*HEADER    PROTEIN BINDING                         09-APR-14   2MNQ              
*TITLE     1H, 13C, AND 15N CHEMICAL SHIFT ASSIGNMENTS FOR THYMOSIN ALPHA 1      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THYMOSIN ALPHA-1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 2-29;                                         
*COMPND   5 SYNONYM: THYMOSIN ALPHA-1, N-TERMINALLY PROCESSED THYMOSIN ALPHA-1;  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PTMA, TMSA;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    PROTEIN BINDING, HORMONE PEPTIDE, MEMBRANE INTERACTION                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.NEPRAVISHTA, W.MANDALITI, T.ELISEO, P.SINIBALDI VALLEBONA, F.PICA,  
*AUTHOR   2 E.GARACI, M.PACI                                                     
*REVDAT   2   11-MAR-15 2MNQ    1       JRNL                                     
*REVDAT   1   04-MAR-15 2MNQ    0                                                


set message=off echo=off end
restraints dihedral reset
!! { Dihedral Angle Restraints }
!!phi C(i-1)-N(i)-CA(i)-C(i)

! D2 
assign 
      (resid    1   and name C     )
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )     1  -49.00  10.00 2	

! A3 
assign 
      (resid    2   and name C     )
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )     1  -49.00  10.00 2	

! A4 
assign 
      (resid    3   and name C     )
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )     1  -49.00  10.00 2	

! V5 
assign 
      (resid    4   and name C     )
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )     1  -49.00  10.00 2	

! D6 
assign 
      (resid    5   and name C     )
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )     1  -49.00  10.00 2	

! T7 
assign 
      (resid    6   and name C     )
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )     1  -49.00  10.00 2	

! S8 
assign 
      (resid    7   and name C     )
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )     1  -49.00  10.00 2	

! S9 
assign 
      (resid    8   and name C     )
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )     1  -49.00  20.00 2	

! E10 
assign 
      (resid    9   and name C     )
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )     1  -49.00  20.00 2	

! I11 
!assign 
      !(resid    10   and name C     )
      !(resid    11   and name N     )
      !(resid    11   and name CA    )
      !(resid    11   and name C     )     1  -49.00  20.00 2	

! T12 
!assign 
      !(resid    11   and name C     )
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )     1  -63.30  20.00 2	

! T13 
assign 
      (resid    12   and name C     )
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )     1  -66.41  20.00 2	

! K14 
assign 
      (resid    13   and name C     )
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )     1  -64.18  10.00 2	

! D15 
assign 
      (resid    14   and name C     )
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )     1  -64.42  10.00 2	

! L16 
assign 
      (resid    15   and name C     )
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )     1  -65.44  10.00 2	

! K17 
assign 
      (resid    16   and name C     )
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )     1  -58.67  10.00 2	

! E18 
assign 
      (resid    17   and name C     )
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )     1  -65.92  10.00 2	

! K19 
assign 
      (resid    18   and name C     )
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )     1  -62.95  10.00 2	

! K20 
assign 
      (resid    19   and name C     )
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )     1  -63.95  10.00 2	

! E21 
assign 
      (resid    20   and name C     )
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )     1  -63.62  10.00 2	

! V22 
assign 
      (resid    21   and name C     )
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )     1  -49.00  10.00 2	

! V23 
assign 
      (resid    22   and name C     )
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )     1  -49.00  10.00 2	

! E24 
assign 
      (resid    23   and name C     )
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )     1  -49.00  10.00 2	

! E25 
assign 
      (resid    24   and name C     )
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )     1  -49.00  10.00 2	

! A26 
assign 
      (resid    25   and name C     )
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )     1  -49.00  20.00 2	

! E27 
assign 
      (resid    26   and name C     )
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )     1  -49.00  30.00 2

!! { Dihedral Angle Restraints }
!!psi N(i)-CA(i)-C(i)-N(i+1)

! D2 
assign 
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )
      (resid    3   and name N     )      1  -26.00  11.00 2	

! A3 
assign 
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )
      (resid    4   and name N     )      1  -26.00  11.00 2	

! A4 
assign 
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )
      (resid    5   and name N     )      1  -26.00  11.00 2	

! V5 
assign 
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )
      (resid    6   and name N     )      1  -26.00  11.00 2	

! D6 
assign 
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )
      (resid    7   and name N     )      1  -26.00  11.00 2	

! T7 
assign 
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )
      (resid    8   and name N     )      1  -26.00  11.00 2	

! S8 
assign 
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )
      (resid    9   and name N     )      1  -26.00  11.00 2	

! S9 
assign 
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )
      (resid    10   and name N     )      1  -26.00  21.00 2	

! E10 
!assign 
      !(resid    10   and name N     )
      !(resid    10   and name CA    )
      !(resid    10   and name C     )
      !(resid    11   and name N     )      1  -26.00  21.00 2	

! I11 
!assign 
      !(resid    11   and name N     )
      !(resid    11   and name CA    )
      !(resid    11   and name C     )
      !(resid    12   and name N     )      1  -26.00  21.00 2	

! T12 
!assign 
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )
      !(resid    13   and name N     )      1  -35.59  21.00 2	

! T13 
assign 
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )
      (resid    14   and name N     )      1  -41.09  21.00 2	

! K14 
assign 
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )
      (resid    15   and name N     )      1  -41.13  11.00 2	

! D15 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  -38.92  11.00 2	

! L16 
assign 
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )
      (resid    17   and name N     )      1  -42.22  11.00 2	

! K17 
assign 
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )
      (resid    18   and name N     )      1  -44.07  11.00 2	

! E18 
assign 
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )
      (resid    19   and name N     )      1  -41.57  11.00 2	

! K19 
assign 
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )
      (resid    20   and name N     )      1  -39.77  11.00 2	

! K20 
assign 
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )
      (resid    21   and name N     )      1  -41.44  11.00 2	

! E21 
assign 
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )
      (resid    22   and name N     )      1  -42.54  11.00 2	

! V22 
assign 
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )
      (resid    23   and name N     )      1  -26.00  11.00 2	

! V23 
assign 
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )
      (resid    24   and name N     )      1  -26.00  11.00 2	

! E24 
assign 
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )
      (resid    25   and name N     )      1  -26.00  11.00 2	

! E25 
assign 
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )
      (resid    26   and name N     )      1  -26.00  11.00 2	

! A26 
assign 
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )
      (resid    27   and name N     )      1  -26.00  21.00 2	

! E27 
assign 
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )
      (resid    28   and name N     )      1  -26.00  32.00 2
end

set message=on echo=on end	




assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HT1) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.6
assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.55
assign (RESID 1 AND NAME HT1) (RESID 2 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.12
assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HT1) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.1
assign (RESID 1 AND NAME HA) (RESID 2 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.125
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.33
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.201
assign (RESID 2 AND NAME HN) (RESID 3 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.2
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.72
assign (RESID 3 AND NAME HN) (RESID 4 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.37
assign (RESID 4 AND NAME HB#) (RESID 5 AND NAME HN) 4.28 2.48 0.60  !     brk_datasets_20_1_2rr.518
assign (RESID 4 AND NAME HN) (RESID 5 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.24
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.47
assign (RESID 6 AND NAME HN) (RESID 5 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.27
assign (RESID 5 AND NAME HA) (RESID 6 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.147
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.182
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.183
assign (RESID 6 AND NAME HA) (RESID 7 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.115
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.75
assign (RESID 8 AND NAME HA) (RESID 9 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.119
assign (RESID 8 AND NAME HN) (RESID 9 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.16
assign (RESID 9 AND NAME HN) (RESID 10 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.11
assign (RESID 9 AND NAME HA) (RESID 10 AND NAME HN) 3.04 1.24 1.15  !     brk_datasets_20_1_2rr.123
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.28
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.190
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.79
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.80
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.189
assign (RESID 12 AND NAME HN) (RESID 11 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.88
assign (RESID 12 AND NAME HN) (RESID 13 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.32
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.71
assign (RESID 15 AND NAME HN) (RESID 14 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.7
assign (RESID 15 AND NAME HN) (RESID 14 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.107
assign (RESID 14 AND NAME HN) (RESID 15 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.21
assign (RESID 16 AND NAME HN) (RESID 15 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.42
assign (RESID 15 AND NAME HN) (RESID 16 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.8
assign (RESID 15 AND NAME HB#) (RESID 16 AND NAME HN) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.502
assign (RESID 16 AND NAME HN) (RESID 17 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.43
assign (RESID 17 AND NAME HN) (RESID 16 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.31
assign (RESID 17 AND NAME HN) (RESID 16 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.192
assign (RESID 16 AND NAME HN) (RESID 17 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.44
assign (RESID 16 AND NAME HA) (RESID 17 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.141
assign (RESID 18 AND NAME HN) (RESID 17 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.104
assign (RESID 17 AND NAME HA) (RESID 18 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.146
assign (RESID 18 AND NAME HN) (RESID 17 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.236
assign (RESID 17 AND NAME HN) (RESID 18 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.30
assign (RESID 18 AND NAME HN) (RESID 17 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.51
assign (RESID 19 AND NAME HN) (RESID 18 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.97
assign (RESID 18 AND NAME HN) (RESID 19 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.52
assign (RESID 19 AND NAME HN) (RESID 18 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.213
assign (RESID 20 AND NAME HN) (RESID 19 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.210
assign (RESID 22 AND NAME HN) (RESID 21 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.226
assign (RESID 21 AND NAME HN) (RESID 22 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.20
assign (RESID 24 AND NAME HN) (RESID 23 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.36
assign (RESID 23 AND NAME HA) (RESID 24 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.148
assign (RESID 25 AND NAME HN) (RESID 24 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.90
assign (RESID 25 AND NAME HN) (RESID 24 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.204
assign (RESID 25 AND NAME HA) (RESID 26 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.127
assign (RESID 25 AND NAME HB#) (RESID 26 AND NAME HN) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.495
assign (RESID 26 AND NAME HA) (RESID 27 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.131
assign (RESID 26 AND NAME HA) (RESID 27 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.130
assign (RESID 27 AND NAME HN) (RESID 26 AND NAME HB#) 3.50 1.70 0.20  !     brk_datasets_20_1_2rr.207
assign (RESID 27 AND NAME HN) (RESID 26 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.91
assign (RESID 27 AND NAME HA) (RESID 28 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.129
assign (RESID 27 AND NAME HN) (RESID 28 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.38
assign (RESID 28 AND NAME HN) (RESID 27 AND NAME HN) 2.40 0.60 0.40  !     brk_datasets_20_1_2rr.48
assign (RESID 28 AND NAME HN) (RESID 27 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.102
assign (RESID 4 AND NAME HN) (RESID 1 AND NAME HA) 3.40 1.70 0.50  !     brk_datasets_20_1_2rr.69
assign (RESID 1 AND NAME HT1) (RESID 3 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.15
assign (RESID 4 AND NAME HB#) (RESID 1 AND NAME HA) 4.10 2.30 0.30  !     brk_datasets_20_1_2rr.365
assign (RESID 2 AND NAME HN) (RESID 4 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.4
assign (RESID 4 AND NAME HN) (RESID 2 AND NAME HB2) 3.75 1.95 1.76  !     brk_datasets_20_1_2rr.176
assign (RESID 4 AND NAME HB#) (RESID 2 AND NAME HA) 4.74 2.94 1.26  !     brk_datasets_20_1_2rr.346
assign (RESID 2 AND NAME HN) (RESID 4 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.3
assign (RESID 6 AND NAME HN) (RESID 4 AND NAME HB#) 3.12 1.32 2.88  !     brk_datasets_20_1_2rr.187
assign (RESID 8 AND NAME HN) (RESID 4 AND NAME HB#) 4.03 2.23 1.97  !     brk_datasets_20_1_2rr.168
assign (RESID 6 AND NAME HB#) (RESID 4 AND NAME HA) 4.19 2.39 1.81  !     brk_datasets_20_1_2rr.369
assign (RESID 8 AND NAME HN) (RESID 5 AND NAME HN) 4.20 2.40 0.30  !     brk_datasets_20_1_2rr.19
assign (RESID 7 AND NAME HN) (RESID 5 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.82
assign (RESID 8 AND NAME HN) (RESID 5 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.65
assign (RESID 9 AND NAME HN) (RESID 7 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.60
assign (RESID 9 AND NAME HN) (RESID 7 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.106
assign (RESID 10 AND NAME HN) (RESID 8 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.114
assign (RESID 8 AND NAME HA) (RESID 11 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.121
assign (RESID 10 AND NAME HN) (RESID 8 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.113
assign (RESID 9 AND NAME HA) (RESID 11 AND NAME HN) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.124
assign (RESID 14 AND NAME HB#) (RESID 12 AND NAME HA) 4.68 2.88 1.32  !     brk_datasets_20_1_2rr.436
assign (RESID 16 AND NAME HN) (RESID 12 AND NAME HA) 4.00 2.60 0.20  !     brk_datasets_20_1_2rr.109
assign (RESID 15 AND NAME HN) (RESID 13 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.57
assign (RESID 16 AND NAME HN) (RESID 14 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.96
assign (RESID 14 AND NAME HA) (RESID 16 AND NAME HB#) 2.83 1.03 2.00  !     brk_datasets_20_1_2rr.285
assign (RESID 14 AND NAME HA) (RESID 17 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.132
assign (RESID 14 AND NAME HN) (RESID 16 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.23
assign (RESID 17 AND NAME HN) (RESID 15 AND NAME HB#) 3.37 1.57 1.42  !     brk_datasets_20_1_2rr.197
assign (RESID 17 AND NAME HN) (RESID 15 AND NAME HB#) 3.42 1.62 1.46  !     brk_datasets_20_1_2rr.196
assign (RESID 16 AND NAME HA) (RESID 19 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.142
assign (RESID 17 AND NAME HA) (RESID 20 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.145
assign (RESID 21 AND NAME HN) (RESID 17 AND NAME HA) 4.00 2.60 0.20  !     brk_datasets_20_1_2rr.67
assign (RESID 19 AND NAME HN) (RESID 17 AND NAME HB#) 3.30 1.50 2.67  !     brk_datasets_20_1_2rr.220
assign (RESID 21 AND NAME HN) (RESID 18 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.66
assign (RESID 20 AND NAME HN) (RESID 18 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.46
assign (RESID 22 AND NAME HN) (RESID 19 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.99
assign (RESID 22 AND NAME HN) (RESID 20 AND NAME HB#) 3.76 1.96 1.76  !     brk_datasets_20_1_2rr.224
assign (RESID 22 AND NAME HN) (RESID 20 AND NAME HA) 4.13 2.33 0.27  !     brk_datasets_20_1_2rr.98
assign (RESID 20 AND NAME HA) (RESID 23 AND NAME HN) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.143
assign (RESID 26 AND NAME HN) (RESID 23 AND NAME HA) 3.00 1.20 0.50  !     brk_datasets_20_1_2rr.94
assign (RESID 26 AND NAME HB#) (RESID 23 AND NAME HA) 4.10 2.30 0.30  !     brk_datasets_20_1_2rr.431
assign (RESID 24 AND NAME HA) (RESID 26 AND NAME HB#) 3.51 1.71 1.54  !     brk_datasets_20_1_2rr.275
assign (RESID 26 AND NAME HN) (RESID 24 AND NAME HB#) 3.28 1.48 1.34  !     brk_datasets_20_1_2rr.206
assign (RESID 26 AND NAME HN) (RESID 28 AND NAME HN) 4.00 2.20 0.20  !     brk_datasets_20_1_2rr.41
assign (RESID 28 AND NAME HN) (RESID 26 AND NAME HB#) 3.91 2.11 1.91  !     brk_datasets_20_1_2rr.230



