   ARG  13           HA       ARG  13  15.711  23.705  20.972
   76    HB2  ARG  13           HB2      ARG  13  14.460  23.667  23.052
   77    HB3  ARG  13           HB1      ARG  13  14.128  25.103  22.117
   78    HG2  ARG  13           HG2      ARG  13  12.066  24.529  22.971
   79    HG3  ARG  13           HG1      ARG  13  11.953  23.941  21.321
   80    HD2  ARG  13           HD2      ARG  13  12.092  21.678  21.996
   81    HD3  ARG  13           HD1      ARG  13  12.886  22.089  23.523
   82    HE   ARG  13           HE       ARG  13  10.274  23.236  23.426
   83   HH11  ARG  13          HH11      ARG  13  11.850  20.086  23.980
   84   HH12  ARG  13          HH12      ARG  13  10.460  19.433  24.811
   85   HH21  ARG  13          HH21      ARG  13   8.521  22.347  24.523
   86   HH22  ARG  13          HH22      ARG  13   8.611  20.719  25.157
   87    H    HIS  14           HN       HIS  14  16.111  21.703  22.171
   88    HA   HIS  14           HA       HIS  14  15.773  19.258  20.848
   89    HB2  HIS  14           HB2      HIS  14  16.297  19.996  23.733
   90    HB3  HIS  14           HB1      HIS  14  16.056  18.322  23.270
   91    HD1  HIS  14           HD1      HIS  14  18.286  17.186  23.183
   92    HD2  HIS  14           HD2      HIS  14  18.371  21.157  21.814
   93    HE1  HIS  14           HE1      HIS  14  20.702  17.697  22.595
   94    H    GLN  15           HN       GLN  15  13.988  18.215  20.370
   95    HA   GLN  15           HA       GLN  15  11.527  19.247  21.405
   96    HB2  GLN  15           HB2      GLN  15  12.063  17.075  19.361
   97    HB3  GLN  15           HB1      GLN  15  10.547  17.969  19.555
   98    HG2  GLN  15           HG2      GLN  15  11.752  20.082  18.974
   99    HG3  GLN  15           HG1      GLN  15  13.234  19.151  18.696
  100   HE21  GLN  15          HE21      GLN  15  12.433  16.952  17.254
  101   HE22  GLN  15          HE22      GLN  15  11.760  17.479  15.727
  102    H    LYS  16           HN       LYS  16  13.400  16.580  22.422
  103    HA   LYS  16           HA       LYS  16  11.058  15.063  23.478
  104    HB2  LYS  16           HB2      LYS  16  13.941  14.273  22.895
  105    HB3  LYS  16           HB1      LYS  16  12.766  13.233  23.716
  106    HG2  LYS  16           HG2      LYS  16  11.344  13.123  21.775
  107    HG3  LYS  16           HG1      LYS  16  12.282  14.369  20.930
  108    HD2  LYS  16           HD2      LYS  16  14.232  12.935  20.817
  109    HD3  LYS  16           HD1      LYS  16  13.410  11.667  21.758
  110    HE2  LYS  16           HE2      LYS  16  11.855  11.229  20.005
  111    HE3  LYS  16           HE1      LYS  16  12.316  12.693  19.121
  112    HZ1  LYS  16           HZ1      LYS  16  13.279  10.752  18.142
  113    HZ2  LYS  16           HZ2      LYS  16  14.479  11.759  18.752
  114    HZ3  LYS  16           HZ3      LYS  16  14.054  10.360  19.582
  115    HN1  NH2  17           H2       NH2  17  11.814  15.834  26.812
  116    HN2  NH2  17           H1       NH2  17  10.643  15.364  25.601
  117    H1   ACE   0           H1       ACE   0  27.757  12.278  14.181
  118    H2   ACE   0           H2       ACE   0  29.387  11.932  13.559
  119    H3   ACE   0           H3       ACE   0  28.972  11.552  15.249
  120    H    ASP   1           HN       ASP   1  27.456  14.460  14.548
  121    HA   ASP   1           HA       ASP   1  29.453  15.921  16.072
  122    HB2  ASP   1           HB2      ASP   1  29.979  16.032  13.488
  123    HB3  ASP   1           HB1      ASP   1  28.651  17.187  13.442
  124    H    ALA   2           HN       ALA   2  28.679  17.700  17.147
  125    HA   ALA   2           HA       ALA   2  26.161  18.994  16.621
  126    HB1  ALA   2           HB1      ALA   2  25.064  18.346  18.750
  127    HB2  ALA   2           HB2      ALA   2  25.260  16.962  17.655
  128    HB3  ALA   2           HB3      ALA   2  26.354  17.163  19.038
  129    H    GLU   3           HN       GLU   3  28.915  18.454  18.851
  130    HA   GLU   3           HA       GLU   3  28.362  20.518  20.684
  131    HB2  GLU   3           HB2      GLU   3  30.800  18.917  19.977
  132    HB3  GLU   3           HB1      GLU   3  30.940  20.210  21.149
  133    HG2  GLU   3           HG2      GLU   3  28.840  18.056  21.492
  134    HG3  GLU   3           HG1      GLU   3  30.502  17.827  22.023
  135    H    PHE   4           HN       PHE   4  29.427  21.018  17.484
  136    HA   PHE   4           HA       PHE   4  31.004  23.359  17.808
  137    HB2  PHE   4           HB2      PHE   4  30.327  23.844  15.509
  138    HB3  PHE   4           HB1      PHE   4  30.809  22.169  15.701
  139    HD1  PHE   4           HD1      PHE   4  29.125  20.342  15.600
  140    HD2  PHE   4           HD2      PHE   4  28.023  24.445  14.909
  141    HE1  PHE   4           HE1      PHE   4  27.036  19.590  14.498
  142    HE2  PHE   4           HE2      PHE   4  25.906  23.695  13.854
  143    HZ   PHE   4           HZ       PHE   4  25.433  21.259  13.621
  144    H    GLY   5           HN       GLY   5  27.559  22.793  18.281
  145    HA2  GLY   5           HA2      GLY   5  27.276  25.556  19.244
  146    HA3  GLY   5           HA1      GLY   5  26.172  25.029  17.972
  147    H    HIS   6           HN       HIS   6  26.959  22.389  20.056
  148    HA   HIS   6           HA       HIS   6  24.301  22.499  21.275
  149    HB2  HIS   6           HB2      HIS   6  25.092  20.395  20.353
  150    HB3  HIS   6           HB1      HIS   6  26.476  20.409  21.441
  151    HD2  HIS   6           HD2      HIS   6  26.190  19.379  23.810
  152    HE1  HIS   6           HE1      HIS   6  21.988  18.916  23.874
  153    HE2  HIS   6           HE2      HIS   6  24.147  18.414  25.099
  154    H    ASP   7           HN       ASP   7  24.030  21.958  23.509
  155    HA   ASP   7           HA       ASP   7  25.612  23.080  25.606
  156    HB2  ASP   7           HB2      ASP   7  24.324  25.149  25.874
  157    HB3  ASP   7           HB1      ASP   7  25.260  25.134  24.397
  158    H    SER   8           HN       SER   8  22.521  24.090  26.230
  159    HA   SER   8           HA       SER   8  21.637  21.445  27.288
  160    HB2  SER   8           HB2      SER   8  20.690  24.259  27.958
  161    HB3  SER   8           HB1      SER   8  20.159  22.746  28.715
  162    HG   SER   8           HG       SER   8  21.786  23.741  29.925
  163    H    GLY   9           HN       GLY   9  19.977  24.385  26.039
  164    HA2  GLY   9           HA2      GLY   9  18.663  24.736  24.244
  165    HA3  GLY   9           HA1      GLY   9  19.301  23.224  23.569
  166    H    PHE  10           HN       PHE  10  17.511  23.045  26.601
  167    HA   PHE  10           HA       PHE  10  15.738  21.154  25.327
  168    HB2  PHE  10           HB2      PHE  10  15.102  20.759  27.800
  169    HB3  PHE  10           HB1      PHE  10  16.642  20.257  27.145
  170    HD1  PHE  10           HD1      PHE  10  15.998  23.811  28.147
  171    HD2  PHE  10           HD2      PHE  10  17.782  20.043  29.214
  172    HE1  PHE  10           HE1      PHE  10  17.150  24.905  30.028
  173    HE2  PHE  10           HE2      PHE  10  18.936  21.157  31.106
  174    HZ   PHE  10           HZ       PHE  10  18.600  23.573  31.536
  175    H    GLU  11           HN       GLU  11  15.157  24.438  26.370
  176    HA   GLU  11           HA       GLU  11  12.671  24.321  25.035
  177    HB2  GLU  11           HB2      GLU  11  11.065  24.900  26.619
  178    HB3  GLU  11           HB1      GLU  11  11.815  23.425  27.184
  179    HG2  GLU  11           HG2      GLU  11  12.252  26.238  28.274
  180    HG3  GLU  11           HG1      GLU  11  11.335  24.940  29.026
  181    H    VAL  12           HN       VAL  12  14.765  26.156  27.266
  182    HA   VAL  12           HA       VAL  12  14.874  28.479  25.512
  183    HB   VAL  12           HB       VAL  12  15.858  28.425  27.806
  184   HG11  VAL  12          HG11      VAL  12  17.956  27.286  28.284
  185   HG12  VAL  12          HG12      VAL  12  16.744  26.088  27.811
  186   HG13  VAL  12          HG13      VAL  12  18.000  26.579  26.660
  187   HG21  VAL  12          HG21      VAL  12  17.918  29.595  27.254
  188   HG22  VAL  12          HG22      VAL  12  17.921  28.906  25.618
  189   HG23  VAL  12          HG23      VAL  12  16.640  30.038  26.110
  190    H    ARG  13           HN       ARG  13  16.077  28.590  23.568
  191    HA   ARG  13           HA       ARG  13  16.481  26.029  22.213
  192    HB2  ARG  13           HB2      ARG  13  16.775  28.931  21.360
  193    HB3  ARG  13           HB1      ARG  13  17.157  27.585  20.305
  194    HG2  ARG  13           HG2      ARG  13  14.996  28.397  19.774
  195    HG3  ARG  13           HG1      ARG  13  14.878  26.747  20.388
  196    HD2  ARG  13           HD2      ARG  13  13.894  27.483  22.439
  197    HD3  ARG  13           HD1      ARG  13  14.321  29.174  22.120
  198    HE   ARG  13           HE       ARG  13  12.804  29.044  20.134
  199   HH11  ARG  13          HH11      ARG  13  12.090  26.962  22.958
  200   HH12  ARG  13          HH12      ARG  13  10.387  26.892  22.568
  201   HH21  ARG  13          HH21      ARG  13  10.638  28.920  19.711
  202   HH22  ARG  13          HH22      ARG  13   9.570  28.004  20.745
  203    H    HIS  14           HN       HIS  14  18.509  25.938  20.745
  204    HA   HIS  14           HA       HIS  14  21.019  25.868  22.074
  205    HB2  HIS  14           HB2      HIS  14  19.996  25.917  19.242
  206    HB3  HIS  14           HB1      HIS  14  21.677  26.353  19.500
  207    HD1  HIS  14           HD1      HIS  14  22.898  24.342  18.612
  208    HD2  HIS  14           HD2      HIS  14  19.887  23.404  21.378
  209    HE1  HIS  14           HE1      HIS  14  23.153  21.869  19.132
  210    H    GLN  15           HN       GLN  15  22.410  27.409  22.616
  211    HA   GLN  15           HA       GLN  15  21.903  30.244  21.834
  212    HB2  GLN  15           HB2      GLN  15  23.367  29.153  24.278
  213    HB3  GLN  15           HB1      GLN  15  22.950  30.829  23.915
  214    HG2  GLN  15           HG2      GLN  15  20.478  30.059  23.994
  215    HG3  GLN  15           HG1      GLN  15  21.078  28.532  24.631
  216   HE21  GLN  15          HE21      GLN  15  22.246  31.876  25.400
  217   HE22  GLN  15          HE22      GLN  15  21.828  31.775  27.103
  218    H    LYS  16           HN       LYS  16  24.265  27.626  21.961
  219    HA   LYS  16           HA       LYS  16  26.620  29.285  21.707
  220    HB2  LYS  16           HB2      LYS  16  25.969  26.337  21.789
  221    HB3  LYS  16           HB1      LYS  16  27.560  26.845  21.239
  222    HG2  LYS  16           HG2      LYS  16  27.395  26.205  23.652
  223    HG3  LYS  16           HG1      LYS  16  28.131  27.766  23.329
  224    HD2  LYS  16           HD2      LYS  16  26.108  28.945  24.039
  225    HD3  LYS  16           HD1      LYS  16  25.233  27.411  24.200
  226    HE2  LYS  16           HE2      LYS  16  26.884  26.715  25.949
  227    HE3  LYS  16           HE1      LYS  16  27.644  28.315  25.819
  228    HZ1  LYS  16           HZ1      LYS  16  26.090  28.205  27.633
  229    HZ2  LYS  16           HZ2      LYS  16  25.557  29.297  26.471
  230    HZ3  LYS  16           HZ3      LYS  16  24.842  27.779  26.589
  231    HN1  NH2  17           H2       NH2  17  26.960  29.636  18.242
  232    HN2  NH2  17           H1       NH2  17  27.218  30.266  19.855
  Start of MODEL   16
    1    H1   ACE   0           H1       ACE   0  32.704  16.490  23.361
    2    H2   ACE   0           H2       ACE   0  33.570  15.332  24.393
    3    H3   ACE   0           H3       ACE   0  33.791  15.297  22.626
    4    H    ASP   1           HN       ASP   1  30.578  15.919  23.728
    5    HA   ASP   1           HA       ASP   1  29.476  13.552  22.554
    6    HB2  ASP   1           HB2      ASP   1  28.598  12.498  24.544
    7    HB3  ASP   1           HB1      ASP   1  30.336  12.450  24.553