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           H1       ACE   0   8.284  -0.748 -13.187
    2    H2   ACE   0           H2       ACE   0   7.569   0.507 -12.175
    3    H3   ACE   0           H3       ACE   0   7.069  -1.173 -11.981
    4    H    SER   1           H        SER   1   9.690   1.125 -11.484
    5    HA   SER   1           HA       SER   1  11.561  -0.597 -10.277
    6    HB2  SER   1           HB2      SER   1  12.750   1.303 -10.220
    7    HB3  SER   1           HB3      SER   1  11.330   2.170 -10.796
    8    HG   SER   1           HG       SER   1  12.378   2.711  -8.632
    9    H    ASP   2           H        ASP   2   8.669   0.937  -9.059
   10    HA   ASP   2           HA       ASP   2   9.135   0.761  -6.301
   11    HB2  ASP   2           HB2      ASP   2   7.240   1.991  -7.236
   12    HB3  ASP   2           HB3      ASP   2   6.531   0.485  -7.817
   13    H    ALA   3           H        ALA   3   8.009  -1.640  -8.624
   14    HA   ALA   3           HA       ALA   3   7.118  -3.625  -6.876
   15    HB1  ALA   3           HB1      ALA   3   7.011  -4.946  -8.725
   16    HB2  ALA   3           HB2      ALA   3   8.655  -4.552  -9.226
   17    HB3  ALA   3           HB3      ALA   3   7.337  -3.432  -9.571
   18    H    ALA   4           H        ALA   4  10.302  -2.465  -7.474
   19    HA   ALA   4           HA       ALA   4  11.954  -4.602  -6.968
   20    HB1  ALA   4           HB1      ALA   4  13.547  -2.983  -6.022
   21    HB2  ALA   4           HB2      ALA   4  12.255  -1.791  -5.883
   22    HB3  ALA   4           HB3      ALA   4  12.779  -2.342  -7.475
   23    H    VAL   5           H        VAL   5   9.591  -3.317  -4.897
   24    HA   VAL   5           HA       VAL   5  10.656  -3.722  -2.358
   25    HB   VAL   5           HB       VAL   5   8.568  -2.614  -2.491
   26   HG11  VAL   5          HG11      VAL   5   7.592  -5.087  -3.949
   27   HG12  VAL   5          HG12      VAL   5   7.798  -3.473  -4.630
   28   HG13  VAL   5          HG13      VAL   5   6.546  -3.768  -3.423
   29   HG21  VAL   5          HG21      VAL   5   7.943  -5.409  -1.490
   30   HG22  VAL   5          HG22      VAL   5   7.164  -3.908  -0.990
   31   HG23  VAL   5          HG23      VAL   5   8.850  -4.210  -0.567
   32    H    ASP   6           H        ASP   6   9.159  -6.017  -4.602
   33    HA   ASP   6           HA       ASP   6   9.032  -8.213  -2.834
   34    HB2  ASP   6           HB2      ASP   6   9.347  -8.057  -5.836
   35    HB3  ASP   6           HB3      ASP   6   9.177  -9.584  -4.971
   36    H    THR   7           H        THR   7  11.569  -6.958  -4.922
   37    HA   THR   7           HA       THR   7  13.468  -9.013  -4.514
   38    HB   THR   7           HB       THR   7  13.898  -6.077  -5.129
   39    HG1  THR   7           HG1      THR   7  14.328  -7.865  -7.103
   40   HG21  THR   7          HG21      THR   7  16.048  -6.640  -4.647
   41   HG22  THR   7          HG22      THR   7  15.994  -7.445  -6.215
   42   HG23  THR   7          HG23      THR   7  15.716  -8.370  -4.739
   43    H    SER   8           H        SER   8  12.611  -6.107  -2.735
   44    HA   SER   8           HA       SER   8  14.673  -5.706  -1.010
   45    HB2  SER   8           HB2      SER   8  13.187  -4.551   0.272
   46    HB3  SER   8           HB3      SER   8  12.111  -4.842  -1.092
   47    HG   SER   8           HG       SER   8  11.388  -5.461   1.125
   48    H    SER   9           H        SER   9  12.943  -8.594  -1.387
   49    HA   SER   9           HA       SER   9  12.972  -9.758   1.141
   50    HB2  SER   9           HB2      SER   9  12.174 -10.637  -1.243
   51    HB3  SER   9           HB3      SER   9  13.738 -11.445  -1.197
   52    HG   SER   9           HG       SER   9  11.466 -11.817   0.363
   53    H    GLU  10           H        GLU  10  15.569  -9.546  -1.265
   54    HA   GLU  10           HA       GLU  10  17.429 -11.145   0.185
   55    HB2  GLU  10           HB2      GLU  10  17.333  -9.920  -2.332
   56    HB3  GLU  10           HB3      GLU  10  18.685  -9.149  -1.503
   57    HG2  GLU  10           HG2      GLU  10  18.314 -12.151  -1.552
   58    HG3  GLU  10           HG3      GLU  10  19.233 -11.291  -2.786
   59    H    ILE  11           H        ILE  11  16.187  -8.083   0.784
   60    HA   ILE  11           HA       ILE  11  16.717  -6.465   2.328
   61    HB   ILE  11           HB       ILE  11  18.836  -8.406   3.272
   62   HG12  ILE  11          HG12      ILE  11  16.601  -9.475   3.154
   63   HG13  ILE  11          HG13      ILE  11  17.121  -9.244   4.822
   64   HG21  ILE  11          HG21      ILE  11  18.181  -5.777   4.049
   65   HG22  ILE  11          HG22      ILE  11  19.208  -6.918   4.917
   66   HG23  ILE  11          HG23      ILE  11  17.485  -6.826   5.284
   67   HD11  ILE  11          HD11      ILE  11  14.847  -8.056   3.391
   68   HD12  ILE  11          HD12      ILE  11  15.808  -6.874   4.278
   69   HD13  ILE  11          HD13      ILE  11  15.105  -8.252   5.124
   70    H    THR  12           H        THR  12  17.475  -5.178   0.527
   71    HA   THR  12           HA       THR  12  20.270  -4.446   0.855
   72    HB   THR  12           HB       THR  12  19.694  -4.590  -1.983
   73    HG1  THR  12           HG1      THR  12  20.096  -7.060  -1.650
   74   HG21  THR  12          HG21      THR  12  21.797  -5.990  -0.314
   75   HG22  THR  12          HG22      THR  12  21.920  -4.313  -0.845
   76   HG23  THR  12          HG23      THR  12  21.883  -5.614  -2.035
   77    H    THR  13           H        THR  13  17.144  -3.877  -0.677
   78    HA   THR  13           HA       THR  13  17.506  -1.398  -1.804
   79    HB   THR  13           HB       THR  13  15.096  -1.595  -0.103
   80    HG1  THR  13           HG1      THR  13  15.623  -3.469  -2.166
   81   HG21  THR  13          HG21      THR  13  15.241  -1.487  -3.105
   82   HG22  THR  13          HG22      THR  13  15.652  -0.066  -2.146
   83   HG23  THR  13          HG23      THR  13  14.041  -0.774  -2.027
   84    H    LYS  14           H        LYS  14  17.136  -2.237   1.600
   85    HA   LYS  14           HA       LYS  14  17.221   0.485   2.525
   86    HB2  LYS  14           HB2      LYS  14  17.558  -0.623   4.770
   87    HB3  LYS  14           HB3      LYS  14  16.099  -1.118   3.912
   88    HG2  LYS  14           HG2      LYS  14  16.998  -3.207   3.327
   89    HG3  LYS  14           HG3      LYS  14  18.657  -2.672   3.589
   90    HD2  LYS  14           HD2      LYS  14  16.748  -2.655   5.902
   91    HD3  LYS  14           HD3      LYS  14  17.452  -4.188   5.389
   92    HE2  LYS  14           HE2      LYS  14  19.445  -2.057   5.535
   93    HE3  LYS  14           HE3      LYS  14  18.648  -2.331   7.083
   94    HZ1  LYS  14           HZ1      LYS  14  19.447  -4.696   5.582
   95    HZ2  LYS  14           HZ2      LYS  14  19.480  -4.406   7.256
   96    HZ3  LYS  14           HZ3      LYS  14  20.700  -3.772   6.256
   97    H    ASP  15           H        ASP  15  19.531  -2.124   2.056
   98    HA   ASP  15           HA       ASP  15  21.725  -1.137   3.459
   99    HB2  ASP  15           HB2      ASP  15  21.597  -2.666   0.860
  100    HB3  ASP  15           HB3      ASP  15  23.094  -2.346   1.731
  101    H    LEU  16           H        LEU  16  20.390  -0.219   0.357
  102    HA   LEU  16           HA       LEU  16  22.487   1.267  -0.714
  103    HB2  LEU  16           HB2      LEU  16  20.460   0.910  -1.991
  104    HB3  LEU  16           HB3      LEU  16  19.502   1.781  -0.793
  105    HG   LEU  16           HG       LEU  16  21.811   3.275  -1.886
  106   HD11  LEU  16          HD11      LEU  16  20.983   2.091  -3.904
  107   HD12  LEU  16          HD12      LEU  16  20.663   3.823  -3.984
  108   HD13  LEU  16          HD13      LEU  16  19.361   2.704  -3.582
  109   HD21  LEU  16          HD21      LEU  16  20.430   5.097  -1.483
  110   HD22  LEU  16          HD22      LEU  16  19.770   3.948  -0.319
  111   HD23  LEU  16          HD23      LEU  16  18.961   4.199  -1.866
  112    H    LYS  17           H        LYS  17  20.312   1.912   1.915
  113    HA   LYS  17           HA       LYS  17  20.886   4.705   2.186
  114    HB2  LYS  17           HB2      LYS  17  19.874   2.745   4.262
  115    HB3  LYS  17           HB3      LYS  17  19.798   4.504   4.370
  116    HG2  LYS  17           HG2      LYS  17  18.665   3.815   1.867
  117    HG3  LYS  17           HG3      LYS  17  17.977   2.697   3.046
  118    HD2  LYS  17           HD2      LYS  17  17.115   4.459   4.379
  119    HD3  LYS  17           HD3      LYS  17  18.121   5.667   3.578
  120    HE2  LYS  17           HE2      LYS  17  15.909   5.926   2.685
  121    HE3  LYS  17           HE3      LYS  17  16.865   5.129   1.436
  122    HZ1  LYS  17           HZ1      LYS  17  15.792   3.168   3.122
  123    HZ2  LYS  17           HZ2      LYS  17  15.461   3.440   1.478
  124    HZ3  LYS  17           HZ3      LYS  17  14.533   4.212   2.673
  125    H    GLU  18           H        GLU  18  22.063   1.772   3.763
  126    HA   GLU  18           HA       GLU  18  23.916   3.092   5.466
  127    HB2  GLU  18           HB2      GLU  18  23.098   0.768   5.838
  128    HB3  GLU  18           HB3      GLU  18  24.025   0.249   4.430
  129    HG2  GLU  18           HG2      GLU  18  26.103   0.853   5.469
  130    HG3  GLU  18           HG3      GLU  18  25.272   1.685   6.784
  131    H    LYS  19           H        LYS  19  24.167   1.568   2.283
  132    HA   LYS  19           HA       LYS  19  26.926   1.824   1.894
  133    HB2  LYS  19           HB2      LYS  19  24.801   0.921   0.379
  134    HB3  LYS  19           HB3      LYS  19  25.338   2.347  -0.511
  135    HG2  LYS  19           HG2      LYS  19  27.581   1.502  -0.676
  136    HG3  LYS  19           HG3      LYS  19  27.231   0.189   0.448
  137    HD2  LYS  19           HD2      LYS  19  25.884  -0.953  -1.114
  138    HD3  LYS  19           HD3      LYS  19  25.680   0.482  -2.120
  139    HE2  LYS  19           HE2      LYS  19  27.312  -1.290  -2.995
  140    HE3  LYS  19           HE3      LYS  19  27.921   0.363  -2.922
  141    HZ1  LYS  19           HZ1      LYS  19  28.283  -1.262  -0.535
  142    HZ2  LYS  19           HZ2      LYS  19  29.327  -0.126  -1.248
  143    HZ3  LYS  19           HZ3      LYS  19  29.215  -1.697  -1.884
  144    H    LYS  20           H        LYS  20  24.305   4.146   1.531
  145    HA   LYS  20           HA       LYS  20  25.963   6.168   0.326
  146    HB2  LYS  20           HB2      LYS  20  23.278   5.826   0.450
  147    HB3  LYS  20           HB3      LYS  20  23.503   6.975   1.770
  148    HG2  LYS  20           HG2      LYS  20  23.237   8.393  -0.075
  149    HG3  LYS  20           HG3      LYS  20  24.993   8.267   0.049
  150    HD2  LYS  20           HD2      LYS  20  25.037   6.546  -1.674
  151    HD3  LYS  20           HD3      LYS  20  23.274   6.527  -1.743
  152    HE2  LYS  20           HE2      LYS  20  24.355   7.885  -3.572
  153    HE3  LYS  20           HE3      LYS  20  23.216   8.794  -2.580
  154    HZ1  LYS  20           HZ1      LYS  20  25.716   8.935  -1.355
  155    HZ2  LYS  20           HZ2      LYS  20  24.837  10.192  -2.084
  156    HZ3  LYS  20           HZ3      LYS  20  25.947   9.286  -2.998
  157    H    GLU  21           H        GLU  21  24.876   5.317   3.547
  158    HA   GLU  21           HA       GLU  21  25.806   7.647   4.870
  159    HB2  GLU  21           HB2      GLU  21  24.195   6.150   5.919
  160    HB3  GLU  21           HB3      GLU  21  25.374   4.838   5.912
  161    HG2  GLU  21           HG2      GLU  21  26.604   7.110   7.128
  162    HG3  GLU  21           HG3      GLU  21  25.023   6.889   7.874
  163    H    VAL  22           H        VAL  22  27.307   4.471   4.250
  164    HA   VAL  22           HA       VAL  22  29.656   4.924   5.744
  165    HB   VAL  22           HB       VAL  22  30.668   3.182   4.210
  166   HG11  VAL  22          HG11      VAL  22  29.766   2.214   6.111
  167   HG12  VAL  22          HG12      VAL  22  28.725   1.488   4.886
  168   HG13  VAL  22          HG13      VAL  22  28.159   2.878   5.812
  169   HG21  VAL  22          HG21      VAL  22  27.903   3.402   3.021
  170   HG22  VAL  22          HG22      VAL  22  28.973   2.034   2.736
  171   HG23  VAL  22          HG23      VAL  22  29.432   3.646   2.183
  172    H    VAL  23           H        VAL  23  28.652   6.097   2.628
  173    HA   VAL  23           HA       VAL  23  30.970   6.635   1.286
  174    HB   VAL  23           HB       VAL  23  28.524   7.347   0.757
  175   HG11  VAL  23          HG11      VAL  23  27.874   9.536   1.381
  176   HG12  VAL  23          HG12      VAL  23  29.504   9.963   1.902
  177   HG13  VAL  23          HG13      VAL  23  28.536   8.845   2.863
  178   HG21  VAL  23          HG21      VAL  23  30.691   7.751  -0.587
  179   HG22  VAL  23          HG22      VAL  23  30.662   9.379   0.090
  180   HG23  VAL  23          HG23      VAL  23  29.331   8.821  -0.923
  181    H    GLU  24           H        GLU  24  29.840   8.079   4.251
  182    HA   GLU  24           HA       GLU  24  31.513  10.336   4.364
  183    HB2  GLU  24           HB2      GLU  24  29.936   8.734   6.258
  184    HB3  GLU  24           HB3      GLU  24  31.341   9.520   6.976
  185    HG2  GLU  24           HG2      GLU  24  29.624  11.137   5.139
  186    HG3  GLU  24           HG3      GLU  24  29.010  10.795   6.755
  187    H    GLU  25           H        GLU  25  32.047   6.952   5.165
  188    HA   GLU  25           HA       GLU  25  34.521   7.167   6.467
  189    HB2  GLU  25           HB2      GLU  25  32.993   5.097   6.119
  190    HB3  GLU  25           HB3      GLU  25  33.867   4.899   4.600
  191    HG2  GLU  25           HG2      GLU  25  35.000   3.586   6.286
  192    HG3  GLU  25           HG3      GLU  25  36.016   4.976   5.904
  193    H    ALA  26           H        ALA  26  33.645   7.845   3.261
  194    HA   ALA  26           HA       ALA  26  35.737   7.151   1.653
  195    HB1  ALA  26           HB1      ALA  26  35.426   9.516   0.624
  196    HB2  ALA  26           HB2      ALA  26  34.141   9.695   1.819
  197    HB3  ALA  26           HB3      ALA  26  34.054   8.408   0.616
  198    H    GLU  27           H        GLU  27  35.802   9.342   4.347
  199    HA   GLU  27           HA       GLU  27  38.257  10.661   3.701
  200    HB2  GLU  27           HB2      GLU  27  36.701  10.303   6.264
  201    HB3  GLU  27           HB3      GLU  27  38.232  11.176   6.205
  202    HG2  GLU  27           HG2      GLU  27  37.351  12.794   4.672
  203    HG3  GLU  27           HG3      GLU  27  35.898  11.835   4.397
  204    H    ASN  28           H        ASN  28  37.740   7.511   4.147
  205    HA   ASN  28           HA       ASN  28  39.067   5.715   4.674
  206    HB2  ASN  28           HB2      ASN  28  40.755   6.825   3.316
  207    HB3  ASN  28           HB3      ASN  28  41.226   7.837   4.681
  208   HD21  ASN  28          HD21      ASN  28  40.395   4.404   5.053
  209   HD22  ASN  28          HD22      ASN  28  41.964   3.895   5.453
  Start of MODEL    2
    1    H1   ACE   0           H1       ACE   0  19.379 -25.865  -5.268
    2    H2   ACE   0           H2       ACE   0  17.793 -26.489  -4.815
    3    H3   ACE   0           H3       ACE   0  19.006 -26.181  -3.573
    4    H    SER   1           H        SER   1  16.769 -25.005  -2.980
    5    HA   SER   1           HA       SER   1  16.161 -22.531  -4.192
    6    HB2  SER   1           HB2      SER   1  15.564 -23.809  -1.559
    7    HB3  SER   1           HB3      SER   1  15.269 -22.082  -1.736
    8    HG   SER   1           HG       SER   1  13.672 -23.945  -2.463
    9    H    ASP   2           H        ASP   2  18.736 -23.497  -2.137
   10    HA   ASP   2           HA       ASP   2  19.360 -21.156  -0.761
   11    HB2  ASP   2           HB2      ASP   2  21.415 -22.981  -2.012
   12    HB3  ASP   2           HB3      ASP   2  21.568 -22.025  -0.539
   13    H    ALA   3           H        ALA   3  20.027 -22.082  -4.099
   14    HA   ALA   3           HA       ALA   3  21.793 -20.010  -4.782
   15    HB1  ALA   3           HB1      ALA   3  21.266 -20.517  -7.070
   16    HB2  ALA   3           HB2      ALA   3  19.730 -21.253  -6.609
   17    HB3  ALA   3           HB3      ALA   3  21.249 -22.038  -6.175
   18    H    ALA   4           H        ALA   4  18.337 -20.050  -4.355
   19    HA   ALA   4           HA       ALA   4  17.456 -17.890  -5.804
   20    HB1  ALA   4           HB1      ALA   4  15.701 -17.639  -4.190
   21    HB2  ALA   4           HB2      ALA   4  16.678 -18.386  -2.925
   22    HB3  ALA   4           HB3      ALA   4  16.083 -19.359  -4.271
   23    H    VAL   5           H        VAL   5  19.367 -17.901  -2.869
   24    HA   VAL   5           HA       VAL   5  19.218 -15.382  -1.903
   25    HB   VAL   5           HB       VAL   5  21.585 -15.563  -1.275
   26   HG11  VAL   5          HG11      VAL   5  21.270 -18.224  -0.642
   27   HG12  VAL   5          HG12      VAL   5  19.608 -17.719  -0.945
   28   HG13  VAL   5          HG13      VAL   5  20.575 -16.885   0.271
   29   HG21  VAL   5          HG21      VAL   5  22.579 -16.383  -3.305
   30   HG22  VAL   5          HG22      VAL   5  21.541 -17.809  -3.309
   31   HG23  VAL   5          HG23      VAL   5  22.808 -17.643  -2.093
   32    H    ASP   6           H        ASP   6  20.643 -16.400  -4.944
   33    HA   ASP   6           HA       ASP   6  22.090 -14.095  -5.590
   34    HB2  ASP   6           HB2      ASP   6  22.190 -16.070  -7.012
   35    HB3  ASP   6           HB3      ASP   6  20.477 -15.916  -7.397
   36    H    THR   7           H        THR   7  18.665 -14.854  -5.878
   37    HA   THR   7           HA       THR   7  17.862 -12.445  -7.139
   38    HB   THR   7           HB       THR   7  15.598 -13.011  -6.231
   39    HG1  THR   7           HG1      THR   7  16.273 -15.464  -5.368
   40   HG21  THR   7          HG21      THR   7  16.649 -14.012  -8.341
   41   HG22  THR   7          HG22      THR   7  15.297 -14.902  -7.638
   42   HG23  THR   7          HG23      THR   7  16.951 -15.456  -7.375
   43    H    SER   8           H        SER   8  18.355 -13.431  -3.794
   44    HA   SER   8           HA       SER   8  17.177 -11.264  -2.476
   45    HB2  SER   8           HB2      SER   8  19.706 -12.655  -1.591
   46    HB3  SER   8           HB3      SER   8  18.498 -11.871  -0.577
   47    HG   SER   8           HG       SER   8  17.201 -13.604  -2.043
   48    H    SER   9           H        SER   9  20.300 -11.522  -4.062
   49    HA   SER   9           HA       SER   9  21.574  -9.272  -3.011
   50    HB2  SER   9           HB2      SER   9  23.150  -9.672  -4.591
   51    HB3  SER   9           HB3      SER   9  22.222 -11.140  -4.879
   52    HG   SER   9           HG       SER   9  22.333 -10.193  -6.834
   53    H    GLU  10           H        GLU  10  19.267  -9.537  -5.688
   54    HA   GLU  10           HA       GLU  10  19.421  -6.899  -6.627
   55    HB2  GLU  10           HB2      GLU  10  17.251  -8.981  -6.660
   56    HB3  GLU  10           HB3      GLU  10  16.965  -7.367  -7.311
   57    HG2  GLU  10           HG2      GLU  10  18.383  -7.680  -9.085
   58    HG3  GLU  10           HG3      GLU  10  19.479  -8.705  -8.160
   59    H    ILE  11           H        ILE  11  18.046  -8.192  -3.739
   60    HA   ILE  11           HA       ILE  11  16.434  -5.793  -3.254
   61    HB   ILE  11           HB       ILE  11  16.656  -8.494  -1.974
   62   HG12  ILE  11          HG12      ILE  11  14.307  -6.748  -2.783
   63   HG13  ILE  11          HG13      ILE  11  15.016  -8.007  -3.795
   64   HG21  ILE  11          HG21      ILE  11  16.738  -7.241   0.003
   65   HG22  ILE  11          HG22      ILE  11  15.002  -7.428  -0.241
   66   HG23  ILE  11          HG23      ILE  11  15.798  -5.916  -0.680
   67   HD11  ILE  11          HD11      ILE  11  13.192  -8.260  -1.515
   68   HD12  ILE  11          HD12      ILE  11  14.600  -9.316  -1.393
   69   HD13  ILE  11          HD13      ILE  11  13.545  -9.411  -2.802
   70    H    THR  12           H        THR  12  17.585  -4.092  -2.564
   71    HA   THR  12           HA       THR  12  18.784  -4.023  -0.032
   72    HB   THR  12           HB       THR  12  20.593  -5.344  -0.858
   73    HG1  THR  12           HG1      THR  12  21.231  -2.584  -0.949
   74   HG21  THR  12          HG21      THR  12  21.792  -4.804  -2.922
   75   HG22  THR  12          HG22      THR  12  20.748  -3.407  -3.185
   76   HG23  THR  12          HG23      THR  12  20.078  -5.036  -3.267
   77    H    THR  13           H        THR  13  17.088  -2.498  -1.935
   78    HA   THR  13           HA       THR  13  18.480  -0.139  -2.722
   79    HB   THR  13           HB       THR  13  15.531  -0.599  -2.199
   80    HG1  THR  13           HG1      THR  13  15.816  -0.385  -4.670
   81   HG21  THR  13          HG21      THR  13  16.032   1.772  -2.076
   82   HG22  THR  13          HG22      THR  13  15.268   1.442  -3.631
   83   HG23  THR  13          HG23      THR  13  17.013   1.678  -3.539
   84    H    LYS  14           H        LYS  14  16.338  -0.884   0.025
   85    HA   LYS  14           HA       LYS  14  16.728   1.627   1.322
   86    HB2  LYS  14           HB2      LYS  14  16.090  -0.524   3.154
   87    HB3  LYS  14           HB3      LYS  14  15.097   0.848   2.662
   88    HG2  LYS  14           HG2      LYS  14  13.896  -1.076   1.938
   89    HG3  LYS  14           HG3      LYS  14  14.668  -0.441   0.486
   90    HD2  LYS  14           HD2      LYS  14  15.375  -2.603   0.251
   91    HD3  LYS  14           HD3      LYS  14  16.632  -2.085   1.375
   92    HE2  LYS  14           HE2      LYS  14  15.886  -3.897   2.566
   93    HE3  LYS  14           HE3      LYS  14  14.699  -2.728   3.147
   94    HZ1  LYS  14           HZ1      LYS  14  14.200  -4.272   0.685
   95    HZ2  LYS  14           HZ2      LYS  14  13.082  -3.535   1.731
   96    HZ3  LYS  14           HZ3      LYS  14  13.883  -4.958   2.203
   97    H    ASP  15           H        ASP  15  18.395  -1.439   1.329
   98    HA   ASP  15           HA       ASP  15  19.978  -0.998   3.659
   99    HB2  ASP  15           HB2      ASP  15  20.097  -2.817   1.296
  100    HB3  ASP  15           HB3      ASP  15  21.533  -2.642   2.301
  101    H    LEU  16           H        LEU  16  20.160  -0.056   0.321
  102    HA   LEU  16           HA       LEU  16  22.841   0.636   0.057
  103    HB2  LEU  16           HB2      LEU  16  20.557   0.921  -1.480
  104    HB3  LEU  16           HB3      LEU  16  21.012   2.589  -1.131
  105    HG   LEU  16           HG       LEU  16  23.396   1.907  -1.805
  106   HD11  LEU  16          HD11      LEU  16  23.794  -0.142  -2.736
  107   HD12  LEU  16          HD12      LEU  16  22.201  -0.222  -3.489
  108   HD13  LEU  16          HD13      LEU  16  22.388  -0.615  -1.780
  109   HD21  LEU  16          HD21      LEU  16  22.765   2.016  -4.281
  110   HD22  LEU  16          HD22      LEU  16  22.139   3.320  -3.273
  111   HD23  LEU  16          HD23      LEU  16  21.082   1.994  -3.756
  112    H    LYS  17           H        LYS  17  20.233   2.159   1.792
  113    HA   LYS  17           HA       LYS  17  21.354   4.733   2.130
  114    HB2  LYS  17           HB2      LYS  17  19.385   3.108   3.705
  115    HB3  LYS  17           HB3      LYS  17  19.980   4.639   4.345
  116    HG2  LYS  17           HG2      LYS  17  19.103   5.875   2.531
  117    HG3  LYS  17           HG3      LYS  17  18.907   4.434   1.533
  118    HD2  LYS  17           HD2      LYS  17  17.160   3.607   3.072
  119    HD3  LYS  17           HD3      LYS  17  17.342   5.061   4.053
  120    HE2  LYS  17           HE2      LYS  17  16.366   4.878   1.194
  121    HE3  LYS  17           HE3      LYS  17  15.472   5.452   2.601
  122    HZ1  LYS  17           HZ1      LYS  17  16.847   7.348   2.759
  123    HZ2  LYS  17           HZ2      LYS  17  16.405   7.221   1.123
  124    HZ3  LYS  17           HZ3      LYS  17  17.956   6.743   1.627
  125    H    GLU  18           H        GLU  18  21.563   1.834   4.153
  126    HA   GLU  18           HA       GLU  18  23.299   2.948   6.095
  127    HB2  GLU  18           HB2      GLU  18  22.025   0.898   6.522
  128    HB3  GLU  18           HB3      GLU  18  22.931   0.061   5.262
  129    HG2  GLU  18           HG2      GLU  18  24.583   1.416   7.307
  130    HG3  GLU  18           HG3      GLU  18  23.637   0.048   7.893
  131    H    LYS  19           H        LYS  19  23.871   1.017   3.182
  132    HA   LYS  19           HA       LYS  19  26.675   0.842   3.388
  133    HB2  LYS  19           HB2      LYS  19  24.894  -0.247   1.712
  134    HB3  LYS  19           HB3      LYS  19  25.434   1.086   0.691
  135    HG2  LYS  19           HG2      LYS  19  26.919  -0.687   0.175
  136    HG3  LYS  19           HG3      LYS  19  27.828   0.335   1.289
  137    HD2  LYS  19           HD2      LYS  19  28.150  -1.551   2.500
  138    HD3  LYS  19           HD3      LYS  19  26.467  -1.366   2.995
  139    HE2  LYS  19           HE2      LYS  19  27.621  -3.140   0.858
  140    HE3  LYS  19           HE3      LYS  19  26.499  -3.553   2.155
  141    HZ1  LYS  19           HZ1      LYS  19  25.908  -2.759  -0.466
  142    HZ2  LYS  19           HZ2      LYS  19  25.319  -1.564   0.590
  143    HZ3  LYS  19           HZ3      LYS  19  24.830  -3.181   0.773
  144    H    LYS  20           H        LYS  20  24.529   3.299   2.063
  145    HA   LYS  20           HA       LYS  20  26.518   4.890   0.814
  146    HB2  LYS  20           HB2      LYS  20  23.999   5.029   0.472
  147    HB3  LYS  20           HB3      LYS  20  23.933   5.906   2.002
  148    HG2  LYS  20           HG2      LYS  20  25.932   7.264   0.773
  149    HG3  LYS  20           HG3      LYS  20  24.980   6.780  -0.632
  150    HD2  LYS  20           HD2      LYS  20  23.818   8.144   1.814
  151    HD3  LYS  20           HD3      LYS  20  24.279   8.990   0.336
  152    HE2  LYS  20           HE2      LYS  20  22.670   7.740  -0.962
  153    HE3  LYS  20           HE3      LYS  20  22.307   6.693   0.409
  154    HZ1  LYS  20           HZ1      LYS  20  20.606   8.244   0.438
  155    HZ2  LYS  20           HZ2      LYS  20  21.627   9.538   0.028
  156    HZ3  LYS  20           HZ3      LYS  20  21.691   8.862   1.585
  157    H    GLU  21           H        GLU  21  25.095   4.868   4.053
  158    HA   GLU  21           HA       GLU  21  26.257   7.199   5.074
  159    HB2  GLU  21           HB2      GLU  21  24.563   5.434   6.112
  160    HB3  GLU  21           HB3      GLU  21  26.042   4.791   6.827
  161    HG2  GLU  21           HG2      GLU  21  25.136   6.407   8.372
  162    HG3  GLU  21           HG3      GLU  21  26.567   7.122   7.633
  163    H    VAL  22           H        VAL  22  27.499   3.885   4.910
  164    HA   VAL  22           HA       VAL  22  29.888   4.276   6.330
  165    HB   VAL  22           HB       VAL  22  29.225   2.387   4.062
  166   HG11  VAL  22          HG11      VAL  22  31.202   1.096   5.013
  167   HG12  VAL  22          HG12      VAL  22  31.632   2.565   5.887
  168   HG13  VAL  22          HG13      VAL  22  31.615   2.563   4.124
  169   HG21  VAL  22          HG21      VAL  22  28.224   2.470   6.609
  170   HG22  VAL  22          HG22      VAL  22  29.632   1.431   6.828
  171   HG23  VAL  22          HG23      VAL  22  28.386   0.993   5.658
  172    H    VAL  23           H        VAL  23  28.915   5.289   3.177
  173    HA   VAL  23           HA       VAL  23  31.314   5.489   1.798
  174    HB   VAL  23           HB       VAL  23  28.908   6.086   1.051
  175   HG11  VAL  23          HG11      VAL  23  29.689   8.911   1.591
  176   HG12  VAL  23          HG12      VAL  23  29.044   7.985   2.945
  177   HG13  VAL  23          HG13      VAL  23  28.083   8.192   1.480
  178   HG21  VAL  23          HG21      VAL  23  31.375   7.667   0.279
  179   HG22  VAL  23          HG22      VAL  23  29.864   7.742  -0.628
  180   HG23  VAL  23          HG23      VAL  23  30.740   6.217  -0.500
  181    H    GLU  24           H        GLU  24  30.228   7.269   4.563
  182    HA   GLU  24           HA       GLU  24  31.644   9.641   4.396
  183    HB2  GLU  24           HB2      GLU  24  30.318   8.189   6.418
  184    HB3  GLU  24           HB3      GLU  24  31.930   8.537   7.043
  185    HG2  GLU  24           HG2      GLU  24  31.628  10.926   6.436
  186    HG3  GLU  24           HG3      GLU  24  29.994  10.563   5.884
  187    H    GLU  25           H        GLU  25  32.770   6.408   5.194
  188    HA   GLU  25           HA       GLU  25  35.347   6.984   6.101
  189    HB2  GLU  25           HB2      GLU  25  34.101   4.715   5.938
  190    HB3  GLU  25           HB3      GLU  25  34.754   4.643   4.302
  191    HG2  GLU  25           HG2      GLU  25  37.010   4.726   5.100
  192    HG3  GLU  25           HG3      GLU  25  36.486   5.145   6.731
  193    H    ALA  26           H        ALA  26  33.923   7.489   3.063
  194    HA   ALA  26           HA       ALA  26  36.127   7.172   1.327
  195    HB1  ALA  26           HB1      ALA  26  33.864   7.460   0.464
  196    HB2  ALA  26           HB2      ALA  26  34.902   8.741  -0.161
  197    HB3  ALA  26           HB3      ALA  26  33.781   9.080   1.158
  198    H    GLU  27           H        GLU  27  35.294   9.607   3.647
  199    HA   GLU  27           HA       GLU  27  36.946  11.703   2.637
  200    HB2  GLU  27           HB2      GLU  27  35.027  11.604   4.529
  201    HB3  GLU  27           HB3      GLU  27  36.457  11.529   5.558
  202    HG2  GLU  27           HG2      GLU  27  37.242  13.492   3.897
  203    HG3  GLU  27           HG3      GLU  27  35.498  13.732   3.802
  204    H    ASN  28           H        ASN  28  37.636   8.733   4.065
  205    HA   ASN  28           HA       ASN  28  40.435   9.138   4.037
  206    HB2  ASN  28           HB2      ASN  28  39.360  10.277   6.272
  207    HB3  ASN  28           HB3      ASN  28  39.706   8.647   6.850
  208   HD21  ASN  28          HD21      ASN  28  41.110  11.694   6.350
  209   HD22  ASN  28          HD22      ASN  28  42.740  11.222   6.400
  Start of MODEL    3
    1    H1   ACE   0           H1       ACE   0  28.636 -20.682  -0.539
    2    H2   ACE   0           H2       ACE   0  30.001 -19.622  -0.899
    3    H3   ACE   0           H3       ACE   0  28.742 -19.881  -2.108
    4    H    SER   1           H        SER   1  27.237 -19.769   0.832
    5    HA   SER   1           HA       SER   1  25.915 -18.218   1.892
    6    HB2  SER   1           HB2      SER   1  27.357 -15.813   1.174
    7    HB3  SER   1           HB3      SER   1  27.161 -16.565   2.754
    8    HG   SER   1           HG       SER   1  28.926 -17.818   2.376
    9    H    ASP   2           H        ASP   2  26.251 -18.430  -1.320
   10    HA   ASP   2           HA       ASP   2  25.178 -16.135  -2.457
   11    HB2  ASP   2           HB2      ASP   2  24.213 -18.733  -3.513
   12    HB3  ASP   2           HB3      ASP   2  24.973 -17.383  -4.355
   13    H    ALA   3           H        ALA   3  23.545 -18.807  -0.822
   14    HA   ALA   3           HA       ALA   3  20.900 -18.185  -1.519
   15    HB1  ALA   3           HB1      ALA   3  20.391 -19.896  -0.143
   16    HB2  ALA   3           HB2      ALA   3  21.218 -19.150   1.224
   17    HB3  ALA   3           HB3      ALA   3  22.133 -20.091   0.047
   18    H    ALA   4           H        ALA   4  23.085 -16.685   0.724