    8    H    ALA   2           HN       ALA   2  27.167  13.516  22.564
    9    HA   ALA   2           HA       ALA   2  25.399  14.978  24.075
   10    HB1  ALA   2           HB1      ALA   2  24.644  16.784  22.448
   11    HB2  ALA   2           HB2      ALA   2  26.162  17.115  23.264
   12    HB3  ALA   2           HB3      ALA   2  26.180  16.542  21.587
   13    H    GLU   3           HN       GLU   3  26.099  13.532  20.944
   14    HA   GLU   3           HA       GLU   3  23.878  14.050  19.548
   15    HB2  GLU   3           HB2      GLU   3  25.568  11.540  19.356
   16    HB3  GLU   3           HB1      GLU   3  24.395  12.068  18.153
   17    HG2  GLU   3           HG2      GLU   3  26.440  12.816  17.308
   18    HG3  GLU   3           HG1      GLU   3  25.675  14.260  17.962
   19    H    PHE   4           HN       PHE   4  24.045  11.448  21.918
   20    HA   PHE   4           HA       PHE   4  21.931   9.781  21.182
   21    HB2  PHE   4           HB2      PHE   4  21.889   9.441  23.799
   22    HB3  PHE   4           HB1      PHE   4  23.245   8.932  22.817
   23    HD1  PHE   4           HD1      PHE   4  22.150  11.580  25.230
   24    HD2  PHE   4           HD2      PHE   4  25.421   9.852  23.011
   25    HE1  PHE   4           HE1      PHE   4  23.760  12.982  26.494
   26    HE2  PHE   4           HE2      PHE   4  27.009  11.200  24.295
   27    HZ   PHE   4           HZ       PHE   4  26.200  12.813  26.024
   28    H    GLY   5           HN       GLY   5  21.767  12.835  23.047
   29    HA2  GLY   5           HA2      GLY   5  18.783  12.606  23.118
   30    HA3  GLY   5           HA1      GLY   5  19.786  13.431  24.330
   31    H    HIS   6           HN       HIS   6  20.894  13.919  21.096
   32    HA   HIS   6           HA       HIS   6  20.232  16.753  21.409
   33    HB2  HIS   6           HB2      HIS   6  22.552  16.204  21.171
   34    HB3  HIS   6           HB1      HIS   6  22.206  15.253  19.718
   35    HD2  HIS   6           HD2      HIS   6  22.287  16.418  17.432
   36    HE1  HIS   6           HE1      HIS   6  22.645  20.449  18.704
   37    HE2  HIS   6           HE2      HIS   6  22.651  18.898  16.694
   38    H    ASP   7           HN       ASP   7  19.244  18.022  20.054
   39    HA   ASP   7           HA       ASP   7  19.156  17.354  17.261
   40    HB2  ASP   7           HB2      ASP   7  16.915  16.672  18.458
   41    HB3  ASP   7           HB1      ASP   7  16.527  18.388  18.289
   42    H    SER   8           HN       SER   8  18.453  19.362  16.025
   43    HA   SER   8           HA       SER   8  20.725  20.858  16.822
   44    HB2  SER   8           HB2      SER   8  19.138  20.437  14.300
   45    HB3  SER   8           HB1      SER   8  20.465  21.616  14.361
   46    HG   SER   8           HG       SER   8  20.932  19.266  13.832
   47    H    GLY   9           HN       GLY   9  17.422  21.896  17.049
   48    HA2  GLY   9           HA2      GLY   9  17.204  23.678  18.558
   49    HA3  GLY   9           HA1      GLY   9  18.602  24.484  17.877
   50    H    PHE  10           HN       PHE  10  16.900  23.804  15.120
   51    HA   PHE  10           HA       PHE  10  16.285  26.608  14.959
   52    HB2  PHE  10           HB2      PHE  10  15.682  25.882  12.535
   53    HB3  PHE  10           HB1      PHE  10  17.329  25.895  13.096
   54    HD1  PHE  10           HD1      PHE  10  14.448  23.426  13.012
   55    HD2  PHE  10           HD2      PHE  10  18.677  24.109  12.476
   56    HE1  PHE  10           HE1      PHE  10  14.757  21.057  12.357
   57    HE2  PHE  10           HE2      PHE  10  18.970  21.740  11.830
   58    HZ   PHE  10           HZ       PHE  10  17.005  20.223  11.744
   59    H    GLU  11           HN       GLU  11  14.176  23.943  15.642
   60    HA   GLU  11           HA       GLU  11  11.862  25.591  15.888
   61    HB2  GLU  11           HB2      GLU  11  11.767  25.469  13.431
   62    HB3  GLU  11           HB1      GLU  11  11.880  23.703  13.480
   63    HG2  GLU  11           HG2      GLU  11   9.717  23.533  14.577
   64    HG3  GLU  11           HG1      GLU  11   9.666  25.279  14.851
   65    H    VAL  12           HN       VAL  12  12.907  22.235  15.114
   66    HA   VAL  12           HA       VAL  12  11.919  21.237  17.692
   67    HB   VAL  12           HB       VAL  12  12.325  19.684  15.789
   68   HG11  VAL  12          HG11      VAL  12  14.514  19.105  15.014
   69   HG12  VAL  12          HG12      VAL  12  14.365  20.858  14.839
   70   HG13  VAL  12          HG13      VAL  12  15.303  20.180  16.186
   71   HG21  VAL  12          HG21      VAL  12  13.632  18.014  17.119
   72   HG22  VAL  12          HG22      VAL  12  14.057  19.288  18.269
   73   HG23  VAL  12          HG23      VAL  12  12.357  18.820  18.050
   74    H    ARG  13           HN       ARG  13  12.967  21.618  19.578
   75    HA   ARG  13           HA       ARG  13  15.650  22.909  19.476
   76    HB2  ARG  13           HB2      ARG  13  13.497  23.038  21.602
   77    HB3  ARG  13           HB1      ARG  13  15.190  23.483  21.874
   78    HG2  ARG  13           HG2      ARG  13  14.426  25.545  21.259
   79    HG3  ARG  13           HG1      ARG  13  14.862  24.933  19.675
   80    HD2  ARG  13           HD2      ARG  13  12.467  24.269  19.317
   81    HD3  ARG  13           HD1      ARG  13  12.071  25.040  20.866
   82    HE   ARG  13           HE       ARG  13  13.537  26.886  19.294
   83   HH11  ARG  13          HH11      ARG  13  10.348  25.307  19.148
   84   HH12  ARG  13          HH12      ARG  13   9.600  26.677  18.361
   85   HH21  ARG  13          HH21      ARG  13  12.534  28.602  18.217
   86   HH22  ARG  13          HH22      ARG  13  10.837  28.507  17.806
   87    H    HIS  14           HN       HIS  14  14.512  21.189  22.281
   88    HA   HIS  14           HA       HIS  14  15.799  18.661  21.361
   89    HB2  HIS  14           HB2      HIS  14  16.034  20.067  24.037
   90    HB3  HIS  14           HB1      HIS  14  15.983  18.312  23.969
   91    HD1  HIS  14           HD1      HIS  14  18.371  17.569  24.380
   92    HD2  HIS  14           HD2      HIS  14  18.052  20.644  21.543
   93    HE1  HIS  14           HE1      HIS  14  20.678  17.863  23.360
   94    H    GLN  15           HN       GLN  15  14.519  16.871  21.655
   95    HA   GLN  15           HA       GLN  15  11.910  17.038  23.021
   96    HB2  GLN  15           HB2      GLN  15  12.278  16.536  20.024
   97    HB3  GLN  15           HB1      GLN  15  10.880  15.982  20.900
   98    HG2  GLN  15           HG2      GLN  15  11.709  18.908  20.732
   99    HG3  GLN  15           HG1      GLN  15  10.519  18.129  19.704
  100   HE21  GLN  15          HE21      GLN  15  10.977  19.696  22.734
  101   HE22  GLN  15          HE22      GLN  15   9.397  19.342  23.405
  102    H    LYS  16           HN       LYS  16  10.962  15.011  23.382
  103    HA   LYS  16           HA       LYS  16  12.768  12.668  23.085
  104    HB2  LYS  16           HB2      LYS  16  11.656  11.694  25.009
  105    HB3  LYS  16           HB1      LYS  16  12.495  13.196  25.351
  106    HG2  LYS  16           HG2      LYS  16  10.171  14.352  25.254
  107    HG3  LYS  16           HG1      LYS  16   9.497  12.722  25.268
  108    HD2  LYS  16           HD2      LYS  16   9.471  13.462  27.511
  109    HD3  LYS  16           HD1      LYS  16  10.731  12.239  27.384
  110    HE2  LYS  16           HE2      LYS  16  11.465  14.091  28.790
  111    HE3  LYS  16           HE1      LYS  16  12.460  14.023  27.326
  112    HZ1  LYS  16           HZ1      LYS  16  11.820  16.254  27.854
  113    HZ2  LYS  16           HZ2      LYS  16  11.111  15.783  26.403
  114    HZ3  LYS  16           HZ3      LYS  16  10.189  15.846  27.808
  115    HN1  NH2  17           H2       NH2  17   8.839  11.902  22.082
  116    HN2  NH2  17           H1       NH2  17   9.175  12.726  23.588
  117    H1   ACE   0           H1       ACE   0  27.935  12.622  13.447
  118    H2   ACE   0           H2       ACE   0  29.535  11.858  13.414
  119    H3   ACE   0           H3       ACE   0  28.230  11.148  14.392
  120    H    ASP   1           HN       ASP   1  27.896  14.428  14.670
  121    HA   ASP   1           HA       ASP   1  29.037  14.607  17.322
  122    HB2  ASP   1           HB2      ASP   1  30.996  14.940  15.725
  123    HB3  ASP   1           HB1      ASP   1  30.202  16.397  15.159
  124    H    ALA   2           HN       ALA   2  28.651  16.842  18.219
  125    HA   ALA   2           HA       ALA   2  26.650  18.537  16.924
  126    HB1  ALA   2           HB1      ALA   2  25.049  18.237  18.834
  127    HB2  ALA   2           HB2      ALA   2  25.209  16.785  17.818
  128    HB3  ALA   2           HB3      ALA   2  26.021  16.869  19.392
  129    H    GLU   3           HN       GLU   3  28.848  17.845  19.644
  130    HA   GLU   3           HA       GLU   3  28.147  20.116  21.189
  131    HB2  GLU   3           HB2      GLU   3  28.987  18.009  22.059
  132    HB3  GLU   3           HB1      GLU   3  30.585  18.324  21.378
  133    HG2  GLU   3           HG2      GLU   3  31.078  19.956  22.973
  134    HG3  GLU   3           HG1      GLU   3  29.394  20.426  23.180
  135    H    PHE   4           HN       PHE   4  29.893  20.187  18.301
  136    HA   PHE   4           HA       PHE   4  31.610  22.439  18.743
  137    HB2  PHE   4           HB2      PHE   4  31.189  22.833  16.292
  138    HB3  PHE   4           HB1      PHE   4  31.796  21.244  16.701
  139    HD1  PHE   4           HD1      PHE   4  28.657  23.092  15.759
  140    HD2  PHE   4           HD2      PHE   4  30.625  19.271  16.071
  141    HE1  PHE   4           HE1      PHE   4  26.785  22.023  14.539
  142    HE2  PHE   4           HE2      PHE   4  28.776  18.223  14.801
  143    HZ   PHE   4           HZ       PHE   4  26.850  19.587  14.042
  144    H    GLY   5           HN       GLY   5  28.110  22.105  18.513
  145    HA2  GLY   5           HA2      GLY   5  27.721  25.039  18.865
  146    HA3  GLY   5           HA1      GLY   5  26.812  24.097  17.665
  147    H    HIS   6           HN       HIS   6  27.227  21.991  20.204
  148    HA   HIS   6           HA       HIS   6  24.647  22.735  21.463
  149    HB2  HIS   6           HB2      HIS   6  24.494  20.560  20.544
  150    HB3  HIS   6           HB1      HIS   6  26.067  20.084  21.149
  151    HD2  HIS   6           HD2      HIS   6  26.328  19.691  23.868
  152    HE1  HIS   6           HE1      HIS   6  22.215  18.879  24.482
  153    HE2  HIS   6           HE2      HIS   6  24.542  18.714  25.491
  154    H    ASP   7           HN       ASP   7  24.685  23.614  23.316
  155    HA   ASP   7           HA       ASP   7  26.697  22.871  25.379
  156    HB2  ASP   7           HB2      ASP   7  26.046  24.898  26.556
  157    HB3  ASP   7           HB1      ASP   7  26.686  25.283  24.977
  158    H    SER   8           HN       SER   8  23.280  23.360  24.524
  159    HA   SER   8           HA       SER   8  22.413  21.004  25.827
  160    HB2  SER   8           HB2      SER   8  22.563  22.287  27.894
  161    HB3  SER   8           HB1      SER   8  21.566  23.583  27.199
  162    HG   SER   8           HG       SER   8  20.467  21.928  28.492
  163    H    GLY   9           HN       GLY   9  20.605  24.109  25.449
  164    HA2  GLY   9           HA2      GLY   9  19.152  24.764  23.821
  165    HA3  GLY   9           HA1      GLY   9  19.491  23.303  22.855
  166    H    PHE  10           HN       PHE  10  18.355  23.672  26.230
  167    HA   PHE  10           HA       PHE  10  16.724  21.387  26.067
  168    HB2  PHE  10           HB2      PHE  10  16.218  21.972  28.424
  169    HB3  PHE  10           HB1      PHE  10  17.922  21.959  27.990
  170    HD1  PHE  10           HD1      PHE  10  15.051  24.299  28.607
  171    HD2  PHE  10           HD2      PHE  10  19.330  23.805  28.523
  172    HE1  PHE  10           HE1      PHE  10  15.341  26.574  29.534