   19    HA   ALA   4           HA       ALA   4  21.320 -15.407   2.466
   20    HB1  ALA   4           HB1      ALA   4  23.858 -15.440   2.579
   21    HB2  ALA   4           HB2      ALA   4  23.101 -13.892   2.948
   22    HB3  ALA   4           HB3      ALA   4  23.843 -14.156   1.370
   23    H    VAL   5           H        VAL   5  22.039 -14.773  -0.871
   24    HA   VAL   5           HA       VAL   5  21.237 -12.102  -1.079
   25    HB   VAL   5           HB       VAL   5  20.988 -14.343  -3.100
   26   HG11  VAL   5          HG11      VAL   5  20.280 -11.477  -3.146
   27   HG12  VAL   5          HG12      VAL   5  19.734 -12.787  -4.191
   28   HG13  VAL   5          HG13      VAL   5  21.284 -12.004  -4.496
   29   HG21  VAL   5          HG21      VAL   5  23.111 -12.231  -2.599
   30   HG22  VAL   5          HG22      VAL   5  23.081 -13.304  -3.998
   31   HG23  VAL   5          HG23      VAL   5  23.294 -13.971  -2.379
   32    H    ASP   6           H        ASP   6  19.363 -15.108  -1.133
   33    HA   ASP   6           HA       ASP   6  16.886 -13.982  -1.868
   34    HB2  ASP   6           HB2      ASP   6  17.764 -16.467  -0.477
   35    HB3  ASP   6           HB3      ASP   6  16.073 -15.999  -0.311
   36    H    THR   7           H        THR   7  18.491 -14.393   1.237
   37    HA   THR   7           HA       THR   7  16.389 -13.441   2.874
   38    HB   THR   7           HB       THR   7  17.976 -13.378   4.613
   39    HG1  THR   7           HG1      THR   7  19.673 -12.649   2.538
   40   HG21  THR   7          HG21      THR   7  19.124 -15.319   2.587
   41   HG22  THR   7          HG22      THR   7  17.694 -15.632   3.572
   42   HG23  THR   7          HG23      THR   7  19.267 -15.425   4.341
   43    H    SER   8           H        SER   8  18.994 -11.884   1.104
   44    HA   SER   8           HA       SER   8  19.017  -9.339   2.138
   45    HB2  SER   8           HB2      SER   8  20.362 -10.327   0.179
   46    HB3  SER   8           HB3      SER   8  19.021  -9.805  -0.835
   47    HG   SER   8           HG       SER   8  19.375  -7.709  -0.188
   48    H    SER   9           H        SER   9  16.443 -10.857   0.371
   49    HA   SER   9           HA       SER   9  15.104  -8.649  -0.685
   50    HB2  SER   9           HB2      SER   9  14.497 -11.394  -0.194
   51    HB3  SER   9           HB3      SER   9  13.143 -10.423   0.365
   52    HG   SER   9           HG       SER   9  13.996  -9.397  -1.922
   53    H    GLU  10           H        GLU  10  15.012  -9.984   2.595
   54    HA   GLU  10           HA       GLU  10  12.975  -8.265   3.574
   55    HB2  GLU  10           HB2      GLU  10  14.658 -10.343   4.601
   56    HB3  GLU  10           HB3      GLU  10  14.736  -8.963   5.695
   57    HG2  GLU  10           HG2      GLU  10  12.396  -8.966   6.049
   58    HG3  GLU  10           HG3      GLU  10  12.099  -9.980   4.638
   59    H    ILE  11           H        ILE  11  16.224  -7.695   2.739
   60    HA   ILE  11           HA       ILE  11  16.066  -5.006   3.894
   61    HB   ILE  11           HB       ILE  11  18.629  -5.479   4.484
   62   HG12  ILE  11          HG12      ILE  11  17.314  -8.139   5.079
   63   HG13  ILE  11          HG13      ILE  11  18.297  -7.878   3.639
   64   HG21  ILE  11          HG21      ILE  11  17.558  -4.756   6.353
   65   HG22  ILE  11          HG22      ILE  11  17.442  -6.470   6.758
   66   HG23  ILE  11          HG23      ILE  11  16.089  -5.657   5.972
   67   HD11  ILE  11          HD11      ILE  11  19.644  -8.828   5.479
   68   HD12  ILE  11          HD12      ILE  11  19.221  -7.449   6.494
   69   HD13  ILE  11          HD13      ILE  11  20.203  -7.212   5.048
   70    H    THR  12           H        THR  12  16.031  -4.001   1.942
   71    HA   THR  12           HA       THR  12  18.491  -4.165   0.351
   72    HB   THR  12           HB       THR  12  16.360  -3.792  -1.487
   73    HG1  THR  12           HG1      THR  12  15.119  -5.565  -1.138
   74   HG21  THR  12          HG21      THR  12  17.348  -5.670  -2.582
   75   HG22  THR  12          HG22      THR  12  17.998  -6.300  -1.068
   76   HG23  THR  12          HG23      THR  12  18.673  -4.832  -1.775
   77    H    THR  13           H        THR  13  15.319  -2.568   0.138
   78    HA   THR  13           HA       THR  13  16.146  -0.138  -0.868
   79    HB   THR  13           HB       THR  13  14.145   0.770   0.569
   80    HG1  THR  13           HG1      THR  13  14.420  -1.398   1.775
   81   HG21  THR  13          HG21      THR  13  12.600  -0.697  -1.006
   82   HG22  THR  13          HG22      THR  13  14.147  -1.171  -1.711
   83   HG23  THR  13          HG23      THR  13  13.672   0.527  -1.685
   84    H    LYS  14           H        LYS  14  16.060  -1.206   2.505
   85    HA   LYS  14           HA       LYS  14  17.027   1.290   3.557
   86    HB2  LYS  14           HB2      LYS  14  16.705  -1.485   4.700
   87    HB3  LYS  14           HB3      LYS  14  17.439  -0.175   5.622
   88    HG2  LYS  14           HG2      LYS  14  14.903   0.552   4.305
   89    HG3  LYS  14           HG3      LYS  14  14.742  -0.700   5.536
   90    HD2  LYS  14           HD2      LYS  14  16.147   0.835   7.048
   91    HD3  LYS  14           HD3      LYS  14  15.836   2.098   5.857
   92    HE2  LYS  14           HE2      LYS  14  14.119   2.309   7.513
   93    HE3  LYS  14           HE3      LYS  14  13.360   1.555   6.111
   94    HZ1  LYS  14           HZ1      LYS  14  13.341  -0.509   7.127
   95    HZ2  LYS  14           HZ2      LYS  14  12.969   0.535   8.415
   96    HZ3  LYS  14           HZ3      LYS  14  14.538  -0.093   8.253
   97    H    ASP  15           H        ASP  15  18.437  -1.757   2.535
   98    HA   ASP  15           HA       ASP  15  21.019  -1.439   3.600
   99    HB2  ASP  15           HB2      ASP  15  19.735  -3.306   2.045
  100    HB3  ASP  15           HB3      ASP  15  20.934  -2.639   0.939
  101    H    LEU  16           H        LEU  16  19.451  -0.084   0.793
  102    HA   LEU  16           HA       LEU  16  21.634   0.789  -0.690
  103    HB2  LEU  16           HB2      LEU  16  18.807   1.405  -0.506
  104    HB3  LEU  16           HB3      LEU  16  19.747   2.867  -0.806
  105    HG   LEU  16           HG       LEU  16  20.190   0.323  -2.376
  106   HD11  LEU  16          HD11      LEU  16  17.870   0.936  -2.731
  107   HD12  LEU  16          HD12      LEU  16  18.797   1.410  -4.155
  108   HD13  LEU  16          HD13      LEU  16  18.313   2.626  -2.972
  109   HD21  LEU  16          HD21      LEU  16  21.138   3.147  -2.466
  110   HD22  LEU  16          HD22      LEU  16  20.826   2.365  -4.016
  111   HD23  LEU  16          HD23      LEU  16  21.986   1.661  -2.892
  112    H    LYS  17           H        LYS  17  20.311   1.897   2.317
  113    HA   LYS  17           HA       LYS  17  21.599   4.451   2.398
  114    HB2  LYS  17           HB2      LYS  17  20.533   2.654   4.585
  115    HB3  LYS  17           HB3      LYS  17  21.182   4.266   4.880
  116    HG2  LYS  17           HG2      LYS  17  19.496   5.290   3.511
  117    HG3  LYS  17           HG3      LYS  17  18.953   3.726   2.904
  118    HD2  LYS  17           HD2      LYS  17  17.391   3.891   4.549
  119    HD3  LYS  17           HD3      LYS  17  18.704   3.356   5.600
  120    HE2  LYS  17           HE2      LYS  17  17.774   6.186   5.088
  121    HE3  LYS  17           HE3      LYS  17  17.821   5.324   6.626
  122    HZ1  LYS  17           HZ1      LYS  17  20.087   6.352   5.028
  123    HZ2  LYS  17           HZ2      LYS  17  20.306   5.170   6.228
  124    HZ3  LYS  17           HZ3      LYS  17  19.692   6.699   6.640
  125    H    GLU  18           H        GLU  18  22.590   1.195   3.223
  126    HA   GLU  18           HA       GLU  18  24.889   1.856   4.737
  127    HB2  GLU  18           HB2      GLU  18  24.165  -0.390   4.882
  128    HB3  GLU  18           HB3      GLU  18  24.109  -0.574   3.129
  129    HG2  GLU  18           HG2      GLU  18  26.416  -0.765   2.934
  130    HG3  GLU  18           HG3      GLU  18  26.718   0.126   4.424
  131    H    LYS  19           H        LYS  19  24.224   1.718   1.311
  132    HA   LYS  19           HA       LYS  19  26.922   1.708   0.398
  133    HB2  LYS  19           HB2      LYS  19  24.488   2.838  -1.007
  134    HB3  LYS  19           HB3      LYS  19  26.006   2.337  -1.753
  135    HG2  LYS  19           HG2      LYS  19  24.229   0.467  -0.167
  136    HG3  LYS  19           HG3      LYS  19  24.156   0.625  -1.922
  137    HD2  LYS  19           HD2      LYS  19  26.804   0.265  -1.655
  138    HD3  LYS  19           HD3      LYS  19  26.266  -0.604  -0.217
  139    HE2  LYS  19           HE2      LYS  19  24.557  -1.737  -1.811
  140    HE3  LYS  19           HE3      LYS  19  25.607  -1.156  -3.104
  141    HZ1  LYS  19           HZ1      LYS  19  26.181  -3.108  -0.983
  142    HZ2  LYS  19           HZ2      LYS  19  27.456  -2.206  -1.653
  143    HZ3  LYS  19           HZ3      LYS  19  26.504  -3.203  -2.645
  144    H    LYS  20           H        LYS  20  24.590   4.273   1.140
  145    HA   LYS  20           HA       LYS  20  26.322   6.406   0.315
  146    HB2  LYS  20           HB2      LYS  20  24.078   6.699   2.303
  147    HB3  LYS  20           HB3      LYS  20  24.670   7.875   1.133
  148    HG2  LYS  20           HG2      LYS  20  23.439   5.253   0.273
  149    HG3  LYS  20           HG3      LYS  20  22.464   6.694   0.559
  150    HD2  LYS  20           HD2      LYS  20  23.678   7.933  -1.126
  151    HD3  LYS  20           HD3      LYS  20  24.835   6.617  -1.323
  152    HE2  LYS  20           HE2      LYS  20  21.912   6.069  -1.729
  153    HE3  LYS  20           HE3      LYS  20  22.829   6.857  -3.013
  154    HZ1  LYS  20           HZ1      LYS  20  24.440   5.025  -2.878
  155    HZ2  LYS  20           HZ2      LYS  20  22.890   4.496  -3.324
  156    HZ3  LYS  20           HZ3      LYS  20  23.453   4.249  -1.739
  157    H    GLU  21           H        GLU  21  25.797   4.599   3.243
  158    HA   GLU  21           HA       GLU  21  27.146   6.418   4.992
  159    HB2  GLU  21           HB2      GLU  21  25.924   3.775   5.166
  160    HB3  GLU  21           HB3      GLU  21  27.398   3.897   6.127
  161    HG2  GLU  21           HG2      GLU  21  25.179   5.956   6.227
  162    HG3  GLU  21           HG3      GLU  21  25.282   4.591   7.338
  163    H    VAL  22           H        VAL  22  28.139   3.615   3.069
  164    HA   VAL  22           HA       VAL  22  30.730   3.296   4.108
  165    HB   VAL  22           HB       VAL  22  29.588   2.708   1.375
  166   HG11  VAL  22          HG11      VAL  22  31.690   1.110   1.425
  167   HG12  VAL  22          HG12      VAL  22  32.337   2.334   2.515
  168   HG13  VAL  22          HG13      VAL  22  31.859   2.778   0.877
  169   HG21  VAL  22          HG21      VAL  22  29.124   0.602   2.207
  170   HG22  VAL  22          HG22      VAL  22  28.957   1.534   3.695
  171   HG23  VAL  22          HG23      VAL  22  30.450   0.654   3.368
  172    H    VAL  23           H        VAL  23  29.555   5.378   1.451
  173    HA   VAL  23           HA       VAL  23  32.114   6.228   0.599
  174    HB   VAL  23           HB       VAL  23  30.841   8.252  -0.294
  175   HG11  VAL  23          HG11      VAL  23  30.994   5.603  -1.162
  176   HG12  VAL  23          HG12      VAL  23  30.507   6.990  -2.135
  177   HG13  VAL  23          HG13      VAL  23  29.286   6.010  -1.325
  178   HG21  VAL  23          HG21      VAL  23  29.051   8.113   1.460
  179   HG22  VAL  23          HG22      VAL  23  28.471   6.641   0.678
  180   HG23  VAL  23          HG23      VAL  23  28.424   8.177  -0.187
  181    H    GLU  24           H        GLU  24  29.953   7.406   3.111
  182    HA   GLU  24           HA       GLU  24  31.081   9.841   3.744
  183    HB2  GLU  24           HB2      GLU  24  29.479   7.838   5.120
  184    HB3  GLU  24           HB3      GLU  24  30.547   8.704   6.222
  185    HG2  GLU  24           HG2      GLU  24  29.652  10.822   5.579
  186    HG3  GLU  24           HG3      GLU  24  28.823  10.128   4.188
  187    H    GLU  25           H        GLU  25  32.230   6.612   4.604
  188    HA   GLU  25           HA       GLU  25  34.248   7.366   6.415
  189    HB2  GLU  25           HB2      GLU  25  33.396   5.001   5.844
  190    HB3  GLU  25           HB3      GLU  25  34.524   5.063   4.490
  191    HG2  GLU  25           HG2      GLU  25  36.280   5.776   6.264
  192    HG3  GLU  25           HG3      GLU  25  35.127   5.152   7.441
  193    H    ALA  26           H        ALA  26  33.899   7.920   3.107
  194    HA   ALA  26           HA       ALA  26  36.315   7.808   1.893
  195    HB1  ALA  26           HB1      ALA  26  34.643   8.794   0.603
  196    HB2  ALA  26           HB2      ALA  26  35.686  10.172   0.960
  197    HB3  ALA  26           HB3      ALA  26  34.197   9.932   1.875
  198    H    GLU  27           H        GLU  27  35.402   9.951   4.510
  199    HA   GLU  27           HA       GLU  27  37.793  11.558   4.346
  200    HB2  GLU  27           HB2      GLU  27  35.550  11.334   6.347
  201    HB3  GLU  27           HB3      GLU  27  36.961  12.355   6.635
  202    HG2  GLU  27           HG2      GLU  27  35.481  12.569   4.030
  203    HG3  GLU  27           HG3      GLU  27  34.845  13.378   5.460
  204    H    ASN  28           H        ASN  28  36.768   8.669   6.006
  205    HA   ASN  28           HA       ASN  28  37.835   7.263   7.487
  206    HB2  ASN  28           HB2      ASN  28  39.642   7.960   5.361
  207    HB3  ASN  28           HB3      ASN  28  40.552   7.722   6.850
  208   HD21  ASN  28          HD21      ASN  28  37.862   6.118   5.041
  209   HD22  ASN  28          HD22      ASN  28  38.392   4.541   5.380
  Start of MODEL    4
    1    H1   ACE   0           H1       ACE   0  16.954   8.276 -13.746
    2    H2   ACE   0           H2       ACE   0  15.437   8.513 -12.878
    3    H3   ACE   0           H3       ACE   0  15.540   7.303 -14.156
    4    H    SER   1           H        SER   1  15.949   5.259 -13.558
    5    HA   SER   1           HA       SER   1  16.632   3.444 -12.320
    6    HB2  SER   1           HB2      SER   1  18.626   5.307 -11.903
    7    HB3  SER   1           HB3      SER   1  18.121   4.899 -10.265
    8    HG   SER   1           HG       SER   1  18.300   2.736 -11.931
    9    H    ASP   2           H        ASP   2  15.623   6.316 -10.562
   10    HA   ASP   2           HA       ASP   2  14.952   5.276  -8.097
   11    HB2  ASP   2           HB2      ASP   2  14.452   7.651  -9.490
   12    HB3  ASP   2           HB3      ASP   2  12.858   7.038  -9.054
   13    H    ALA   3           H        ALA   3  13.217   5.013 -11.151
   14    HA   ALA   3           HA       ALA   3  10.786   3.992 -10.220
   15    HB1  ALA   3           HB1      ALA   3  10.513   4.277 -12.440
   16    HB2  ALA   3           HB2      ALA   3  11.193   2.657 -12.596
   17    HB3  ALA   3           HB3      ALA   3  12.234   4.071 -12.766
   18    H    ALA   4           H        ALA   4  13.922   2.534 -10.435
   19    HA   ALA   4           HA       ALA   4  13.456  -0.157 -10.604
   20    HB1  ALA   4           HB1      ALA   4  15.398  -0.428  -9.017
   21    HB2  ALA   4           HB2      ALA   4  15.363   1.318  -8.775
   22    HB3  ALA   4           HB3      ALA   4  15.709   0.657 -10.372
   23    H    VAL   5           H        VAL   5  12.216   1.964  -8.278
   24    HA   VAL   5           HA       VAL   5  12.017   0.656  -5.917
   25    HB   VAL   5           HB       VAL   5  10.078   2.343  -7.446
   26   HG11  VAL   5          HG11      VAL   5   9.461   0.632  -5.046
   27   HG12  VAL   5          HG12      VAL   5   8.480   0.912  -6.485
   28   HG13  VAL   5          HG13      VAL   5   8.647   2.181  -5.271
   29   HG21  VAL   5          HG21      VAL   5  10.717   3.953  -5.942
   30   HG22  VAL   5          HG22      VAL   5  12.132   2.913  -5.772
   31   HG23  VAL   5          HG23      VAL   5  10.814   2.807  -4.604
   32    H    ASP   6           H        ASP   6  10.332  -0.097  -8.922
   33    HA   ASP   6           HA       ASP   6   8.584  -2.068  -7.894
   34    HB2  ASP   6           HB2      ASP   6   8.530  -1.093 -10.234
   35    HB3  ASP   6           HB3      ASP   6   9.915  -2.114 -10.615
   36    H    THR   7           H        THR   7  11.909  -2.125  -9.022
   37    HA   THR   7           HA       THR   7  12.375  -4.909  -8.781
   38    HB   THR   7           HB       THR   7  14.704  -4.373  -8.933
   39    HG1  THR   7           HG1      THR   7  15.386  -2.204  -8.612
   40   HG21  THR   7          HG21      THR   7  14.030  -3.929 -11.066
   41   HG22  THR   7          HG22      THR   7  14.458  -2.275 -10.629
   42   HG23  THR   7          HG23      THR   7  12.777  -2.803 -10.545
   43    H    SER   8           H        SER   8  12.006  -2.361  -6.496
   44    HA   SER   8           HA       SER   8  13.530  -2.907  -4.346
   45    HB2  SER   8           HB2      SER   8  11.616  -2.360  -2.885
   46    HB3  SER   8           HB3      SER   8  11.713  -1.268  -4.261
   47    HG   SER   8           HG       SER   8   9.585  -2.168  -3.802
   48    H    SER   9           H        SER   9  11.290  -5.069  -5.812
   49    HA   SER   9           HA       SER   9  10.682  -6.859  -3.778
   50    HB2  SER   9           HB2      SER   9   9.687  -7.609  -5.688
   51    HB3  SER   9           HB3      SER   9  10.994  -7.025  -6.715
   52    HG   SER   9           HG       SER   9  10.791  -9.421  -5.241
   53    H    GLU  10           H        GLU  10  13.570  -6.700  -5.828
   54    HA   GLU  10           HA       GLU  10  14.935  -8.870  -4.568
   55    HB2  GLU  10           HB2      GLU  10  15.487  -6.862  -6.633
   56    HB3  GLU  10           HB3      GLU  10  16.899  -7.286  -5.666
   57    HG2  GLU  10           HG2      GLU  10  16.560  -9.657  -6.135
   58    HG3  GLU  10           HG3      GLU  10  15.070  -9.298  -7.007
   59    H    ILE  11           H        ILE  11  13.986  -6.061  -3.305
   60    HA   ILE  11           HA       ILE  11  14.595  -4.727  -1.557
   61    HB   ILE  11           HB       ILE  11  15.574  -5.793   0.324
   62   HG12  ILE  11          HG12      ILE  11  16.485  -8.201  -1.202
   63   HG13  ILE  11          HG13      ILE  11  17.516  -6.773  -1.245
   64   HG21  ILE  11          HG21      ILE  11  14.342  -8.101  -1.175
   65   HG22  ILE  11          HG22      ILE  11  13.377  -6.713  -0.673
   66   HG23  ILE  11          HG23      ILE  11  14.198  -7.700   0.536
   67   HD11  ILE  11          HD11      ILE  11  16.452  -7.611   1.410
   68   HD12  ILE  11          HD12      ILE  11  18.003  -6.881   1.000
   69   HD13  ILE  11          HD13      ILE  11  17.728  -8.596   0.696
   70    H    THR  12           H        THR  12  17.113  -4.713  -0.138
   71    HA   THR  12           HA       THR  12  19.349  -4.052  -0.387
   72    HB   THR  12           HB       THR  12  18.948  -3.492  -3.303
   73    HG1  THR  12           HG1      THR  12  19.680  -6.038  -2.368
   74   HG21  THR  12          HG21      THR  12  21.323  -4.898  -2.254
   75   HG22  THR  12          HG22      THR  12  21.081  -3.273  -1.612
   76   HG23  THR  12          HG23      THR  12  21.221  -3.523  -3.353
   77    H    THR  13           H        THR  13  16.503  -2.498  -1.359
   78    HA   THR  13           HA       THR  13  17.396   0.083  -1.999
   79    HB   THR  13           HB       THR  13  14.859  -0.786  -0.595
   80    HG1  THR  13           HG1      THR  13  14.061  -0.969  -2.591
   81   HG21  THR  13          HG21      THR  13  13.985   1.392  -1.482
   82   HG22  THR  13          HG22      THR  13  15.636   1.819  -1.930
   83   HG23  THR  13          HG23      THR  13  15.216   1.582  -0.234
   84    H    LYS  14           H        LYS  14  16.500  -1.329   1.147
   85    HA   LYS  14           HA       LYS  14  17.101   1.018   2.650
   86    HB2  LYS  14           HB2      LYS  14  15.641  -0.858   3.452
   87    HB3  LYS  14           HB3      LYS  14  17.091  -1.845   3.629
   88    HG2  LYS  14           HG2      LYS  14  17.699   0.591   4.901
   89    HG3  LYS  14           HG3      LYS  14  16.053   0.201   5.402
   90    HD2  LYS  14           HD2      LYS  14  16.997  -2.200   5.798
   91    HD3  LYS  14           HD3      LYS  14  18.571  -1.404   5.792
   92    HE2  LYS  14           HE2      LYS  14  16.243  -0.621   7.570
   93    HE3  LYS  14           HE3      LYS  14  17.623  -1.589   8.086
   94    HZ1  LYS  14           HZ1      LYS  14  18.998   0.361   7.200
   95    HZ2  LYS  14           HZ2      LYS  14  18.204   0.551   8.690
   96    HZ3  LYS  14           HZ3      LYS  14  17.553   1.246   7.283
   97    H    ASP  15           H        ASP  15  18.929  -1.832   1.687
   98    HA   ASP  15           HA       ASP  15  21.212  -1.493   3.275
   99    HB2  ASP  15           HB2      ASP  15  20.774  -2.661   0.540
  100    HB3  ASP  15           HB3      ASP  15  22.383  -2.585   1.255
  101    H    LEU  16           H        LEU  16  20.183   0.048   0.298
  102    HA   LEU  16           HA       LEU  16  22.540   1.302  -0.499
  103    HB2  LEU  16           HB2      LEU  16  19.946   1.351  -1.359
  104    HB3  LEU  16           HB3      LEU  16  20.105   2.966  -0.667
  105    HG   LEU  16           HG       LEU  16  20.746   2.999  -3.035
  106   HD11  LEU  16          HD11      LEU  16  23.329   3.155  -1.498
  107   HD12  LEU  16          HD12      LEU  16  22.024   4.290  -1.159
  108   HD13  LEU  16          HD13      LEU  16  22.734   4.218  -2.772
  109   HD21  LEU  16          HD21      LEU  16  23.210   1.450  -2.713
  110   HD22  LEU  16          HD22      LEU  16  21.998   1.374  -3.993
  111   HD23  LEU  16          HD23      LEU  16  21.762   0.467  -2.498
  112    H    LYS  17           H        LYS  17  20.359   1.958   2.125
  113    HA   LYS  17           HA       LYS  17  21.287   4.591   2.734
  114    HB2  LYS  17           HB2      LYS  17  19.107   3.657   3.514
  115    HB3  LYS  17           HB3      LYS  17  19.997   2.588   4.598
  116    HG2  LYS  17           HG2      LYS  17  20.839   4.398   5.875
  117    HG3  LYS  17           HG3      LYS  17  20.415   5.577   4.633
  118    HD2  LYS  17           HD2      LYS  17  18.144   3.986   5.650
  119    HD3  LYS  17           HD3      LYS  17  18.883   5.062   6.837
  120    HE2  LYS  17           HE2      LYS  17  18.542   6.982   5.435
  121    HE3  LYS  17           HE3      LYS  17  18.080   5.972   4.064
  122    HZ1  LYS  17           HZ1      LYS  17  16.063   5.442   5.024
  123    HZ2  LYS  17           HZ2      LYS  17  16.250   7.073   5.464
  124    HZ3  LYS  17           HZ3      LYS  17  16.570   5.842   6.592
  125    H    GLU  18           H        GLU  18  22.185   1.351   3.782
  126    HA   GLU  18           HA       GLU  18  24.079   2.263   5.747
  127    HB2  GLU  18           HB2      GLU  18  22.997   0.063   5.947
  128    HB3  GLU  18           HB3      GLU  18  23.757  -0.449   4.440
  129    HG2  GLU  18           HG2      GLU  18  25.681   0.660   6.342
  130    HG3  GLU  18           HG3      GLU  18  24.837  -0.752   6.977
  131    H    LYS  19           H        LYS  19  24.189   1.194   2.392
  132    HA   LYS  19           HA       LYS  19  27.052   1.219   2.202
  133    HB2  LYS  19           HB2      LYS  19  25.887  -0.165   0.647
  134    HB3  LYS  19           HB3      LYS  19  24.846   1.166   0.138
  135    HG2  LYS  19           HG2      LYS  19  26.397   1.980  -1.299
  136    HG3  LYS  19           HG3      LYS  19  27.711   1.750  -0.146
  137    HD2  LYS  19           HD2      LYS  19  27.910  -0.579  -0.716
  138    HD3  LYS  19           HD3      LYS  19  26.431  -0.528  -1.675
  139    HE2  LYS  19           HE2      LYS  19  27.504   1.066  -3.233
  140    HE3  LYS  19           HE3      LYS  19  28.990   0.983  -2.286
  141    HZ1  LYS  19           HZ1      LYS  19  29.238  -0.531  -4.053
  142    HZ2  LYS  19           HZ2      LYS  19  27.689  -1.190  -3.820
  143    HZ3  LYS  19           HZ3      LYS  19  28.918  -1.479  -2.683
  144    H    LYS  20           H        LYS  20  24.481   3.553   1.703
  145    HA   LYS  20           HA       LYS  20  26.116   5.487   0.346
  146    HB2  LYS  20           HB2      LYS  20  23.822   5.729  -0.074
  147    HB3  LYS  20           HB3      LYS  20  23.397   5.541   1.627
  148    HG2  LYS  20           HG2      LYS  20  24.310   7.704   2.172
  149    HG3  LYS  20           HG3      LYS  20  25.004   7.876   0.560
  150    HD2  LYS  20           HD2      LYS  20  22.529   7.570  -0.249
  151    HD3  LYS  20           HD3      LYS  20  22.122   8.038   1.402
  152    HE2  LYS  20           HE2      LYS  20  23.935   9.644  -0.419
  153    HE3  LYS  20           HE3      LYS  20  22.220   9.979  -0.184
  154    HZ1  LYS  20           HZ1      LYS  20  22.843  11.196   1.547
  155    HZ2  LYS  20           HZ2      LYS  20  24.435  10.603   1.505
  156    HZ3  LYS  20           HZ3      LYS  20  23.229   9.751   2.345
  157    H    GLU  21           H        GLU  21  25.285   4.772   3.669
  158    HA   GLU  21           HA       GLU  21  26.238   7.218   4.778
  159    HB2  GLU  21           HB2      GLU  21  25.161   6.350   6.540
  160    HB3  GLU  21           HB3      GLU  21  25.022   4.798   5.720
  161    HG2  GLU  21           HG2      GLU  21  26.196   4.504   7.839
  162    HG3  GLU  21           HG3      GLU  21  27.308   4.207   6.505
  163    H    VAL  22           H        VAL  22  27.709   4.052   4.171
  164    HA   VAL  22           HA       VAL  22  30.136   4.497   5.521
  165    HB   VAL  22           HB       VAL  22  29.207   2.323   4.430
  166   HG11  VAL  22          HG11      VAL  22  31.057   2.871   2.184
  167   HG12  VAL  22          HG12      VAL  22  29.520   3.729   2.115
  168   HG13  VAL  22          HG13      VAL  22  29.541   1.970   2.201
  169   HG21  VAL  22          HG21      VAL  22  31.409   2.684   5.657
  170   HG22  VAL  22          HG22      VAL  22  32.152   2.939   4.078
  171   HG23  VAL  22          HG23      VAL  22  31.418   1.383   4.465
  172    H    VAL  23           H        VAL  23  28.954   5.652   2.455
  173    HA   VAL  23           HA       VAL  23  31.306   6.267   1.122
  174    HB   VAL  23           HB       VAL  23  28.872   8.056   1.213
  175   HG11  VAL  23          HG11      VAL  23  29.546   8.620  -1.062
  176   HG12  VAL  23          HG12      VAL  23  30.863   7.449  -0.994
  177   HG13  VAL  23          HG13      VAL  23  30.911   8.888   0.024
  178   HG21  VAL  23          HG21      VAL  23  29.380   5.592  -0.484
  179   HG22  VAL  23          HG22      VAL  23  27.973   6.649  -0.588
  180   HG23  VAL  23          HG23      VAL  23  28.242   5.676   0.859
  181    H    GLU  24           H        GLU  24  29.716   7.996   3.758
  182    HA   GLU  24           HA       GLU  24  31.250  10.349   3.692
  183    HB2  GLU  24           HB2      GLU  24  29.352   9.116   5.451
  184    HB3  GLU  24           HB3      GLU  24  30.712   9.712   6.404
  185    HG2  GLU  24           HG2      GLU  24  29.149  11.334   4.372
  186    HG3  GLU  24           HG3      GLU  24  28.982  11.457   6.123
  187    H    GLU  25           H        GLU  25  31.843   7.221   5.222
  188    HA   GLU  25           HA       GLU  25  34.154   7.933   6.672
  189    HB2  GLU  25           HB2      GLU  25  32.805   5.771   6.851
  190    HB3  GLU  25           HB3      GLU  25  33.673   5.227   5.415
  191    HG2  GLU  25           HG2      GLU  25  35.406   6.362   7.515
  192    HG3  GLU  25           HG3      GLU  25  34.565   4.888   7.988
  193    H    ALA  26           H        ALA  26  33.557   7.722   3.360
  194    HA   ALA  26           HA       ALA  26  35.789   6.762   2.133
  195    HB1  ALA  26           HB1      ALA  26  35.468   8.603   0.433
  196    HB2  ALA  26           HB2      ALA  26  34.240   9.280   1.503
  197    HB3  ALA  26           HB3      ALA  26  34.015   7.675   0.806
  198    H    GLU  27           H        GLU  27  35.509   9.747   3.954
  199    HA   GLU  27           HA       GLU  27  37.838  11.062   3.216
  200    HB2  GLU  27           HB2      GLU  27  37.733  12.182   5.353
  201    HB3  GLU  27           HB3      GLU  27  36.085  11.938   4.776
  202    HG2  GLU  27           HG2      GLU  27  35.911   9.899   6.174
  203    HG3  GLU  27           HG3      GLU  27  37.542  10.190   6.779
  204    H    ASN  28           H        ASN  28  37.565   8.004   4.573
  205    HA   ASN  28           HA       ASN  28  39.068   6.522   5.480
  206    HB2  ASN  28           HB2      ASN  28  40.235   7.346   3.327
  207    HB3  ASN  28           HB3      ASN  28  41.253   8.293   4.409
  208   HD21  ASN  28          HD21      ASN  28  40.344   5.570   6.130
  209   HD22  ASN  28          HD22      ASN  28  41.677   4.579   5.782
  Start of MODEL    5
    1    H1   ACE   0           H1       ACE   0  10.582 -13.768  14.613
    2    H2   ACE   0           H2       ACE   0  11.006 -14.839  13.278
    3    H3   ACE   0           H3       ACE   0   9.356 -14.814  13.898
    4    H    SER   1           H        SER   1  11.631 -12.215  13.016
    5    HA   SER   1           HA       SER   1   9.826 -11.366  10.863
    6    HB2  SER   1           HB2      SER   1  10.102 -10.030  13.418
    7    HB3  SER   1           HB3      SER   1  10.613  -8.978  12.102
    8    HG   SER   1           HG       SER   1   8.590  -9.673  11.060
    9    H    ASP   2           H        ASP   2  12.938 -11.377  12.417
   10    HA   ASP   2           HA       ASP   2  14.347  -9.590  10.774
   11    HB2  ASP   2           HB2      ASP   2  15.179 -12.041  12.318
   12    HB3  ASP   2           HB3      ASP   2  16.338 -11.095  11.385
   13    H    ALA   3           H        ALA   3  13.412 -12.947  10.293
   14    HA   ALA   3           HA       ALA   3  15.063 -13.597   8.129
   15    HB1  ALA   3           HB1      ALA   3  12.284 -14.506   8.880
   16    HB2  ALA   3           HB2      ALA   3  13.810 -15.349   9.142
   17    HB3  ALA   3           HB3      ALA   3  13.166 -15.178   7.508
   18    H    ALA   4           H        ALA   4  12.418 -11.412   8.326
   19    HA   ALA   4           HA       ALA   4  11.417 -11.451   5.715
   20    HB1  ALA   4           HB1      ALA   4  10.249 -10.141   7.307
   21    HB2  ALA   4           HB2      ALA   4  10.935  -8.977   6.173
   22    HB3  ALA   4           HB3      ALA   4  11.698  -9.236   7.744
   23    H    VAL   5           H        VAL   5  14.473 -10.465   6.902
   24    HA   VAL   5           HA       VAL   5  15.232  -8.527   5.030
   25    HB   VAL   5           HB       VAL   5  16.665 -10.430   6.820
   26   HG11  VAL   5          HG11      VAL   5  17.913  -8.986   4.469
   27   HG12  VAL   5          HG12      VAL   5  18.015 -10.704   4.855
   28   HG13  VAL   5          HG13      VAL   5  18.844  -9.522   5.868
   29   HG21  VAL   5          HG21      VAL   5  15.805  -7.908   7.135
   30   HG22  VAL   5          HG22      VAL   5  17.379  -7.560   6.418
   31   HG23  VAL   5          HG23      VAL   5  17.278  -8.493   7.911
   32    H    ASP   6           H        ASP   6  15.287 -12.065   4.873
   33    HA   ASP   6           HA       ASP   6  16.767 -12.309   2.488
   34    HB2  ASP   6           HB2      ASP   6  14.461 -14.101   3.259
   35    HB3  ASP   6           HB3      ASP   6  15.901 -14.523   2.335
   36    H    THR   7           H        THR   7  13.350 -11.786   3.130
   37    HA   THR   7           HA       THR   7  12.428 -11.901   0.456
   38    HB   THR   7           HB       THR   7  11.233 -10.098   2.552
   39    HG1  THR   7           HG1      THR   7  10.955 -12.914   2.355
   40   HG21  THR   7          HG21      THR   7   9.137 -10.970   1.485
   41   HG22  THR   7          HG22      THR   7  10.144 -11.842   0.328
   42   HG23  THR   7          HG23      THR   7  10.176 -10.079   0.374
   43    H    SER   8           H        SER   8  13.829  -9.376   2.460
   44    HA   SER   8           HA       SER   8  13.320  -7.088   1.023
   45    HB2  SER   8           HB2      SER   8  14.731  -7.447   3.171
   46    HB3  SER   8           HB3      SER   8  16.087  -7.639   2.063
   47    HG   SER   8           HG       SER   8  15.904  -5.585   1.462
   48    H    SER   9           H        SER   9  15.341  -9.770   0.122
   49    HA   SER   9           HA       SER   9  17.130  -8.775  -1.674
   50    HB2  SER   9           HB2      SER   9  15.535 -11.263  -1.538
   51    HB3  SER   9           HB3      SER   9  16.222 -10.882  -3.114
   52    HG   SER   9           HG       SER   9  18.123 -11.341  -2.351
   53    H    GLU  10           H        GLU  10  13.706  -8.573  -1.838
   54    HA   GLU  10           HA       GLU  10  13.428  -8.177  -4.648
   55    HB2  GLU  10           HB2      GLU  10  11.721  -8.183  -2.324
   56    HB3  GLU  10           HB3      GLU  10  11.364  -6.780  -3.331
   57    HG2  GLU  10           HG2      GLU  10  10.001  -8.604  -4.123
   58    HG3  GLU  10           HG3      GLU  10  11.268  -8.330  -5.316
   59    H    ILE  11           H        ILE  11  13.786  -6.003  -1.888
   60    HA   ILE  11           HA       ILE  11  14.524  -3.844  -3.766
   61    HB   ILE  11           HB       ILE  11  13.469  -2.253  -2.114
   62   HG12  ILE  11          HG12      ILE  11  12.471  -4.891  -1.013
   63   HG13  ILE  11          HG13      ILE  11  13.308  -3.604  -0.144
   64   HG21  ILE  11          HG21      ILE  11  11.336  -2.437  -3.110
   65   HG22  ILE  11          HG22      ILE  11  11.434  -4.195  -3.201
   66   HG23  ILE  11          HG23      ILE  11  12.411  -3.202  -4.280
   67   HD11  ILE  11          HD11      ILE  11  10.959  -3.447   0.405
   68   HD12  ILE  11          HD12      ILE  11  10.509  -3.504  -1.300
   69   HD13  ILE  11          HD13      ILE  11  11.353  -2.095  -0.657
   70    H    THR  12           H        THR  12  16.441  -2.931  -3.337
   71    HA   THR  12           HA       THR  12  17.616  -3.359  -0.654
   72    HB   THR  12           HB       THR  12  19.772  -3.648  -1.647
   73    HG1  THR  12           HG1      THR  12  19.542  -3.666  -4.160
   74   HG21  THR  12          HG21      THR  12  19.152  -5.784  -1.986
   75   HG22  THR  12          HG22      THR  12  18.775  -5.347  -3.652
   76   HG23  THR  12          HG23      THR  12  17.515  -5.291  -2.420
   77    H    THR  13           H        THR  13  16.123  -1.070  -2.132
   78    HA   THR  13           HA       THR  13  17.967   1.053  -2.467
   79    HB   THR  13           HB       THR  13  16.068   1.862  -3.359
   80    HG1  THR  13           HG1      THR  13  15.583   2.149  -0.599
   81   HG21  THR  13          HG21      THR  13  13.816   0.893  -2.711
   82   HG22  THR  13          HG22      THR  13  14.678  -0.161  -1.590
   83   HG23  THR  13          HG23      THR  13  14.983  -0.278  -3.323
   84    H    LYS  14           H        LYS  14  15.825   0.207   0.260
   85    HA   LYS  14           HA       LYS  14  16.759   2.281   1.957
   86    HB2  LYS  14           HB2      LYS  14  15.555  -0.364   2.801
   87    HB3  LYS  14           HB3      LYS  14  15.577   1.141   3.723
   88    HG2  LYS  14           HG2      LYS  14  14.365   2.116   1.595
   89    HG3  LYS  14           HG3      LYS  14  13.949   0.428   1.304
   90    HD2  LYS  14           HD2      LYS  14  12.965   0.275   3.559
   91    HD3  LYS  14           HD3      LYS  14  13.385   1.962   3.858
   92    HE2  LYS  14           HE2      LYS  14  11.680   2.752   2.564
   93    HE3  LYS  14           HE3      LYS  14  11.859   1.466   1.371
   94    HZ1  LYS  14           HZ1      LYS  14  10.227   0.342   2.324
   95    HZ2  LYS  14           HZ2      LYS  14   9.954   1.653   3.369
   96    HZ3  LYS  14           HZ3      LYS  14  10.995   0.392   3.835
   97    H    ASP  15           H        ASP  15  17.765  -1.051   1.425
   98    HA   ASP  15           HA       ASP  15  19.577  -1.250   3.597
   99    HB2  ASP  15           HB2      ASP  15  19.075  -2.699   1.068
  100    HB3  ASP  15           HB3      ASP  15  20.697  -2.854   1.737
  101    H    LEU  16           H        LEU  16  19.737   0.124   0.406
  102    HA   LEU  16           HA       LEU  16  22.480   0.416   0.025
  103    HB2  LEU  16           HB2      LEU  16  20.501   1.031  -1.531
  104    HB3  LEU  16           HB3      LEU  16  20.509   2.579  -0.686
  105    HG   LEU  16           HG       LEU  16  23.092   2.514  -1.193
  106   HD11  LEU  16          HD11      LEU  16  23.834   1.017  -2.730
  107   HD12  LEU  16          HD12      LEU  16  22.391   1.197  -3.729
  108   HD13  LEU  16          HD13      LEU  16  22.371   0.112  -2.339
  109   HD21  LEU  16          HD21      LEU  16  22.097   4.298  -2.233
  110   HD22  LEU  16          HD22      LEU  16  20.756   3.326  -2.838
  111   HD23  LEU  16          HD23      LEU  16  22.309   3.302  -3.673
  112    H    LYS  17           H        LYS  17  20.261   2.060   2.127
  113    HA   LYS  17           HA       LYS  17  21.602   4.419   2.718
  114    HB2  LYS  17           HB2      LYS  17  20.009   2.607   4.539
  115    HB3  LYS  17           HB3      LYS  17  20.523   4.237   4.974
  116    HG2  LYS  17           HG2      LYS  17  19.279   5.170   3.090
  117    HG3  LYS  17           HG3      LYS  17  18.828   3.550   2.555
  118    HD2  LYS  17           HD2      LYS  17  17.478   3.183   4.493
  119    HD3  LYS  17           HD3      LYS  17  18.137   4.605   5.304
  120    HE2  LYS  17           HE2      LYS  17  17.143   6.024   3.485
  121    HE3  LYS  17           HE3      LYS  17  16.364   4.576   2.847
  122    HZ1  LYS  17           HZ1      LYS  17  15.265   6.187   4.668
  123    HZ2  LYS  17           HZ2      LYS  17  15.994   5.035   5.682
  124    HZ3  LYS  17           HZ3      LYS  17  14.873   4.545   4.503
  125    H    GLU  18           H        GLU  18  22.092   1.192   4.070
  126    HA   GLU  18           HA       GLU  18  24.084   1.947   5.952
  127    HB2  GLU  18           HB2      GLU  18  22.669  -0.267   5.705
  128    HB3  GLU  18           HB3      GLU  18  24.049  -0.784   4.736
  129    HG2  GLU  18           HG2      GLU  18  24.129   0.216   7.598
  130    HG3  GLU  18           HG3      GLU  18  24.419  -1.437   7.054
  131    H    LYS  19           H        LYS  19  24.214   0.765   2.626
  132    HA   LYS  19           HA       LYS  19  27.057   0.570   2.497
  133    HB2  LYS  19           HB2      LYS  19  24.803   0.509   0.546
  134    HB3  LYS  19           HB3      LYS  19  26.414   0.852  -0.082
  135    HG2  LYS  19           HG2      LYS  19  27.255  -1.198   1.071
  136    HG3  LYS  19           HG3      LYS  19  25.599  -1.563   1.561
  137    HD2  LYS  19           HD2      LYS  19  24.994  -1.421  -0.925
  138    HD3  LYS  19           HD3      LYS  19  26.729  -1.454  -1.242
  139    HE2  LYS  19           HE2      LYS  19  26.075  -3.726  -1.364
  140    HE3  LYS  19           HE3      LYS  19  26.770  -3.563   0.250
  141    HZ1  LYS  19           HZ1      LYS  19  24.815  -4.570   0.763
  142    HZ2  LYS  19           HZ2      LYS  19  23.976  -3.896  -0.551
  143    HZ3  LYS  19           HZ3      LYS  19  24.295  -2.957   0.826
  144    H    LYS  20           H        LYS  20  24.739   3.139   1.908
  145    HA   LYS  20           HA       LYS  20  26.619   4.910   0.659
  146    HB2  LYS  20           HB2      LYS  20  23.862   5.253   1.826
  147    HB3  LYS  20           HB3      LYS  20  24.805   6.641   1.281
  148    HG2  LYS  20           HG2      LYS  20  24.368   4.235  -0.490
  149    HG3  LYS  20           HG3      LYS  20  23.213   5.566  -0.435
  150    HD2  LYS  20           HD2      LYS  20  24.534   6.867  -1.715
  151    HD3  LYS  20           HD3      LYS  20  25.928   6.566  -0.676
  152    HE2  LYS  20           HE2      LYS  20  26.209   5.768  -3.060
  153    HE3  LYS  20           HE3      LYS  20  26.446   4.519  -1.839
  154    HZ1  LYS  20           HZ1      LYS  20  24.339   3.625  -2.252
  155    HZ2  LYS  20           HZ2      LYS  20  24.982   3.934  -3.794
  156    HZ3  LYS  20           HZ3      LYS  20  23.825   4.984  -3.127
  157    H    GLU  21           H        GLU  21  25.624   4.181   3.908
  158    HA   GLU  21           HA       GLU  21  26.633   6.502   5.184
  159    HB2  GLU  21           HB2      GLU  21  25.939   3.725   6.091
  160    HB3  GLU  21           HB3      GLU  21  26.726   4.852   7.196
  161    HG2  GLU  21           HG2      GLU  21  24.240   5.581   5.638
  162    HG3  GLU  21           HG3      GLU  21  24.172   4.849   7.240
  163    H    VAL  22           H        VAL  22  28.056   3.290   4.568
  164    HA   VAL  22           HA       VAL  22  30.483   3.737   5.924
  165    HB   VAL  22           HB       VAL  22  31.373   1.972   4.278
  166   HG11  VAL  22          HG11      VAL  22  30.634   1.350   6.489
  167   HG12  VAL  22          HG12      VAL  22  29.923   0.205   5.353
  168   HG13  VAL  22          HG13      VAL  22  28.941   1.508   6.024
  169   HG21  VAL  22          HG21      VAL  22  29.584   0.769   3.045
  170   HG22  VAL  22          HG22      VAL  22  29.786   2.422   2.462
  171   HG23  VAL  22          HG23      VAL  22  28.435   2.018   3.523
  172    H    VAL  23           H        VAL  23  29.393   4.701   2.744
  173    HA   VAL  23           HA       VAL  23  31.787   5.251   1.462
  174    HB   VAL  23           HB       VAL  23  29.173   6.770   1.379
  175   HG11  VAL  23          HG11      VAL  23  31.778   7.343   0.192
  176   HG12  VAL  23          HG12      VAL  23  30.322   8.338   0.227
  177   HG13  VAL  23          HG13      VAL  23  30.530   7.122  -1.033
  178   HG21  VAL  23          HG21      VAL  23  28.921   5.502  -0.757
  179   HG22  VAL  23          HG22      VAL  23  29.019   4.438   0.645
  180   HG23  VAL  23          HG23      VAL  23  30.424   4.650  -0.399
  181    H    GLU  24           H        GLU  24  30.154   7.071   3.989
  182    HA   GLU  24           HA       GLU  24  31.427   9.517   3.862
  183    HB2  GLU  24           HB2      GLU  24  29.709   8.434   5.597
  184    HB3  GLU  24           HB3      GLU  24  31.185   8.259   6.546
  185    HG2  GLU  24           HG2      GLU  24  30.435  10.879   5.239
  186    HG3  GLU  24           HG3      GLU  24  29.872  10.448   6.852
  187    H    GLU  25           H        GLU  25  32.627   6.463   5.138
  188    HA   GLU  25           HA       GLU  25  34.981   7.383   6.355
  189    HB2  GLU  25           HB2      GLU  25  34.464   4.757   4.931
  190    HB3  GLU  25           HB3      GLU  25  35.818   5.078   6.016
  191    HG2  GLU  25           HG2      GLU  25  33.573   5.899   7.460
  192    HG3  GLU  25           HG3      GLU  25  33.056   4.414   6.663
  193    H    ALA  26           H        ALA  26  34.014   7.389   3.124
  194    HA   ALA  26           HA       ALA  26  36.432   6.976   1.747
  195    HB1  ALA  26           HB1      ALA  26  35.375   8.271  -0.080
  196    HB2  ALA  26           HB2      ALA  26  34.091   8.750   1.030
  197    HB3  ALA  26           HB3      ALA  26  34.288   7.054   0.587
  198    H    GLU  27           H        GLU  27  34.990   9.929   3.041
  199    HA   GLU  27           HA       GLU  27  36.926  11.736   2.105
  200    HB2  GLU  27           HB2      GLU  27  34.652  12.236   3.186
  201    HB3  GLU  27           HB3      GLU  27  35.486  12.059   4.729
  202    HG2  GLU  27           HG2      GLU  27  37.174  13.753   3.903
  203    HG3  GLU  27           HG3      GLU  27  36.116  14.032   2.521
  204    H    ASN  28           H        ASN  28  36.806   9.750   5.011
  205    HA   ASN  28           HA       ASN  28  39.172  10.910   6.164
  206    HB2  ASN  28           HB2      ASN  28  38.549   9.776   8.001
  207    HB3  ASN  28           HB3      ASN  28  37.092   9.346   7.111
  208   HD21  ASN  28          HD21      ASN  28  36.984   7.181   6.162
  209   HD22  ASN  28          HD22      ASN  28  38.073   5.964   6.626
  Start of MODEL    6
    1    H1   ACE   0           H1       ACE   0  26.002 -15.308 -14.303
    2    H2   ACE   0           H2       ACE   0  26.227 -17.023 -14.647
    3    H3   ACE   0           H3       ACE   0  27.618 -16.012 -14.252
    4    H    SER   1           H        SER   1  24.408 -16.241 -12.735
    5    HA   SER   1           HA       SER   1  23.807 -17.081 -10.652
    6    HB2  SER   1           HB2      SER   1  25.254 -18.383  -9.392
    7    HB3  SER   1           HB3      SER   1  25.937 -18.572 -11.004
    8    HG   SER   1           HG       SER   1  27.646 -17.971  -9.835
    9    H    ASP   2           H        ASP   2  26.989 -15.713  -9.943
   10    HA   ASP   2           HA       ASP   2  26.283 -14.189  -7.763
   11    HB2  ASP   2           HB2      ASP   2  28.217 -12.626  -8.860
   12    HB3  ASP   2           HB3      ASP   2  28.540 -14.109  -7.964
   13    H    ALA   3           H        ALA   3  25.933 -13.424 -11.174
   14    HA   ALA   3           HA       ALA   3  25.408 -10.689 -11.019
   15    HB1  ALA   3           HB1      ALA   3  24.296 -10.923 -13.151
   16    HB2  ALA   3           HB2      ALA   3  24.063 -12.652 -12.886
   17    HB3  ALA   3           HB3      ALA   3  25.687 -12.007 -13.129
   18    H    ALA   4           H        ALA   4  23.517 -13.378  -9.965
   19    HA   ALA   4           HA       ALA   4  20.924 -12.321 -10.080
   20    HB1  ALA   4           HB1      ALA   4  21.905 -14.002  -7.781
   21    HB2  ALA   4           HB2      ALA   4  21.696 -14.685  -9.393
   22    HB3  ALA   4           HB3      ALA   4  20.314 -13.998  -8.542
   23    H    VAL   5           H        VAL   5  23.545 -11.779  -7.810
   24    HA   VAL   5           HA       VAL   5  22.139 -10.502  -5.756
   25    HB   VAL   5           HB       VAL   5  24.970 -10.300  -6.757
   26   HG11  VAL   5          HG11      VAL   5  23.558  -8.612  -4.700
   27   HG12  VAL   5          HG12      VAL   5  24.696  -8.109  -5.949
   28   HG13  VAL   5          HG13      VAL   5  25.274  -8.978  -4.529
   29   HG21  VAL   5          HG21      VAL   5  23.679 -12.118  -5.157
   30   HG22  VAL   5          HG22      VAL   5  24.318 -10.992  -3.959
   31   HG23  VAL   5          HG23      VAL   5  25.411 -11.790  -5.089
   32    H    ASP   6           H        ASP   6  23.426  -9.312  -8.824
   33    HA   ASP   6           HA       ASP   6  22.980  -6.561  -8.392
   34    HB2  ASP   6           HB2      ASP   6  24.144  -7.820 -10.389
   35    HB3  ASP   6           HB3      ASP   6  22.523  -7.815 -11.082
   36    H    THR   7           H        THR   7  20.955  -9.211  -9.471
   37    HA   THR   7           HA       THR   7  18.647  -7.749 -10.167
   38    HB   THR   7           HB       THR   7  18.481 -10.456  -8.883
   39    HG1  THR   7           HG1      THR   7  20.340 -10.268 -10.358
   40   HG21  THR   7          HG21      THR   7  16.810 -10.788 -10.656
   41   HG22  THR   7          HG22      THR   7  17.190  -9.198 -11.320
   42   HG23  THR   7          HG23      THR   7  16.448  -9.335  -9.727
   43    H    SER   8           H        SER   8  19.908  -8.988  -7.117
   44    HA   SER   8           HA       SER   8  17.666  -8.566  -5.478
   45    HB2  SER   8           HB2      SER   8  20.508  -8.068  -4.596
   46    HB3  SER   8           HB3      SER   8  19.161  -8.678  -3.639
   47    HG   SER   8           HG       SER   8  20.851 -10.190  -4.616
   48    H    SER   9           H        SER   9  19.803  -6.356  -7.011
   49    HA   SER   9           HA       SER   9  19.704  -4.109  -5.385
   50    HB2  SER   9           HB2      SER   9  21.017  -4.358  -7.511
   51    HB3  SER   9           HB3      SER   9  19.521  -4.103  -8.406
   52    HG   SER   9           HG       SER   9  20.609  -2.329  -6.469
   53    H    GLU  10           H        GLU  10  17.208  -5.581  -7.298
   54    HA   GLU  10           HA       GLU  10  15.452  -3.445  -7.672
   55    HB2  GLU  10           HB2      GLU  10  15.357  -6.048  -8.317
   56    HB3  GLU  10           HB3      GLU  10  14.280  -6.069  -6.919
   57    HG2  GLU  10           HG2      GLU  10  13.087  -4.075  -7.982
   58    HG3  GLU  10           HG3      GLU  10  14.012  -4.424  -9.443
   59    H    ILE  11           H        ILE  11  15.967  -5.532  -4.880
   60    HA   ILE  11           HA       ILE  11  14.130  -3.821  -3.321
   61    HB   ILE  11           HB       ILE  11  15.117  -6.492  -2.359
   62   HG12  ILE  11          HG12      ILE  11  14.193  -6.706  -4.729
   63   HG13  ILE  11          HG13      ILE  11  13.368  -7.660  -3.498
   64   HG21  ILE  11          HG21      ILE  11  12.485  -6.245  -1.670
   65   HG22  ILE  11          HG22      ILE  11  12.985  -4.556  -1.682
   66   HG23  ILE  11          HG23      ILE  11  13.825  -5.717  -0.656
   67   HD11  ILE  11          HD11      ILE  11  11.487  -6.291  -3.496
   68   HD12  ILE  11          HD12      ILE  11  11.965  -6.201  -5.190
   69   HD13  ILE  11          HD13      ILE  11  12.379  -4.890  -4.086
   70    H    THR  12           H        THR  12  15.091  -4.621  -0.772
   71    HA   THR  12           HA       THR  12  16.579  -3.772   0.783
   72    HB   THR  12           HB       THR  12  18.860  -4.578   0.494
   73    HG1  THR  12           HG1      THR  12  18.010  -4.816  -2.182
   74   HG21  THR  12          HG21      THR  12  17.897  -6.943  -0.658
   75   HG22  THR  12          HG22      THR  12  16.488  -6.205   0.101
   76   HG23  THR  12          HG23      THR  12  17.928  -6.548   1.059
   77    H    THR  13           H        THR  13  15.821  -2.049  -1.595
   78    HA   THR  13           HA       THR  13  18.023  -0.431  -2.314
   79    HB   THR  13           HB       THR  13  15.430   0.941  -2.126
   80    HG1  THR  13           HG1      THR  13  14.275  -0.605  -2.908
   81   HG21  THR  13          HG21      THR  13  17.448   1.595  -3.508
   82   HG22  THR  13          HG22      THR  13  15.937   1.491  -4.410
   83   HG23  THR  13          HG23      THR  13  17.121   0.189  -4.520
   84    H    LYS  14           H        LYS  14  15.621  -0.164   0.287
   85    HA   LYS  14           HA       LYS  14  16.643   2.295   1.315
   86    HB2  LYS  14           HB2      LYS  14  15.378   1.048   3.438
   87    HB3  LYS  14           HB3      LYS  14  14.602   2.106   2.259
   88    HG2  LYS  14           HG2      LYS  14  13.940   0.248   0.897
   89    HG3  LYS  14           HG3      LYS  14  14.943  -0.868   1.822
   90    HD2  LYS  14           HD2      LYS  14  13.546  -0.468   3.820
   91    HD3  LYS  14           HD3      LYS  14  12.534   0.634   2.887
   92    HE2  LYS  14           HE2      LYS  14  11.286  -1.242   2.517
   93    HE3  LYS  14           HE3      LYS  14  12.494  -1.552   1.269
   94    HZ1  LYS  14           HZ1      LYS  14  13.520  -2.441   3.709
   95    HZ2  LYS  14           HZ2      LYS  14  13.087  -3.369   2.354
   96    HZ3  LYS  14           HZ3      LYS  14  11.944  -3.055   3.571
   97    H    ASP  15           H        ASP  15  17.230  -1.109   1.992
   98    HA   ASP  15           HA       ASP  15  18.822  -0.768   4.312
   99    HB2  ASP  15           HB2      ASP  15  18.282  -2.905   2.359
  100    HB3  ASP  15           HB3      ASP  15  19.865  -2.990   3.131
  101    H    LEU  16           H        LEU  16  19.424  -0.595   0.890
  102    HA   LEU  16           HA       LEU  16  22.203  -0.698   0.785
  103    HB2  LEU  16           HB2      LEU  16  20.120  -0.102  -0.983
  104    HB3  LEU  16           HB3      LEU  16  21.121   1.352  -0.968
  105    HG   LEU  16           HG       LEU  16  23.123  -0.296  -1.193
  106   HD11  LEU  16          HD11      LEU  16  21.333  -2.225  -0.823
  107   HD12  LEU  16          HD12      LEU  16  22.717  -2.467  -1.890
  108   HD13  LEU  16          HD13      LEU  16  21.138  -2.065  -2.568
  109   HD21  LEU  16          HD21      LEU  16  22.088  -0.579  -3.778
  110   HD22  LEU  16          HD22      LEU  16  23.048   0.775  -3.181
  111   HD23  LEU  16          HD23      LEU  16  21.287   0.859  -3.140
  112    H    LYS  17           H        LYS  17  20.057   1.786   1.916
  113    HA   LYS  17           HA       LYS  17  21.566   4.089   1.793
  114    HB2  LYS  17           HB2      LYS  17  19.724   3.063   3.950
  115    HB3  LYS  17           HB3      LYS  17  20.475   4.654   4.047
  116    HG2  LYS  17           HG2      LYS  17  18.958   3.783   1.587
  117    HG3  LYS  17           HG3      LYS  17  18.132   4.514   2.964
  118    HD2  LYS  17           HD2      LYS  17  20.010   6.348   2.747
  119    HD3  LYS  17           HD3      LYS  17  20.144   5.735   1.099
  120    HE2  LYS  17           HE2      LYS  17  18.543   7.621   1.238
  121    HE3  LYS  17           HE3      LYS  17  17.745   6.129   0.740
  122    HZ1  LYS  17           HZ1      LYS  17  16.442   6.234   2.509
  123    HZ2  LYS  17           HZ2      LYS  17  17.125   7.737   2.912
  124    HZ3  LYS  17           HZ3      LYS  17  17.777   6.305   3.554
  125    H    GLU  18           H        GLU  18  21.979   1.328   3.910
  126    HA   GLU  18           HA       GLU  18  23.805   2.504   5.732
  127    HB2  GLU  18           HB2      GLU  18  23.268  -0.347   4.904
  128    HB3  GLU  18           HB3      GLU  18  24.490   0.067   6.106
  129    HG2  GLU  18           HG2      GLU  18  22.553  -0.347   7.394
  130    HG3  GLU  18           HG3      GLU  18  22.607   1.411   7.267
  131    H    LYS  19           H        LYS  19  24.206   0.803   2.665
  132    HA   LYS  19           HA       LYS  19  27.035   0.644   2.705
  133    HB2  LYS  19           HB2      LYS  19  24.894   0.341   0.677
  134    HB3  LYS  19           HB3      LYS  19  26.499   0.733   0.061
  135    HG2  LYS  19           HG2      LYS  19  27.458  -1.171   1.263
  136    HG3  LYS  19           HG3      LYS  19  25.883  -1.549   1.961
  137    HD2  LYS  19           HD2      LYS  19  24.985  -1.845  -0.359
  138    HD3  LYS  19           HD3      LYS  19  26.619  -1.615  -0.980
  139    HE2  LYS  19           HE2      LYS  19  26.704  -3.892  -0.793
  140    HE3  LYS  19           HE3      LYS  19  27.100  -3.520   0.884
  141    HZ1  LYS  19           HZ1      LYS  19  24.539  -3.492   1.154
  142    HZ2  LYS  19           HZ2      LYS  19  25.361  -4.978   1.114
  143    HZ3  LYS  19           HZ3      LYS  19  24.548  -4.418  -0.267
  144    H    LYS  20           H        LYS  20  24.804   3.025   1.281
  145    HA   LYS  20           HA       LYS  20  26.815   4.699   0.188
  146    HB2  LYS  20           HB2      LYS  20  23.909   4.897   0.731
  147    HB3  LYS  20           HB3      LYS  20  24.779   6.428   0.637
  148    HG2  LYS  20           HG2      LYS  20  25.534   5.990  -1.570
  149    HG3  LYS  20           HG3      LYS  20  25.123   4.278  -1.455
  150    HD2  LYS  20           HD2      LYS  20  22.753   5.794  -0.923
  151    HD3  LYS  20           HD3      LYS  20  23.486   6.420  -2.401
  152    HE2  LYS  20           HE2      LYS  20  21.890   4.512  -2.786
  153    HE3  LYS  20           HE3      LYS  20  23.517   4.217  -3.398
  154    HZ1  LYS  20           HZ1      LYS  20  24.027   2.946  -1.443
  155    HZ2  LYS  20           HZ2      LYS  20  22.606   2.329  -2.141
  156    HZ3  LYS  20           HZ3      LYS  20  22.520   3.307  -0.754
  157    H    GLU  21           H        GLU  21  25.179   4.605   3.312
  158    HA   GLU  21           HA       GLU  21  26.129   7.003   4.394
  159    HB2  GLU  21           HB2      GLU  21  24.450   5.243   5.351
  160    HB3  GLU  21           HB3      GLU  21  25.892   4.519   6.066
  161    HG2  GLU  21           HG2      GLU  21  25.477   5.995   7.756
  162    HG3  GLU  21           HG3      GLU  21  26.301   7.132   6.689
  163    H    VAL  22           H        VAL  22  27.661   3.874   3.973
  164    HA   VAL  22           HA       VAL  22  29.868   4.201   5.672
  165    HB   VAL  22           HB       VAL  22  29.030   2.187   4.119
  166   HG11  VAL  22          HG11      VAL  22  30.213   1.919   2.127
  167   HG12  VAL  22          HG12      VAL  22  31.490   3.032   2.618
  168   HG13  VAL  22          HG13      VAL  22  29.918   3.658   2.122
  169   HG21  VAL  22          HG21      VAL  22  30.723   2.158   5.979
  170   HG22  VAL  22          HG22      VAL  22  31.953   2.623   4.804
  171   HG23  VAL  22          HG23      VAL  22  31.123   1.076   4.646
  172    H    VAL  23           H        VAL  23  29.046   5.745   2.709
  173    HA   VAL  23           HA       VAL  23  31.383   6.413   1.477
  174    HB   VAL  23           HB       VAL  23  29.169   7.250   0.772
  175   HG11  VAL  23          HG11      VAL  23  27.861   8.526   2.102
  176   HG12  VAL  23          HG12      VAL  23  29.197   9.600   2.515
  177   HG13  VAL  23          HG13      VAL  23  28.966   8.098   3.409
  178   HG21  VAL  23          HG21      VAL  23  30.615   9.796   1.169
  179   HG22  VAL  23          HG22      VAL  23  30.120   9.007  -0.327
  180   HG23  VAL  23          HG23      VAL  23  31.594   8.495   0.493
  181    H    GLU  24           H        GLU  24  30.427   7.236   4.685
  182    HA   GLU  24           HA       GLU  24  31.881   9.527   5.226
  183    HB2  GLU  24           HB2      GLU  24  31.152   7.115   6.839
  184    HB3  GLU  24           HB3      GLU  24  32.294   8.270   7.521
  185    HG2  GLU  24           HG2      GLU  24  30.323   9.209   8.270
  186    HG3  GLU  24           HG3      GLU  24  30.441  10.024   6.714
  187    H    GLU  25           H        GLU  25  32.999   6.210   4.853
  188    HA   GLU  25           HA       GLU  25  35.605   6.435   5.808
  189    HB2  GLU  25           HB2      GLU  25  34.424   4.820   3.550
  190    HB3  GLU  25           HB3      GLU  25  36.131   4.708   3.977
  191    HG2  GLU  25           HG2      GLU  25  34.092   4.469   6.157
  192    HG3  GLU  25           HG3      GLU  25  34.356   3.089   5.092
  193    H    ALA  26           H        ALA  26  34.097   7.960   3.164
  194    HA   ALA  26           HA       ALA  26  36.271   8.363   1.413
  195    HB1  ALA  26           HB1      ALA  26  34.956  10.328   0.616
  196    HB2  ALA  26           HB2      ALA  26  33.844  10.084   1.962
  197    HB3  ALA  26           HB3      ALA  26  34.000   8.849   0.714
  198    H    GLU  27           H        GLU  27  35.538   9.686   4.505
  199    HA   GLU  27           HA       GLU  27  36.891  12.159   4.351
  200    HB2  GLU  27           HB2      GLU  27  36.901  12.116   6.763
  201    HB3  GLU  27           HB3      GLU  27  35.372  11.430   6.214
  202    HG2  GLU  27           HG2      GLU  27  36.542   9.144   6.356
  203    HG3  GLU  27           HG3      GLU  27  37.795   9.975   7.276
  204    H    ASN  28           H        ASN  28  38.039   8.949   4.299
  205    HA   ASN  28           HA       ASN  28  40.703   9.656   5.284
  206    HB2  ASN  28           HB2      ASN  28  40.143   7.537   6.054
  207    HB3  ASN  28           HB3      ASN  28  39.311   7.103   4.563
  208   HD21  ASN  28          HD21      ASN  28  42.606   8.493   4.911
  209   HD22  ASN  28          HD22      ASN  28  43.399   7.173   4.197
  Start of MODEL    7
    1    H1   ACE   0           H1       ACE   0   0.727  10.720  -4.883
    2    H2   ACE   0           H2       ACE   0   1.405   9.158  -5.345
    3    H3   ACE   0           H3       ACE   0   1.720  10.584  -6.335
    4    H    SER   1           H        SER   1   4.001  10.098  -6.068
    5    HA   SER   1           HA       SER   1   6.056  10.202  -5.016
    6    HB2  SER   1           HB2      SER   1   5.984  12.501  -5.209
    7    HB3  SER   1           HB3      SER   1   4.527  12.644  -4.228
    8    HG   SER   1           HG       SER   1   7.033  12.939  -3.470
    9    H    ASP   2           H        ASP   2   4.801  11.784  -2.234
   10    HA   ASP   2           HA       ASP   2   5.940  10.149  -0.345
   11    HB2  ASP   2           HB2      ASP   2   3.455  11.073   0.714
   12    HB3  ASP   2           HB3      ASP   2   5.070  11.722   0.986
   13    H    ALA   3           H        ALA   3   2.910   9.710  -2.055
   14    HA   ALA   3           HA       ALA   3   1.731   7.746  -0.438
   15    HB1  ALA   3           HB1      ALA   3   1.501   7.498  -3.402
   16    HB2  ALA   3           HB2      ALA   3   0.922   8.986  -2.654
   17    HB3  ALA   3           HB3      ALA   3   0.245   7.433  -2.166
   18    H    ALA   4           H        ALA   4   4.445   7.620  -2.572
   19    HA   ALA   4           HA       ALA   4   4.544   4.884  -3.183
   20    HB1  ALA   4           HB1      ALA   4   6.044   6.339  -4.327
   21    HB2  ALA   4           HB2      ALA   4   7.055   5.298  -3.324
   22    HB3  ALA   4           HB3      ALA   4   6.714   6.951  -2.814
   23    H    VAL   5           H        VAL   5   4.819   6.452  -0.190
   24    HA   VAL   5           HA       VAL   5   6.666   5.169   1.319
   25    HB   VAL   5           HB       VAL   5   4.762   6.800   2.028
   26   HG11  VAL   5          HG11      VAL   5   3.482   4.194   2.871
   27   HG12  VAL   5          HG12      VAL   5   3.010   5.028   1.390
   28   HG13  VAL   5          HG13      VAL   5   2.802   5.819   2.953
   29   HG21  VAL   5          HG21      VAL   5   5.645   4.520   3.826
   30   HG22  VAL   5          HG22      VAL   5   5.017   6.073   4.377
   31   HG23  VAL   5          HG23      VAL   5   6.556   5.999   3.520
   32    H    ASP   6           H        ASP   6   3.603   3.871   0.158
   33    HA   ASP   6           HA       ASP   6   3.693   1.412   1.549
   34    HB2  ASP   6           HB2      ASP   6   1.816   2.500   0.021
   35    HB3  ASP   6           HB3      ASP   6   2.592   1.529  -1.231
   36    H    THR   7           H        THR   7   5.049   2.527  -1.491
   37    HA   THR   7           HA       THR   7   6.103   0.067  -2.398
   38    HB   THR   7           HB       THR   7   7.237   2.832  -2.875
   39    HG1  THR   7           HG1      THR   7   5.605   1.724  -4.764
   40   HG21  THR   7          HG21      THR   7   7.485   0.146  -4.210
   41   HG22  THR   7          HG22      THR   7   8.762   1.269  -3.741
   42   HG23  THR   7          HG23      THR   7   7.735   1.631  -5.128
   43    H    SER   8           H        SER   8   7.328   2.582  -0.238
   44    HA   SER   8           HA       SER   8   9.983   1.855   0.017
   45    HB2  SER   8           HB2      SER   8   8.154   3.455   1.468
   46    HB3  SER   8           HB3      SER   8   8.926   2.389   2.639
   47    HG   SER   8           HG       SER   8  10.945   3.038   1.508
   48    H    SER   9           H        SER   9   7.237  -0.011   0.800
   49    HA   SER   9           HA       SER   9   8.059  -1.576   2.940
   50    HB2  SER   9           HB2      SER   9   6.430  -2.243   0.492
   51    HB3  SER   9           HB3      SER   9   6.719  -3.421   1.767
   52    HG   SER   9           HG       SER   9   5.996  -1.432   3.117
   53    H    GLU  10           H        GLU  10   9.409  -1.333  -0.195
   54    HA   GLU  10           HA       GLU  10  10.556  -3.919  -0.445
   55    HB2  GLU  10           HB2      GLU  10  11.162  -1.222  -1.636