  173    HE2  PHE  10           HE2      PHE  10  19.609  26.060  29.490
  174    HZ   PHE  10           HZ       PHE  10  17.621  27.462  29.982
  175    H    GLU  11           HN       GLU  11  15.796  24.777  25.696
  176    HA   GLU  11           HA       GLU  11  13.098  24.089  24.888
  177    HB2  GLU  11           HB2      GLU  11  12.795  24.107  27.339
  178    HB3  GLU  11           HB1      GLU  11  13.512  25.723  27.430
  179    HG2  GLU  11           HG2      GLU  11  11.629  26.560  25.962
  180    HG3  GLU  11           HG1      GLU  11  10.924  24.940  26.016
  181    H    VAL  12           HN       VAL  12  14.927  26.861  26.252
  182    HA   VAL  12           HA       VAL  12  14.986  28.386  23.767
  183    HB   VAL  12           HB       VAL  12  15.445  29.423  25.969
  184   HG11  VAL  12          HG11      VAL  12  17.440  29.018  27.255
  185   HG12  VAL  12          HG12      VAL  12  16.595  27.479  27.065
  186   HG13  VAL  12          HG13      VAL  12  18.034  27.825  26.088
  187   HG21  VAL  12          HG21      VAL  12  17.499  30.646  25.368
  188   HG22  VAL  12          HG22      VAL  12  17.863  29.439  24.123
  189   HG23  VAL  12          HG23      VAL  12  16.416  30.459  23.981
  190    H    ARG  13           HN       ARG  13  16.381  27.918  22.033
  191    HA   ARG  13           HA       ARG  13  17.713  25.348  22.001
  192    HB2  ARG  13           HB2      ARG  13  18.419  25.964  19.737
  193    HB3  ARG  13           HB1      ARG  13  16.701  26.086  20.024
  194    HG2  ARG  13           HG2      ARG  13  17.427  27.888  18.614
  195    HG3  ARG  13           HG1      ARG  13  16.819  28.526  20.134
  196    HD2  ARG  13           HD2      ARG  13  19.075  28.987  20.909
  197    HD3  ARG  13           HD1      ARG  13  19.778  28.115  19.532
  198    HE   ARG  13           HE       ARG  13  18.059  30.137  18.551
  199   HH11  ARG  13          HH11      ARG  13  21.247  29.884  20.143
  200   HH12  ARG  13          HH12      ARG  13  21.827  31.358  19.406
  201   HH21  ARG  13          HH21      ARG  13  18.860  32.002  17.654
  202   HH22  ARG  13          HH22      ARG  13  20.492  32.539  17.993
  203    H    HIS  14           HN       HIS  14  20.095  25.527  20.853
  204    HA   HIS  14           HA       HIS  14  21.774  25.732  23.003
  205    HB2  HIS  14           HB2      HIS  14  22.656  26.122  20.122
  206    HB3  HIS  14           HB1      HIS  14  23.599  25.460  21.457
  207    HD1  HIS  14           HD1      HIS  14  21.423  24.377  18.665
  208    HD2  HIS  14           HD2      HIS  14  22.497  23.002  22.484
  209    HE1  HIS  14           HE1      HIS  14  20.785  21.926  18.759
  210    H    GLN  15           HN       GLN  15  22.906  27.300  24.043
  211    HA   GLN  15           HA       GLN  15  22.342  30.070  23.173
  212    HB2  GLN  15           HB2      GLN  15  23.127  28.972  25.899
  213    HB3  GLN  15           HB1      GLN  15  22.619  30.620  25.509
  214    HG2  GLN  15           HG2      GLN  15  20.406  29.731  24.738
  215    HG3  GLN  15           HG1      GLN  15  20.906  28.110  25.252
  216   HE21  GLN  15          HE21      GLN  15  20.522  31.458  26.544
  217   HE22  GLN  15          HE22      GLN  15  19.963  30.940  28.120
  218    H    LYS  16           HN       LYS  16  25.053  27.895  23.501
  219    HA   LYS  16           HA       LYS  16  27.100  29.796  23.999
  220    HB2  LYS  16           HB2      LYS  16  28.629  28.053  23.360
  221    HB3  LYS  16           HB1      LYS  16  27.370  27.397  24.393
  222    HG2  LYS  16           HG2      LYS  16  26.256  26.337  22.502
  223    HG3  LYS  16           HG1      LYS  16  27.297  27.157  21.347
  224    HD2  LYS  16           HD2      LYS  16  28.165  25.009  23.324
  225    HD3  LYS  16           HD1      LYS  16  27.946  24.817  21.591
  226    HE2  LYS  16           HE2      LYS  16  30.056  26.516  22.966
  227    HE3  LYS  16           HE1      LYS  16  30.307  24.977  22.129
  228    HZ1  LYS  16           HZ1      LYS  16  30.917  26.835  20.764
  229    HZ2  LYS  16           HZ2      LYS  16  29.615  26.014  20.088
  230    HZ3  LYS  16           HZ3      LYS  16  29.368  27.479  20.877
  231    HN1  NH2  17           H2       NH2  17  26.303  30.381  20.087
  232    HN2  NH2  17           H1       NH2  17  25.168  29.652  21.206
  Start of MODEL   17
    1    H1   ACE   0           H1       ACE   0  30.649  11.170  20.173
    2    H2   ACE   0           H2       ACE   0  32.016  10.691  21.200
    3    H3   ACE   0           H3       ACE   0  30.762   9.503  20.763
    4    H    ASP   1           HN       ASP   1  29.513  12.633  21.404
    5    HA   ASP   1           HA       ASP   1  28.113  11.695  23.741
    6    HB2  ASP   1           HB2      ASP   1  30.353  12.444  24.687
    7    HB3  ASP   1           HB1      ASP   1  29.973  14.074  24.128
    8    H    ALA   2           HN       ALA   2  26.369  12.835  24.230
    9    HA   ALA   2           HA       ALA   2  24.815  14.387  24.427
   10    HB1  ALA   2           HB1      ALA   2  25.002  16.634  23.729
   11    HB2  ALA   2           HB2      ALA   2  26.649  16.109  24.139
   12    HB3  ALA   2           HB3      ALA   2  26.156  16.252  22.453
   13    H    GLU   3           HN       GLU   3  25.484  12.797  21.511
   14    HA   GLU   3           HA       GLU   3  23.674  13.987  19.721
   15    HB2  GLU   3           HB2      GLU   3  24.468  11.062  19.663
   16    HB3  GLU   3           HB1      GLU   3  23.958  12.090  18.338
   17    HG2  GLU   3           HG2      GLU   3  26.133  12.279  17.880
   18    HG3  GLU   3           HG1      GLU   3  26.152  13.501  19.146
   19    H    PHE   4           HN       PHE   4  22.943  11.893  22.399
   20    HA   PHE   4           HA       PHE   4  20.962  10.245  21.390
   21    HB2  PHE   4           HB2      PHE   4  20.383   9.844  23.714
   22    HB3  PHE   4           HB1      PHE   4  22.121   9.915  23.506
   23    HD1  PHE   4           HD1      PHE   4  23.402  11.956  24.318
   24    HD2  PHE   4           HD2      PHE   4  19.218  11.380  25.167
   25    HE1  PHE   4           HE1      PHE   4  23.553  13.593  26.176
   26    HE2  PHE   4           HE2      PHE   4  19.371  13.044  27.006
   27    HZ   PHE   4           HZ       PHE   4  21.533  14.143  27.518
   28    H    GLY   5           HN       GLY   5  20.565  13.555  22.649
   29    HA2  GLY   5           HA2      GLY   5  17.722  13.560  21.726
   30    HA3  GLY   5           HA1      GLY   5  18.302  14.445  23.156
   31    H    HIS   6           HN       HIS   6  20.806  14.646  20.984
   32    HA   HIS   6           HA       HIS   6  20.063  17.380  20.223
   33    HB2  HIS   6           HB2      HIS   6  22.211  16.956  21.262
   34    HB3  HIS   6           HB1      HIS   6  22.622  15.793  20.000
   35    HD2  HIS   6           HD2      HIS   6  23.667  16.667  17.808
   36    HE1  HIS   6           HE1      HIS   6  23.603  20.818  18.668
   37    HE2  HIS   6           HE2      HIS   6  24.499  19.039  17.093
   38    H    ASP   7           HN       ASP   7  20.258  18.160  18.128
   39    HA   ASP   7           HA       ASP   7  19.392  16.518  15.887
   40    HB2  ASP   7           HB2      ASP   7  17.027  16.936  16.249
   41    HB3  ASP   7           HB1      ASP   7  17.659  16.119  17.661
   42    H    SER   8           HN       SER   8  17.483  18.370  14.885
   43    HA   SER   8           HA       SER   8  18.847  20.573  13.782
   44    HB2  SER   8           HB2      SER   8  16.533  21.553  13.548
   45    HB3  SER   8           HB1      SER   8  16.738  19.949  12.852
   46    HG   SER   8           HG       SER   8  14.806  20.125  14.042
   47    H    GLY   9           HN       GLY   9  16.682  20.471  16.639
   48    HA2  GLY   9           HA2      GLY   9  16.790  21.415  18.674
   49    HA3  GLY   9           HA1      GLY   9  18.512  21.699  18.332
   50    H    PHE  10           HN       PHE  10  16.745  23.384  16.005
   51    HA   PHE  10           HA       PHE  10  17.634  25.847  17.303
   52    HB2  PHE  10           HB2      PHE  10  17.678  26.688  14.973
   53    HB3  PHE  10           HB1      PHE  10  18.669  25.293  15.329
   54    HD1  PHE  10           HD1      PHE  10  15.039  24.753  14.542
   55    HD2  PHE  10           HD2      PHE  10  19.093  24.846  13.062
   56    HE1  PHE  10           HE1      PHE  10  14.340  23.581  12.490
   57    HE2  PHE  10           HE2      PHE  10  18.370  23.661  11.019
   58    HZ   PHE  10           HZ       PHE  10  15.984  23.015  10.736
   59    H    GLU  11           HN       GLU  11  14.663  24.492  17.272
   60    HA   GLU  11           HA       GLU  11  13.348  27.039  17.771
   61    HB2  GLU  11           HB2      GLU  11  13.091  26.788  15.302
   62    HB3  GLU  11           HB1      GLU  11  12.294  25.233  15.553
   63    HG2  GLU  11           HG2      GLU  11  10.454  26.307  16.746
   64    HG3  GLU  11           HG1      GLU  11  11.317  27.852  16.770
   65    H    VAL  12           HN       VAL  12  12.696  23.614  16.994
   66    HA   VAL  12           HA       VAL  12  11.475  22.836  19.482
   67    HB   VAL  12           HB       VAL  12  11.426  21.536  17.382
   68   HG11  VAL  12          HG11      VAL  12  13.325  20.271  16.582
   69   HG12  VAL  12          HG12      VAL  12  13.789  21.971  16.614
   70   HG13  VAL  12          HG13      VAL  12  14.364  20.871  17.885
   71   HG21  VAL  12          HG21      VAL  12  11.693  19.363  18.371
   72   HG22  VAL  12          HG22      VAL  12  12.768  20.003  19.636
   73   HG23  VAL  12          HG23      VAL  12  11.052  20.474  19.589
   74    H    ARG  13           HN       ARG  13  12.562  22.058  21.368
   75    HA   ARG  13           HA       ARG  13  15.081  23.477  21.815
   76    HB2  ARG  13           HB2      ARG  13  13.137  22.001  23.626
   77    HB3  ARG  13           HB1      ARG  13  14.663  22.668  24.198
   78    HG2  ARG  13           HG2      ARG  13  12.869  24.207  24.669
   79    HG3  ARG  13           HG1      ARG  13  14.038  24.917  23.555
   80    HD2  ARG  13           HD2      ARG  13  11.738  25.528  22.996
   81    HD3  ARG  13           HD1      ARG  13  12.489  24.632  21.690
   82    HE   ARG  13           HE       ARG  13  11.055  22.903  23.515
   83   HH11  ARG  13          HH11      ARG  13  10.498  25.074  20.734
   84   HH12  ARG  13          HH12      ARG  13   9.042  24.238  20.258
   85   HH21  ARG  13          HH21      ARG  13   9.228  21.825  22.813
   86   HH22  ARG  13          HH22      ARG  13   8.345  22.376  21.408
   87    H    HIS  14           HN       HIS  14  14.115  20.207  21.249
   88    HA   HIS  14           HA       HIS  14  16.491  19.062  20.706
   89    HB2  HIS  14           HB2      HIS  14  16.166  19.177  23.651
   90    HB3  HIS  14           HB1      HIS  14  16.353  17.551  23.040
   91    HD1  HIS  14           HD1      HIS  14  18.742  17.305  24.129
   92    HD2  HIS  14           HD2      HIS  14  18.365  20.249  21.157
   93    HE1  HIS  14           HE1      HIS  14  21.105  17.938  23.419
   94    H    GLN  15           HN       GLN  15  16.279  16.806  20.214
   95    HA   GLN  15           HA       GLN  15  13.575  15.623  20.538
   96    HB2  GLN  15           HB2      GLN  15  15.090  15.943  17.910
   97    HB3  GLN  15           HB1      GLN  15  13.711  14.871  18.151
   98    HG2  GLN  15           HG2      GLN  15  12.245  16.756  18.657
   99    HG3  GLN  15           HG1      GLN  15  13.602  17.879  18.530
  100   HE21  GLN  15          HE21      GLN  15  14.639  18.206  16.423
  101   HE22  GLN  15          HE22      GLN  15  13.701  17.929  14.965
  102    H    LYS  16           HN       LYS  16  14.036  13.881  21.737
  103    HA   LYS  16           HA       LYS  16  16.241  12.035  21.014
  104    HB2  LYS  16           HB2      LYS  16  14.024  11.802  23.101