   56    HB3  GLU  10           HB3      GLU  10  12.218  -2.601  -1.945
   57    HG2  GLU  10           HG2      GLU  10   9.460  -3.392  -2.272
   58    HG3  GLU  10           HG3      GLU  10   9.793  -1.970  -3.257
   59    H    ILE  11           H        ILE  11  11.365  -1.110   1.398
   60    HA   ILE  11           HA       ILE  11  13.123  -0.568   2.765
   61    HB   ILE  11           HB       ILE  11  12.057  -2.473   3.973
   62   HG12  ILE  11          HG12      ILE  11  15.071  -2.432   4.287
   63   HG13  ILE  11          HG13      ILE  11  14.024  -1.127   4.846
   64   HG21  ILE  11          HG21      ILE  11  12.408  -4.365   2.608
   65   HG22  ILE  11          HG22      ILE  11  13.522  -4.608   3.950
   66   HG23  ILE  11          HG23      ILE  11  14.124  -4.018   2.405
   67   HD11  ILE  11          HD11      ILE  11  12.735  -2.869   6.165
   68   HD12  ILE  11          HD12      ILE  11  14.385  -2.584   6.723
   69   HD13  ILE  11          HD13      ILE  11  14.015  -4.014   5.759
   70    H    THR  12           H        THR  12  13.706  -2.250  -0.040
   71    HA   THR  12           HA       THR  12  16.427  -2.988   0.263
   72    HB   THR  12           HB       THR  12  15.569  -2.082  -2.412
   73    HG1  THR  12           HG1      THR  12  13.767  -3.125  -2.428
   74   HG21  THR  12          HG21      THR  12  17.558  -3.613  -1.542
   75   HG22  THR  12          HG22      THR  12  16.778  -3.929  -3.092
   76   HG23  THR  12          HG23      THR  12  16.332  -4.875  -1.672
   77    H    THR  13           H        THR  13  14.805   0.016  -0.531
   78    HA   THR  13           HA       THR  13  17.100   1.417  -1.450
   79    HB   THR  13           HB       THR  13  15.664   3.144  -1.725
   80    HG1  THR  13           HG1      THR  13  14.444   2.644   0.774
   81   HG21  THR  13          HG21      THR  13  13.401   2.478  -1.966
   82   HG22  THR  13          HG22      THR  13  13.522   1.309  -0.650
   83   HG23  THR  13          HG23      THR  13  14.329   0.996  -2.186
   84    H    LYS  14           H        LYS  14  15.762   0.728   1.710
   85    HA   LYS  14           HA       LYS  14  17.392   2.620   3.119
   86    HB2  LYS  14           HB2      LYS  14  15.187   1.179   3.807
   87    HB3  LYS  14           HB3      LYS  14  16.455   0.224   4.578
   88    HG2  LYS  14           HG2      LYS  14  17.333   2.552   5.405
   89    HG3  LYS  14           HG3      LYS  14  15.689   3.089   5.063
   90    HD2  LYS  14           HD2      LYS  14  15.531   2.413   7.300
   91    HD3  LYS  14           HD3      LYS  14  14.982   0.977   6.435
   92    HE2  LYS  14           HE2      LYS  14  17.028  -0.150   6.761
   93    HE3  LYS  14           HE3      LYS  14  17.892   1.339   7.140
   94    HZ1  LYS  14           HZ1      LYS  14  16.050  -0.217   8.823
   95    HZ2  LYS  14           HZ2      LYS  14  16.219   1.452   9.092
   96    HZ3  LYS  14           HZ3      LYS  14  17.570   0.428   9.207
   97    H    ASP  15           H        ASP  15  17.594  -0.822   2.354
   98    HA   ASP  15           HA       ASP  15  19.912  -1.459   3.816
   99    HB2  ASP  15           HB2      ASP  15  18.430  -2.584   1.537
  100    HB3  ASP  15           HB3      ASP  15  20.153  -2.949   1.521
  101    H    LEU  16           H        LEU  16  19.368   0.031   0.698
  102    HA   LEU  16           HA       LEU  16  21.965   0.109  -0.326
  103    HB2  LEU  16           HB2      LEU  16  19.771   0.847  -1.434
  104    HB3  LEU  16           HB3      LEU  16  19.976   2.371  -0.570
  105    HG   LEU  16           HG       LEU  16  22.421   1.506  -1.942
  106   HD11  LEU  16          HD11      LEU  16  21.362   2.341  -4.183
  107   HD12  LEU  16          HD12      LEU  16  19.839   1.836  -3.451
  108   HD13  LEU  16          HD13      LEU  16  21.127   0.661  -3.705
  109   HD21  LEU  16          HD21      LEU  16  20.699   4.001  -1.919
  110   HD22  LEU  16          HD22      LEU  16  22.239   3.881  -2.770
  111   HD23  LEU  16          HD23      LEU  16  22.188   3.731  -1.014
  112    H    LYS  17           H        LYS  17  20.396   1.946   2.182
  113    HA   LYS  17           HA       LYS  17  22.099   4.152   2.388
  114    HB2  LYS  17           HB2      LYS  17  19.937   3.736   3.657
  115    HB3  LYS  17           HB3      LYS  17  20.879   2.717   4.747
  116    HG2  LYS  17           HG2      LYS  17  22.318   5.154   4.393
  117    HG3  LYS  17           HG3      LYS  17  20.642   5.571   4.753
  118    HD2  LYS  17           HD2      LYS  17  22.244   3.567   6.362
  119    HD3  LYS  17           HD3      LYS  17  22.105   5.272   6.794
  120    HE2  LYS  17           HE2      LYS  17  19.518   4.016   6.210
  121    HE3  LYS  17           HE3      LYS  17  20.353   3.282   7.580
  122    HZ1  LYS  17           HZ1      LYS  17  20.364   6.188   7.466
  123    HZ2  LYS  17           HZ2      LYS  17  20.194   5.152   8.801
  124    HZ3  LYS  17           HZ3      LYS  17  18.865   5.463   7.790
  125    H    GLU  18           H        GLU  18  22.401   0.891   3.693
  126    HA   GLU  18           HA       GLU  18  24.645   1.257   5.326
  127    HB2  GLU  18           HB2      GLU  18  23.078  -0.867   4.713
  128    HB3  GLU  18           HB3      GLU  18  24.523  -1.266   3.784
  129    HG2  GLU  18           HG2      GLU  18  24.701  -2.211   6.034
  130    HG3  GLU  18           HG3      GLU  18  25.901  -0.938   5.824
  131    H    LYS  19           H        LYS  19  24.377   0.620   1.866
  132    HA   LYS  19           HA       LYS  19  27.201   0.394   1.417
  133    HB2  LYS  19           HB2      LYS  19  26.016  -0.655  -0.269
  134    HB3  LYS  19           HB3      LYS  19  24.750   0.570  -0.287
  135    HG2  LYS  19           HG2      LYS  19  26.032   2.064  -1.565
  136    HG3  LYS  19           HG3      LYS  19  27.551   1.275  -1.136
  137    HD2  LYS  19           HD2      LYS  19  27.135  -0.564  -2.570
  138    HD3  LYS  19           HD3      LYS  19  25.423  -0.167  -2.718
  139    HE2  LYS  19           HE2      LYS  19  25.793   1.414  -4.324
  140    HE3  LYS  19           HE3      LYS  19  27.298   1.957  -3.582
  141    HZ1  LYS  19           HZ1      LYS  19  28.272   0.857  -5.241
  142    HZ2  LYS  19           HZ2      LYS  19  26.869  -0.018  -5.628
  143    HZ3  LYS  19           HZ3      LYS  19  27.892  -0.554  -4.381
  144    H    LYS  20           H        LYS  20  24.812   2.980   1.200
  145    HA   LYS  20           HA       LYS  20  26.592   4.913   0.069
  146    HB2  LYS  20           HB2      LYS  20  23.980   4.908   0.180
  147    HB3  LYS  20           HB3      LYS  20  24.222   5.636   1.768
  148    HG2  LYS  20           HG2      LYS  20  25.931   7.150   0.338
  149    HG3  LYS  20           HG3      LYS  20  24.772   6.756  -0.932
  150    HD2  LYS  20           HD2      LYS  20  22.932   7.503   0.606
  151    HD3  LYS  20           HD3      LYS  20  24.168   8.051   1.739
  152    HE2  LYS  20           HE2      LYS  20  23.203   9.786   0.071
  153    HE3  LYS  20           HE3      LYS  20  24.954   9.714   0.267
  154    HZ1  LYS  20           HZ1      LYS  20  24.099   9.746  -2.085
  155    HZ2  LYS  20           HZ2      LYS  20  23.523   8.171  -1.815
  156    HZ3  LYS  20           HZ3      LYS  20  25.186   8.499  -1.711
  157    H    GLU  21           H        GLU  21  25.827   3.781   3.262
  158    HA   GLU  21           HA       GLU  21  26.828   5.904   4.805
  159    HB2  GLU  21           HB2      GLU  21  25.453   4.021   5.676
  160    HB3  GLU  21           HB3      GLU  21  26.844   2.955   5.482
  161    HG2  GLU  21           HG2      GLU  21  27.972   5.009   6.875
  162    HG3  GLU  21           HG3      GLU  21  26.332   5.033   7.521
  163    H    VAL  22           H        VAL  22  28.448   3.041   3.446
  164    HA   VAL  22           HA       VAL  22  30.925   3.373   4.724
  165    HB   VAL  22           HB       VAL  22  31.835   1.920   3.041
  166   HG11  VAL  22          HG11      VAL  22  28.921   1.155   3.335
  167   HG12  VAL  22          HG12      VAL  22  30.073   1.051   4.668
  168   HG13  VAL  22          HG13      VAL  22  30.314   0.078   3.216
  169   HG21  VAL  22          HG21      VAL  22  29.937   3.294   1.356
  170   HG22  VAL  22          HG22      VAL  22  29.686   1.555   1.226
  171   HG23  VAL  22          HG23      VAL  22  31.271   2.245   0.882
  172    H    VAL  23           H        VAL  23  29.532   5.057   1.994
  173    HA   VAL  23           HA       VAL  23  31.862   6.091   0.821
  174    HB   VAL  23           HB       VAL  23  29.116   7.345   1.043
  175   HG11  VAL  23          HG11      VAL  23  30.489   8.082  -1.334
  176   HG12  VAL  23          HG12      VAL  23  31.599   8.363   0.006
  177   HG13  VAL  23          HG13      VAL  23  30.012   9.129   0.001
  178   HG21  VAL  23          HG21      VAL  23  28.712   5.419  -0.166
  179   HG22  VAL  23          HG22      VAL  23  30.381   5.293  -0.718
  180   HG23  VAL  23          HG23      VAL  23  29.287   6.449  -1.478
  181    H    GLU  24           H        GLU  24  30.006   7.200   3.604
  182    HA   GLU  24           HA       GLU  24  31.189   9.711   3.948
  183    HB2  GLU  24           HB2      GLU  24  29.492   7.974   5.446
  184    HB3  GLU  24           HB3      GLU  24  30.775   8.544   6.513
  185    HG2  GLU  24           HG2      GLU  24  30.273  10.851   5.998
  186    HG3  GLU  24           HG3      GLU  24  29.136  10.372   4.738
  187    H    GLU  25           H        GLU  25  32.276   6.498   4.885
  188    HA   GLU  25           HA       GLU  25  34.440   7.214   6.521
  189    HB2  GLU  25           HB2      GLU  25  34.417   4.876   4.603
  190    HB3  GLU  25           HB3      GLU  25  35.267   5.002   6.144
  191    HG2  GLU  25           HG2      GLU  25  33.170   5.023   7.362
  192    HG3  GLU  25           HG3      GLU  25  32.251   5.084   5.859
  193    H    ALA  26           H        ALA  26  33.891   7.736   3.220
  194    HA   ALA  26           HA       ALA  26  36.455   7.562   2.106
  195    HB1  ALA  26           HB1      ALA  26  34.351   7.925   0.820
  196    HB2  ALA  26           HB2      ALA  26  35.639   9.045   0.374
  197    HB3  ALA  26           HB3      ALA  26  34.321   9.586   1.414
  198    H    GLU  27           H        GLU  27  34.876  10.252   3.764
  199    HA   GLU  27           HA       GLU  27  37.016  12.095   3.411
  200    HB2  GLU  27           HB2      GLU  27  34.859  12.077   5.533
  201    HB3  GLU  27           HB3      GLU  27  35.862  13.453   5.078
  202    HG2  GLU  27           HG2      GLU  27  34.428  13.964   3.426
  203    HG3  GLU  27           HG3      GLU  27  34.702  12.384   2.695
  204    H    ASN  28           H        ASN  28  37.157   9.268   4.956
  205    HA   ASN  28           HA       ASN  28  38.952  10.312   7.066
  206    HB2  ASN  28           HB2      ASN  28  37.545   7.646   7.171
  207    HB3  ASN  28           HB3      ASN  28  38.353   8.504   8.482
  208   HD21  ASN  28          HD21      ASN  28  37.258  10.438   9.367
  209   HD22  ASN  28          HD22      ASN  28  35.593  10.664   9.127
  Start of MODEL    8
    1    H1   ACE   0           H1       ACE   0   0.093 -10.633  -5.363
    2    H2   ACE   0           H2       ACE   0   1.625 -10.740  -6.231
    3    H3   ACE   0           H3       ACE   0   0.211 -10.044  -7.021
    4    H    SER   1           H        SER   1   2.103  -8.369  -7.267
    5    HA   SER   1           HA       SER   1   3.170  -6.424  -6.570
    6    HB2  SER   1           HB2      SER   1   0.533  -6.062  -7.080
    7    HB3  SER   1           HB3      SER   1   0.627  -5.434  -5.439
    8    HG   SER   1           HG       SER   1   2.360  -4.111  -6.149
    9    H    ASP   2           H        ASP   2   0.699  -6.372  -4.053
   10    HA   ASP   2           HA       ASP   2   2.362  -5.504  -2.007
   11    HB2  ASP   2           HB2      ASP   2   0.022  -7.355  -1.552
   12    HB3  ASP   2           HB3      ASP   2   0.619  -6.073  -0.499
   13    H    ALA   3           H        ALA   3   1.668  -8.765  -3.137
   14    HA   ALA   3           HA       ALA   3   2.753 -10.310  -1.115
   15    HB1  ALA   3           HB1      ALA   3   3.325 -10.947  -3.997
   16    HB2  ALA   3           HB2      ALA   3   1.671 -10.999  -3.385
   17    HB3  ALA   3           HB3      ALA   3   2.907 -12.042  -2.680
   18    H    ALA   4           H        ALA   4   4.343  -8.262  -3.442
   19    HA   ALA   4           HA       ALA   4   6.917  -9.201  -3.541
   20    HB1  ALA   4           HB1      ALA   4   6.359  -7.224  -4.764
   21    HB2  ALA   4           HB2      ALA   4   7.606  -6.759  -3.606
   22    HB3  ALA   4           HB3      ALA   4   5.917  -6.359  -3.292
   23    H    VAL   5           H        VAL   5   5.212  -8.008  -0.801
   24    HA   VAL   5           HA       VAL   5   7.176  -7.095   0.889
   25    HB   VAL   5           HB       VAL   5   4.635  -8.623   1.355
   26   HG11  VAL   5          HG11      VAL   5   5.757  -9.486   3.189
   27   HG12  VAL   5          HG12      VAL   5   5.221  -7.945   3.860
   28   HG13  VAL   5          HG13      VAL   5   6.876  -8.126   3.277
   29   HG21  VAL   5          HG21      VAL   5   5.486  -5.945   2.460
   30   HG22  VAL   5          HG22      VAL   5   3.853  -6.548   2.175
   31   HG23  VAL   5          HG23      VAL   5   4.874  -6.089   0.812
   32    H    ASP   6           H        ASP   6   6.312 -10.398   0.020
   33    HA   ASP   6           HA       ASP   6   7.928 -11.748   1.886
   34    HB2  ASP   6           HB2      ASP   6   6.354 -12.434  -0.397
   35    HB3  ASP   6           HB3      ASP   6   7.941 -13.179  -0.585
   36    H    THR   7           H        THR   7   8.596 -10.362  -1.284
   37    HA   THR   7           HA       THR   7  11.233 -11.330  -1.577
   38    HB   THR   7           HB       THR   7  10.004  -8.758  -2.610
   39    HG1  THR   7           HG1      THR   7   8.978 -10.374  -3.594
   40   HG21  THR   7          HG21      THR   7  12.344  -8.444  -2.719
   41   HG22  THR   7          HG22      THR   7  11.910  -9.053  -4.316
   42   HG23  THR   7          HG23      THR   7  12.635 -10.134  -3.126
   43    H    SER   8           H        SER   8   9.817  -8.611   0.153
   44    HA   SER   8           HA       SER   8  11.973  -7.026   0.741
   45    HB2  SER   8           HB2      SER   8  10.169  -7.927   2.970
   46    HB3  SER   8           HB3      SER   8  10.849  -6.330   2.675
   47    HG   SER   8           HG       SER   8   9.205  -5.906   1.446
   48    H    SER   9           H        SER   9  11.356 -10.284   1.829
   49    HA   SER   9           HA       SER   9  13.103 -10.509   3.982
   50    HB2  SER   9           HB2      SER   9  12.886 -12.794   3.738
   51    HB3  SER   9           HB3      SER   9  11.500 -12.255   2.797
   52    HG   SER   9           HG       SER   9  14.087 -12.749   1.733
   53    H    GLU  10           H        GLU  10  13.767 -10.873   0.506
   54    HA   GLU  10           HA       GLU  10  16.519 -11.470   0.744
   55    HB2  GLU  10           HB2      GLU  10  15.165  -9.995  -1.526
   56    HB3  GLU  10           HB3      GLU  10  16.667 -10.918  -1.603
   57    HG2  GLU  10           HG2      GLU  10  14.495 -12.509  -0.495
   58    HG3  GLU  10           HG3      GLU  10  14.095 -11.898  -2.100
   59    H    ILE  11           H        ILE  11  14.794  -8.682   1.457
   60    HA   ILE  11           HA       ILE  11  15.336  -6.446   1.685
   61    HB   ILE  11           HB       ILE  11  17.387  -6.163   3.121
   62   HG12  ILE  11          HG12      ILE  11  17.501  -9.187   2.902
   63   HG13  ILE  11          HG13      ILE  11  18.633  -8.094   2.103
   64   HG21  ILE  11          HG21      ILE  11  16.358  -7.172   5.024
   65   HG22  ILE  11          HG22      ILE  11  15.614  -8.434   4.042
   66   HG23  ILE  11          HG23      ILE  11  15.036  -6.772   3.927
   67   HD11  ILE  11          HD11      ILE  11  18.138  -8.083   5.092
   68   HD12  ILE  11          HD12      ILE  11  19.418  -7.243   4.215
   69   HD13  ILE  11          HD13      ILE  11  19.435  -9.003   4.328
   70    H    THR  12           H        THR  12  17.529  -4.981   1.708
   71    HA   THR  12           HA       THR  12  19.616  -4.653   0.414
   72    HB   THR  12           HB       THR  12  17.842  -5.545  -1.875
   73    HG1  THR  12           HG1      THR  12  18.798  -7.388  -1.606
   74   HG21  THR  12          HG21      THR  12  19.199  -3.868  -2.786
   75   HG22  THR  12          HG22      THR  12  20.153  -5.326  -3.061
   76   HG23  THR  12          HG23      THR  12  20.552  -4.251  -1.722
   77    H    THR  13           H        THR  13  16.488  -3.617   0.699
   78    HA   THR  13           HA       THR  13  16.642  -1.297  -1.021
   79    HB   THR  13           HB       THR  13  14.651  -1.022   1.029
   80    HG1  THR  13           HG1      THR  13  14.289  -3.399  -0.387
   81   HG21  THR  13          HG21      THR  13  14.511  -0.109  -1.248
   82   HG22  THR  13          HG22      THR  13  13.140  -1.170  -0.922
   83   HG23  THR  13          HG23      THR  13  14.483  -1.744  -1.910
   84    H    LYS  14           H        LYS  14  16.723  -1.910   2.478
   85    HA   LYS  14           HA       LYS  14  17.320   0.817   3.146
   86    HB2  LYS  14           HB2      LYS  14  16.548  -1.511   4.534
   87    HB3  LYS  14           HB3      LYS  14  18.134  -1.078   5.173
   88    HG2  LYS  14           HG2      LYS  14  17.403   1.108   5.784
   89    HG3  LYS  14           HG3      LYS  14  15.918   0.952   4.844
   90    HD2  LYS  14           HD2      LYS  14  16.473  -1.008   7.050
   91    HD3  LYS  14           HD3      LYS  14  15.850   0.593   7.451
   92    HE2  LYS  14           HE2      LYS  14  14.577  -1.442   5.602
   93    HE3  LYS  14           HE3      LYS  14  13.961  -0.896   7.162
   94    HZ1  LYS  14           HZ1      LYS  14  12.805   0.278   5.475
   95    HZ2  LYS  14           HZ2      LYS  14  14.245   0.703   4.680
   96    HZ3  LYS  14           HZ3      LYS  14  13.877   1.377   6.195
   97    H    ASP  15           H        ASP  15  19.160  -2.098   2.530
   98    HA   ASP  15           HA       ASP  15  21.651  -1.348   3.559
   99    HB2  ASP  15           HB2      ASP  15  20.944  -3.016   1.147
  100    HB3  ASP  15           HB3      ASP  15  22.568  -2.892   1.821
  101    H    LEU  16           H        LEU  16  20.066  -0.589   0.516
  102    HA   LEU  16           HA       LEU  16  22.176   0.517  -0.915
  103    HB2  LEU  16           HB2      LEU  16  19.495   0.239  -1.330
  104    HB3  LEU  16           HB3      LEU  16  19.608   1.977  -1.060
  105    HG   LEU  16           HG       LEU  16  21.668   1.772  -2.717
  106   HD11  LEU  16          HD11      LEU  16  21.026  -0.840  -2.687
  107   HD12  LEU  16          HD12      LEU  16  21.710  -0.058  -4.112
  108   HD13  LEU  16          HD13      LEU  16  19.969  -0.317  -3.998
  109   HD21  LEU  16          HD21      LEU  16  18.720   1.928  -3.266
  110   HD22  LEU  16          HD22      LEU  16  19.841   1.917  -4.627
  111   HD23  LEU  16          HD23      LEU  16  19.949   3.186  -3.408
  112    H    LYS  17           H        LYS  17  20.325   1.745   1.766
  113    HA   LYS  17           HA       LYS  17  21.195   4.469   1.563
  114    HB2  LYS  17           HB2      LYS  17  20.102   2.924   3.926
  115    HB3  LYS  17           HB3      LYS  17  20.358   4.668   3.892
  116    HG2  LYS  17           HG2      LYS  17  18.578   3.151   1.960
  117    HG3  LYS  17           HG3      LYS  17  18.002   4.046   3.367
  118    HD2  LYS  17           HD2      LYS  17  19.622   5.894   2.110
  119    HD3  LYS  17           HD3      LYS  17  18.880   5.048   0.751
  120    HE2  LYS  17           HE2      LYS  17  17.437   6.373   3.065
  121    HE3  LYS  17           HE3      LYS  17  17.448   6.910   1.385
  122    HZ1  LYS  17           HZ1      LYS  17  16.639   4.352   1.169
  123    HZ2  LYS  17           HZ2      LYS  17  15.598   5.695   1.222
  124    HZ3  LYS  17           HZ3      LYS  17  15.920   4.809   2.635
  125    H    GLU  18           H        GLU  18  22.431   1.581   3.110
  126    HA   GLU  18           HA       GLU  18  24.314   2.771   4.828
  127    HB2  GLU  18           HB2      GLU  18  23.536   0.218   4.380
  128    HB3  GLU  18           HB3      GLU  18  25.085   0.220   3.535
  129    HG2  GLU  18           HG2      GLU  18  25.579  -0.393   5.791
  130    HG3  GLU  18           HG3      GLU  18  26.076   1.290   5.629
  131    H    LYS  19           H        LYS  19  24.385   2.021   1.399
  132    HA   LYS  19           HA       LYS  19  27.155   2.374   0.971
  133    HB2  LYS  19           HB2      LYS  19  24.720   2.609  -0.785
  134    HB3  LYS  19           HB3      LYS  19  26.311   3.047  -1.402
  135    HG2  LYS  19           HG2      LYS  19  26.897   0.646  -0.274
  136    HG3  LYS  19           HG3      LYS  19  25.215   0.372  -0.728
  137    HD2  LYS  19           HD2      LYS  19  27.367   1.406  -2.598
  138    HD3  LYS  19           HD3      LYS  19  26.788  -0.259  -2.548
  139    HE2  LYS  19           HE2      LYS  19  24.666   0.317  -3.365
  140    HE3  LYS  19           HE3      LYS  19  24.844   2.010  -2.903
  141    HZ1  LYS  19           HZ1      LYS  19  26.590   2.214  -4.594
  142    HZ2  LYS  19           HZ2      LYS  19  25.090   1.783  -5.267
  143    HZ3  LYS  19           HZ3      LYS  19  26.306   0.613  -5.077
  144    H    LYS  20           H        LYS  20  24.434   4.652   0.956
  145    HA   LYS  20           HA       LYS  20  25.996   6.905   0.156
  146    HB2  LYS  20           HB2      LYS  20  23.310   6.625   1.508
  147    HB3  LYS  20           HB3      LYS  20  24.033   8.201   1.185
  148    HG2  LYS  20           HG2      LYS  20  22.809   7.909  -0.764
  149    HG3  LYS  20           HG3      LYS  20  24.343   7.188  -1.250
  150    HD2  LYS  20           HD2      LYS  20  23.234   5.011  -0.173
  151    HD3  LYS  20           HD3      LYS  20  21.749   5.862  -0.596
  152    HE2  LYS  20           HE2      LYS  20  24.027   5.255  -2.502
  153    HE3  LYS  20           HE3      LYS  20  22.488   4.396  -2.442
  154    HZ1  LYS  20           HZ1      LYS  20  22.751   7.312  -2.924
  155    HZ2  LYS  20           HZ2      LYS  20  21.334   6.382  -3.030
  156    HZ3  LYS  20           HZ3      LYS  20  22.587   6.157  -4.154
  157    H    GLU  21           H        GLU  21  24.782   5.812   3.323
  158    HA   GLU  21           HA       GLU  21  26.079   7.827   4.834
  159    HB2  GLU  21           HB2      GLU  21  24.674   5.289   5.370
  160    HB3  GLU  21           HB3      GLU  21  25.899   5.718   6.566
  161    HG2  GLU  21           HG2      GLU  21  24.038   7.867   5.645
  162    HG3  GLU  21           HG3      GLU  21  23.404   6.645   6.747
  163    H    VAL  22           H        VAL  22  27.057   4.649   3.685
  164    HA   VAL  22           HA       VAL  22  29.414   4.337   5.178
  165    HB   VAL  22           HB       VAL  22  28.463   3.294   2.529
  166   HG11  VAL  22          HG11      VAL  22  31.230   3.223   3.675
  167   HG12  VAL  22          HG12      VAL  22  30.720   3.320   1.990
  168   HG13  VAL  22          HG13      VAL  22  30.620   1.786   2.854
  169   HG21  VAL  22          HG21      VAL  22  27.981   1.403   3.730
  170   HG22  VAL  22          HG22      VAL  22  27.959   2.533   5.085
  171   HG23  VAL  22          HG23      VAL  22  29.403   1.573   4.759
  172    H    VAL  23           H        VAL  23  28.755   6.149   2.224
  173    HA   VAL  23           HA       VAL  23  31.263   6.605   1.211
  174    HB   VAL  23           HB       VAL  23  28.910   8.474   1.481
  175   HG11  VAL  23          HG11      VAL  23  30.470  10.122   1.173
  176   HG12  VAL  23          HG12      VAL  23  30.393   9.576  -0.502
  177   HG13  VAL  23          HG13      VAL  23  31.682   9.000   0.555
  178   HG21  VAL  23          HG21      VAL  23  30.121   7.227  -0.994
  179   HG22  VAL  23          HG22      VAL  23  28.510   7.917  -0.799
  180   HG23  VAL  23          HG23      VAL  23  28.913   6.386  -0.024
  181    H    GLU  24           H        GLU  24  29.912   7.814   4.189
  182    HA   GLU  24           HA       GLU  24  31.671   9.946   4.683
  183    HB2  GLU  24           HB2      GLU  24  29.909   8.211   6.304
  184    HB3  GLU  24           HB3      GLU  24  31.223   9.004   7.176
  185    HG2  GLU  24           HG2      GLU  24  29.452  10.541   5.277
  186    HG3  GLU  24           HG3      GLU  24  28.988  10.293   6.959
  187    H    GLU  25           H        GLU  25  31.995   6.478   5.225
  188    HA   GLU  25           HA       GLU  25  34.350   6.505   6.756
  189    HB2  GLU  25           HB2      GLU  25  32.705   4.543   5.903
  190    HB3  GLU  25           HB3      GLU  25  34.039   4.325   4.769
  191    HG2  GLU  25           HG2      GLU  25  35.623   4.279   6.698
  192    HG3  GLU  25           HG3      GLU  25  34.245   4.379   7.794
  193    H    ALA  26           H        ALA  26  33.795   7.420   3.546
  194    HA   ALA  26           HA       ALA  26  36.223   6.720   2.293
  195    HB1  ALA  26           HB1      ALA  26  35.681   8.409   0.659
  196    HB2  ALA  26           HB2      ALA  26  34.577   9.206   1.779
  197    HB3  ALA  26           HB3      ALA  26  34.182   7.611   1.138
  198    H    GLU  27           H        GLU  27  35.412   9.211   4.585
  199    HA   GLU  27           HA       GLU  27  37.350  11.124   4.224
  200    HB2  GLU  27           HB2      GLU  27  37.234  11.539   6.624
  201    HB3  GLU  27           HB3      GLU  27  35.620  11.173   6.012
  202    HG2  GLU  27           HG2      GLU  27  35.771   8.890   6.805
  203    HG3  GLU  27           HG3      GLU  27  37.457   9.116   7.265
  204    H    ASN  28           H        ASN  28  37.878   7.852   4.588
  205    HA   ASN  28           HA       ASN  28  40.698   8.328   5.348
  206    HB2  ASN  28           HB2      ASN  28  39.400   7.208   7.178
  207    HB3  ASN  28           HB3      ASN  28  39.093   5.869   6.072
  208   HD21  ASN  28          HD21      ASN  28  41.317   5.106   4.939
  209   HD22  ASN  28          HD22      ASN  28  42.615   4.909   6.015
  Start of MODEL    9
    1    H1   ACE   0           H1       ACE   0  15.632 -22.427  -6.823
    2    H2   ACE   0           H2       ACE   0  14.366 -21.221  -7.052
    3    H3   ACE   0           H3       ACE   0  13.972 -22.791  -6.351
    4    H    SER   1           H        SER   1  15.203 -23.314  -4.286
    5    HA   SER   1           HA       SER   1  14.605 -21.527  -2.270
    6    HB2  SER   1           HB2      SER   1  15.063 -23.612  -1.418
    7    HB3  SER   1           HB3      SER   1  16.431 -23.867  -2.497
    8    HG   SER   1           HG       SER   1  16.946 -23.455  -0.230
    9    H    ASP   2           H        ASP   2  17.876 -22.178  -3.486
   10    HA   ASP   2           HA       ASP   2  19.128 -20.022  -2.191
   11    HB2  ASP   2           HB2      ASP   2  20.316 -20.690  -4.773
   12    HB3  ASP   2           HB3      ASP   2  20.988 -20.847  -3.150
   13    H    ALA   3           H        ALA   3  17.536 -20.257  -5.335
   14    HA   ALA   3           HA       ALA   3  18.352 -17.862  -6.490
   15    HB1  ALA   3           HB1      ALA   3  15.870 -19.524  -6.715
   16    HB2  ALA   3           HB2      ALA   3  17.110 -19.196  -7.924
   17    HB3  ALA   3           HB3      ALA   3  15.933 -17.951  -7.508
   18    H    ALA   4           H        ALA   4  16.176 -18.413  -3.840
   19    HA   ALA   4           HA       ALA   4  14.550 -16.209  -3.802
   20    HB1  ALA   4           HB1      ALA   4  14.462 -17.902  -2.056
   21    HB2  ALA   4           HB2      ALA   4  14.688 -16.315  -1.321
   22    HB3  ALA   4           HB3      ALA   4  16.054 -17.420  -1.470
   23    H    VAL   5           H        VAL   5  17.978 -16.279  -3.604
   24    HA   VAL   5           HA       VAL   5  18.641 -14.005  -2.200
   25    HB   VAL   5           HB       VAL   5  20.315 -15.520  -3.166
   26   HG11  VAL   5          HG11      VAL   5  19.516 -14.260  -5.807
   27   HG12  VAL   5          HG12      VAL   5  19.144 -15.914  -5.318
   28   HG13  VAL   5          HG13      VAL   5  20.820 -15.423  -5.567
   29   HG21  VAL   5          HG21      VAL   5  21.089 -13.073  -4.587
   30   HG22  VAL   5          HG22      VAL   5  21.838 -13.839  -3.186
   31   HG23  VAL   5          HG23      VAL   5  20.464 -12.756  -2.969
   32    H    ASP   6           H        ASP   6  17.368 -14.304  -5.481
   33    HA   ASP   6           HA       ASP   6  17.705 -11.644  -6.311
   34    HB2  ASP   6           HB2      ASP   6  15.602 -12.127  -7.703
   35    HB3  ASP   6           HB3      ASP   6  16.984 -13.191  -7.961
   36    H    THR   7           H        THR   7  15.225 -13.230  -4.386
   37    HA   THR   7           HA       THR   7  13.467 -11.028  -4.120
   38    HB   THR   7           HB       THR   7  13.980 -13.250  -2.122
   39    HG1  THR   7           HG1      THR   7  13.047 -13.346  -4.590
   40   HG21  THR   7          HG21      THR   7  11.607 -11.426  -2.592
   41   HG22  THR   7          HG22      THR   7  12.699 -11.374  -1.208
   42   HG23  THR   7          HG23      THR   7  11.646 -12.768  -1.447
   43    H    SER   8           H        SER   8  16.372 -12.071  -2.428
   44    HA   SER   8           HA       SER   8  16.339 -10.444  -0.189
   45    HB2  SER   8           HB2      SER   8  18.107 -12.169  -0.977
   46    HB3  SER   8           HB3      SER   8  18.850 -10.802  -1.806
   47    HG   SER   8           HG       SER   8  19.740 -10.688   0.150
   48    H    SER   9           H        SER   9  17.156  -9.602  -3.517
   49    HA   SER   9           HA       SER   9  18.301  -7.108  -3.182
   50    HB2  SER   9           HB2      SER   9  17.209  -8.571  -5.328
   51    HB3  SER   9           HB3      SER   9  16.405  -7.005  -5.353
   52    HG   SER   9           HG       SER   9  19.207  -7.300  -5.046
   53    H    GLU  10           H        GLU  10  15.070  -8.101  -2.512
   54    HA   GLU  10           HA       GLU  10  13.795  -5.559  -2.690
   55    HB2  GLU  10           HB2      GLU  10  12.524  -7.665  -2.692
   56    HB3  GLU  10           HB3      GLU  10  13.051  -7.985  -1.039
   57    HG2  GLU  10           HG2      GLU  10  11.863  -6.084  -0.197
   58    HG3  GLU  10           HG3      GLU  10  11.563  -5.470  -1.821
   59    H    ILE  11           H        ILE  11  15.489  -7.280  -0.129
   60    HA   ILE  11           HA       ILE  11  14.863  -5.253   1.854
   61    HB   ILE  11           HB       ILE  11  15.225  -7.786   2.270
   62   HG12  ILE  11          HG12      ILE  11  16.565  -5.625   3.923
   63   HG13  ILE  11          HG13      ILE  11  14.909  -6.211   4.088
   64   HG21  ILE  11          HG21      ILE  11  17.669  -7.276   1.113
   65   HG22  ILE  11          HG22      ILE  11  17.325  -8.650   2.159
   66   HG23  ILE  11          HG23      ILE  11  18.059  -7.195   2.830
   67   HD11  ILE  11          HD11      ILE  11  16.127  -7.329   5.798
   68   HD12  ILE  11          HD12      ILE  11  17.475  -7.679   4.715
   69   HD13  ILE  11          HD13      ILE  11  15.940  -8.523   4.514
   70    H    THR  12           H        THR  12  16.430  -4.672  -0.669
   71    HA   THR  12           HA       THR  12  19.023  -3.870   0.435
   72    HB   THR  12           HB       THR  12  17.954  -3.616  -2.385
   73    HG1  THR  12           HG1      THR  12  18.173  -5.746  -1.978