  105    HB3  LYS  16           HB1      LYS  16  15.288  10.616  22.798
  106    HG2  LYS  16           HG2      LYS  16  17.009  12.210  23.514
  107    HG3  LYS  16           HG1      LYS  16  15.773  13.463  23.786
  108    HD2  LYS  16           HD2      LYS  16  14.686  11.995  25.473
  109    HD3  LYS  16           HD1      LYS  16  15.898  10.743  25.151
  110    HE2  LYS  16           HE2      LYS  16  17.627  12.624  25.748
  111    HE3  LYS  16           HE1      LYS  16  16.241  13.413  26.522
  112    HZ1  LYS  16           HZ1      LYS  16  17.460  12.042  28.054
  113    HZ2  LYS  16           HZ2      LYS  16  15.913  11.423  27.826
  114    HZ3  LYS  16           HZ3      LYS  16  17.231  10.686  27.085
  115    HN1  NH2  17           H2       NH2  17  12.388  10.751  20.079
  116    HN2  NH2  17           H1       NH2  17  12.652  11.738  21.500
  117    H1   ACE   0           H1       ACE   0  30.608  11.271  15.924
  118    H2   ACE   0           H2       ACE   0  30.121  12.386  14.632
  119    H3   ACE   0           H3       ACE   0  31.842  12.207  15.055
  120    H    ASP   1           HN       ASP   1  29.937  12.099  17.838
  121    HA   ASP   1           HA       ASP   1  29.736  13.397  19.649
  122    HB2  ASP   1           HB2      ASP   1  32.154  14.153  18.817
  123    HB3  ASP   1           HB1      ASP   1  31.349  15.673  18.498
  124    H    ALA   2           HN       ALA   2  29.313  16.110  20.033
  125    HA   ALA   2           HA       ALA   2  27.599  17.296  18.027
  126    HB1  ALA   2           HB1      ALA   2  25.641  17.348  19.789
  127    HB2  ALA   2           HB2      ALA   2  25.851  15.943  18.723
  128    HB3  ALA   2           HB3      ALA   2  26.405  15.866  20.387
  129    H    GLU   3           HN       GLU   3  29.412  17.410  20.977
  130    HA   GLU   3           HA       GLU   3  28.338  19.829  22.054
  131    HB2  GLU   3           HB2      GLU   3  30.881  18.328  22.713
  132    HB3  GLU   3           HB1      GLU   3  30.144  19.618  23.678
  133    HG2  GLU   3           HG2      GLU   3  28.052  18.250  23.873
  134    HG3  GLU   3           HG1      GLU   3  28.874  16.914  23.050
  135    H    PHE   4           HN       PHE   4  30.568  19.427  19.484
  136    HA   PHE   4           HA       PHE   4  32.023  21.892  19.648
  137    HB2  PHE   4           HB2      PHE   4  32.129  21.601  17.162
  138    HB3  PHE   4           HB1      PHE   4  32.622  20.175  18.063
  139    HD1  PHE   4           HD1      PHE   4  29.890  21.628  15.974
  140    HD2  PHE   4           HD2      PHE   4  31.410  18.094  17.928
  141    HE1  PHE   4           HE1      PHE   4  28.199  20.244  14.800
  142    HE2  PHE   4           HE2      PHE   4  29.751  16.721  16.709
  143    HZ   PHE   4           HZ       PHE   4  28.126  17.785  15.171
  144    H    GLY   5           HN       GLY   5  28.685  21.125  19.017
  145    HA2  GLY   5           HA2      GLY   5  27.980  23.983  18.748
  146    HA3  GLY   5           HA1      GLY   5  27.352  22.797  17.581
  147    H    HIS   6           HN       HIS   6  27.895  22.111  21.066
  148    HA   HIS   6           HA       HIS   6  25.066  22.518  21.651
  149    HB2  HIS   6           HB2      HIS   6  25.004  20.195  20.945
  150    HB3  HIS   6           HB1      HIS   6  26.333  19.772  22.004
  151    HD2  HIS   6           HD2      HIS   6  25.906  19.583  24.633
  152    HE1  HIS   6           HE1      HIS   6  21.722  20.294  24.590
  153    HE2  HIS   6           HE2      HIS   6  23.706  19.616  26.034
  154    H    ASP   7           HN       ASP   7  24.642  23.172  23.496
  155    HA   ASP   7           HA       ASP   7  25.807  22.722  25.988
  156    HB2  ASP   7           HB2      ASP   7  26.748  24.964  26.473
  157    HB3  ASP   7           HB1      ASP   7  27.718  24.069  25.317
  158    H    SER   8           HN       SER   8  24.057  24.916  23.803
  159    HA   SER   8           HA       SER   8  21.846  25.178  25.760
  160    HB2  SER   8           HB2      SER   8  20.992  26.939  24.342
  161    HB3  SER   8           HB1      SER   8  22.669  27.277  24.785
  162    HG   SER   8           HG       SER   8  22.397  27.653  22.614
  163    H    GLY   9           HN       GLY   9  19.629  25.159  24.424
  164    HA2  GLY   9           HA2      GLY   9  18.157  23.844  23.132
  165    HA3  GLY   9           HA1      GLY   9  19.479  22.739  22.705
  166    H    PHE  10           HN       PHE  10  17.289  23.768  25.267
  167    HA   PHE  10           HA       PHE  10  17.048  21.151  26.437
  168    HB2  PHE  10           HB2      PHE  10  17.922  21.749  28.667
  169    HB3  PHE  10           HB1      PHE  10  19.166  21.664  27.444
  170    HD1  PHE  10           HD1      PHE  10  17.100  24.061  29.453
  171    HD2  PHE  10           HD2      PHE  10  20.642  23.514  27.055
  172    HE1  PHE  10           HE1      PHE  10  17.925  26.296  30.149
  173    HE2  PHE  10           HE2      PHE  10  21.482  25.729  27.817
  174    HZ   PHE  10           HZ       PHE  10  20.125  27.117  29.355
  175    H    GLU  11           HN       GLU  11  16.270  24.552  26.334
  176    HA   GLU  11           HA       GLU  11  13.520  24.256  26.965
  177    HB2  GLU  11           HB2      GLU  11  14.358  24.116  29.325
  178    HB3  GLU  11           HB1      GLU  11  15.199  25.656  29.105
  179    HG2  GLU  11           HG2      GLU  11  13.020  26.780  28.663
  180    HG3  GLU  11           HG1      GLU  11  12.189  25.229  28.833
  181    H    VAL  12           HN       VAL  12  16.278  26.536  27.286
  182    HA   VAL  12           HA       VAL  12  15.366  28.344  25.188
  183    HB   VAL  12           HB       VAL  12  17.174  28.775  26.958
  184   HG11  VAL  12          HG11      VAL  12  19.431  28.021  26.606
  185   HG12  VAL  12          HG12      VAL  12  18.383  26.590  26.679
  186   HG13  VAL  12          HG13      VAL  12  18.982  27.173  25.117
  187   HG21  VAL  12          HG21      VAL  12  18.647  30.036  25.399
  188   HG22  VAL  12          HG22      VAL  12  17.838  29.251  24.032
  189   HG23  VAL  12          HG23      VAL  12  16.915  30.298  25.128
  190    H    ARG  13           HN       ARG  13  15.514  27.852  22.951
  191    HA   ARG  13           HA       ARG  13  16.540  25.201  22.164
  192    HB2  ARG  13           HB2      ARG  13  15.859  25.810  19.904
  193    HB3  ARG  13           HB1      ARG  13  14.569  25.890  21.077
  194    HG2  ARG  13           HG2      ARG  13  14.280  27.695  19.610
  195    HG3  ARG  13           HG1      ARG  13  14.807  28.389  21.137
  196    HD2  ARG  13           HD2      ARG  13  16.928  28.983  20.284
  197    HD3  ARG  13           HD1      ARG  13  16.830  27.783  18.984
  198    HE   ARG  13           HE       ARG  13  15.981  29.355  17.640
  199   HH11  ARG  13          HH11      ARG  13  14.970  30.354  20.916
  200   HH12  ARG  13          HH12      ARG  13  14.056  31.715  20.316
  201   HH21  ARG  13          HH21      ARG  13  14.844  31.128  16.935
  202   HH22  ARG  13          HH22      ARG  13  14.000  32.165  18.063
  203    H    HIS  14           HN       HIS  14  18.131  25.265  20.171
  204    HA   HIS  14           HA       HIS  14  20.591  26.173  21.155
  205    HB2  HIS  14           HB2      HIS  14  19.692  25.187  18.452
  206    HB3  HIS  14           HB1      HIS  14  21.291  25.896  18.668
  207    HD1  HIS  14           HD1      HIS  14  23.149  24.422  19.545
  208    HD2  HIS  14           HD2      HIS  14  19.281  22.924  20.239
  209    HE1  HIS  14           HE1      HIS  14  23.417  22.085  20.530
  210    H    GLN  15           HN       GLN  15  21.654  27.966  21.101
  211    HA   GLN  15           HA       GLN  15  20.511  30.411  19.987
  212    HB2  GLN  15           HB2      GLN  15  23.036  29.861  21.594
  213    HB3  GLN  15           HB1      GLN  15  22.392  31.464  21.201
  214    HG2  GLN  15           HG2      GLN  15  20.328  30.966  22.482
  215    HG3  GLN  15           HG1      GLN  15  20.934  29.352  22.870
  216   HE21  GLN  15          HE21      GLN  15  23.249  29.337  23.904
  217   HE22  GLN  15          HE22      GLN  15  23.499  30.532  25.151
  218    H    LYS  16           HN       LYS  16  21.274  31.464  18.242
  219    HA   LYS  16           HA       LYS  16  23.473  31.444  16.681
  220    HB2  LYS  16           HB2      LYS  16  23.111  29.730  14.924
  221    HB3  LYS  16           HB1      LYS  16  23.687  29.121  16.441
  222    HG2  LYS  16           HG2      LYS  16  21.002  28.710  16.826
  223    HG3  LYS  16           HG1      LYS  16  21.056  28.673  15.067
  224    HD2  LYS  16           HD2      LYS  16  22.881  26.916  15.236
  225    HD3  LYS  16           HD1      LYS  16  22.690  26.957  17.000
  226    HE2  LYS  16           HE2      LYS  16  20.261  26.385  16.680
  227    HE3  LYS  16           HE1      LYS  16  20.573  26.223  14.945
  228    HZ1  LYS  16           HZ1      LYS  16  20.628  24.111  16.063
  229    HZ2  LYS  16           HZ2      LYS  16  22.145  24.480  15.438
  230    HZ3  LYS  16           HZ3      LYS  16  21.853  24.640  17.086
  231    HN1  NH2  17           H2       NH2  17  20.756  33.688  15.773
  232    HN2  NH2  17           H1       NH2  17  21.790  33.351  17.144
  Start of MODEL   18
    1    H1   ACE   0           H1       ACE   0  31.804   9.892  21.760
    2    H2   ACE   0           H2       ACE   0  31.548   8.380  20.859
    3    H3   ACE   0           H3       ACE   0  31.786   9.914  19.982
    4    H    ASP   1           HN       ASP   1  29.856   9.878  22.897
    5    HA   ASP   1           HA       ASP   1  27.324   9.629  21.346
    6    HB2  ASP   1           HB2      ASP   1  27.919   9.075  24.275
    7    HB3  ASP   1           HB1      ASP   1  26.333   8.969  23.513
    8    H    ALA   2           HN       ALA   2  26.375  11.484  20.952
    9    HA   ALA   2           HA       ALA   2  25.699  13.257  23.182
   10    HB1  ALA   2           HB1      ALA   2  26.303  15.289  21.875
   11    HB2  ALA   2           HB2      ALA   2  27.712  14.334  22.340
   12    HB3  ALA   2           HB3      ALA   2  27.102  14.261  20.667
   13    H    GLU   3           HN       GLU   3  25.463  12.631  19.670
   14    HA   GLU   3           HA       GLU   3  23.195  14.115  19.071
   15    HB2  GLU   3           HB2      GLU   3  24.173  11.603  17.681
   16    HB3  GLU   3           HB1      GLU   3  23.099  12.833  17.037
   17    HG2  GLU   3           HG2      GLU   3  24.936  13.769  16.151
   18    HG3  GLU   3           HG1      GLU   3  25.249  14.407  17.756
   19    H    PHE   4           HN       PHE   4  23.292  11.040  20.700
   20    HA   PHE   4           HA       PHE   4  20.912   9.804  19.964
   21    HB2  PHE   4           HB2      PHE   4  21.167   8.557  21.989
   22    HB3  PHE   4           HB1      PHE   4  22.741   8.826  21.278
   23    HD1  PHE   4           HD1      PHE   4  20.486   9.724  24.068
   24    HD2  PHE   4           HD2      PHE   4  24.434  10.202  22.422
   25    HE1  PHE   4           HE1      PHE   4  21.260  10.685  26.209
   26    HE2  PHE   4           HE2      PHE   4  25.208  11.177  24.568
   27    HZ   PHE   4           HZ       PHE   4  23.624  11.437  26.459
   28    H    GLY   5           HN       GLY   5  21.337  12.628  22.005
   29    HA2  GLY   5           HA2      GLY   5  18.393  12.890  22.265
   30    HA3  GLY   5           HA1      GLY   5  19.443  13.117  23.678
   31    H    HIS   6           HN       HIS   6  20.250  14.106  20.327
   32    HA   HIS   6           HA       HIS   6  20.056  16.929  21.140
   33    HB2  HIS   6           HB2      HIS   6  22.280  16.634  21.750
   34    HB3  HIS   6           HB1      HIS   6  22.545  15.403  20.542
   35    HD2  HIS   6           HD2      HIS   6  23.120  16.068  18.046
   36    HE1  HIS   6           HE1      HIS   6  23.507  20.241  18.594
   37    HE2  HIS   6           HE2      HIS   6  23.848  18.326  16.980