   74   HG21  THR  12          HG21      THR  12  20.745  -3.737  -2.371
   75   HG22  THR  12          HG22      THR  12  20.345  -2.662  -1.032
   76   HG23  THR  12          HG23      THR  12  19.763  -2.299  -2.656
   77    H    THR  13           H        THR  13  15.922  -2.586  -0.015
   78    HA   THR  13           HA       THR  13  16.389   0.053  -0.774
   79    HB   THR  13           HB       THR  13  14.331  -1.003   1.178
   80    HG1  THR  13           HG1      THR  13  13.366  -1.662  -0.552
   81   HG21  THR  13          HG21      THR  13  14.594   1.625  -0.300
   82   HG22  THR  13          HG22      THR  13  14.484   1.381   1.443
   83   HG23  THR  13          HG23      THR  13  13.083   1.069   0.420
   84    H    LYS  14           H        LYS  14  16.363  -1.328   2.520
   85    HA   LYS  14           HA       LYS  14  17.128   1.157   3.743
   86    HB2  LYS  14           HB2      LYS  14  17.192  -1.680   4.805
   87    HB3  LYS  14           HB3      LYS  14  17.458  -0.232   5.774
   88    HG2  LYS  14           HG2      LYS  14  15.105   0.379   4.495
   89    HG3  LYS  14           HG3      LYS  14  14.942  -1.360   4.744
   90    HD2  LYS  14           HD2      LYS  14  15.837  -0.753   7.171
   91    HD3  LYS  14           HD3      LYS  14  15.173   0.832   6.770
   92    HE2  LYS  14           HE2      LYS  14  13.200  -0.016   7.489
   93    HE3  LYS  14           HE3      LYS  14  13.165  -0.866   5.946
   94    HZ1  LYS  14           HZ1      LYS  14  12.896  -2.542   7.503
   95    HZ2  LYS  14           HZ2      LYS  14  14.016  -1.868   8.588
   96    HZ3  LYS  14           HZ3      LYS  14  14.555  -2.616   7.161
   97    H    ASP  15           H        ASP  15  18.810  -1.653   2.503
   98    HA   ASP  15           HA       ASP  15  21.343  -1.104   3.671
   99    HB2  ASP  15           HB2      ASP  15  20.617  -2.558   1.132
  100    HB3  ASP  15           HB3      ASP  15  22.222  -2.545   1.854
  101    H    LEU  16           H        LEU  16  19.609   0.140   0.927
  102    HA   LEU  16           HA       LEU  16  21.660   1.207  -0.622
  103    HB2  LEU  16           HB2      LEU  16  18.835   1.499  -0.430
  104    HB3  LEU  16           HB3      LEU  16  19.524   3.121  -0.423
  105    HG   LEU  16           HG       LEU  16  20.255   0.982  -2.441
  106   HD11  LEU  16          HD11      LEU  16  17.960   2.780  -2.267
  107   HD12  LEU  16          HD12      LEU  16  18.253   1.449  -3.385
  108   HD13  LEU  16          HD13      LEU  16  18.902   3.051  -3.733
  109   HD21  LEU  16          HD21      LEU  16  20.947   3.247  -3.623
  110   HD22  LEU  16          HD22      LEU  16  22.026   2.500  -2.444
  111   HD23  LEU  16          HD23      LEU  16  21.000   3.852  -1.967
  112    H    LYS  17           H        LYS  17  20.323   2.149   2.444
  113    HA   LYS  17           HA       LYS  17  21.550   4.740   2.564
  114    HB2  LYS  17           HB2      LYS  17  19.705   4.428   4.021
  115    HB3  LYS  17           HB3      LYS  17  20.355   2.911   4.643
  116    HG2  LYS  17           HG2      LYS  17  22.039   3.997   5.888
  117    HG3  LYS  17           HG3      LYS  17  21.866   5.497   4.974
  118    HD2  LYS  17           HD2      LYS  17  19.341   4.785   6.188
  119    HD3  LYS  17           HD3      LYS  17  20.608   4.833   7.415
  120    HE2  LYS  17           HE2      LYS  17  20.347   7.043   5.382
  121    HE3  LYS  17           HE3      LYS  17  19.376   7.049   6.856
  122    HZ1  LYS  17           HZ1      LYS  17  22.337   7.009   6.662
  123    HZ2  LYS  17           HZ2      LYS  17  21.481   6.795   8.114
  124    HZ3  LYS  17           HZ3      LYS  17  21.367   8.264   7.265
  125    H    GLU  18           H        GLU  18  22.418   1.504   3.637
  126    HA   GLU  18           HA       GLU  18  24.792   2.255   5.017
  127    HB2  GLU  18           HB2      GLU  18  23.569  -0.288   4.064
  128    HB3  GLU  18           HB3      GLU  18  25.296  -0.299   4.423
  129    HG2  GLU  18           HG2      GLU  18  23.141   0.683   6.315
  130    HG3  GLU  18           HG3      GLU  18  23.919  -0.896   6.407
  131    H    LYS  19           H        LYS  19  24.129   1.105   1.731
  132    HA   LYS  19           HA       LYS  19  26.802   0.925   0.862
  133    HB2  LYS  19           HB2      LYS  19  24.888  -0.016  -0.397
  134    HB3  LYS  19           HB3      LYS  19  24.345   1.621  -0.770
  135    HG2  LYS  19           HG2      LYS  19  25.612   1.342  -2.647
  136    HG3  LYS  19           HG3      LYS  19  26.946   1.763  -1.573
  137    HD2  LYS  19           HD2      LYS  19  27.300  -0.641  -1.084
  138    HD3  LYS  19           HD3      LYS  19  25.994  -1.048  -2.198
  139    HE2  LYS  19           HE2      LYS  19  27.731  -1.223  -3.685
  140    HE3  LYS  19           HE3      LYS  19  27.474   0.516  -3.821
  141    HZ1  LYS  19           HZ1      LYS  19  29.807  -0.651  -3.146
  142    HZ2  LYS  19           HZ2      LYS  19  29.168  -0.258  -1.622
  143    HZ3  LYS  19           HZ3      LYS  19  29.391   0.954  -2.790
  144    H    LYS  20           H        LYS  20  24.528   3.627   0.979
  145    HA   LYS  20           HA       LYS  20  26.297   5.452  -0.373
  146    HB2  LYS  20           HB2      LYS  20  23.654   5.529   0.103
  147    HB3  LYS  20           HB3      LYS  20  24.209   6.472   1.486
  148    HG2  LYS  20           HG2      LYS  20  25.702   7.665  -0.363
  149    HG3  LYS  20           HG3      LYS  20  24.426   7.086  -1.434
  150    HD2  LYS  20           HD2      LYS  20  23.545   9.138  -0.794
  151    HD3  LYS  20           HD3      LYS  20  22.843   8.086   0.435
  152    HE2  LYS  20           HE2      LYS  20  24.596   8.674   2.013
  153    HE3  LYS  20           HE3      LYS  20  25.436   9.615   0.782
  154    HZ1  LYS  20           HZ1      LYS  20  23.793  10.726   2.490
  155    HZ2  LYS  20           HZ2      LYS  20  22.643  10.276   1.324
  156    HZ3  LYS  20           HZ3      LYS  20  23.936  11.292   0.897
  157    H    GLU  21           H        GLU  21  25.727   4.395   2.896
  158    HA   GLU  21           HA       GLU  21  26.985   6.467   4.310
  159    HB2  GLU  21           HB2      GLU  21  25.670   4.616   5.356
  160    HB3  GLU  21           HB3      GLU  21  27.009   3.520   5.010
  161    HG2  GLU  21           HG2      GLU  21  28.467   4.640   6.489
  162    HG3  GLU  21           HG3      GLU  21  27.461   6.086   6.524
  163    H    VAL  22           H        VAL  22  28.267   3.757   2.479
  164    HA   VAL  22           HA       VAL  22  30.870   3.640   3.446
  165    HB   VAL  22           HB       VAL  22  31.485   2.637   1.383
  166   HG11  VAL  22          HG11      VAL  22  28.511   2.197   1.792
  167   HG12  VAL  22          HG12      VAL  22  29.798   1.381   2.677
  168   HG13  VAL  22          HG13      VAL  22  29.605   1.103   0.946
  169   HG21  VAL  22          HG21      VAL  22  29.349   4.432   0.298
  170   HG22  VAL  22          HG22      VAL  22  29.658   2.913  -0.541
  171   HG23  VAL  22          HG23      VAL  22  30.956   4.091  -0.343
  172    H    VAL  23           H        VAL  23  29.343   6.033   1.376
  173    HA   VAL  23           HA       VAL  23  31.654   7.310   0.406
  174    HB   VAL  23           HB       VAL  23  30.252   9.172  -0.103
  175   HG11  VAL  23          HG11      VAL  23  28.084   7.951  -0.847
  176   HG12  VAL  23          HG12      VAL  23  28.843   6.506  -0.181
  177   HG13  VAL  23          HG13      VAL  23  29.619   7.378  -1.502
  178   HG21  VAL  23          HG21      VAL  23  29.106   9.869   1.763
  179   HG22  VAL  23          HG22      VAL  23  28.782   8.224   2.308
  180   HG23  VAL  23          HG23      VAL  23  27.808   8.935   1.021
  181    H    GLU  24           H        GLU  24  29.915   7.603   3.455
  182    HA   GLU  24           HA       GLU  24  31.240   9.868   4.472
  183    HB2  GLU  24           HB2      GLU  24  30.005   7.478   5.842
  184    HB3  GLU  24           HB3      GLU  24  30.666   8.853   6.724
  185    HG2  GLU  24           HG2      GLU  24  28.819   9.532   4.509
  186    HG3  GLU  24           HG3      GLU  24  28.082   8.715   5.886
  187    H    GLU  25           H        GLU  25  32.080   6.453   4.406
  188    HA   GLU  25           HA       GLU  25  34.264   6.451   6.148
  189    HB2  GLU  25           HB2      GLU  25  33.113   4.503   4.814
  190    HB3  GLU  25           HB3      GLU  25  34.331   4.873   3.594
  191    HG2  GLU  25           HG2      GLU  25  35.749   3.576   4.774
  192    HG3  GLU  25           HG3      GLU  25  35.760   4.851   5.992
  193    H    ALA  26           H        ALA  26  33.815   8.000   3.151
  194    HA   ALA  26           HA       ALA  26  36.328   8.058   1.989
  195    HB1  ALA  26           HB1      ALA  26  34.326   9.100   0.993
  196    HB2  ALA  26           HB2      ALA  26  35.685  10.224   1.038
  197    HB3  ALA  26           HB3      ALA  26  34.384  10.364   2.221
  198    H    GLU  27           H        GLU  27  35.114   9.910   4.727
  199    HA   GLU  27           HA       GLU  27  37.284  11.688   5.006
  200    HB2  GLU  27           HB2      GLU  27  35.018  11.783   6.176
  201    HB3  GLU  27           HB3      GLU  27  35.658  10.578   7.294
  202    HG2  GLU  27           HG2      GLU  27  37.674  12.226   7.522
  203    HG3  GLU  27           HG3      GLU  27  36.551  13.417   6.868
  204    H    ASN  28           H        ASN  28  36.805   8.369   6.027
  205    HA   ASN  28           HA       ASN  28  39.191   8.329   7.676
  206    HB2  ASN  28           HB2      ASN  28  36.993   6.459   7.016
  207    HB3  ASN  28           HB3      ASN  28  38.553   5.717   7.364
  208   HD21  ASN  28          HD21      ASN  28  36.664   5.151   9.233
  209   HD22  ASN  28          HD22      ASN  28  36.877   6.079  10.639
  Start of MODEL   10
    1    H1   ACE   0           H1       ACE   0  27.312  -3.117 -14.607
    2    H2   ACE   0           H2       ACE   0  26.669  -4.634 -13.981
    3    H3   ACE   0           H3       ACE   0  28.362  -4.219 -13.715
    4    H    SER   1           H        SER   1  27.450  -1.345 -13.267
    5    HA   SER   1           HA       SER   1  26.625  -1.709 -10.455
    6    HB2  SER   1           HB2      SER   1  28.748  -0.667 -10.475
    7    HB3  SER   1           HB3      SER   1  28.309   0.384 -11.817
    8    HG   SER   1           HG       SER   1  28.213   1.492  -9.831
    9    H    ASP   2           H        ASP   2  26.566   1.148 -12.530
   10    HA   ASP   2           HA       ASP   2  24.235   2.259 -11.576
   11    HB2  ASP   2           HB2      ASP   2  25.747   3.426 -13.120
   12    HB3  ASP   2           HB3      ASP   2  25.257   2.348 -14.426
   13    H    ALA   3           H        ALA   3  24.639  -0.231 -14.037
   14    HA   ALA   3           HA       ALA   3  21.998  -0.333 -14.989
   15    HB1  ALA   3           HB1      ALA   3  22.957  -1.877 -16.296
   16    HB2  ALA   3           HB2      ALA   3  23.058  -2.975 -14.920
   17    HB3  ALA   3           HB3      ALA   3  24.389  -1.872 -15.268
   18    H    ALA   4           H        ALA   4  23.409  -1.386 -12.010
   19    HA   ALA   4           HA       ALA   4  21.689  -3.400 -11.179
   20    HB1  ALA   4           HB1      ALA   4  23.751  -2.398  -9.991
   21    HB2  ALA   4           HB2      ALA   4  22.411  -2.949  -8.986
   22    HB3  ALA   4           HB3      ALA   4  22.618  -1.229  -9.311
   23    H    VAL   5           H        VAL   5  21.043  -0.061 -11.696
   24    HA   VAL   5           HA       VAL   5  19.015   0.610 -10.007
   25    HB   VAL   5           HB       VAL   5  19.870   2.047 -11.852
   26   HG11  VAL   5          HG11      VAL   5  19.835   0.304 -13.615
   27   HG12  VAL   5          HG12      VAL   5  18.935   1.739 -14.108
   28   HG13  VAL   5          HG13      VAL   5  18.072   0.300 -13.564
   29   HG21  VAL   5          HG21      VAL   5  16.950   1.940 -12.377
   30   HG22  VAL   5          HG22      VAL   5  17.947   3.288 -11.832
   31   HG23  VAL   5          HG23      VAL   5  17.418   2.063 -10.680
   32    H    ASP   6           H        ASP   6  18.893  -1.567 -12.777
   33    HA   ASP   6           HA       ASP   6  16.104  -2.010 -12.800
   34    HB2  ASP   6           HB2      ASP   6  18.451  -3.719 -13.635
   35    HB3  ASP   6           HB3      ASP   6  16.788  -4.278 -13.793
   36    H    THR   7           H        THR   7  18.771  -3.390 -10.985
   37    HA   THR   7           HA       THR   7  17.384  -5.457  -9.660
   38    HB   THR   7           HB       THR   7  19.489  -4.003  -8.157
   39    HG1  THR   7           HG1      THR   7  20.087  -3.780 -10.380
   40   HG21  THR   7          HG21      THR   7  19.311  -6.885  -9.058
   41   HG22  THR   7          HG22      THR   7  18.510  -6.280  -7.609
   42   HG23  THR   7          HG23      THR   7  20.267  -6.229  -7.729
   43    H    SER   8           H        SER   8  17.804  -2.022  -9.025
   44    HA   SER   8           HA       SER   8  16.891  -1.723  -6.463
   45    HB2  SER   8           HB2      SER   8  17.528   0.059  -8.252
   46    HB3  SER   8           HB3      SER   8  15.808   0.056  -8.633
   47    HG   SER   8           HG       SER   8  16.717   1.536  -6.901
   48    H    SER   9           H        SER   9  15.179  -3.032  -9.112
   49    HA   SER   9           HA       SER   9  12.523  -2.431  -8.600
   50    HB2  SER   9           HB2      SER   9  13.700  -5.081  -9.469
   51    HB3  SER   9           HB3      SER   9  12.001  -4.638  -9.598
   52    HG   SER   9           HG       SER   9  13.901  -4.150 -11.323
   53    H    GLU  10           H        GLU  10  14.608  -4.836  -7.046
   54    HA   GLU  10           HA       GLU  10  12.589  -5.983  -5.400
   55    HB2  GLU  10           HB2      GLU  10  15.098  -6.715  -5.990
   56    HB3  GLU  10           HB3      GLU  10  15.411  -5.908  -4.454
   57    HG2  GLU  10           HG2      GLU  10  14.856  -7.928  -3.558
   58    HG3  GLU  10           HG3      GLU  10  13.203  -7.372  -3.812
   59    H    ILE  11           H        ILE  11  13.779  -2.925  -5.465
   60    HA   ILE  11           HA       ILE  11  13.663  -1.134  -4.044
   61    HB   ILE  11           HB       ILE  11  11.980  -3.012  -2.369
   62   HG12  ILE  11          HG12      ILE  11  10.364  -1.110  -3.607
   63   HG13  ILE  11          HG13      ILE  11  11.519  -1.550  -4.865
   64   HG21  ILE  11          HG21      ILE  11  11.816  -1.325  -0.886
   65   HG22  ILE  11          HG22      ILE  11  11.326  -0.213  -2.163
   66   HG23  ILE  11          HG23      ILE  11  13.037  -0.439  -1.799
   67   HD11  ILE  11          HD11      ILE  11  11.003  -3.931  -4.524
   68   HD12  ILE  11          HD12      ILE  11   9.535  -3.030  -4.906
   69   HD13  ILE  11          HD13      ILE  11   9.868  -3.510  -3.242
   70    H    THR  12           H        THR  12  16.022  -1.874  -3.845
   71    HA   THR  12           HA       THR  12  16.613  -2.440  -0.999
   72    HB   THR  12           HB       THR  12  17.431  -4.288  -2.277
   73    HG1  THR  12           HG1      THR  12  19.283  -4.147  -1.333
   74   HG21  THR  12          HG21      THR  12  18.437  -2.147  -4.153
   75   HG22  THR  12          HG22      THR  12  17.343  -3.482  -4.511
   76   HG23  THR  12          HG23      THR  12  19.049  -3.799  -4.205
   77    H    THR  13           H        THR  13  16.190   0.092  -2.682
   78    HA   THR  13           HA       THR  13  18.723   1.414  -2.782
   79    HB   THR  13           HB       THR  13  16.235   3.013  -2.521
   80    HG1  THR  13           HG1      THR  13  16.133   0.840  -3.874
   81   HG21  THR  13          HG21      THR  13  17.343   4.434  -3.941
   82   HG22  THR  13          HG22      THR  13  18.074   3.115  -4.857
   83   HG23  THR  13          HG23      THR  13  18.747   3.583  -3.296
   84    H    LYS  14           H        LYS  14  15.975   1.518  -0.522
   85    HA   LYS  14           HA       LYS  14  17.153   3.396   1.248
   86    HB2  LYS  14           HB2      LYS  14  14.727   2.902   1.221
   87    HB3  LYS  14           HB3      LYS  14  15.061   1.281   1.830
   88    HG2  LYS  14           HG2      LYS  14  14.737   2.270   3.865
   89    HG3  LYS  14           HG3      LYS  14  16.416   2.767   3.657
   90    HD2  LYS  14           HD2      LYS  14  15.276   4.773   2.321
   91    HD3  LYS  14           HD3      LYS  14  13.913   4.374   3.368
   92    HE2  LYS  14           HE2      LYS  14  16.611   5.441   4.087
   93    HE3  LYS  14           HE3      LYS  14  15.030   5.853   4.750
   94    HZ1  LYS  14           HZ1      LYS  14  16.277   4.602   6.355
   95    HZ2  LYS  14           HZ2      LYS  14  16.555   3.352   5.240
   96    HZ3  LYS  14           HZ3      LYS  14  14.982   3.653   5.810
   97    H    ASP  15           H        ASP  15  17.173  -0.123   1.074
   98    HA   ASP  15           HA       ASP  15  18.439  -0.641   3.547
   99    HB2  ASP  15           HB2      ASP  15  18.373  -2.108   0.915
  100    HB3  ASP  15           HB3      ASP  15  19.250  -2.729   2.312
  101    H    LEU  16           H        LEU  16  19.594   0.247   0.382
  102    HA   LEU  16           HA       LEU  16  22.323  -0.228   0.606
  103    HB2  LEU  16           HB2      LEU  16  20.790   0.746  -1.334
  104    HB3  LEU  16           HB3      LEU  16  21.371   2.284  -0.703
  105    HG   LEU  16           HG       LEU  16  23.326   0.060  -1.276
  106   HD11  LEU  16          HD11      LEU  16  22.356   0.127  -3.388
  107   HD12  LEU  16          HD12      LEU  16  23.577   1.392  -3.531
  108   HD13  LEU  16          HD13      LEU  16  21.891   1.820  -3.234
  109   HD21  LEU  16          HD21      LEU  16  24.431   1.828  -0.225
  110   HD22  LEU  16          HD22      LEU  16  23.379   3.049  -0.939
  111   HD23  LEU  16          HD23      LEU  16  24.621   2.274  -1.919
  112    H    LYS  17           H        LYS  17  20.350   2.218   2.067
  113    HA   LYS  17           HA       LYS  17  22.101   4.268   2.586
  114    HB2  LYS  17           HB2      LYS  17  19.591   3.886   3.294
  115    HB3  LYS  17           HB3      LYS  17  20.329   3.391   4.819
  116    HG2  LYS  17           HG2      LYS  17  20.028   5.712   5.096
  117    HG3  LYS  17           HG3      LYS  17  21.716   5.579   4.600
  118    HD2  LYS  17           HD2      LYS  17  20.467   5.721   2.172
  119    HD3  LYS  17           HD3      LYS  17  19.419   6.743   3.156
  120    HE2  LYS  17           HE2      LYS  17  22.430   7.039   3.125
  121    HE3  LYS  17           HE3      LYS  17  21.369   7.939   2.041
  122    HZ1  LYS  17           HZ1      LYS  17  21.878   8.330   4.836
  123    HZ2  LYS  17           HZ2      LYS  17  20.218   8.268   4.476
  124    HZ3  LYS  17           HZ3      LYS  17  21.218   9.399   3.696
  125    H    GLU  18           H        GLU  18  21.948   1.146   4.202
  126    HA   GLU  18           HA       GLU  18  23.741   1.905   6.313
  127    HB2  GLU  18           HB2      GLU  18  24.019  -0.636   6.558
  128    HB3  GLU  18           HB3      GLU  18  22.408   0.028   6.819
  129    HG2  GLU  18           HG2      GLU  18  21.553  -1.076   5.052
  130    HG3  GLU  18           HG3      GLU  18  22.919  -0.651   4.017
  131    H    LYS  19           H        LYS  19  24.118   0.458   3.138
  132    HA   LYS  19           HA       LYS  19  26.927  -0.074   3.433
  133    HB2  LYS  19           HB2      LYS  19  24.934  -0.167   1.214
  134    HB3  LYS  19           HB3      LYS  19  26.641  -0.065   0.780
  135    HG2  LYS  19           HG2      LYS  19  27.063  -2.014   2.332
  136    HG3  LYS  19           HG3      LYS  19  25.314  -2.176   2.503
  137    HD2  LYS  19           HD2      LYS  19  25.769  -1.982  -0.266
  138    HD3  LYS  19           HD3      LYS  19  27.023  -3.066   0.336
  139    HE2  LYS  19           HE2      LYS  19  24.876  -4.228  -0.300
  140    HE3  LYS  19           HE3      LYS  19  25.382  -4.507   1.366
  141    HZ1  LYS  19           HZ1      LYS  19  23.849  -2.205   1.387
  142    HZ2  LYS  19           HZ2      LYS  19  23.423  -3.730   2.000
  143    HZ3  LYS  19           HZ3      LYS  19  23.007  -3.305   0.409
  144    H    LYS  20           H        LYS  20  24.968   2.563   2.157
  145    HA   LYS  20           HA       LYS  20  27.062   4.033   0.941
  146    HB2  LYS  20           HB2      LYS  20  24.254   4.408   1.537
  147    HB3  LYS  20           HB3      LYS  20  25.159   5.877   1.894
  148    HG2  LYS  20           HG2      LYS  20  25.689   4.431  -0.686
  149    HG3  LYS  20           HG3      LYS  20  24.253   5.444  -0.544
  150    HD2  LYS  20           HD2      LYS  20  25.783   7.293   0.307
  151    HD3  LYS  20           HD3      LYS  20  27.139   6.284  -0.199
  152    HE2  LYS  20           HE2      LYS  20  26.900   7.078  -2.291
  153    HE3  LYS  20           HE3      LYS  20  25.312   6.316  -2.366
  154    HZ1  LYS  20           HZ1      LYS  20  25.072   8.633  -0.836
  155    HZ2  LYS  20           HZ2      LYS  20  24.404   8.315  -2.366
  156    HZ3  LYS  20           HZ3      LYS  20  25.930   9.050  -2.238
  157    H    GLU  21           H        GLU  21  25.933   3.735   4.230
  158    HA   GLU  21           HA       GLU  21  27.078   6.038   5.348
  159    HB2  GLU  21           HB2      GLU  21  25.489   4.360   6.438
  160    HB3  GLU  21           HB3      GLU  21  26.918   3.377   6.757
  161    HG2  GLU  21           HG2      GLU  21  27.938   5.467   7.825
  162    HG3  GLU  21           HG3      GLU  21  26.320   6.165   7.758
  163    H    VAL  22           H        VAL  22  28.464   2.770   4.918
  164    HA   VAL  22           HA       VAL  22  30.916   3.300   6.181
  165    HB   VAL  22           HB       VAL  22  31.667   1.271   5.330
  166   HG11  VAL  22          HG11      VAL  22  28.733   0.829   4.855
  167   HG12  VAL  22          HG12      VAL  22  29.305   1.270   6.464
  168   HG13  VAL  22          HG13      VAL  22  29.893  -0.203   5.692
  169   HG21  VAL  22          HG21      VAL  22  31.771   1.411   3.027
  170   HG22  VAL  22          HG22      VAL  22  30.160   2.110   2.890
  171   HG23  VAL  22          HG23      VAL  22  30.348   0.382   3.176
  172    H    VAL  23           H        VAL  23  29.827   3.963   2.899
  173    HA   VAL  23           HA       VAL  23  32.318   4.547   1.728
  174    HB   VAL  23           HB       VAL  23  29.596   5.746   1.149
  175   HG11  VAL  23          HG11      VAL  23  31.475   7.103   0.258
  176   HG12  VAL  23          HG12      VAL  23  30.568   6.322  -1.037
  177   HG13  VAL  23          HG13      VAL  23  32.124   5.665  -0.531
  178   HG21  VAL  23          HG21      VAL  23  29.932   3.211   0.979
  179   HG22  VAL  23          HG22      VAL  23  31.070   3.552  -0.324
  180   HG23  VAL  23          HG23      VAL  23  29.377   4.018  -0.487
  181    H    GLU  24           H        GLU  24  30.369   6.306   3.991
  182    HA   GLU  24           HA       GLU  24  31.174   8.926   3.592
  183    HB2  GLU  24           HB2      GLU  24  29.545   8.039   5.330
  184    HB3  GLU  24           HB3      GLU  24  30.954   7.651   6.316
  185    HG2  GLU  24           HG2      GLU  24  31.430   9.852   6.753
  186    HG3  GLU  24           HG3      GLU  24  30.852  10.398   5.180
  187    H    GLU  25           H        GLU  25  32.876   6.268   5.166
  188    HA   GLU  25           HA       GLU  25  35.013   7.664   6.290
  189    HB2  GLU  25           HB2      GLU  25  34.788   4.899   5.108
  190    HB3  GLU  25           HB3      GLU  25  36.314   5.495   5.764
  191    HG2  GLU  25           HG2      GLU  25  35.607   5.244   7.892
  192    HG3  GLU  25           HG3      GLU  25  34.068   6.032   7.549
  193    H    ALA  26           H        ALA  26  34.067   7.328   3.067
  194    HA   ALA  26           HA       ALA  26  36.592   7.453   1.756
  195    HB1  ALA  26           HB1      ALA  26  33.881   8.416   0.811
  196    HB2  ALA  26           HB2      ALA  26  34.527   6.791   0.588
  197    HB3  ALA  26           HB3      ALA  26  35.296   8.162  -0.210
  198    H    GLU  27           H        GLU  27  34.433   9.860   3.113
  199    HA   GLU  27           HA       GLU  27  35.597  12.162   1.947
  200    HB2  GLU  27           HB2      GLU  27  33.411  11.756   3.463
  201    HB3  GLU  27           HB3      GLU  27  34.512  12.354   4.705
  202    HG2  GLU  27           HG2      GLU  27  35.073  14.221   2.973
  203    HG3  GLU  27           HG3      GLU  27  33.557  13.740   2.209
  204    H    ASN  28           H        ASN  28  36.760   9.967   4.257
  205    HA   ASN  28           HA       ASN  28  38.378  11.727   5.821
  206    HB2  ASN  28           HB2      ASN  28  37.643   9.355   6.413
  207    HB3  ASN  28           HB3      ASN  28  38.913   8.802   5.323
  208   HD21  ASN  28          HD21      ASN  28  38.717  11.398   7.834
  209   HD22  ASN  28          HD22      ASN  28  40.149  10.935   8.619
  Start of MODEL   11
    1    H1   ACE   0           H1       ACE   0  14.862  -8.593  17.823
    2    H2   ACE   0           H2       ACE   0  16.123  -9.452  16.939
    3    H3   ACE   0           H3       ACE   0  14.686  -8.880  16.092
    4    H    SER   1           H        SER   1  17.857  -8.265  16.457
    5    HA   SER   1           HA       SER   1  17.508  -5.354  16.047
    6    HB2  SER   1           HB2      SER   1  19.654  -6.862  17.529
    7    HB3  SER   1           HB3      SER   1  19.922  -5.232  16.916
    8    HG   SER   1           HG       SER   1  18.957  -5.680  19.167
    9    H    ASP   2           H        ASP   2  20.475  -7.203  15.737
   10    HA   ASP   2           HA       ASP   2  21.313  -6.141  13.341
   11    HB2  ASP   2           HB2      ASP   2  21.997  -8.964  13.519
   12    HB3  ASP   2           HB3      ASP   2  23.043  -7.549  13.626
   13    H    ALA   3           H        ALA   3  19.142  -8.859  13.896
   14    HA   ALA   3           HA       ALA   3  18.977  -9.840  11.270
   15    HB1  ALA   3           HB1      ALA   3  17.250  -9.963  13.694
   16    HB2  ALA   3           HB2      ALA   3  17.942 -11.271  12.734
   17    HB3  ALA   3           HB3      ALA   3  16.522 -10.405  12.149
   18    H    ALA   4           H        ALA   4  17.939  -6.864  12.555
   19    HA   ALA   4           HA       ALA   4  15.611  -6.222  11.253
   20    HB1  ALA   4           HB1      ALA   4  16.529  -4.566  12.665
   21    HB2  ALA   4           HB2      ALA   4  16.631  -3.874  11.046
   22    HB3  ALA   4           HB3      ALA   4  18.067  -4.563  11.802
   23    H    VAL   5           H        VAL   5  18.640  -6.998   9.836
   24    HA   VAL   5           HA       VAL   5  18.488  -5.596   7.410
   25    HB   VAL   5           HB       VAL   5  20.061  -7.192   6.551
   26   HG11  VAL   5          HG11      VAL   5  20.330  -5.993   9.129
   27   HG12  VAL   5          HG12      VAL   5  21.603  -6.385   7.973
   28   HG13  VAL   5          HG13      VAL   5  21.117  -7.570   9.185
   29   HG21  VAL   5          HG21      VAL   5  18.775  -8.969   8.594
   30   HG22  VAL   5          HG22      VAL   5  20.459  -9.265   8.163
   31   HG23  VAL   5          HG23      VAL   5  19.207  -9.320   6.922
   32    H    ASP   6           H        ASP   6  17.077  -8.670   8.448
   33    HA   ASP   6           HA       ASP   6  16.003  -9.438   5.947
   34    HB2  ASP   6           HB2      ASP   6  16.162 -10.810   8.133
   35    HB3  ASP   6           HB3      ASP   6  14.664 -10.000   8.591
   36    H    THR   7           H        THR   7  14.848  -7.408   8.571
   37    HA   THR   7           HA       THR   7  12.248  -6.895   7.588
   38    HB   THR   7           HB       THR   7  14.003  -5.086   9.266
   39    HG1  THR   7           HG1      THR   7  13.425  -7.413   9.887
   40   HG21  THR   7          HG21      THR   7  12.014  -3.989   9.908
   41   HG22  THR   7          HG22      THR   7  10.996  -5.287   9.286
   42   HG23  THR   7          HG23      THR   7  11.831  -4.209   8.168
   43    H    SER   8           H        SER   8  15.392  -5.407   7.016
   44    HA   SER   8           HA       SER   8  14.579  -3.111   5.634
   45    HB2  SER   8           HB2      SER   8  16.793  -2.849   5.096
   46    HB3  SER   8           HB3      SER   8  16.966  -4.042   6.379
   47    HG   SER   8           HG       SER   8  17.141  -4.334   3.593
   48    H    SER   9           H        SER   9  14.385  -6.413   4.721
   49    HA   SER   9           HA       SER   9  14.611  -6.262   1.935
   50    HB2  SER   9           HB2      SER   9  13.702  -8.386   1.889
   51    HB3  SER   9           HB3      SER   9  14.226  -8.303   3.568
   52    HG   SER   9           HG       SER   9  12.173  -7.955   4.201
   53    H    GLU  10           H        GLU  10  11.914  -5.497   4.078
   54    HA   GLU  10           HA       GLU  10   9.898  -5.227   2.130
   55    HB2  GLU  10           HB2      GLU  10  10.318  -3.991   4.846
   56    HB3  GLU  10           HB3      GLU  10   8.917  -3.580   3.855
   57    HG2  GLU  10           HG2      GLU  10   9.445  -6.470   4.034
   58    HG3  GLU  10           HG3      GLU  10   9.042  -5.720   5.579
   59    H    ILE  11           H        ILE  11  12.557  -3.185   3.035
   60    HA   ILE  11           HA       ILE  11  11.873  -1.354   0.851
   61    HB   ILE  11           HB       ILE  11  10.939  -0.334   2.899
   62   HG12  ILE  11          HG12      ILE  11  13.326   1.355   2.440
   63   HG13  ILE  11          HG13      ILE  11  12.470   0.855   0.981
   64   HG21  ILE  11          HG21      ILE  11  12.052  -0.347   4.860
   65   HG22  ILE  11          HG22      ILE  11  13.499   0.329   4.112
   66   HG23  ILE  11          HG23      ILE  11  13.229  -1.413   4.093
   67   HD11  ILE  11          HD11      ILE  11  10.841   1.851   3.277
   68   HD12  ILE  11          HD12      ILE  11  10.545   1.998   1.545
   69   HD13  ILE  11          HD13      ILE  11  11.738   3.035   2.325
   70    H    THR  12           H        THR  12  13.631  -2.343  -0.235
   71    HA   THR  12           HA       THR  12  16.248  -2.526   0.863
   72    HB   THR  12           HB       THR  12  16.949  -2.916  -1.483
   73    HG1  THR  12           HG1      THR  12  15.749  -2.013  -2.928
   74   HG21  THR  12          HG21      THR  12  15.692  -4.968  -1.782
   75   HG22  THR  12          HG22      THR  12  14.382  -4.358  -0.771
   76   HG23  THR  12          HG23      THR  12  15.953  -4.721  -0.056
   77    H    THR  13           H        THR  13  14.476   0.119  -0.459
   78    HA   THR  13           HA       THR  13  16.531   1.670  -1.545
   79    HB   THR  13           HB       THR  13  14.853   3.474  -0.201
   80    HG1  THR  13           HG1      THR  13  13.741   1.115  -0.163
   81   HG21  THR  13          HG21      THR  13  13.747   3.526  -2.536
   82   HG22  THR  13          HG22      THR  13  14.928   2.290  -2.972
   83   HG23  THR  13          HG23      THR  13  15.472   3.882  -2.441
   84    H    LYS  14           H        LYS  14  15.574   1.137   1.799
   85    HA   LYS  14           HA       LYS  14  17.344   3.126   2.880
   86    HB2  LYS  14           HB2      LYS  14  15.335   2.401   4.107
   87    HB3  LYS  14           HB3      LYS  14  15.988   0.768   4.217
   88    HG2  LYS  14           HG2      LYS  14  18.067   2.290   5.203
   89    HG3  LYS  14           HG3      LYS  14  16.657   3.163   5.793
   90    HD2  LYS  14           HD2      LYS  14  16.914   0.165   6.090
   91    HD3  LYS  14           HD3      LYS  14  17.564   1.279   7.291
   92    HE2  LYS  14           HE2      LYS  14  15.441   0.930   8.157