   38    H    ASP   7           HN       ASP   7  19.984  18.412  19.739
   39    HA   ASP   7           HA       ASP   7  20.232  18.262  16.888
   40    HB2  ASP   7           HB2      ASP   7  17.818  18.922  16.510
   41    HB3  ASP   7           HB1      ASP   7  18.069  17.245  16.962
   42    H    SER   8           HN       SER   8  18.746  20.699  16.381
   43    HA   SER   8           HA       SER   8  20.426  22.612  17.907
   44    HB2  SER   8           HB2      SER   8  18.842  22.837  15.350
   45    HB3  SER   8           HB1      SER   8  19.697  24.195  16.126
   46    HG   SER   8           HG       SER   8  21.067  23.283  14.667
   47    H    GLY   9           HN       GLY   9  17.000  21.746  17.507
   48    HA2  GLY   9           HA2      GLY   9  15.434  22.052  19.080
   49    HA3  GLY   9           HA1      GLY   9  16.593  23.004  20.021
   50    H    PHE  10           HN       PHE  10  15.754  24.154  16.800
   51    HA   PHE  10           HA       PHE  10  15.153  26.706  17.935
   52    HB2  PHE  10           HB2      PHE  10  14.927  27.247  15.369
   53    HB3  PHE  10           HB1      PHE  10  16.465  26.948  16.151
   54    HD1  PHE  10           HD1      PHE  10  13.793  24.698  14.740
   55    HD2  PHE  10           HD2      PHE  10  17.951  25.794  14.761
   56    HE1  PHE  10           HE1      PHE  10  14.294  22.778  13.279
   57    HE2  PHE  10           HE2      PHE  10  18.452  23.891  13.259
   58    HZ   PHE  10           HZ       PHE  10  16.643  22.372  12.519
   59    H    GLU  11           HN       GLU  11  12.837  24.236  16.955
   60    HA   GLU  11           HA       GLU  11  10.849  26.072  17.966
   61    HB2  GLU  11           HB2      GLU  11   9.301  26.196  16.292
   62    HB3  GLU  11           HB1      GLU  11  10.809  26.589  15.501
   63    HG2  GLU  11           HG2      GLU  11   9.367  23.898  15.277
   64    HG3  GLU  11           HG1      GLU  11   9.198  25.226  14.159
   65    H    VAL  12           HN       VAL  12  11.212  22.876  16.352
   66    HA   VAL  12           HA       VAL  12  10.064  21.560  18.731
   67    HB   VAL  12           HB       VAL  12   9.841  20.371  16.642
   68   HG11  VAL  12          HG11      VAL  12  11.932  19.294  15.574
   69   HG12  VAL  12          HG12      VAL  12  11.524  20.946  15.145
   70   HG13  VAL  12          HG13      VAL  12  12.831  20.643  16.280
   71   HG21  VAL  12          HG21      VAL  12  10.896  18.220  17.301
   72   HG22  VAL  12          HG22      VAL  12  11.783  19.073  18.570
   73   HG23  VAL  12          HG23      VAL  12  10.007  19.031  18.590
   74    H    ARG  13           HN       ARG  13  11.270  21.286  20.518
   75    HA   ARG  13           HA       ARG  13  14.025  22.362  20.610
   76    HB2  ARG  13           HB2      ARG  13  11.908  21.695  22.639
   77    HB3  ARG  13           HB1      ARG  13  13.580  21.881  23.120
   78    HG2  ARG  13           HG2      ARG  13  12.314  23.926  23.444
   79    HG3  ARG  13           HG1      ARG  13  13.690  24.162  22.361
   80    HD2  ARG  13           HD2      ARG  13  12.236  24.328  20.439
   81    HD3  ARG  13           HD1      ARG  13  10.858  23.719  21.365
   82    HE   ARG  13           HE       ARG  13  10.647  25.745  22.515
   83   HH11  ARG  13          HH11      ARG  13  13.210  26.024  20.045
   84   HH12  ARG  13          HH12      ARG  13  13.197  27.770  20.106
   85   HH21  ARG  13          HH21      ARG  13  10.729  27.972  22.595
   86   HH22  ARG  13          HH22      ARG  13  11.795  28.868  21.539
   87    H    HIS  14           HN       HIS  14  15.412  20.999  22.311
   88    HA   HIS  14           HA       HIS  14  16.421  18.747  21.177
   89    HB2  HIS  14           HB2      HIS  14  16.552  20.016  23.799
   90    HB3  HIS  14           HB1      HIS  14  16.699  18.275  23.930
   91    HD1  HIS  14           HD1      HIS  14  19.151  17.717  24.064
   92    HD2  HIS  14           HD2      HIS  14  18.275  20.718  21.262
   93    HE1  HIS  14           HE1      HIS  14  21.338  18.291  22.917
   94    H    GLN  15           HN       GLN  15  15.795  16.830  20.705
   95    HA   GLN  15           HA       GLN  15  13.440  15.570  21.998
   96    HB2  GLN  15           HB2      GLN  15  14.997  14.857  19.483
   97    HB3  GLN  15           HB1      GLN  15  13.512  14.078  20.034
   98    HG2  GLN  15           HG2      GLN  15  12.184  15.991  19.527
   99    HG3  GLN  15           HG1      GLN  15  13.594  17.037  19.361
  100   HE21  GLN  15          HE21      GLN  15  15.029  16.824  17.554
  101   HE22  GLN  15          HE22      GLN  15  14.418  16.155  16.052
  102    H    LYS  16           HN       LYS  16  13.667  13.186  22.427
  103    HA   LYS  16           HA       LYS  16  16.297  12.032  22.701
  104    HB2  LYS  16           HB2      LYS  16  16.427  13.435  24.664
  105    HB3  LYS  16           HB1      LYS  16  14.802  12.976  25.174
  106    HG2  LYS  16           HG2      LYS  16  16.520  11.905  26.539
  107    HG3  LYS  16           HG1      LYS  16  15.544  10.715  25.680
  108    HD2  LYS  16           HD2      LYS  16  17.447  10.521  23.981
  109    HD3  LYS  16           HD1      LYS  16  18.365  11.643  24.989
  110    HE2  LYS  16           HE2      LYS  16  19.053   9.408  25.530
  111    HE3  LYS  16           HE1      LYS  16  18.133  10.036  26.908
  112    HZ1  LYS  16           HZ1      LYS  16  17.512   7.796  26.367
  113    HZ2  LYS  16           HZ2      LYS  16  16.218   8.831  26.079
  114    HZ3  LYS  16           HZ3      LYS  16  17.122   8.237  24.791
  115    HN1  NH2  17           H2       NH2  17  14.602   8.991  22.584
  116    HN2  NH2  17           H1       NH2  17  16.065   9.914  22.326
  117    H1   ACE   0           H1       ACE   0  30.471  11.951  15.306
  118    H2   ACE   0           H2       ACE   0  32.097  12.626  15.043
  119    H3   ACE   0           H3       ACE   0  31.826  11.425  16.324
  120    H    ASP   1           HN       ASP   1  29.251  12.629  17.095
  121    HA   ASP   1           HA       ASP   1  28.770  13.438  19.120
  122    HB2  ASP   1           HB2      ASP   1  31.332  13.489  19.507
  123    HB3  ASP   1           HB1      ASP   1  31.175  15.225  19.251
  124    H    ALA   2           HN       ALA   2  29.047  16.201  20.008
  125    HA   ALA   2           HA       ALA   2  27.725  17.848  17.939
  126    HB1  ALA   2           HB1      ALA   2  25.780  18.187  19.378
  127    HB2  ALA   2           HB2      ALA   2  25.930  16.461  18.963
  128    HB3  ALA   2           HB3      ALA   2  26.417  17.059  20.570
  129    H    GLU   3           HN       GLU   3  29.497  17.516  20.921
  130    HA   GLU   3           HA       GLU   3  28.610  19.883  22.195
  131    HB2  GLU   3           HB2      GLU   3  30.790  17.887  22.795
  132    HB3  GLU   3           HB1      GLU   3  30.361  19.228  23.873
  133    HG2  GLU   3           HG2      GLU   3  28.112  18.456  24.157
  134    HG3  GLU   3           HG1      GLU   3  28.240  17.281  22.855
  135    H    PHE   4           HN       PHE   4  30.890  19.679  19.723
  136    HA   PHE   4           HA       PHE   4  32.498  21.994  20.187
  137    HB2  PHE   4           HB2      PHE   4  32.389  22.035  17.604
  138    HB3  PHE   4           HB1      PHE   4  33.087  20.641  18.389
  139    HD1  PHE   4           HD1      PHE   4  30.028  21.854  16.594
  140    HD2  PHE   4           HD2      PHE   4  32.154  18.450  18.158
  141    HE1  PHE   4           HE1      PHE   4  28.504  20.321  15.370
  142    HE2  PHE   4           HE2      PHE   4  30.611  16.933  16.968
  143    HZ   PHE   4           HZ       PHE   4  28.794  17.860  15.553
  144    H    GLY   5           HN       GLY   5  29.084  21.649  19.601
  145    HA2  GLY   5           HA2      GLY   5  28.762  24.593  19.498
  146    HA3  GLY   5           HA1      GLY   5  28.004  23.576  18.259
  147    H    HIS   6           HN       HIS   6  28.063  21.855  21.227
  148    HA   HIS   6           HA       HIS   6  25.239  22.645  21.778
  149    HB2  HIS   6           HB2      HIS   6  25.307  20.374  20.983
  150    HB3  HIS   6           HB1      HIS   6  26.635  19.966  22.036
  151    HD2  HIS   6           HD2      HIS   6  26.203  19.696  24.671
  152    HE1  HIS   6           HE1      HIS   6  21.974  19.832  24.541
  153    HE2  HIS   6           HE2      HIS   6  23.989  19.363  26.002
  154    H    ASP   7           HN       ASP   7  24.641  23.291  23.661
  155    HA   ASP   7           HA       ASP   7  25.964  22.324  26.072
  156    HB2  ASP   7           HB2      ASP   7  25.993  24.442  27.212
  157    HB3  ASP   7           HB1      ASP   7  26.965  24.580  25.749
  158    H    SER   8           HN       SER   8  23.184  23.400  24.275
  159    HA   SER   8           HA       SER   8  21.319  22.116  26.031
  160    HB2  SER   8           HB2      SER   8  19.973  24.128  26.567
  161    HB3  SER   8           HB1      SER   8  21.547  24.099  27.369
  162    HG   SER   8           HG       SER   8  21.177  26.125  26.567
  163    H    GLY   9           HN       GLY   9  19.284  24.226  24.775
  164    HA2  GLY   9           HA2      GLY   9  18.576  24.449  22.416
  165    HA3  GLY   9           HA1      GLY   9  19.028  22.760  22.176
  166    H    PHE  10           HN       PHE  10  17.629  23.259  25.282
  167    HA   PHE  10           HA       PHE  10  15.304  21.691  24.416
  168    HB2  PHE  10           HB2      PHE  10  15.210  21.312  26.993
  169    HB3  PHE  10           HB1      PHE  10  16.387  20.502  25.990
  170    HD1  PHE  10           HD1      PHE  10  16.156  23.777  27.839
  171    HD2  PHE  10           HD2      PHE  10  18.553  20.357  26.793
  172    HE1  PHE  10           HE1      PHE  10  18.016  24.668  29.214
  173    HE2  PHE  10           HE2      PHE  10  20.403  21.239  28.161
  174    HZ   PHE  10           HZ       PHE  10  20.138  23.383  29.399
  175    H    GLU  11           HN       GLU  11  15.785  24.969  25.436
  176    HA   GLU  11           HA       GLU  11  13.031  25.395  24.871
  177    HB2  GLU  11           HB2      GLU  11  12.108  26.268  26.748
  178    HB3  GLU  11           HB1      GLU  11  12.897  24.832  27.353
  179    HG2  GLU  11           HG2      GLU  11  13.935  27.690  27.670
  180    HG3  GLU  11           HG1      GLU  11  12.999  26.798  28.846
  181    H    VAL  12           HN       VAL  12  15.903  26.904  26.367
  182    HA   VAL  12           HA       VAL  12  16.134  29.029  24.404
  183    HB   VAL  12           HB       VAL  12  17.375  28.857  26.621
  184   HG11  VAL  12          HG11      VAL  12  19.363  27.497  26.835
  185   HG12  VAL  12          HG12      VAL  12  18.014  26.409  26.465
  186   HG13  VAL  12          HG13      VAL  12  19.171  26.853  25.196
  187   HG21  VAL  12          HG21      VAL  12  19.522  29.696  25.737
  188   HG22  VAL  12          HG22      VAL  12  19.064  29.152  24.111
  189   HG23  VAL  12          HG23      VAL  12  18.126  30.421  24.929
  190    H    ARG  13           HN       ARG  13  16.917  28.744  22.292
  191    HA   ARG  13           HA       ARG  13  17.410  25.964  21.375
  192    HB2  ARG  13           HB2      ARG  13  17.250  26.907  19.113
  193    HB3  ARG  13           HB1      ARG  13  15.808  27.033  20.106
  194    HG2  ARG  13           HG2      ARG  13  16.004  28.993  18.791
  195    HG3  ARG  13           HG1      ARG  13  16.199  29.433  20.489
  196    HD2  ARG  13           HD2      ARG  13  18.632  29.607  20.182
  197    HD3  ARG  13           HD1      ARG  13  18.469  28.989  18.519
  198    HE   ARG  13           HE       ARG  13  16.865  31.338  18.926
  199   HH11  ARG  13          HH11      ARG  13  20.212  30.280  18.379
  200   HH12  ARG  13          HH12      ARG  13  20.667  31.761  17.567
  201   HH21  ARG  13          HH21      ARG  13  17.505  33.260  17.880
  202   HH22  ARG  13          HH22      ARG  13  19.124  33.428  17.254
  203    H    HIS  14           HN       HIS  14  19.238  25.752  19.699
  204    HA   HIS  14           HA       HIS  14  21.741  26.278  20.925
  205    HB2  HIS  14           HB2      HIS  14  20.838  25.285  18.230
  206    HB3  HIS  14           HB1      HIS  14  22.471  25.900  18.390
  207    HD1  HIS  14           HD1      HIS  14  24.092  24.076  18.604
  208    HD2  HIS  14           HD2      HIS  14  20.520  23.387  20.694
  209    HE1  HIS  14           HE1      HIS  14  24.355  21.833  19.743
  210    H    GLN  15           HN       GLN  15  23.258  27.821  20.685
  211    HA   GLN  15           HA       GLN  15  23.066  29.972  18.741
  212    HB2  GLN  15           HB2      GLN  15  22.781  31.741  20.443
  213    HB3  GLN  15           HB1      GLN  15  21.366  30.710  20.254
  214    HG2  GLN  15           HG2      GLN  15  22.032  29.459  22.326
  215    HG3  GLN  15           HG1      GLN  15  23.368  30.596  22.541
  216   HE21  GLN  15          HE21      GLN  15  21.743  30.485  24.628
  217   HE22  GLN  15          HE22      GLN  15  20.598  31.810  24.668
  218    H    LYS  16           HN       LYS  16  24.821  31.541  18.988
  219    HA   LYS  16           HA       LYS  16  27.274  30.247  20.065
  220    HB2  LYS  16           HB2      LYS  16  26.655  29.591  17.677
  221    HB3  LYS  16           HB1      LYS  16  26.876  31.288  17.232
  222    HG2  LYS  16           HG2      LYS  16  29.242  31.126  18.152
  223    HG3  LYS  16           HG1      LYS  16  28.967  29.392  18.404
  224    HD2  LYS  16           HD2      LYS  16  28.487  29.198  15.920
  225    HD3  LYS  16           HD1      LYS  16  28.897  30.927  15.776
  226    HE2  LYS  16           HE2      LYS  16  31.120  30.254  16.973
  227    HE3  LYS  16           HE1      LYS  16  30.684  28.595  16.515
  228    HZ1  LYS  16           HZ1      LYS  16  32.098  29.638  14.888
  229    HZ2  LYS  16           HZ2      LYS  16  30.584  29.320  14.227
  230    HZ3  LYS  16           HZ3      LYS  16  30.994  30.888  14.675
  231    HN1  NH2  17           H2       NH2  17  28.751  33.373  20.657
  232    HN2  NH2  17           H1       NH2  17  28.832  31.629  20.789
  Start of MODEL   19
    1    H1   ACE   0           H1       ACE   0  29.529  12.490  16.765
    2    H2   ACE   0           H2       ACE   0  31.255  12.119  16.982
    3    H3   ACE   0           H3       ACE   0  30.034  10.834  17.151
    4    H    ASP   1           HN       ASP   1  28.986  13.816  18.452
    5    HA   ASP   1           HA       ASP   1  28.955  12.804  21.124
    6    HB2  ASP   1           HB2      ASP   1  31.384  13.901  20.626
    7    HB3  ASP   1           HB1      ASP   1  30.512  15.374  21.022
    8    H    ALA   2           HN       ALA   2  27.527  13.805  22.342
    9    HA   ALA   2           HA       ALA   2  26.196  15.297  23.293
   10    HB1  ALA   2           HB1      ALA   2  25.656  17.484  22.438
   11    HB2  ALA   2           HB2      ALA   2  27.400  17.216  22.455
   12    HB3  ALA   2           HB3      ALA   2  26.475  17.167  20.928
   13    H    GLU   3           HN       GLU   3  25.543  13.563  20.500
   14    HA   GLU   3           HA       GLU   3  22.894  14.454  19.987
   15    HB2  GLU   3           HB2      GLU   3  23.881  11.671  19.325
   16    HB3  GLU   3           HB1      GLU   3  22.611  12.598  18.571
   17    HG2  GLU   3           HG2      GLU   3  24.359  12.617  17.043
   18    HG3  GLU   3           HG1      GLU   3  24.338  14.234  17.739
   19    H    PHE   4           HN       PHE   4  24.027  12.738  22.691
   20    HA   PHE   4           HA       PHE   4  21.700  11.151  23.319
   21    HB2  PHE   4           HB2      PHE   4  22.716  11.342  25.661
   22    HB3  PHE   4           HB1      PHE   4  23.629  10.525  24.415
   23    HD1  PHE   4           HD1      PHE   4  23.324  13.981  25.948
   24    HD2  PHE   4           HD2      PHE   4  25.895  11.018  24.149
   25    HE1  PHE   4           HE1      PHE   4  25.290  15.450  26.306
   26    HE2  PHE   4           HE2      PHE   4  27.858  12.466  24.578
   27    HZ   PHE   4           HZ       PHE   4  27.560  14.682  25.657
   28    H    GLY   5           HN       GLY   5  22.320  14.563  23.354
   29    HA2  GLY   5           HA2      GLY   5  19.658  15.063  24.590
   30    HA3  GLY   5           HA1      GLY   5  21.086  16.024  25.035
   31    H    HIS   6           HN       HIS   6  21.100  15.044  21.708
   32    HA   HIS   6           HA       HIS   6  19.826  17.562  20.809
   33    HB2  HIS   6           HB2      HIS   6  22.322  17.856  21.213
   34    HB3  HIS   6           HB1      HIS   6  22.592  16.679  19.943
   35    HD2  HIS   6           HD2      HIS   6  22.224  17.487  17.408
   36    HE1  HIS   6           HE1      HIS   6  21.353  21.556  18.253
   37    HE2  HIS   6           HE2      HIS   6  21.921  19.881  16.419
   38    H    ASP   7           HN       ASP   7  18.484  17.161  19.209
   39    HA   ASP   7           HA       ASP   7  18.483  14.656  17.767
   40    HB2  ASP   7           HB2      ASP   7  16.511  15.579  16.626
   41    HB3  ASP   7           HB1      ASP   7  16.384  15.603  18.374
   42    H    SER   8           HN       SER   8  18.720  18.059  16.772
   43    HA   SER   8           HA       SER   8  20.634  17.795  14.674
   44    HB2  SER   8           HB2      SER   8  19.130  18.030  12.770
   45    HB3  SER   8           HB1      SER   8  18.769  16.527  13.618
   46    HG   SER   8           HG       SER   8  16.890  17.674  13.085
   47    H    GLY   9           HN       GLY   9  17.656  19.489  15.823
   48    HA2  GLY   9           HA2      GLY   9  17.521  21.457  16.925
   49    HA3  GLY   9           HA1      GLY   9  19.279  21.634  16.763
   50    H    PHE  10           HN       PHE  10  17.746  21.340  13.681
   51    HA   PHE  10           HA       PHE  10  18.820  23.917  13.050
   52    HB2  PHE  10           HB2      PHE  10  18.222  23.263  10.720
   53    HB3  PHE  10           HB1      PHE  10  19.259  22.172  11.614
   54    HD1  PHE  10           HD1      PHE  10  15.577  22.585  10.800
   55    HD2  PHE  10           HD2      PHE  10  18.884  19.901  11.450
   56    HE1  PHE  10           HE1      PHE  10  14.139  20.651  10.189
   57    HE2  PHE  10           HE2      PHE  10  17.472  18.003  10.744
   58    HZ   PHE  10           HZ       PHE  10  15.106  18.366  10.110
   59    H    GLU  11           HN       GLU  11  15.584  22.986  13.790
   60    HA   GLU  11           HA       GLU  11  14.466  25.590  13.602
   61    HB2  GLU  11           HB2      GLU  11  14.495  25.116  11.143
   62    HB3  GLU  11           HB1      GLU  11  13.585  23.628  11.430
   63    HG2  GLU  11           HG2      GLU  11  11.701  24.950  12.322
   64    HG3  GLU  11           HG1      GLU  11  12.608  26.444  12.072
   65    H    VAL  12           HN       VAL  12  13.546  22.160  13.054
   66    HA   VAL  12           HA       VAL  12  12.008  21.770  15.453
   67    HB   VAL  12           HB       VAL  12  12.236  20.219  13.450
   68   HG11  VAL  12          HG11      VAL  12  14.118  18.650  13.347
   69   HG12  VAL  12          HG12      VAL  12  14.719  20.311  13.196
   70   HG13  VAL  12          HG13      VAL  12  14.904  19.429  14.720
   71   HG21  VAL  12          HG21      VAL  12  11.985  18.224  14.723
   72   HG22  VAL  12          HG22      VAL  12  12.865  18.901  16.115
   73   HG23  VAL  12          HG23      VAL  12  11.271  19.542  15.648
   74    H    ARG  13           HN       ARG  13  12.864  20.968  17.521
   75    HA   ARG  13           HA       ARG  13  15.710  20.837  17.901
   76    HB2  ARG  13           HB2      ARG  13  16.017  22.605  19.483
   77    HB3  ARG  13           HB1      ARG  13  15.544  23.253  17.930
   78    HG2  ARG  13           HG2      ARG  13  13.706  23.007  20.352
   79    HG3  ARG  13           HG1      ARG  13  14.572  24.453  19.841
   80    HD2  ARG  13           HD2      ARG  13  13.358  24.347  17.650
   81    HD3  ARG  13           HD1      ARG  13  12.341  23.057  18.323
   82    HE   ARG  13           HE       ARG  13  11.867  24.780  20.187
   83   HH11  ARG  13          HH11      ARG  13  12.292  25.665  16.763
   84   HH12  ARG  13          HH12      ARG  13  11.277  27.081  16.903
   85   HH21  ARG  13          HH21      ARG  13  10.542  26.612  20.302
   86   HH22  ARG  13          HH22      ARG  13  10.269  27.591  18.881
   87    H    HIS  14           HN       HIS  14  16.202  19.470  19.284
   88    HA   HIS  14           HA       HIS  14  16.264  17.975  20.917
   89    HB2  HIS  14           HB2      HIS  14  14.935  20.328  22.275
   90    HB3  HIS  14           HB1      HIS  14  15.353  18.873  23.162
   91    HD1  HIS  14           HD1      HIS  14  17.155  20.164  24.588
   92    HD2  HIS  14           HD2      HIS  14  17.905  19.933  20.460
   93    HE1  HIS  14           HE1      HIS  14  19.612  20.693  24.263
   94    H    GLN  15           HN       GLN  15  14.330  17.366  19.060
   95    HA   GLN  15           HA       GLN  15  12.035  16.214  20.560
   96    HB2  GLN  15           HB2      GLN  15  12.669  16.705  17.621
   97    HB3  GLN  15           HB1      GLN  15  11.267  15.765  18.152
   98    HG2  GLN  15           HG2      GLN  15  11.780  18.678  18.854
   99    HG3  GLN  15           HG1      GLN  15  10.682  18.081  17.605
  100   HE21  GLN  15          HE21      GLN  15   8.824  16.794  18.222
  101   HE22  GLN  15          HE22      GLN  15   8.158  16.922  19.837
  102    H    LYS  16           HN       LYS  16  11.778  14.042  20.791
  103    HA   LYS  16           HA       LYS  16  13.576  12.191  19.281
  104    HB2  LYS  16           HB2      LYS  16  14.230  12.560  21.713
  105    HB3  LYS  16           HB1      LYS  16  12.674  11.854  22.166
  106    HG2  LYS  16           HG2      LYS  16  13.368   9.772  20.826
  107    HG3  LYS  16           HG1      LYS  16  14.945  10.542  20.603
  108    HD2  LYS  16           HD2      LYS  16  15.210   9.057  22.445
  109    HD3  LYS  16           HD1      LYS  16  15.102  10.672  23.150
  110    HE2  LYS  16           HE2      LYS  16  12.548  10.159  23.392
  111    HE3  LYS  16           HE1      LYS  16  13.011   8.476  23.081
  112    HZ1  LYS  16           HZ1      LYS  16  12.917   8.976  25.417
  113    HZ2  LYS  16           HZ2      LYS  16  14.491   8.599  24.961
  114    HZ3  LYS  16           HZ3      LYS  16  14.057  10.199  25.240
  115    HN1  NH2  17           H2       NH2  17   9.603  11.325  20.149
  116    HN2  NH2  17           H1       NH2  17  10.435  12.551  21.081
  117    H1   ACE   0           H1       ACE   0  26.165  12.404  13.252
  118    H2   ACE   0           H2       ACE   0  25.267  13.273  11.998
  119    H3   ACE   0           H3       ACE   0  26.988  12.878  11.750
  120    H    ASP   1           HN       ASP   1  27.283  13.538  14.755
  121    HA   ASP   1           HA       ASP   1  28.311  15.124  15.910
  122    HB2  ASP   1           HB2      ASP   1  29.084  15.934  13.508
  123    HB3  ASP   1           HB1      ASP   1  27.978  17.266  13.807
  124    H    ALA   2           HN       ALA   2  27.818  17.063  17.193
  125    HA   ALA   2           HA       ALA   2  25.282  18.434  16.887
  126    HB1  ALA   2           HB1      ALA   2  24.494  17.657  19.192
  127    HB2  ALA   2           HB2      ALA   2  24.286  16.520  17.842
  128    HB3  ALA   2           HB3      ALA   2  25.600  16.286  19.003
  129    H    GLU   3           HN       GLU   3  28.158  17.733  18.905
  130    HA   GLU   3           HA       GLU   3  27.752  19.795  20.781
  131    HB2  GLU   3           HB2      GLU   3  29.141  17.801  21.124
  132    HB3  GLU   3           HB1      GLU   3  30.312  18.392  19.942
  133    HG2  GLU   3           HG2      GLU   3  30.938  20.236  21.377
  134    HG3  GLU   3           HG1      GLU   3  29.564  19.950  22.449