   93    HE3  LYS  14           HE3      LYS  14  15.142   2.343   7.146
   94    HZ1  LYS  14           HZ1      LYS  14  13.563   0.403   6.894
   95    HZ2  LYS  14           HZ2      LYS  14  14.837  -0.414   6.122
   96    HZ3  LYS  14           HZ3      LYS  14  14.227   1.029   5.464
   97    H    ASP  15           H        ASP  15  17.489  -0.346   2.295
   98    HA   ASP  15           HA       ASP  15  19.822  -0.987   3.688
   99    HB2  ASP  15           HB2      ASP  15  18.134  -2.279   1.912
  100    HB3  ASP  15           HB3      ASP  15  19.666  -2.232   1.049
  101    H    LEU  16           H        LEU  16  19.338   0.408   0.504
  102    HA   LEU  16           HA       LEU  16  21.944   0.405  -0.474
  103    HB2  LEU  16           HB2      LEU  16  19.574   1.359  -1.377
  104    HB3  LEU  16           HB3      LEU  16  20.363   2.869  -0.923
  105    HG   LEU  16           HG       LEU  16  22.406   2.027  -2.215
  106   HD11  LEU  16          HD11      LEU  16  22.208  -0.185  -2.739
  107   HD12  LEU  16          HD12      LEU  16  21.317   0.427  -4.132
  108   HD13  LEU  16          HD13      LEU  16  20.446  -0.140  -2.707
  109   HD21  LEU  16          HD21      LEU  16  20.388   2.245  -4.309
  110   HD22  LEU  16          HD22      LEU  16  21.666   3.377  -3.869
  111   HD23  LEU  16          HD23      LEU  16  20.120   3.422  -3.025
  112    H    LYS  17           H        LYS  17  20.419   2.376   1.954
  113    HA   LYS  17           HA       LYS  17  22.383   4.440   2.042
  114    HB2  LYS  17           HB2      LYS  17  20.970   5.362   3.530
  115    HB3  LYS  17           HB3      LYS  17  19.909   3.991   3.221
  116    HG2  LYS  17           HG2      LYS  17  21.044   2.735   5.044
  117    HG3  LYS  17           HG3      LYS  17  22.029   4.157   5.385
  118    HD2  LYS  17           HD2      LYS  17  20.136   5.437   6.059
  119    HD3  LYS  17           HD3      LYS  17  19.008   4.256   5.392
  120    HE2  LYS  17           HE2      LYS  17  20.740   4.008   7.853
  121    HE3  LYS  17           HE3      LYS  17  18.991   3.830   7.724
  122    HZ1  LYS  17           HZ1      LYS  17  19.577   1.657   7.728
  123    HZ2  LYS  17           HZ2      LYS  17  21.111   1.939   7.053
  124    HZ3  LYS  17           HZ3      LYS  17  19.730   1.936   6.063
  125    H    GLU  18           H        GLU  18  22.035   1.333   3.654
  126    HA   GLU  18           HA       GLU  18  24.080   1.679   5.578
  127    HB2  GLU  18           HB2      GLU  18  22.444  -0.111   5.790
  128    HB3  GLU  18           HB3      GLU  18  23.019  -0.847   4.293
  129    HG2  GLU  18           HG2      GLU  18  25.272  -0.424   6.013
  130    HG3  GLU  18           HG3      GLU  18  24.013  -1.244   6.935
  131    H    LYS  19           H        LYS  19  24.114   0.314   2.303
  132    HA   LYS  19           HA       LYS  19  26.891  -0.365   2.349
  133    HB2  LYS  19           HB2      LYS  19  25.041   0.125   0.000
  134    HB3  LYS  19           HB3      LYS  19  26.627  -0.642  -0.087
  135    HG2  LYS  19           HG2      LYS  19  25.883  -2.601   0.848
  136    HG3  LYS  19           HG3      LYS  19  24.712  -1.783   1.883
  137    HD2  LYS  19           HD2      LYS  19  23.281  -1.358  -0.102
  138    HD3  LYS  19           HD3      LYS  19  24.435  -2.238  -1.103
  139    HE2  LYS  19           HE2      LYS  19  23.247  -4.094  -0.607
  140    HE3  LYS  19           HE3      LYS  19  23.946  -3.982   1.007
  141    HZ1  LYS  19           HZ1      LYS  19  21.890  -3.690   1.746
  142    HZ2  LYS  19           HZ2      LYS  19  21.264  -3.539   0.174
  143    HZ3  LYS  19           HZ3      LYS  19  21.877  -2.175   0.983
  144    H    LYS  20           H        LYS  20  25.034   2.413   1.202
  145    HA   LYS  20           HA       LYS  20  27.174   3.814   0.002
  146    HB2  LYS  20           HB2      LYS  20  24.482   4.558   1.080
  147    HB3  LYS  20           HB3      LYS  20  25.623   5.839   0.680
  148    HG2  LYS  20           HG2      LYS  20  25.222   3.643  -1.313
  149    HG3  LYS  20           HG3      LYS  20  23.951   4.854  -1.152
  150    HD2  LYS  20           HD2      LYS  20  25.951   6.563  -1.313
  151    HD3  LYS  20           HD3      LYS  20  26.795   5.204  -2.055
  152    HE2  LYS  20           HE2      LYS  20  24.540   5.024  -3.455
  153    HE3  LYS  20           HE3      LYS  20  24.423   6.735  -3.041
  154    HZ1  LYS  20           HZ1      LYS  20  26.132   5.451  -4.917
  155    HZ2  LYS  20           HZ2      LYS  20  27.033   6.352  -3.792
  156    HZ3  LYS  20           HZ3      LYS  20  25.815   7.103  -4.709
  157    H    GLU  21           H        GLU  21  26.104   3.446   3.303
  158    HA   GLU  21           HA       GLU  21  27.348   5.613   4.529
  159    HB2  GLU  21           HB2      GLU  21  25.817   4.036   5.675
  160    HB3  GLU  21           HB3      GLU  21  27.079   2.804   5.629
  161    HG2  GLU  21           HG2      GLU  21  28.573   4.503   6.825
  162    HG3  GLU  21           HG3      GLU  21  27.106   5.436   7.113
  163    H    VAL  22           H        VAL  22  28.695   2.454   3.597
  164    HA   VAL  22           HA       VAL  22  31.167   2.566   4.826
  165    HB   VAL  22           HB       VAL  22  31.981   1.093   3.123
  166   HG11  VAL  22          HG11      VAL  22  30.267   0.090   4.513
  167   HG12  VAL  22          HG12      VAL  22  30.028  -0.471   2.858
  168   HG13  VAL  22          HG13      VAL  22  28.992   0.792   3.520
  169   HG21  VAL  22          HG21      VAL  22  31.620   1.919   1.020
  170   HG22  VAL  22          HG22      VAL  22  30.063   2.622   1.456
  171   HG23  VAL  22          HG23      VAL  22  30.181   0.901   1.092
  172    H    VAL  23           H        VAL  23  30.048   4.288   1.969
  173    HA   VAL  23           HA       VAL  23  32.508   5.268   1.037
  174    HB   VAL  23           HB       VAL  23  30.026   5.427   0.098
  175   HG11  VAL  23          HG11      VAL  23  29.475   7.043   2.025
  176   HG12  VAL  23          HG12      VAL  23  29.001   7.547   0.403
  177   HG13  VAL  23          HG13      VAL  23  30.445   8.228   1.151
  178   HG21  VAL  23          HG21      VAL  23  30.842   7.087  -1.500
  179   HG22  VAL  23          HG22      VAL  23  32.149   5.977  -1.094
  180   HG23  VAL  23          HG23      VAL  23  32.105   7.587  -0.375
  181    H    GLU  24           H        GLU  24  30.619   6.160   3.807
  182    HA   GLU  24           HA       GLU  24  31.358   8.781   4.268
  183    HB2  GLU  24           HB2      GLU  24  29.957   7.080   5.707
  184    HB3  GLU  24           HB3      GLU  24  31.495   6.841   6.535
  185    HG2  GLU  24           HG2      GLU  24  30.677   8.614   7.768
  186    HG3  GLU  24           HG3      GLU  24  31.512   9.504   6.496
  187    H    GLU  25           H        GLU  25  33.225   5.829   4.736
  188    HA   GLU  25           HA       GLU  25  35.405   6.770   6.156
  189    HB2  GLU  25           HB2      GLU  25  34.915   4.400   5.147
  190    HB3  GLU  25           HB3      GLU  25  35.836   5.000   3.767
  191    HG2  GLU  25           HG2      GLU  25  37.672   5.637   5.377
  192    HG3  GLU  25           HG3      GLU  25  36.773   4.799   6.640
  193    H    ALA  26           H        ALA  26  34.285   7.607   3.039
  194    HA   ALA  26           HA       ALA  26  36.745   8.538   1.915
  195    HB1  ALA  26           HB1      ALA  26  33.889   9.309   1.276
  196    HB2  ALA  26           HB2      ALA  26  34.816   8.026   0.499
  197    HB3  ALA  26           HB3      ALA  26  35.297   9.709   0.292
  198    H    GLU  27           H        GLU  27  34.226   9.996   3.881
  199    HA   GLU  27           HA       GLU  27  34.961  12.690   3.643
  200    HB2  GLU  27           HB2      GLU  27  33.063  11.263   5.068
  201    HB3  GLU  27           HB3      GLU  27  34.089  11.946   6.330
  202    HG2  GLU  27           HG2      GLU  27  32.329  13.541   5.804
  203    HG3  GLU  27           HG3      GLU  27  33.870  14.182   5.236
  204    H    ASN  28           H        ASN  28  36.391  10.068   5.433
  205    HA   ASN  28           HA       ASN  28  38.688  11.720   6.069
  206    HB2  ASN  28           HB2      ASN  28  38.570  11.013   8.516
  207    HB3  ASN  28           HB3      ASN  28  37.444  12.272   8.013
  208   HD21  ASN  28          HD21      ASN  28  37.228  10.128  10.202
  209   HD22  ASN  28          HD22      ASN  28  35.753   9.355   9.875
  Start of MODEL   12
    1    H1   ACE   0           H1       ACE   0   3.642 -22.346  -4.341
    2    H2   ACE   0           H2       ACE   0   4.723 -22.717  -2.998
    3    H3   ACE   0           H3       ACE   0   5.388 -22.360  -4.592
    4    H    SER   1           H        SER   1   6.633 -20.770  -3.202
    5    HA   SER   1           HA       SER   1   5.753 -18.150  -3.678
    6    HB2  SER   1           HB2      SER   1   4.306 -19.104  -1.617
    7    HB3  SER   1           HB3      SER   1   5.710 -18.514  -0.734
    8    HG   SER   1           HG       SER   1   4.517 -16.735  -0.914
    9    H    ASP   2           H        ASP   2   7.892 -20.436  -2.336
   10    HA   ASP   2           HA       ASP   2   9.741 -18.902  -0.939
   11    HB2  ASP   2           HB2      ASP   2  10.811 -20.958  -2.799
   12    HB3  ASP   2           HB3      ASP   2  11.121 -20.722  -1.080
   13    H    ALA   3           H        ALA   3   9.330 -19.313  -4.422
   14    HA   ALA   3           HA       ALA   3  11.698 -18.068  -5.282
   15    HB1  ALA   3           HB1      ALA   3   9.163 -18.881  -6.462
   16    HB2  ALA   3           HB2      ALA   3  10.772 -18.836  -7.182
   17    HB3  ALA   3           HB3      ALA   3   9.770 -17.385  -7.171
   18    H    ALA   4           H        ALA   4   8.816 -16.769  -3.887
   19    HA   ALA   4           HA       ALA   4   8.677 -14.198  -4.863
   20    HB1  ALA   4           HB1      ALA   4   7.807 -13.565  -2.612
   21    HB2  ALA   4           HB2      ALA   4   8.312 -15.146  -2.014
   22    HB3  ALA   4           HB3      ALA   4   7.065 -15.029  -3.256
   23    H    VAL   5           H        VAL   5  11.110 -15.586  -2.804
   24    HA   VAL   5           HA       VAL   5  12.264 -13.488  -1.513
   25    HB   VAL   5           HB       VAL   5  13.111 -15.837  -1.478
   26   HG11  VAL   5          HG11      VAL   5  14.672 -16.525  -3.265
   27   HG12  VAL   5          HG12      VAL   5  14.335 -15.028  -4.135
   28   HG13  VAL   5          HG13      VAL   5  13.060 -16.226  -3.914
   29   HG21  VAL   5          HG21      VAL   5  14.630 -13.378  -1.481
   30   HG22  VAL   5          HG22      VAL   5  15.635 -14.696  -2.083
   31   HG23  VAL   5          HG23      VAL   5  14.873 -14.822  -0.498
   32    H    ASP   6           H        ASP   6  12.441 -14.250  -4.952
   33    HA   ASP   6           HA       ASP   6  14.398 -12.351  -5.666
   34    HB2  ASP   6           HB2      ASP   6  12.486 -14.044  -7.030
   35    HB3  ASP   6           HB3      ASP   6  12.554 -12.451  -7.783
   36    H    THR   7           H        THR   7  10.905 -12.145  -5.269
   37    HA   THR   7           HA       THR   7  10.587  -9.469  -6.138
   38    HB   THR   7           HB       THR   7   8.429  -9.544  -5.049
   39    HG1  THR   7           HG1      THR   7   9.650 -10.901  -3.251
   40   HG21  THR   7          HG21      THR   7   7.664 -11.867  -5.874
   41   HG22  THR   7          HG22      THR   7   9.343 -12.102  -6.359
   42   HG23  THR   7          HG23      THR   7   8.399 -10.786  -7.058
   43    H    SER   8           H        SER   8  11.389 -10.934  -3.021
   44    HA   SER   8           HA       SER   8  11.115  -8.666  -1.390
   45    HB2  SER   8           HB2      SER   8  12.967 -11.042  -1.214
   46    HB3  SER   8           HB3      SER   8  12.912  -9.789   0.021
   47    HG   SER   8           HG       SER   8  10.966 -11.659  -0.750
   48    H    SER   9           H        SER   9  13.316  -9.246  -3.923
   49    HA   SER   9           HA       SER   9  15.599  -7.861  -3.066
   50    HB2  SER   9           HB2      SER   9  16.213  -7.732  -5.347
   51    HB3  SER   9           HB3      SER   9  15.248  -9.201  -5.230
   52    HG   SER   9           HG       SER   9  13.879  -8.320  -6.544
   53    H    GLU  10           H        GLU  10  12.468  -6.752  -3.414
   54    HA   GLU  10           HA       GLU  10  12.911  -4.116  -4.387
   55    HB2  GLU  10           HB2      GLU  10  10.662  -3.654  -3.599
   56    HB3  GLU  10           HB3      GLU  10  10.692  -5.243  -4.363
   57    HG2  GLU  10           HG2      GLU  10  11.267  -5.995  -1.853
   58    HG3  GLU  10           HG3      GLU  10  10.363  -4.527  -1.488
   59    H    ILE  11           H        ILE  11  12.745  -5.525  -1.149
   60    HA   ILE  11           HA       ILE  11  13.096  -2.994   0.181
   61    HB   ILE  11           HB       ILE  11  13.578  -4.579   2.175
   62   HG12  ILE  11          HG12      ILE  11  12.315  -6.595   0.315
   63   HG13  ILE  11          HG13      ILE  11  14.066  -6.487   0.499
   64   HG21  ILE  11          HG21      ILE  11  11.159  -5.062   2.387
   65   HG22  ILE  11          HG22      ILE  11  10.940  -4.680   0.680
   66   HG23  ILE  11          HG23      ILE  11  11.438  -3.421   1.808
   67   HD11  ILE  11          HD11      ILE  11  13.060  -8.168   2.036
   68   HD12  ILE  11          HD12      ILE  11  12.113  -6.882   2.785
   69   HD13  ILE  11          HD13      ILE  11  13.873  -6.867   2.905
   70    H    THR  12           H        THR  12  15.070  -3.068  -1.653
   71    HA   THR  12           HA       THR  12  17.504  -3.669  -0.078
   72    HB   THR  12           HB       THR  12  18.670  -3.817  -2.282
   73    HG1  THR  12           HG1      THR  12  17.053  -2.583  -3.404
   74   HG21  THR  12          HG21      THR  12  18.060  -5.894  -1.291
   75   HG22  THR  12          HG22      THR  12  17.517  -5.996  -2.966
   76   HG23  THR  12          HG23      THR  12  16.356  -5.662  -1.680
   77    H    THR  13           H        THR  13  15.717  -1.318  -1.919
   78    HA   THR  13           HA       THR  13  17.687   0.605  -2.393
   79    HB   THR  13           HB       THR  13  15.887   1.570  -3.317
   80    HG1  THR  13           HG1      THR  13  14.379   2.005  -1.107
   81   HG21  THR  13          HG21      THR  13  14.727  -0.549  -3.256
   82   HG22  THR  13          HG22      THR  13  13.579   0.707  -2.791
   83   HG23  THR  13          HG23      THR  13  14.307  -0.323  -1.558
   84    H    LYS  14           H        LYS  14  15.848  -0.135   0.523
   85    HA   LYS  14           HA       LYS  14  16.761   2.165   1.979
   86    HB2  LYS  14           HB2      LYS  14  14.675   0.646   2.412
   87    HB3  LYS  14           HB3      LYS  14  15.817  -0.363   3.299
   88    HG2  LYS  14           HG2      LYS  14  16.380   1.428   4.790
   89    HG3  LYS  14           HG3      LYS  14  15.535   2.609   3.788
   90    HD2  LYS  14           HD2      LYS  14  13.391   1.441   4.257
   91    HD3  LYS  14           HD3      LYS  14  14.253   0.326   5.317
   92    HE2  LYS  14           HE2      LYS  14  14.015   1.794   7.003
   93    HE3  LYS  14           HE3      LYS  14  15.012   2.941   6.109
   94    HZ1  LYS  14           HZ1      LYS  14  12.233   3.021   6.609
   95    HZ2  LYS  14           HZ2      LYS  14  12.506   2.988   4.934
   96    HZ3  LYS  14           HZ3      LYS  14  13.219   4.198   5.889
   97    H    ASP  15           H        ASP  15  17.781  -1.188   1.642
   98    HA   ASP  15           HA       ASP  15  19.726  -1.224   3.698
   99    HB2  ASP  15           HB2      ASP  15  19.084  -2.838   1.308
  100    HB3  ASP  15           HB3      ASP  15  20.758  -2.919   1.855
  101    H    LEU  16           H        LEU  16  19.701  -0.086   0.407
  102    HA   LEU  16           HA       LEU  16  22.419   0.226  -0.117
  103    HB2  LEU  16           HB2      LEU  16  19.933   1.133  -1.215
  104    HB3  LEU  16           HB3      LEU  16  21.035   2.507  -1.122
  105    HG   LEU  16           HG       LEU  16  21.882  -0.165  -2.260
  106   HD11  LEU  16          HD11      LEU  16  20.206   0.388  -3.784
  107   HD12  LEU  16          HD12      LEU  16  21.590   1.230  -4.481
  108   HD13  LEU  16          HD13      LEU  16  20.404   2.122  -3.527
  109   HD21  LEU  16          HD21      LEU  16  23.869   0.866  -2.582
  110   HD22  LEU  16          HD22      LEU  16  23.268   2.167  -1.556
  111   HD23  LEU  16          HD23      LEU  16  23.091   2.272  -3.307
  112    H    LYS  17           H        LYS  17  20.250   1.996   1.930
  113    HA   LYS  17           HA       LYS  17  21.745   4.368   2.282
  114    HB2  LYS  17           HB2      LYS  17  19.942   3.020   4.304
  115    HB3  LYS  17           HB3      LYS  17  20.381   4.727   4.251
  116    HG2  LYS  17           HG2      LYS  17  19.120   3.509   1.822
  117    HG3  LYS  17           HG3      LYS  17  18.090   3.881   3.204
  118    HD2  LYS  17           HD2      LYS  17  19.949   6.054   2.573
  119    HD3  LYS  17           HD3      LYS  17  18.857   5.681   1.241
  120    HE2  LYS  17           HE2      LYS  17  16.924   6.045   2.584
  121    HE3  LYS  17           HE3      LYS  17  17.866   6.035   4.074
  122    HZ1  LYS  17           HZ1      LYS  17  18.751   7.996   2.172
  123    HZ2  LYS  17           HZ2      LYS  17  18.407   8.166   3.828
  124    HZ3  LYS  17           HZ3      LYS  17  17.154   8.243   2.683
  125    H    GLU  18           H        GLU  18  21.939   1.199   3.776
  126    HA   GLU  18           HA       GLU  18  23.654   1.925   5.922
  127    HB2  GLU  18           HB2      GLU  18  22.277  -0.306   5.365
  128    HB3  GLU  18           HB3      GLU  18  23.852  -0.798   4.740
  129    HG2  GLU  18           HG2      GLU  18  23.960  -1.455   6.991
  130    HG3  GLU  18           HG3      GLU  18  24.772   0.110   7.001
  131    H    LYS  19           H        LYS  19  24.318   0.404   2.779
  132    HA   LYS  19           HA       LYS  19  27.134   0.420   3.053
  133    HB2  LYS  19           HB2      LYS  19  25.196   0.017   0.836
  134    HB3  LYS  19           HB3      LYS  19  26.848   0.442   0.387
  135    HG2  LYS  19           HG2      LYS  19  27.726  -1.519   1.203
  136    HG3  LYS  19           HG3      LYS  19  26.517  -1.651   2.481
  137    HD2  LYS  19           HD2      LYS  19  24.810  -2.219   0.746
  138    HD3  LYS  19           HD3      LYS  19  26.091  -2.210  -0.467
  139    HE2  LYS  19           HE2      LYS  19  26.607  -3.854   1.950
  140    HE3  LYS  19           HE3      LYS  19  25.343  -4.444   0.873
  141    HZ1  LYS  19           HZ1      LYS  19  26.926  -4.226  -0.977
  142    HZ2  LYS  19           HZ2      LYS  19  27.450  -5.335   0.198
  143    HZ3  LYS  19           HZ3      LYS  19  28.137  -3.782   0.122
  144    H    LYS  20           H        LYS  20  24.825   2.760   1.784
  145    HA   LYS  20           HA       LYS  20  26.693   4.516   0.586
  146    HB2  LYS  20           HB2      LYS  20  24.106   4.474   0.394
  147    HB3  LYS  20           HB3      LYS  20  24.135   5.455   1.861
  148    HG2  LYS  20           HG2      LYS  20  24.131   7.028   0.079
  149    HG3  LYS  20           HG3      LYS  20  25.808   6.964   0.623
  150    HD2  LYS  20           HD2      LYS  20  26.385   6.474  -1.499
  151    HD3  LYS  20           HD3      LYS  20  25.590   4.915  -1.281
  152    HE2  LYS  20           HE2      LYS  20  24.105   7.418  -2.114
  153    HE3  LYS  20           HE3      LYS  20  24.772   6.264  -3.271
  154    HZ1  LYS  20           HZ1      LYS  20  22.594   5.891  -1.324
  155    HZ2  LYS  20           HZ2      LYS  20  23.485   4.550  -1.867
  156    HZ3  LYS  20           HZ3      LYS  20  22.629   5.511  -2.976
  157    H    GLU  21           H        GLU  21  25.495   4.163   3.882
  158    HA   GLU  21           HA       GLU  21  26.413   6.562   4.988
  159    HB2  GLU  21           HB2      GLU  21  25.232   4.248   5.954
  160    HB3  GLU  21           HB3      GLU  21  26.817   4.249   6.729
  161    HG2  GLU  21           HG2      GLU  21  25.426   5.507   8.186
  162    HG3  GLU  21           HG3      GLU  21  26.363   6.709   7.299
  163    H    VAL  22           H        VAL  22  28.089   3.526   4.351
  164    HA   VAL  22           HA       VAL  22  30.505   4.061   5.666
  165    HB   VAL  22           HB       VAL  22  30.328   2.548   3.068
  166   HG11  VAL  22          HG11      VAL  22  32.541   2.631   3.932
  167   HG12  VAL  22          HG12      VAL  22  31.914   1.062   4.440
  168   HG13  VAL  22          HG13      VAL  22  31.986   2.398   5.589
  169   HG21  VAL  22          HG21      VAL  22  29.353   1.727   5.818
  170   HG22  VAL  22          HG22      VAL  22  29.669   0.581   4.516
  171   HG23  VAL  22          HG23      VAL  22  28.409   1.800   4.330
  172    H    VAL  23           H        VAL  23  29.237   5.208   2.624
  173    HA   VAL  23           HA       VAL  23  31.516   5.972   1.260
  174    HB   VAL  23           HB       VAL  23  29.028   6.233   0.605
  175   HG11  VAL  23          HG11      VAL  23  27.912   8.195   1.195
  176   HG12  VAL  23          HG12      VAL  23  29.407   9.052   1.563
  177   HG13  VAL  23          HG13      VAL  23  28.789   7.840   2.684
  178   HG21  VAL  23          HG21      VAL  23  31.380   7.915  -0.071
  179   HG22  VAL  23          HG22      VAL  23  29.818   8.518  -0.626
  180   HG23  VAL  23          HG23      VAL  23  30.372   6.918  -1.120
  181    H    GLU  24           H        GLU  24  29.954   7.540   4.001
  182    HA   GLU  24           HA       GLU  24  31.257   9.990   4.014
  183    HB2  GLU  24           HB2      GLU  24  30.531   8.233   6.368
  184    HB3  GLU  24           HB3      GLU  24  30.962   9.940   6.478
  185    HG2  GLU  24           HG2      GLU  24  29.061  10.203   4.653
  186    HG3  GLU  24           HG3      GLU  24  28.499   8.677   5.333
  187    H    GLU  25           H        GLU  25  32.374   6.833   5.092
  188    HA   GLU  25           HA       GLU  25  34.736   7.589   6.387
  189    HB2  GLU  25           HB2      GLU  25  34.218   5.100   4.739
  190    HB3  GLU  25           HB3      GLU  25  35.502   5.301   5.933
  191    HG2  GLU  25           HG2      GLU  25  33.676   5.823   7.630
  192    HG3  GLU  25           HG3      GLU  25  32.516   5.276   6.419
  193    H    ALA  26           H        ALA  26  33.842   7.869   3.130
  194    HA   ALA  26           HA       ALA  26  36.191   7.468   1.705
  195    HB1  ALA  26           HB1      ALA  26  34.094   8.021   0.595
  196    HB2  ALA  26           HB2      ALA  26  35.334   9.187   0.131
  197    HB3  ALA  26           HB3      ALA  26  34.108   9.630   1.318
  198    H    GLU  27           H        GLU  27  35.302  10.091   3.848
  199    HA   GLU  27           HA       GLU  27  37.275  11.962   3.098
  200    HB2  GLU  27           HB2      GLU  27  35.231  11.839   4.986
  201    HB3  GLU  27           HB3      GLU  27  36.702  11.972   5.951
  202    HG2  GLU  27           HG2      GLU  27  36.128  14.216   5.505
  203    HG3  GLU  27           HG3      GLU  27  37.369  13.857   4.306
  204    H    ASN  28           H        ASN  28  37.682   8.900   4.335
  205    HA   ASN  28           HA       ASN  28  39.353   7.843   5.546
  206    HB2  ASN  28           HB2      ASN  28  41.223   7.793   4.258
  207    HB3  ASN  28           HB3      ASN  28  40.258   8.786   3.170
  208   HD21  ASN  28          HD21      ASN  28  43.283   8.749   3.854
  209   HD22  ASN  28          HD22      ASN  28  43.631  10.375   4.195
  Start of MODEL   13
    1    H1   ACE   0           H1       ACE   0  -0.616 -18.259   1.103
    2    H2   ACE   0           H2       ACE   0  -0.152 -19.236   2.497
    3    H3   ACE   0           H3       ACE   0   0.522 -19.592   0.906
    4    H    SER   1           H        SER   1   1.885 -17.884  -0.083
    5    HA   SER   1           HA       SER   1   2.946 -15.785   1.566
    6    HB2  SER   1           HB2      SER   1   4.106 -18.376   1.831
    7    HB3  SER   1           HB3      SER   1   5.261 -17.345   0.991
    8    HG   SER   1           HG       SER   1   3.867 -16.407   3.251
    9    H    ASP   2           H        ASP   2   2.339 -17.229  -1.350
   10    HA   ASP   2           HA       ASP   2   4.434 -16.483  -3.028
   11    HB2  ASP   2           HB2      ASP   2   1.529 -16.268  -3.809
   12    HB3  ASP   2           HB3      ASP   2   2.904 -16.684  -4.829
   13    H    ALA   3           H        ALA   3   1.742 -14.566  -1.774
   14    HA   ALA   3           HA       ALA   3   2.090 -12.270  -3.354
   15    HB1  ALA   3           HB1      ALA   3   0.312 -12.988  -1.447
   16    HB2  ALA   3           HB2      ALA   3   0.507 -11.332  -2.020
   17    HB3  ALA   3           HB3      ALA   3   1.301 -11.849  -0.533
   18    H    ALA   4           H        ALA   4   4.087 -13.594  -0.930
   19    HA   ALA   4           HA       ALA   4   5.237 -11.315   0.228
   20    HB1  ALA   4           HB1      ALA   4   6.728 -13.856  -0.440
   21    HB2  ALA   4           HB2      ALA   4   5.597 -13.731   0.907
   22    HB3  ALA   4           HB3      ALA   4   7.049 -12.730   0.880
   23    H    VAL   5           H        VAL   5   5.502 -12.579  -2.960
   24    HA   VAL   5           HA       VAL   5   8.025 -11.624  -3.718
   25    HB   VAL   5           HB       VAL   5   7.011 -11.574  -6.040
   26   HG11  VAL   5          HG11      VAL   5   7.954 -13.623  -4.657
   27   HG12  VAL   5          HG12      VAL   5   7.152 -13.889  -6.205
   28   HG13  VAL   5          HG13      VAL   5   6.273 -14.152  -4.701
   29   HG21  VAL   5          HG21      VAL   5   4.664 -13.007  -5.616
   30   HG22  VAL   5          HG22      VAL   5   4.763 -11.311  -6.086
   31   HG23  VAL   5          HG23      VAL   5   4.602 -11.747  -4.384
   32    H    ASP   6           H        ASP   6   4.858 -10.043  -3.595
   33    HA   ASP   6           HA       ASP   6   5.605  -7.642  -4.879
   34    HB2  ASP   6           HB2      ASP   6   3.359  -8.602  -3.283
   35    HB3  ASP   6           HB3      ASP   6   3.723  -6.905  -2.976
   36    H    THR   7           H        THR   7   5.738  -8.691  -1.515
   37    HA   THR   7           HA       THR   7   6.651  -6.248  -0.412
   38    HB   THR   7           HB       THR   7   7.369  -7.603   1.508
   39    HG1  THR   7           HG1      THR   7   6.535  -9.989   0.716
   40   HG21  THR   7          HG21      THR   7   5.217  -8.447   2.107
   41   HG22  THR   7          HG22      THR   7   4.784  -8.731   0.421
   42   HG23  THR   7          HG23      THR   7   4.922  -7.081   1.030
   43    H    SER   8           H        SER   8   8.247  -8.996  -1.914
   44    HA   SER   8           HA       SER   8  10.888  -8.628  -1.281
   45    HB2  SER   8           HB2      SER   8   9.513 -10.088  -3.178
   46    HB3  SER   8           HB3      SER   8  10.513  -9.021  -4.158
   47    HG   SER   8           HG       SER   8  12.119 -10.254  -3.639
   48    H    SER   9           H        SER   9   8.843  -6.417  -2.879
   49    HA   SER   9           HA       SER   9  10.460  -5.007  -4.604
   50    HB2  SER   9           HB2      SER   9   8.149  -4.347  -2.896
   51    HB3  SER   9           HB3      SER   9   9.143  -2.970  -3.364
   52    HG   SER   9           HG       SER   9   8.381  -4.918  -5.252
   53    H    GLU  10           H        GLU  10  10.867  -5.430  -1.238
   54    HA   GLU  10           HA       GLU  10  12.302  -3.040  -0.646
   55    HB2  GLU  10           HB2      GLU  10  11.417  -5.337   0.767
   56    HB3  GLU  10           HB3      GLU  10  13.158  -5.217   1.013
   57    HG2  GLU  10           HG2      GLU  10  12.918  -2.880   1.723
   58    HG3  GLU  10           HG3      GLU  10  11.182  -2.956   1.431
   59    H    ILE  11           H        ILE  11  13.201  -6.198  -1.891
   60    HA   ILE  11           HA       ILE  11  15.323  -7.094  -2.314
   61    HB   ILE  11           HB       ILE  11  16.431  -5.310  -4.006
   62   HG12  ILE  11          HG12      ILE  11  13.485  -4.587  -3.858
   63   HG13  ILE  11          HG13      ILE  11  14.814  -3.542  -3.353
   64   HG21  ILE  11          HG21      ILE  11  13.900  -6.874  -4.595
   65   HG22  ILE  11          HG22      ILE  11  15.514  -7.581  -4.512
   66   HG23  ILE  11          HG23      ILE  11  15.133  -6.395  -5.761
   67   HD11  ILE  11          HD11      ILE  11  14.699  -2.762  -5.491
   68   HD12  ILE  11          HD12      ILE  11  13.865  -4.202  -6.073
   69   HD13  ILE  11          HD13      ILE  11  15.618  -4.217  -5.874
   70    H    THR  12           H        THR  12  16.767  -4.047  -2.912
   71    HA   THR  12           HA       THR  12  17.988  -3.845  -0.268
   72    HB   THR  12           HB       THR  12  20.066  -4.573  -0.798
   73    HG1  THR  12           HG1      THR  12  19.581  -3.496  -3.373
   74   HG21  THR  12          HG21      THR  12  20.092  -6.330  -2.530
   75   HG22  THR  12          HG22      THR  12  18.557  -5.731  -3.157
   76   HG23  THR  12          HG23      THR  12  18.635  -6.432  -1.541
   77    H    THR  13           H        THR  13  16.265  -2.069  -1.499
   78    HA   THR  13           HA       THR  13  17.849   0.026  -2.757
   79    HB   THR  13           HB       THR  13  14.924  -0.222  -2.055
   80    HG1  THR  13           HG1      THR  13  15.964  -1.268  -3.936
   81   HG21  THR  13          HG21      THR  13  15.493   2.099  -1.730
   82   HG22  THR  13          HG22      THR  13  14.703   1.957  -3.301
   83   HG23  THR  13          HG23      THR  13  16.457   2.119  -3.207
   84    H    LYS  14           H        LYS  14  15.892  -0.350   0.197
   85    HA   LYS  14           HA       LYS  14  16.739   2.167   1.283
   86    HB2  LYS  14           HB2      LYS  14  14.585   1.221   1.920
   87    HB3  LYS  14           HB3      LYS  14  15.380  -0.212   2.575
   88    HG2  LYS  14           HG2      LYS  14  16.240   0.936   4.409
   89    HG3  LYS  14           HG3      LYS  14  16.190   2.495   3.583
   90    HD2  LYS  14           HD2      LYS  14  13.766   2.563   3.743
   91    HD3  LYS  14           HD3      LYS  14  13.728   0.935   4.419
   92    HE2  LYS  14           HE2      LYS  14  14.174   3.465   5.769
   93    HE3  LYS  14           HE3      LYS  14  13.870   1.873   6.463
   94    HZ1  LYS  14           HZ1      LYS  14  16.141   3.094   6.824
   95    HZ2  LYS  14           HZ2      LYS  14  16.509   2.408   5.314
   96    HZ3  LYS  14           HZ3      LYS  14  16.079   1.411   6.622
   97    H    ASP  15           H        ASP  15  17.802  -1.158   1.503
   98    HA   ASP  15           HA       ASP  15  19.484  -0.941   3.761
   99    HB2  ASP  15           HB2      ASP  15  19.226  -2.766   1.436
  100    HB3  ASP  15           HB3      ASP  15  20.763  -2.785   2.297
  101    H    LEU  16           H        LEU  16  19.889  -0.138   0.378
  102    HA   LEU  16           HA       LEU  16  22.649   0.179   0.212
  103    HB2  LEU  16           HB2      LEU  16  20.701   0.495  -1.556
  104    HB3  LEU  16           HB3      LEU  16  20.858   2.189  -1.091
  105    HG   LEU  16           HG       LEU  16  23.381   1.896  -1.471
  106   HD11  LEU  16          HD11      LEU  16  24.186  -0.077  -2.224
  107   HD12  LEU  16          HD12      LEU  16  22.909  -0.218  -3.433
  108   HD13  LEU  16          HD13      LEU  16  22.625  -0.768  -1.780
  109   HD21  LEU  16          HD21      LEU  16  21.995   3.154  -3.033
  110   HD22  LEU  16          HD22      LEU  16  21.423   1.661  -3.778