  135    H    PHE   4           HN       PHE   4  28.867  20.073  17.511
  136    HA   PHE   4           HA       PHE   4  30.476  22.350  17.516
  137    HB2  PHE   4           HB2      PHE   4  29.634  22.697  15.255
  138    HB3  PHE   4           HB1      PHE   4  29.974  21.004  15.533
  139    HD1  PHE   4           HD1      PHE   4  27.234  23.504  15.200
  140    HD2  PHE   4           HD2      PHE   4  28.226  19.333  15.354
  141    HE1  PHE   4           HE1      PHE   4  24.919  22.940  14.511
  142    HE2  PHE   4           HE2      PHE   4  25.938  18.763  14.579
  143    HZ   PHE   4           HZ       PHE   4  24.266  20.555  14.211
  144    H    GLY   5           HN       GLY   5  27.060  22.100  18.307
  145    HA2  GLY   5           HA2      GLY   5  27.039  24.988  18.978
  146    HA3  GLY   5           HA1      GLY   5  25.682  24.269  18.091
  147    H    HIS   6           HN       HIS   6  26.572  21.737  20.080
  148    HA   HIS   6           HA       HIS   6  24.481  22.552  22.038
  149    HB2  HIS   6           HB2      HIS   6  24.017  20.570  20.664
  150    HB3  HIS   6           HB1      HIS   6  25.487  19.802  21.242
  151    HD2  HIS   6           HD2      HIS   6  25.565  19.183  23.968
  152    HE1  HIS   6           HE1      HIS   6  21.356  19.168  24.467
  153    HE2  HIS   6           HE2      HIS   6  23.577  18.487  25.500
  154    H    ASP   7           HN       ASP   7  25.089  23.145  23.980
  155    HA   ASP   7           HA       ASP   7  26.735  21.153  25.443
  156    HB2  ASP   7           HB2      ASP   7  27.251  22.729  27.153
  157    HB3  ASP   7           HB1      ASP   7  27.767  23.440  25.629
  158    H    SER   8           HN       SER   8  23.766  22.967  24.997
  159    HA   SER   8           HA       SER   8  22.175  21.122  26.527
  160    HB2  SER   8           HB2      SER   8  21.354  22.648  28.192
  161    HB3  SER   8           HB1      SER   8  23.106  22.507  28.355
  162    HG   SER   8           HG       SER   8  22.656  24.653  28.452
  163    H    GLY   9           HN       GLY   9  20.175  23.488  26.809
  164    HA2  GLY   9           HA2      GLY   9  18.908  24.625  24.957
  165    HA3  GLY   9           HA1      GLY   9  19.042  23.100  24.069
  166    H    PHE  10           HN       PHE  10  18.705  22.947  27.538
  167    HA   PHE  10           HA       PHE  10  16.069  21.753  27.465
  168    HB2  PHE  10           HB2      PHE  10  16.471  21.801  30.024
  169    HB3  PHE  10           HB1      PHE  10  17.325  20.711  28.973
  170    HD1  PHE  10           HD1      PHE  10  18.403  24.305  29.358
  171    HD2  PHE  10           HD2      PHE  10  19.070  20.193  30.466
  172    HE1  PHE  10           HE1      PHE  10  20.600  24.902  30.328
  173    HE2  PHE  10           HE2      PHE  10  21.265  20.812  31.406
  174    HZ   PHE  10           HZ       PHE  10  22.043  23.144  31.323
  175    H    GLU  11           HN       GLU  11  16.255  23.898  30.204
  176    HA   GLU  11           HA       GLU  11  13.837  25.126  29.249
  177    HB2  GLU  11           HB2      GLU  11  13.558  26.038  31.324
  178    HB3  GLU  11           HB1      GLU  11  14.391  24.522  31.639
  179    HG2  GLU  11           HG2      GLU  11  15.791  27.239  31.616
  180    HG3  GLU  11           HG1      GLU  11  15.097  26.502  33.028
  181    H    VAL  12           HN       VAL  12  17.183  26.287  29.599
  182    HA   VAL  12           HA       VAL  12  16.564  28.713  28.033
  183    HB   VAL  12           HB       VAL  12  18.253  28.734  29.906
  184   HG11  VAL  12          HG11      VAL  12  20.483  27.841  29.579
  185   HG12  VAL  12          HG12      VAL  12  19.313  26.518  29.465
  186   HG13  VAL  12          HG13      VAL  12  20.052  27.180  27.993
  187   HG21  VAL  12          HG21      VAL  12  19.864  30.114  28.702
  188   HG22  VAL  12          HG22      VAL  12  19.304  29.467  27.145
  189   HG23  VAL  12          HG23      VAL  12  18.215  30.451  28.148
  190    H    ARG  13           HN       ARG  13  17.033  28.825  25.847
  191    HA   ARG  13           HA       ARG  13  17.271  26.290  24.417
  192    HB2  ARG  13           HB2      ARG  13  16.774  27.579  22.456
  193    HB3  ARG  13           HB1      ARG  13  15.682  28.029  23.756
  194    HG2  ARG  13           HG2      ARG  13  17.174  30.054  24.197
  195    HG3  ARG  13           HG1      ARG  13  18.061  29.606  22.722
  196    HD2  ARG  13           HD2      ARG  13  15.993  29.792  21.398
  197    HD3  ARG  13           HD1      ARG  13  15.065  30.129  22.870
  198    HE   ARG  13           HE       ARG  13  17.145  32.042  22.683
  199   HH11  ARG  13          HH11      ARG  13  14.109  31.196  21.026
  200   HH12  ARG  13          HH12      ARG  13  13.763  32.855  20.591
  201   HH21  ARG  13          HH21      ARG  13  16.633  34.185  22.112
  202   HH22  ARG  13          HH22      ARG  13  15.193  34.539  21.188
  203    H    HIS  14           HN       HIS  14  18.763  26.657  22.258
  204    HA   HIS  14           HA       HIS  14  21.446  26.312  23.080
  205    HB2  HIS  14           HB2      HIS  14  19.951  26.562  20.495
  206    HB3  HIS  14           HB1      HIS  14  21.652  26.981  20.435
  207    HD1  HIS  14           HD1      HIS  14  22.955  25.032  19.565
  208    HD2  HIS  14           HD2      HIS  14  19.912  23.954  22.242
  209    HE1  HIS  14           HE1      HIS  14  23.108  22.510  19.846
  210    H    GLN  15           HN       GLN  15  22.837  27.755  23.823
  211    HA   GLN  15           HA       GLN  15  23.466  30.135  22.364
  212    HB2  GLN  15           HB2      GLN  15  23.152  31.769  24.147
  213    HB3  GLN  15           HB1      GLN  15  21.625  31.087  23.607
  214    HG2  GLN  15           HG2      GLN  15  21.631  29.560  25.610
  215    HG3  GLN  15           HG1      GLN  15  23.135  30.312  26.137
  216   HE21  GLN  15          HE21      GLN  15  22.465  31.316  28.010
  217   HE22  GLN  15          HE22      GLN  15  21.195  32.522  28.083
  218    H    LYS  16           HN       LYS  16  25.435  31.109  23.064
  219    HA   LYS  16           HA       LYS  16  27.219  29.106  24.329
  220    HB2  LYS  16           HB2      LYS  16  27.876  31.398  22.435
  221    HB3  LYS  16           HB1      LYS  16  28.986  30.151  23.029
  222    HG2  LYS  16           HG2      LYS  16  27.577  28.411  21.903
  223    HG3  LYS  16           HG1      LYS  16  26.531  29.697  21.279
  224    HD2  LYS  16           HD2      LYS  16  28.632  30.716  20.215
  225    HD3  LYS  16           HD1      LYS  16  29.436  29.181  20.579
  226    HE2  LYS  16           HE2      LYS  16  26.977  29.621  18.827
  227    HE3  LYS  16           HE1      LYS  16  28.604  29.177  18.293
  228    HZ1  LYS  16           HZ1      LYS  16  27.135  27.297  18.339
  229    HZ2  LYS  16           HZ2      LYS  16  28.378  27.101  19.455
  230    HZ3  LYS  16           HZ3      LYS  16  26.837  27.523  19.979
  231    HN1  NH2  17           H2       NH2  17  28.135  32.881  25.707
  232    HN2  NH2  17           H1       NH2  17  28.064  32.560  23.987
  Start of MODEL   20
    1    H1   ACE   0           H1       ACE   0  31.648  14.469  24.739
    2    H2   ACE   0           H2       ACE   0  32.150  13.048  25.668
    3    H3   ACE   0           H3       ACE   0  32.557  13.175  23.935
    4    H    ASP   1           HN       ASP   1  29.465  14.384  24.759
    5    HA   ASP   1           HA       ASP   1  27.988  12.499  23.246
    6    HB2  ASP   1           HB2      ASP   1  26.686  11.400  24.973
    7    HB3  ASP   1           HB1      ASP   1  28.368  10.973  25.154
    8    H    ALA   2           HN       ALA   2  26.013  13.257  22.747
    9    HA   ALA   2           HA       ALA   2  24.356  14.907  24.368
   10    HB1  ALA   2           HB1      ALA   2  24.394  16.962  22.927
   11    HB2  ALA   2           HB2      ALA   2  25.888  16.731  23.840
   12    HB3  ALA   2           HB3      ALA   2  25.838  16.322  22.118
   13    H    GLU   3           HN       GLU   3  25.074  13.250  21.384
   14    HA   GLU   3           HA       GLU   3  23.187  14.251  19.648
   15    HB2  GLU   3           HB2      GLU   3  24.262  11.407  19.671
   16    HB3  GLU   3           HB1      GLU   3  23.544  12.266  18.312
   17    HG2  GLU   3           HG2      GLU   3  25.708  12.627  17.767
   18    HG3  GLU   3           HG1      GLU   3  25.488  14.030  18.807
   19    H    PHE   4           HN       PHE   4  22.545  11.965  22.223
   20    HA   PHE   4           HA       PHE   4  20.399  10.488  21.250
   21    HB2  PHE   4           HB2      PHE   4  19.740  10.432  23.751
   22    HB3  PHE   4           HB1      PHE   4  21.289   9.781  23.258
   23    HD1  PHE   4           HD1      PHE   4  19.667  12.678  24.995
   24    HD2  PHE   4           HD2      PHE   4  23.366  10.709  23.983
   25    HE1  PHE   4           HE1      PHE   4  20.901  14.188  26.531
   26    HE2  PHE   4           HE2      PHE   4  24.584  12.211  25.527
   27    HZ   PHE   4           HZ       PHE   4  23.364  13.947  26.798
   28    H    GLY   5           HN       GLY   5  20.285  13.738  22.784
   29    HA2  GLY   5           HA2      GLY   5  17.417  13.989  21.980
   30    HA3  GLY   5           HA1      GLY   5  18.136  14.720  23.433
   31    H    HIS   6           HN       HIS   6  20.566  15.124  21.319
   32    HA   HIS   6           HA       HIS   6  19.853  17.858  20.584
   33    HB2  HIS   6           HB2      HIS   6  22.090  17.326  21.395
   34    HB3  HIS   6           HB1      HIS   6  22.302  16.136  20.113
   35    HD2  HIS   6           HD2      HIS   6  23.063  16.952  17.748
   36    HE1  HIS   6           HE1      HIS   6  23.244  21.118  18.540
   37    HE2  HIS   6           HE2      HIS   6  23.801  19.294  16.861
   38    H    ASP   7           HN       ASP   7  20.137  18.625  18.359
   39    HA   ASP   7           HA       ASP   7  18.978  16.875  16.307
   40    HB2  ASP   7           HB2      ASP   7  16.831  17.952  16.428
   41    HB3  ASP   7           HB1      ASP   7  17.207  17.291  18.011
   42    H    SER   8           HN       SER   8  17.644  18.852  14.826
   43    HA   SER   8           HA       SER   8  19.947  20.165  13.598
   44    HB2  SER   8           HB2      SER   8  17.104  20.000  12.561
   45    HB3  SER   8           HB1      SER   8  18.560  20.479  11.678
   46    HG   SER   8           HG       SER   8  18.055  18.332  11.249
   47    H    GLY   9           HN       GLY   9  17.135  21.178  15.459
   48    HA2  GLY   9           HA2      GLY   9  17.051  23.030  16.725
   49    HA3  GLY   9           HA1      GLY   9  18.523  23.620  15.920
   50    H    PHE  10           HN       PHE  10  15.810  23.053  13.767
   51    HA   PHE  10           HA       PHE  10  15.334  26.000  13.701
   52    HB2  PHE  10           HB2      PHE  10  15.301  25.763  11.211
   53    HB3  PHE  10           HB1      PHE  10  16.848  25.568  12.004
   54    HD1  PHE  10           HD1      PHE  10  14.002  23.239  11.021
   55    HD2  PHE  10           HD2      PHE  10  18.240  24.042  10.972
   56    HE1  PHE  10           HE1      PHE  10  14.385  21.136   9.790
   57    HE2  PHE  10           HE2      PHE  10  18.595  21.985   9.641
   58    HZ   PHE  10           HZ       PHE  10  16.684  20.510   9.077
   59    H    GLU  11           HN       GLU  11  13.728  23.023  13.993
   60    HA   GLU  11           HA       GLU  11  11.109  24.190  13.874
   61    HB2  GLU  11           HB2      GLU  11  11.501  23.991  11.432
   62    HB3  GLU  11           HB1      GLU  11  11.863  22.270  11.618
   63    HG2  GLU  11           HG2      GLU  11   9.574  21.826  12.349
   64    HG3  GLU  11           HG1      GLU  11   9.210  23.557  12.401
   65    H    VAL  12           HN       VAL  12  12.894  21.115  13.364
   66    HA   VAL  12           HA       VAL  12  11.915  19.892  15.819
   67    HB   VAL  12           HB       VAL  12  12.963  18.496  14.129
   68   HG11  VAL  12          HG11      VAL  12  15.307  18.604  13.508
   69   HG12  VAL  12          HG12      VAL  12  14.554  20.153  13.110
   70   HG13  VAL  12          HG13      VAL  12  15.578  20.006  14.553
   71   HG21  VAL  12          HG21      VAL  12  14.606  17.343  15.573
   72   HG22  VAL  12          HG22      VAL  12  14.710  18.763  16.605
   73   HG23  VAL  12          HG23      VAL  12  13.190  17.870  16.505
   74    H    ARG  13           HN       ARG  13  12.623  20.350  17.820
   75    HA   ARG  13           HA       ARG  13  15.132  21.881  18.225
   76    HB2  ARG  13           HB2      ARG  13  12.520  22.344  19.716
   77    HB3  ARG  13           HB1      ARG  13  14.108  22.837  20.305
   78    HG2  ARG  13           HG2      ARG  13  13.443  24.780  19.318
   79    HG3  ARG  13           HG1      ARG  13  14.391  24.063  18.020
   80    HD2  ARG  13           HD2      ARG  13  12.282  23.287  16.938
   81    HD3  ARG  13           HD1      ARG  13  11.359  23.969  18.277
   82    HE   ARG  13           HE       ARG  13  13.100  25.905  17.007
   83   HH11  ARG  13          HH11      ARG  13   9.939  24.298  16.661
   84   HH12  ARG  13          HH12      ARG  13   9.255  25.610  15.732
   85   HH21  ARG  13          HH21      ARG  13  12.182  27.564  15.766
   86   HH22  ARG  13          HH22      ARG  13  10.525  27.449  15.221
   87    H    HIS  14           HN       HIS  14  15.613  21.458  20.815
   88    HA   HIS  14           HA       HIS  14  16.481  18.827  20.941
   89    HB2  HIS  14           HB2      HIS  14  16.390  21.093  22.752
   90    HB3  HIS  14           HB1      HIS  14  16.087  19.622  23.639
   91    HD1  HIS  14           HD1      HIS  14  18.204  18.196  24.205
   92    HD2  HIS  14           HD2      HIS  14  18.781  21.133  21.267
   93    HE1  HIS  14           HE1      HIS  14  20.697  18.230  23.702
   94    H    GLN  15           HN       GLN  15  15.763  16.942  21.549
   95    HA   GLN  15           HA       GLN  15  12.958  16.452  21.606
   96    HB2  GLN  15           HB2      GLN  15  15.312  14.585  22.117
   97    HB3  GLN  15           HB1      GLN  15  13.663  14.096  21.744
   98    HG2  GLN  15           HG2      GLN  15  13.863  15.337  19.542
   99    HG3  GLN  15           HG1      GLN  15  15.574  15.582  19.888
  100   HE21  GLN  15          HE21      GLN  15  13.353  13.524  18.369
  101   HE22  GLN  15          HE22      GLN  15  14.356  12.090  18.274
  102    H    LYS  16           HN       LYS  16  11.948  17.293  23.321
  103    HA   LYS  16           HA       LYS  16  12.695  16.685  26.116
  104    HB2  LYS  16           HB2      LYS  16  14.073  18.611  24.934
  105    HB3  LYS  16           HB1      LYS  16  12.574  19.518  25.058
  106    HG2  LYS  16           HG2      LYS  16  12.723  19.051  27.618
  107    HG3  LYS  16           HG1      LYS  16  14.288  18.327  27.284
  108    HD2  LYS  16           HD2      LYS  16  14.479  20.665  28.073
  109    HD3  LYS  16           HD1      LYS  16  15.163  20.438  26.459
  110    HE2  LYS  16           HE2      LYS  16  13.878  22.552  26.670
  111    HE3  LYS  16           HE1      LYS  16  13.249  21.481  25.420
  112    HZ1  LYS  16           HZ1      LYS  16  11.507  22.444  26.726
  113    HZ2  LYS  16           HZ2      LYS  16  11.543  20.777  26.941
  114    HZ3  LYS  16           HZ3      LYS  16  12.149  21.792  28.137
  115    HN1  NH2  17           H2       NH2  17   9.442  18.584  26.771
  116    HN2  NH2  17           H1       NH2  17  11.111  18.888  27.192
  117    H1   ACE   0           H1       ACE   0  30.360  11.267  15.763
  118    H2   ACE   0           H2       ACE   0  30.100  12.501  14.512
  119    H3   ACE   0           H3       ACE   0  31.753  12.098  15.043
  120    H    ASP   1           HN       ASP   1  29.506  12.106  17.594
  121    HA   ASP   1           HA       ASP   1  29.224  13.329  19.443
  122    HB2  ASP   1           HB2      ASP   1  31.761  13.764  19.125
  123    HB3  ASP   1           HB1      ASP   1  31.288  15.379  18.613
  124    H    ALA   2           HN       ALA   2  29.153  16.172  19.785
  125    HA   ALA   2           HA       ALA   2  27.834  17.502  17.606
  126    HB1  ALA   2           HB1      ALA   2  25.660  17.859  18.799
  127    HB2  ALA   2           HB2      ALA   2  25.901  16.202  18.242
  128    HB3  ALA   2           HB3      ALA   2  26.129  16.598  19.955
  129    H    GLU   3           HN       GLU   3  29.334  17.458  20.711
  130    HA   GLU   3           HA       GLU   3  28.426  19.932  21.733
  131    HB2  GLU   3           HB2      GLU   3  30.910  18.344  22.436
  132    HB3  GLU   3           HB1      GLU   3  30.246  19.706  23.345
  133    HG2  GLU   3           HG2      GLU   3  28.041  18.393  23.480
  134    HG3  GLU   3           HG1      GLU   3  28.935  16.994  22.888
  135    H    PHE   4           HN       PHE   4  30.514  19.486  19.088
  136    HA   PHE   4           HA       PHE   4  32.132  21.848  19.314
  137    HB2  PHE   4           HB2      PHE   4  32.230  21.606  16.816
  138    HB3  PHE   4           HB1      PHE   4  32.692  20.176  17.726
  139    HD1  PHE   4           HD1      PHE   4  29.886  21.653  15.728
  140    HD2  PHE   4           HD2      PHE   4  31.636  18.081  17.404
  141    HE1  PHE   4           HE1      PHE   4  28.282  20.258  14.449
  142    HE2  PHE   4           HE2      PHE   4  30.052  16.699  16.096
  143    HZ   PHE   4           HZ       PHE   4  28.372  17.778  14.621
  144    H    GLY   5           HN       GLY   5  28.747  21.313  18.673
  145    HA2  GLY   5           HA2      GLY   5  28.279  24.240  18.427
  146    HA3  GLY   5           HA1      GLY   5  27.423  23.056  17.415
  147    H    HIS   6           HN       HIS   6  28.150  22.150  20.765
  148    HA   HIS   6           HA       HIS   6  25.452  22.913  21.692
  149    HB2  HIS   6           HB2      HIS   6  24.954  20.782  20.762
  150    HB3  HIS   6           HB1      HIS   6  26.418  20.054  21.360
  151    HD2  HIS   6           HD2      HIS   6  26.562  19.838  24.227
  152    HE1  HIS   6           HE1      HIS   6  22.381  19.259  24.551
  153    HE2  HIS   6           HE2      HIS   6  24.614  19.025  25.745
  154    H    ASP   7           HN       ASP   7  25.406  23.488  23.732
  155    HA   ASP   7           HA       ASP   7  27.173  22.089  25.643
  156    HB2  ASP   7           HB2      ASP   7  27.460  24.008  27.023
  157    HB3  ASP   7           HB1      ASP   7  28.005  24.439  25.407
  158    H    SER   8           HN       SER   8  24.023  23.344  24.702
  159    HA   SER   8           HA       SER   8  22.677  21.680  26.637
  160    HB2  SER   8           HB2      SER   8  21.520  23.441  27.842
  161    HB3  SER   8           HB1      SER   8  23.265  23.518  28.111
  162    HG   SER   8           HG       SER   8  22.502  25.569  27.740
  163    H    GLY   9           HN       GLY   9  20.454  24.013  26.205
  164    HA2  GLY   9           HA2      GLY   9  18.800  24.180  24.419
  165    HA3  GLY   9           HA1      GLY   9  19.289  22.560  23.858
  166    H    PHE  10           HN       PHE  10  19.173  23.142  27.314
  167    HA   PHE  10           HA       PHE  10  16.802  21.454  27.645
  168    HB2  PHE  10           HB2      PHE  10  17.397  21.828  30.131
  169    HB3  PHE  10           HB1      PHE  10  18.288  20.745  29.112
  170    HD1  PHE  10           HD1      PHE  10  18.634  24.486  29.713
  171    HD2  PHE  10           HD2      PHE  10  20.499  20.596  29.730
  172    HE1  PHE  10           HE1      PHE  10  20.711  25.486  30.564
  173    HE2  PHE  10           HE2      PHE  10  22.611  21.627  30.479
  174    HZ   PHE  10           HZ       PHE  10  22.722  24.069  30.946
  175    H    GLU  11           HN       GLU  11  16.675  23.651  30.204
  176    HA   GLU  11           HA       GLU  11  14.167  24.586  29.299
  177    HB2  GLU  11           HB2      GLU  11  13.881  25.544  31.347
  178    HB3  GLU  11           HB1      GLU  11  14.975  24.222  31.699
  179    HG2  GLU  11           HG2      GLU  11  15.650  27.195  31.504
  180    HG3  GLU  11           HG1      GLU  11  15.578  26.214  32.961
  181    H    VAL  12           HN       VAL  12  17.370  26.137  29.147
  182    HA   VAL  12           HA       VAL  12  16.188  28.262  27.464
  183    HB   VAL  12           HB       VAL  12  18.109  28.760  29.052
  184   HG11  VAL  12          HG11      VAL  12  20.381  28.332  28.266
  185   HG12  VAL  12          HG12      VAL  12  19.562  26.794  28.619
  186   HG13  VAL  12          HG13      VAL  12  19.799  27.334  26.939
  187   HG21  VAL  12          HG21      VAL  12  19.179  30.267  27.435
  188   HG22  VAL  12          HG22      VAL  12  18.450  29.375  26.092
  189   HG23  VAL  12          HG23      VAL  12  17.420  30.252  27.242
  190    H    ARG  13           HN       ARG  13  16.248  28.154  25.290
  191    HA   ARG  13           HA       ARG  13  16.900  25.606  23.976
  192    HB2  ARG  13           HB2      ARG  13  15.564  28.209  23.211
  193    HB3  ARG  13           HB1      ARG  13  16.019  27.045  21.976
  194    HG2  ARG  13           HG2      ARG  13  13.597  27.032  22.866
  195    HG3  ARG  13           HG1      ARG  13  14.414  25.517  22.573
  196    HD2  ARG  13           HD2      ARG  13  14.835  25.244  25.010
  197    HD3  ARG  13           HD1      ARG  13  14.026  26.790  25.310
  198    HE   ARG  13           HE       ARG  13  12.424  24.895  23.793
  199   HH11  ARG  13          HH11      ARG  13  13.264  25.837  27.138
  200   HH12  ARG  13          HH12      ARG  13  11.772  25.206  27.786
  201   HH21  ARG  13          HH21      ARG  13  10.536  24.056  24.711
  202   HH22  ARG  13          HH22      ARG  13  10.247  24.201  26.429
  203    H    HIS  14           HN       HIS  14  18.226  25.653  21.950
  204    HA   HIS  14           HA       HIS  14  20.831  26.148  22.498
  205    HB2  HIS  14           HB2      HIS  14  19.297  25.492  20.088
  206    HB3  HIS  14           HB1      HIS  14  20.738  26.414  19.703
  207    HD1  HIS  14           HD1      HIS  14  22.878  24.994  19.478
  208    HD2  HIS  14           HD2      HIS  14  19.884  23.274  21.867
  209    HE1  HIS  14           HE1      HIS  14  23.682  22.652  20.109
  210    H    GLN  15           HN       GLN  15  22.185  27.752  22.666
  211    HA   GLN  15           HA       GLN  15  21.017  30.380  22.580
  212    HB2  GLN  15           HB2      GLN  15  23.734  29.574  23.646
  213    HB3  GLN  15           HB1      GLN  15  22.787  31.012  24.025
  214    HG2  GLN  15           HG2      GLN  15  22.206  29.800  25.868
  215    HG3  GLN  15           HG1      GLN  15  20.980  29.143  24.811
  216   HE21  GLN  15          HE21      GLN  15  23.998  28.591  26.519
  217   HE22  GLN  15          HE22      GLN  15  24.127  26.872  26.217
  218    H    LYS  16           HN       LYS  16  23.894  28.861  21.038
  219    HA   LYS  16           HA       LYS  16  23.763  30.764  18.866
  220    HB2  LYS  16           HB2      LYS  16  25.018  32.047  20.593
  221    HB3  LYS  16           HB1      LYS  16  26.249  30.775  20.624
  222    HG2  LYS  16           HG2      LYS  16  26.938  31.260  18.378
  223    HG3  LYS  16           HG1      LYS  16  25.514  32.278  18.083
  224    HD2  LYS  16           HD2      LYS  16  26.296  33.925  19.717
  225    HD3  LYS  16           HD1      LYS  16  27.706  32.909  20.111
  226    HE2  LYS  16           HE2      LYS  16  28.575  33.153  17.864
  227    HE3  LYS  16           HE1      LYS  16  27.109  33.993  17.328
  228    HZ1  LYS  16           HZ1      LYS  16  28.883  35.522  17.766
  229    HZ2  LYS  16           HZ2      LYS  16  27.620  35.768  18.849
  230    HZ3  LYS  16           HZ3      LYS  16  29.016  34.977  19.351
  231    HN1  NH2  17           H2       NH2  17  25.558  28.455  16.907
  232    HN2  NH2  17           H1       NH2  17  24.819  30.039  17.007