  111   HD23  LEU  16          HD23      LEU  16  23.111   2.144  -3.952
  112    H    LYS  17           H        LYS  17  20.212   2.132   1.741
  113    HA   LYS  17           HA       LYS  17  21.621   4.556   1.994
  114    HB2  LYS  17           HB2      LYS  17  19.153   3.999   2.578
  115    HB3  LYS  17           HB3      LYS  17  19.800   3.542   4.155
  116    HG2  LYS  17           HG2      LYS  17  20.887   5.785   4.316
  117    HG3  LYS  17           HG3      LYS  17  20.111   6.235   2.796
  118    HD2  LYS  17           HD2      LYS  17  18.562   7.057   4.318
  119    HD3  LYS  17           HD3      LYS  17  17.921   5.434   4.053
  120    HE2  LYS  17           HE2      LYS  17  19.762   5.004   6.053
  121    HE3  LYS  17           HE3      LYS  17  19.133   6.599   6.468
  122    HZ1  LYS  17           HZ1      LYS  17  17.140   5.764   6.981
  123    HZ2  LYS  17           HZ2      LYS  17  17.941   4.269   7.086
  124    HZ3  LYS  17           HZ3      LYS  17  17.120   4.697   5.662
  125    H    GLU  18           H        GLU  18  21.465   1.742   4.136
  126    HA   GLU  18           HA       GLU  18  23.195   2.763   6.132
  127    HB2  GLU  18           HB2      GLU  18  21.937   0.905   6.811
  128    HB3  GLU  18           HB3      GLU  18  22.306   0.001   5.342
  129    HG2  GLU  18           HG2      GLU  18  24.609   0.791   7.059
  130    HG3  GLU  18           HG3      GLU  18  23.558  -0.490   7.665
  131    H    LYS  19           H        LYS  19  23.738   0.931   3.172
  132    HA   LYS  19           HA       LYS  19  26.540   0.531   3.606
  133    HB2  LYS  19           HB2      LYS  19  25.028  -0.815   2.050
  134    HB3  LYS  19           HB3      LYS  19  25.133   0.545   0.933
  135    HG2  LYS  19           HG2      LYS  19  27.762  -0.193   1.939
  136    HG3  LYS  19           HG3      LYS  19  26.966  -1.562   1.162
  137    HD2  LYS  19           HD2      LYS  19  26.591  -0.270  -0.859
  138    HD3  LYS  19           HD3      LYS  19  27.206   1.190  -0.085
  139    HE2  LYS  19           HE2      LYS  19  29.262   0.638  -0.815
  140    HE3  LYS  19           HE3      LYS  19  29.216  -0.757   0.261
  141    HZ1  LYS  19           HZ1      LYS  19  29.001  -0.658  -2.579
  142    HZ2  LYS  19           HZ2      LYS  19  27.686  -1.482  -1.887
  143    HZ3  LYS  19           HZ3      LYS  19  29.276  -1.990  -1.567
  144    H    LYS  20           H        LYS  20  24.571   2.940   1.941
  145    HA   LYS  20           HA       LYS  20  26.669   4.332   0.658
  146    HB2  LYS  20           HB2      LYS  20  24.206   4.597   0.191
  147    HB3  LYS  20           HB3      LYS  20  24.085   5.519   1.690
  148    HG2  LYS  20           HG2      LYS  20  25.590   7.204   0.874
  149    HG3  LYS  20           HG3      LYS  20  26.019   6.224  -0.529
  150    HD2  LYS  20           HD2      LYS  20  24.367   7.251  -1.662
  151    HD3  LYS  20           HD3      LYS  20  23.215   6.434  -0.604
  152    HE2  LYS  20           HE2      LYS  20  24.568   9.024   0.173
  153    HE3  LYS  20           HE3      LYS  20  23.031   8.982  -0.691
  154    HZ1  LYS  20           HZ1      LYS  20  22.802   9.114   1.753
  155    HZ2  LYS  20           HZ2      LYS  20  23.537   7.588   1.880
  156    HZ3  LYS  20           HZ3      LYS  20  22.045   7.753   1.081
  157    H    GLU  21           H        GLU  21  25.361   4.437   3.913
  158    HA   GLU  21           HA       GLU  21  26.525   6.850   4.786
  159    HB2  GLU  21           HB2      GLU  21  25.681   4.325   6.195
  160    HB3  GLU  21           HB3      GLU  21  26.446   5.648   7.076
  161    HG2  GLU  21           HG2      GLU  21  24.650   7.133   5.863
  162    HG3  GLU  21           HG3      GLU  21  23.797   5.604   5.661
  163    H    VAL  22           H        VAL  22  27.795   3.586   4.472
  164    HA   VAL  22           HA       VAL  22  30.158   3.852   5.952
  165    HB   VAL  22           HB       VAL  22  29.679   2.258   3.419
  166   HG11  VAL  22          HG11      VAL  22  31.496   0.834   4.760
  167   HG12  VAL  22          HG12      VAL  22  31.923   2.427   5.386
  168   HG13  VAL  22          HG13      VAL  22  31.973   2.120   3.650
  169   HG21  VAL  22          HG21      VAL  22  29.399   0.402   5.171
  170   HG22  VAL  22          HG22      VAL  22  28.082   1.570   5.056
  171   HG23  VAL  22          HG23      VAL  22  29.260   1.695   6.363
  172    H    VAL  23           H        VAL  23  29.220   5.144   2.879
  173    HA   VAL  23           HA       VAL  23  31.624   5.601   1.592
  174    HB   VAL  23           HB       VAL  23  29.188   6.230   0.914
  175   HG11  VAL  23          HG11      VAL  23  30.098   8.860   2.113
  176   HG12  VAL  23          HG12      VAL  23  28.941   7.782   2.895
  177   HG13  VAL  23          HG13      VAL  23  28.550   8.517   1.340
  178   HG21  VAL  23          HG21      VAL  23  30.421   6.845  -0.872
  179   HG22  VAL  23          HG22      VAL  23  31.799   7.251   0.151
  180   HG23  VAL  23          HG23      VAL  23  30.543   8.451  -0.156
  181    H    GLU  24           H        GLU  24  30.579   6.805   4.610
  182    HA   GLU  24           HA       GLU  24  31.764   9.290   4.847
  183    HB2  GLU  24           HB2      GLU  24  31.181   7.060   6.711
  184    HB3  GLU  24           HB3      GLU  24  32.360   8.249   7.265
  185    HG2  GLU  24           HG2      GLU  24  30.694  10.048   6.619
  186    HG3  GLU  24           HG3      GLU  24  29.513   8.762   6.374
  187    H    GLU  25           H        GLU  25  33.251   6.100   4.922
  188    HA   GLU  25           HA       GLU  25  35.819   6.788   5.778
  189    HB2  GLU  25           HB2      GLU  25  34.569   4.491   4.762
  190    HB3  GLU  25           HB3      GLU  25  35.903   4.814   3.655
  191    HG2  GLU  25           HG2      GLU  25  37.390   5.075   5.695
  192    HG3  GLU  25           HG3      GLU  25  36.050   4.454   6.658
  193    H    ALA  26           H        ALA  26  34.132   7.682   2.979
  194    HA   ALA  26           HA       ALA  26  36.223   7.935   1.098
  195    HB1  ALA  26           HB1      ALA  26  34.742   9.438  -0.088
  196    HB2  ALA  26           HB2      ALA  26  33.777   9.696   1.363
  197    HB3  ALA  26           HB3      ALA  26  33.784   8.117   0.578
  198    H    GLU  27           H        GLU  27  35.238   9.908   3.815
  199    HA   GLU  27           HA       GLU  27  36.669  12.269   3.095
  200    HB2  GLU  27           HB2      GLU  27  35.527  11.188   5.662
  201    HB3  GLU  27           HB3      GLU  27  36.550  12.622   5.681
  202    HG2  GLU  27           HG2      GLU  27  34.844  13.249   3.640
  203    HG3  GLU  27           HG3      GLU  27  33.789  12.287   4.672
  204    H    ASN  28           H        ASN  28  37.517   9.291   4.732
  205    HA   ASN  28           HA       ASN  28  39.542   8.427   5.386
  206    HB2  ASN  28           HB2      ASN  28  40.726  10.681   3.753
  207    HB3  ASN  28           HB3      ASN  28  41.542   9.203   4.257
  208   HD21  ASN  28          HD21      ASN  28  39.762  10.603   1.717
  209   HD22  ASN  28          HD22      ASN  28  39.381   9.176   0.880
  Start of MODEL   14
    1    H1   ACE   0           H1       ACE   0   0.930 -17.192  -6.702
    2    H2   ACE   0           H2       ACE   0   2.234 -17.053  -7.883
    3    H3   ACE   0           H3       ACE   0   1.265 -15.638  -7.467
    4    H    SER   1           H        SER   1   4.067 -17.414  -6.760
    5    HA   SER   1           HA       SER   1   4.574 -15.728  -4.392
    6    HB2  SER   1           HB2      SER   1   5.191 -17.488  -3.100
    7    HB3  SER   1           HB3      SER   1   4.168 -18.407  -4.201
    8    HG   SER   1           HG       SER   1   6.508 -19.044  -3.812
    9    H    ASP   2           H        ASP   2   6.190 -17.910  -6.676
   10    HA   ASP   2           HA       ASP   2   8.770 -16.944  -6.472
   11    HB2  ASP   2           HB2      ASP   2   7.495 -17.780  -9.081
   12    HB3  ASP   2           HB3      ASP   2   9.193 -17.911  -8.618
   13    H    ALA   3           H        ALA   3   6.047 -15.644  -8.287
   14    HA   ALA   3           HA       ALA   3   7.358 -13.753  -9.862
   15    HB1  ALA   3           HB1      ALA   3   5.273 -12.773 -10.187
   16    HB2  ALA   3           HB2      ALA   3   4.761 -13.074  -8.526
   17    HB3  ALA   3           HB3      ALA   3   4.820 -14.401  -9.686
   18    H    ALA   4           H        ALA   4   6.490 -13.704  -6.460
   19    HA   ALA   4           HA       ALA   4   6.937 -10.980  -5.917
   20    HB1  ALA   4           HB1      ALA   4   5.891 -12.645  -4.353
   21    HB2  ALA   4           HB2      ALA   4   7.127 -11.636  -3.603
   22    HB3  ALA   4           HB3      ALA   4   7.502 -13.298  -4.058
   23    H    VAL   5           H        VAL   5   9.097 -13.434  -6.822
   24    HA   VAL   5           HA       VAL   5  11.448 -12.770  -5.484
   25    HB   VAL   5           HB       VAL   5  11.031 -13.833  -8.284
   26   HG11  VAL   5          HG11      VAL   5  13.472 -14.701  -7.668
   27   HG12  VAL   5          HG12      VAL   5  13.489 -13.234  -6.689
   28   HG13  VAL   5          HG13      VAL   5  13.229 -13.130  -8.431
   29   HG21  VAL   5          HG21      VAL   5  10.345 -15.050  -6.006
   30   HG22  VAL   5          HG22      VAL   5  12.068 -15.427  -5.977
   31   HG23  VAL   5          HG23      VAL   5  11.075 -15.944  -7.340
   32    H    ASP   6           H        ASP   6   9.981 -11.354  -8.383
   33    HA   ASP   6           HA       ASP   6  12.147  -9.702  -9.109
   34    HB2  ASP   6           HB2      ASP   6   9.778 -10.195 -10.251
   35    HB3  ASP   6           HB3      ASP   6   9.375  -8.672  -9.459
   36    H    THR   7           H        THR   7   9.446  -9.246  -6.889
   37    HA   THR   7           HA       THR   7  10.012  -6.559  -6.181
   38    HB   THR   7           HB       THR   7   8.548  -6.916  -4.292
   39    HG1  THR   7           HG1      THR   7   8.203  -9.605  -4.769
   40   HG21  THR   7          HG21      THR   7   6.963  -6.818  -5.893
   41   HG22  THR   7          HG22      THR   7   6.858  -8.573  -5.744
   42   HG23  THR   7          HG23      THR   7   7.892  -7.853  -6.978
   43    H    SER   8           H        SER   8  11.123  -9.686  -4.992
   44    HA   SER   8           HA       SER   8  12.367  -9.018  -2.628
   45    HB2  SER   8           HB2      SER   8  13.415 -11.039  -2.790
   46    HB3  SER   8           HB3      SER   8  12.277 -11.257  -4.117
   47    HG   SER   8           HG       SER   8  15.017 -10.757  -4.146
   48    H    SER   9           H        SER   9  13.141  -7.882  -5.759
   49    HA   SER   9           HA       SER   9  15.915  -7.357  -5.390
   50    HB2  SER   9           HB2      SER   9  14.925  -7.390  -7.620
   51    HB3  SER   9           HB3      SER   9  13.889  -6.027  -7.206
   52    HG   SER   9           HG       SER   9  15.617  -5.121  -8.177
   53    H    GLU  10           H        GLU  10  12.976  -5.595  -4.606
   54    HA   GLU  10           HA       GLU  10  14.234  -3.108  -4.019
   55    HB2  GLU  10           HB2      GLU  10  11.562  -4.257  -3.835
   56    HB3  GLU  10           HB3      GLU  10  11.934  -3.214  -2.461
   57    HG2  GLU  10           HG2      GLU  10  12.302  -1.337  -3.820
   58    HG3  GLU  10           HG3      GLU  10  12.572  -2.315  -5.261
   59    H    ILE  11           H        ILE  11  14.257  -6.090  -2.413
   60    HA   ILE  11           HA       ILE  11  14.285  -5.231   0.291
   61    HB   ILE  11           HB       ILE  11  14.034  -7.623  -0.683
   62   HG12  ILE  11          HG12      ILE  11  15.617  -6.847   1.769
   63   HG13  ILE  11          HG13      ILE  11  13.928  -7.342   1.668
   64   HG21  ILE  11          HG21      ILE  11  16.973  -7.831  -0.159
   65   HG22  ILE  11          HG22      ILE  11  16.449  -7.245  -1.738
   66   HG23  ILE  11          HG23      ILE  11  15.941  -8.837  -1.176
   67   HD11  ILE  11          HD11      ILE  11  15.223  -9.197   2.551
   68   HD12  ILE  11          HD12      ILE  11  16.356  -9.096   1.205
   69   HD13  ILE  11          HD13      ILE  11  14.692  -9.608   0.920
   70    H    THR  12           H        THR  12  16.061  -3.756  -1.658
   71    HA   THR  12           HA       THR  12  18.483  -3.864   0.020
   72    HB   THR  12           HB       THR  12  19.799  -3.371  -2.119
   73    HG1  THR  12           HG1      THR  12  17.537  -3.180  -3.178
   74   HG21  THR  12          HG21      THR  12  19.911  -5.529  -0.952
   75   HG22  THR  12          HG22      THR  12  19.938  -5.771  -2.698
   76   HG23  THR  12          HG23      THR  12  18.456  -6.070  -1.789
   77    H    THR  13           H        THR  13  15.999  -2.041  -1.294
   78    HA   THR  13           HA       THR  13  17.119   0.391  -1.982
   79    HB   THR  13           HB       THR  13  14.745   0.080  -2.198
   80    HG1  THR  13           HG1      THR  13  14.765   1.877  -0.078
   81   HG21  THR  13          HG21      THR  13  13.374  -0.708  -0.550
   82   HG22  THR  13          HG22      THR  13  14.211   0.188   0.717
   83   HG23  THR  13          HG23      THR  13  14.887  -1.323   0.113
   84    H    LYS  14           H        LYS  14  16.361  -0.860   1.240
   85    HA   LYS  14           HA       LYS  14  17.300   1.484   2.600
   86    HB2  LYS  14           HB2      LYS  14  17.205  -0.062   4.617
   87    HB3  LYS  14           HB3      LYS  14  15.686   0.154   3.749
   88    HG2  LYS  14           HG2      LYS  14  16.931  -1.981   2.440
   89    HG3  LYS  14           HG3      LYS  14  17.249  -2.271   4.151
   90    HD2  LYS  14           HD2      LYS  14  14.927  -2.261   4.689
   91    HD3  LYS  14           HD3      LYS  14  14.490  -1.571   3.126
   92    HE2  LYS  14           HE2      LYS  14  14.208  -3.656   2.334
   93    HE3  LYS  14           HE3      LYS  14  15.933  -3.938   2.566
   94    HZ1  LYS  14           HZ1      LYS  14  14.433  -4.091   5.004
   95    HZ2  LYS  14           HZ2      LYS  14  15.553  -5.188   4.350
   96    HZ3  LYS  14           HZ3      LYS  14  13.928  -5.235   3.857
   97    H    ASP  15           H        ASP  15  18.657  -1.634   1.696
   98    HA   ASP  15           HA       ASP  15  21.024  -1.596   3.187
   99    HB2  ASP  15           HB2      ASP  15  20.047  -3.357   1.493
  100    HB3  ASP  15           HB3      ASP  15  21.045  -2.486   0.330
  101    H    LEU  16           H        LEU  16  20.147  -0.109   0.139
  102    HA   LEU  16           HA       LEU  16  22.600   0.940  -0.663
  103    HB2  LEU  16           HB2      LEU  16  19.767   1.399  -1.214
  104    HB3  LEU  16           HB3      LEU  16  20.721   2.879  -1.326
  105    HG   LEU  16           HG       LEU  16  21.545   0.295  -2.665
  106   HD11  LEU  16          HD11      LEU  16  19.269   1.534  -3.354
  107   HD12  LEU  16          HD12      LEU  16  20.350   0.832  -4.558
  108   HD13  LEU  16          HD13      LEU  16  20.403   2.563  -4.229
  109   HD21  LEU  16          HD21      LEU  16  22.678   2.221  -4.112
  110   HD22  LEU  16          HD22      LEU  16  23.433   1.641  -2.627
  111   HD23  LEU  16          HD23      LEU  16  22.494   3.134  -2.614
  112    H    LYS  17           H        LYS  17  20.340   1.909   1.798
  113    HA   LYS  17           HA       LYS  17  21.401   4.524   2.252
  114    HB2  LYS  17           HB2      LYS  17  19.155   3.276   3.080
  115    HB3  LYS  17           HB3      LYS  17  20.156   3.093   4.523
  116    HG2  LYS  17           HG2      LYS  17  20.607   5.523   4.511
  117    HG3  LYS  17           HG3      LYS  17  19.579   5.701   3.088
  118    HD2  LYS  17           HD2      LYS  17  18.036   6.175   4.744
  119    HD3  LYS  17           HD3      LYS  17  17.826   4.426   4.632
  120    HE2  LYS  17           HE2      LYS  17  19.651   4.256   6.434
  121    HE3  LYS  17           HE3      LYS  17  19.407   5.985   6.682
  122    HZ1  LYS  17           HZ1      LYS  17  17.341   5.671   7.531
  123    HZ2  LYS  17           HZ2      LYS  17  18.033   4.193   8.003
  124    HZ3  LYS  17           HZ3      LYS  17  17.042   4.269   6.625
  125    H    GLU  18           H        GLU  18  21.741   1.477   4.027
  126    HA   GLU  18           HA       GLU  18  23.665   2.340   5.871
  127    HB2  GLU  18           HB2      GLU  18  23.157  -0.397   4.683
  128    HB3  GLU  18           HB3      GLU  18  24.257  -0.100   6.031
  129    HG2  GLU  18           HG2      GLU  18  22.503   0.630   7.449
  130    HG3  GLU  18           HG3      GLU  18  21.388   0.834   6.099
  131    H    LYS  19           H        LYS  19  23.968   1.079   2.594
  132    HA   LYS  19           HA       LYS  19  26.831   0.946   2.634
  133    HB2  LYS  19           HB2      LYS  19  25.190  -0.303   1.073
  134    HB3  LYS  19           HB3      LYS  19  25.169   1.192   0.137
  135    HG2  LYS  19           HG2      LYS  19  27.039   0.419  -0.871
  136    HG3  LYS  19           HG3      LYS  19  27.869   0.789   0.640
  137    HD2  LYS  19           HD2      LYS  19  27.093  -1.538   1.429
  138    HD3  LYS  19           HD3      LYS  19  26.737  -1.857  -0.269
  139    HE2  LYS  19           HE2      LYS  19  28.941  -2.627  -0.067
  140    HE3  LYS  19           HE3      LYS  19  29.167  -0.991  -0.685
  141    HZ1  LYS  19           HZ1      LYS  19  29.975  -0.258   1.279
  142    HZ2  LYS  19           HZ2      LYS  19  30.417  -1.889   1.454
  143    HZ3  LYS  19           HZ3      LYS  19  29.015  -1.299   2.210
  144    H    LYS  20           H        LYS  20  24.458   3.402   1.908
  145    HA   LYS  20           HA       LYS  20  26.275   5.150   0.523
  146    HB2  LYS  20           HB2      LYS  20  23.815   5.248   0.195
  147    HB3  LYS  20           HB3      LYS  20  23.635   5.795   1.863
  148    HG2  LYS  20           HG2      LYS  20  24.341   7.900   1.376
  149    HG3  LYS  20           HG3      LYS  20  25.607   7.323   0.291
  150    HD2  LYS  20           HD2      LYS  20  23.999   8.520  -1.053
  151    HD3  LYS  20           HD3      LYS  20  23.799   6.801  -1.398
  152    HE2  LYS  20           HE2      LYS  20  21.668   6.852  -0.678
  153    HE3  LYS  20           HE3      LYS  20  22.164   7.549   0.865
  154    HZ1  LYS  20           HZ1      LYS  20  21.490   8.962  -1.646
  155    HZ2  LYS  20           HZ2      LYS  20  22.331   9.721  -0.379
  156    HZ3  LYS  20           HZ3      LYS  20  20.761   9.124  -0.123
  157    H    GLU  21           H        GLU  21  25.301   4.634   3.837
  158    HA   GLU  21           HA       GLU  21  26.289   7.043   4.941
  159    HB2  GLU  21           HB2      GLU  21  25.434   4.404   5.941
  160    HB3  GLU  21           HB3      GLU  21  26.615   5.231   6.958
  161    HG2  GLU  21           HG2      GLU  21  25.189   7.245   6.976
  162    HG3  GLU  21           HG3      GLU  21  24.006   6.419   5.963
  163    H    VAL  22           H        VAL  22  27.811   3.969   4.126
  164    HA   VAL  22           HA       VAL  22  30.244   4.314   5.486
  165    HB   VAL  22           HB       VAL  22  31.106   2.578   4.147
  166   HG11  VAL  22          HG11      VAL  22  29.240   1.786   5.477
  167   HG12  VAL  22          HG12      VAL  22  29.177   0.985   3.907
  168   HG13  VAL  22          HG13      VAL  22  28.086   2.324   4.257
  169   HG21  VAL  22          HG21      VAL  22  30.994   2.973   1.916
  170   HG22  VAL  22          HG22      VAL  22  29.504   3.904   2.066
  171   HG23  VAL  22          HG23      VAL  22  29.440   2.142   1.988
  172    H    VAL  23           H        VAL  23  28.979   5.924   2.718
  173    HA   VAL  23           HA       VAL  23  31.110   6.621   1.171
  174    HB   VAL  23           HB       VAL  23  28.737   8.176   2.131
  175   HG11  VAL  23          HG11      VAL  23  29.510   9.977   0.473
  176   HG12  VAL  23          HG12      VAL  23  31.114   9.257   0.607
  177   HG13  VAL  23          HG13      VAL  23  30.332   9.941   2.032
  178   HG21  VAL  23          HG21      VAL  23  29.775   7.145  -0.522
  179   HG22  VAL  23          HG22      VAL  23  28.358   8.187  -0.380
  180   HG23  VAL  23          HG23      VAL  23  28.354   6.589   0.365
  181    H    GLU  24           H        GLU  24  30.455   7.655   4.449
  182    HA   GLU  24           HA       GLU  24  32.282   9.781   4.642
  183    HB2  GLU  24           HB2      GLU  24  30.682   8.216   6.427
  184    HB3  GLU  24           HB3      GLU  24  32.309   8.343   7.093
  185    HG2  GLU  24           HG2      GLU  24  32.254  10.743   6.990
  186    HG3  GLU  24           HG3      GLU  24  30.758  10.726   6.056
  187    H    GLU  25           H        GLU  25  32.694   6.295   4.904
  188    HA   GLU  25           HA       GLU  25  35.310   6.190   5.883
  189    HB2  GLU  25           HB2      GLU  25  33.470   4.330   5.079
  190    HB3  GLU  25           HB3      GLU  25  34.667   4.219   3.788
  191    HG2  GLU  25           HG2      GLU  25  36.434   4.098   5.634
  192    HG3  GLU  25           HG3      GLU  25  35.098   3.845   6.756
  193    H    ALA  26           H        ALA  26  34.098   7.377   2.938
  194    HA   ALA  26           HA       ALA  26  36.359   6.882   1.266
  195    HB1  ALA  26           HB1      ALA  26  34.343   9.118   1.026
  196    HB2  ALA  26           HB2      ALA  26  34.071   7.478   0.437
  197    HB3  ALA  26           HB3      ALA  26  35.361   8.462  -0.257
  198    H    GLU  27           H        GLU  27  35.312   9.682   3.149
  199    HA   GLU  27           HA       GLU  27  37.687  11.190   2.521
  200    HB2  GLU  27           HB2      GLU  27  35.393  12.175   2.992
  201    HB3  GLU  27           HB3      GLU  27  35.684  11.801   4.691
  202    HG2  GLU  27           HG2      GLU  27  36.351  14.113   4.199
  203    HG3  GLU  27           HG3      GLU  27  37.761  13.142   4.620
  204    H    ASN  28           H        ASN  28  36.508   9.287   5.236
  205    HA   ASN  28           HA       ASN  28  39.229   9.282   6.340
  206    HB2  ASN  28           HB2      ASN  28  38.096  11.057   7.565
  207    HB3  ASN  28           HB3      ASN  28  36.747   9.980   7.925
  208   HD21  ASN  28          HD21      ASN  28  40.295   9.368   8.066
  209   HD22  ASN  28          HD22      ASN  28  40.296   8.920   9.704
  Start of MODEL   15
    1    H1   ACE   0           H1       ACE   0  35.292  -2.816  -9.474
    2    H2   ACE   0           H2       ACE   0  35.991  -3.168  -7.894
    3    H3   ACE   0           H3       ACE   0  35.909  -1.502  -8.472
    4    H    SER   1           H        SER   1  34.099  -4.190  -7.153
    5    HA   SER   1           HA       SER   1  32.184  -4.195  -5.866
    6    HB2  SER   1           HB2      SER   1  31.732  -1.276  -6.343
    7    HB3  SER   1           HB3      SER   1  31.407  -2.239  -4.904
    8    HG   SER   1           HG       SER   1  33.816  -2.490  -4.895
    9    H    ASP   2           H        ASP   2  32.469  -3.397  -9.061
   10    HA   ASP   2           HA       ASP   2  29.995  -2.590  -9.969
   11    HB2  ASP   2           HB2      ASP   2  31.926  -4.598 -11.140
   12    HB3  ASP   2           HB3      ASP   2  30.498  -4.019 -11.999
   13    H    ALA   3           H        ALA   3  31.008  -5.784  -8.882
   14    HA   ALA   3           HA       ALA   3  28.749  -7.248  -9.680
   15    HB1  ALA   3           HB1      ALA   3  31.066  -7.665  -8.027
   16    HB2  ALA   3           HB2      ALA   3  30.061  -8.858  -8.848
   17    HB3  ALA   3           HB3      ALA   3  29.639  -8.319  -7.223
   18    H    ALA   4           H        ALA   4  29.224  -5.009  -7.052
   19    HA   ALA   4           HA       ALA   4  27.203  -5.827  -5.299
   20    HB1  ALA   4           HB1      ALA   4  28.060  -2.993  -5.933
   21    HB2  ALA   4           HB2      ALA   4  28.853  -4.063  -4.776
   22    HB3  ALA   4           HB3      ALA   4  27.201  -3.519  -4.487
   23    H    VAL   5           H        VAL   5  27.027  -3.817  -8.212
   24    HA   VAL   5           HA       VAL   5  24.335  -3.030  -7.951
   25    HB   VAL   5           HB       VAL   5  25.776  -3.538 -10.558
   26   HG11  VAL   5          HG11      VAL   5  23.776  -2.800 -11.322
   27   HG12  VAL   5          HG12      VAL   5  24.266  -1.219 -10.711
   28   HG13  VAL   5          HG13      VAL   5  23.266  -2.278  -9.716
   29   HG21  VAL   5          HG21      VAL   5  26.535  -1.173 -10.358
   30   HG22  VAL   5          HG22      VAL   5  27.228  -2.199  -9.102
   31   HG23  VAL   5          HG23      VAL   5  25.884  -1.124  -8.719
   32    H    ASP   6           H        ASP   6  25.879  -5.862  -9.387
   33    HA   ASP   6           HA       ASP   6  23.570  -7.025 -10.522
   34    HB2  ASP   6           HB2      ASP   6  25.589  -8.013 -11.198
   35    HB3  ASP   6           HB3      ASP   6  26.199  -8.121  -9.548
   36    H    THR   7           H        THR   7  25.011  -7.120  -7.322
   37    HA   THR   7           HA       THR   7  23.325  -9.059  -6.155
   38    HB   THR   7           HB       THR   7  24.545  -6.666  -4.758
   39    HG1  THR   7           HG1      THR   7  26.414  -7.676  -4.831
   40   HG21  THR   7          HG21      THR   7  23.337  -9.263  -3.941
   41   HG22  THR   7          HG22      THR   7  23.317  -7.704  -3.116
   42   HG23  THR   7          HG23      THR   7  24.756  -8.722  -3.043
   43    H    SER   8           H        SER   8  23.011  -5.610  -6.748
   44    HA   SER   8           HA       SER   8  20.867  -4.901  -5.170
   45    HB2  SER   8           HB2      SER   8  21.028  -4.128  -8.081
   46    HB3  SER   8           HB3      SER   8  20.394  -3.183  -6.737
   47    HG   SER   8           HG       SER   8  22.341  -2.500  -6.387
   48    H    SER   9           H        SER   9  20.955  -7.307  -7.574
   49    HA   SER   9           HA       SER   9  18.438  -7.343  -8.696
   50    HB2  SER   9           HB2      SER   9  18.712  -9.726  -8.964
   51    HB3  SER   9           HB3      SER   9  20.292  -8.972  -9.158
   52    HG   SER   9           HG       SER   9  20.581 -10.641  -7.756
   53    H    GLU  10           H        GLU  10  19.436  -8.502  -5.508
   54    HA   GLU  10           HA       GLU  10  16.873  -9.503  -4.743
   55    HB2  GLU  10           HB2      GLU  10  19.313  -8.683  -3.165
   56    HB3  GLU  10           HB3      GLU  10  17.869  -9.376  -2.425
   57    HG2  GLU  10           HG2      GLU  10  18.776 -11.400  -2.858
   58    HG3  GLU  10           HG3      GLU  10  18.401 -11.088  -4.552
   59    H    ILE  11           H        ILE  11  17.814  -6.461  -5.419
   60    HA   ILE  11           HA       ILE  11  17.035  -4.363  -4.963
   61    HB   ILE  11           HB       ILE  11  14.798  -4.243  -5.092
   62   HG12  ILE  11          HG12      ILE  11  14.582  -6.075  -2.679
   63   HG13  ILE  11          HG13      ILE  11  14.575  -4.311  -2.626
   64   HG21  ILE  11          HG21      ILE  11  13.760  -6.180  -5.877
   65   HG22  ILE  11          HG22      ILE  11  14.608  -7.220  -4.733
   66   HG23  ILE  11          HG23      ILE  11  15.468  -6.545  -6.117
   67   HD11  ILE  11          HD11      ILE  11  12.326  -4.501  -2.807
   68   HD12  ILE  11          HD12      ILE  11  12.425  -6.172  -3.363
   69   HD13  ILE  11          HD13      ILE  11  12.637  -4.848  -4.508
   70    H    THR  12           H        THR  12  17.993  -3.175  -3.495
   71    HA   THR  12           HA       THR  12  17.337  -3.510  -0.667
   72    HB   THR  12           HB       THR  12  19.965  -3.225  -0.322
   73    HG1  THR  12           HG1      THR  12  20.229  -5.057  -2.306
   74   HG21  THR  12          HG21      THR  12  18.490  -5.042   0.556
   75   HG22  THR  12          HG22      THR  12  20.081  -5.626   0.069
   76   HG23  THR  12          HG23      THR  12  18.686  -5.895  -0.975
   77    H    THR  13           H        THR  13  16.590  -1.515  -2.470
   78    HA   THR  13           HA       THR  13  18.170   0.729  -2.713
   79    HB   THR  13           HB       THR  13  15.857   0.422  -3.644
   80    HG1  THR  13           HG1      THR  13  15.945   2.490  -3.894
   81   HG21  THR  13          HG21      THR  13  14.952  -0.305  -1.355
   82   HG22  THR  13          HG22      THR  13  13.945   0.804  -2.287
   83   HG23  THR  13          HG23      THR  13  14.921   1.411  -0.950
   84    H    LYS  14           H        LYS  14  15.977  -0.035  -0.003
   85    HA   LYS  14           HA       LYS  14  16.845   2.221   1.533
   86    HB2  LYS  14           HB2      LYS  14  14.598   1.197   1.793
   87    HB3  LYS  14           HB3      LYS  14  15.357  -0.258   2.438
   88    HG2  LYS  14           HG2      LYS  14  16.502   1.430   4.105
   89    HG3  LYS  14           HG3      LYS  14  15.152   2.475   3.667
   90    HD2  LYS  14           HD2      LYS  14  14.704  -0.385   4.525
   91    HD3  LYS  14           HD3      LYS  14  14.835   0.918   5.705
   92    HE2  LYS  14           HE2      LYS  14  12.836   1.865   5.091
   93    HE3  LYS  14           HE3      LYS  14  13.005   1.383   3.403
   94    HZ1  LYS  14           HZ1      LYS  14  12.684  -0.971   4.283
   95    HZ2  LYS  14           HZ2      LYS  14  11.317   0.036   4.223
   96    HZ3  LYS  14           HZ3      LYS  14  12.108  -0.241   5.702
   97    H    ASP  15           H        ASP  15  17.774  -1.145   1.297
   98    HA   ASP  15           HA       ASP  15  19.356  -1.224   3.679
   99    HB2  ASP  15           HB2      ASP  15  18.727  -2.968   1.461
  100    HB3  ASP  15           HB3      ASP  15  20.451  -3.019   1.820
  101    H    LEU  16           H        LEU  16  19.840  -0.306   0.359
  102    HA   LEU  16           HA       LEU  16  22.617  -0.133   0.194
  103    HB2  LEU  16           HB2      LEU  16  20.457   0.534  -1.408
  104    HB3  LEU  16           HB3      LEU  16  21.204   2.095  -1.072
  105    HG   LEU  16           HG       LEU  16  23.443   0.912  -1.647
  106   HD11  LEU  16          HD11      LEU  16  22.887  -1.364  -1.759
  107   HD12  LEU  16          HD12      LEU  16  22.914  -0.895  -3.459
  108   HD13  LEU  16          HD13      LEU  16  21.375  -1.053  -2.612
  109   HD21  LEU  16          HD21      LEU  16  23.001   1.266  -4.115
  110   HD22  LEU  16          HD22      LEU  16  22.535   2.623  -3.090
  111   HD23  LEU  16          HD23      LEU  16  21.304   1.521  -3.708
  112    H    LYS  17           H        LYS  17  20.261   1.856   1.772
  113    HA   LYS  17           HA       LYS  17  21.611   4.258   2.123
  114    HB2  LYS  17           HB2      LYS  17  19.252   3.819   2.783
  115    HB3  LYS  17           HB3      LYS  17  19.848   2.870   4.146
  116    HG2  LYS  17           HG2      LYS  17  21.212   4.989   4.758
  117    HG3  LYS  17           HG3      LYS  17  20.125   5.833   3.656
  118    HD2  LYS  17           HD2      LYS  17  18.679   4.076   5.493
  119    HD3  LYS  17           HD3      LYS  17  19.624   5.298   6.341
  120    HE2  LYS  17           HE2      LYS  17  17.609   5.806   4.134
  121    HE3  LYS  17           HE3      LYS  17  17.401   6.183   5.846
  122    HZ1  LYS  17           HZ1      LYS  17  18.936   7.567   3.818
  123    HZ2  LYS  17           HZ2      LYS  17  19.715   7.401   5.319
  124    HZ3  LYS  17           HZ3      LYS  17  18.201   8.167   5.223
  125    H    GLU  18           H        GLU  18  21.714   1.348   4.130
  126    HA   GLU  18           HA       GLU  18  23.431   2.314   6.125
  127    HB2  GLU  18           HB2      GLU  18  22.736  -0.409   5.099
  128    HB3  GLU  18           HB3      GLU  18  24.063  -0.234   6.249
  129    HG2  GLU  18           HG2      GLU  18  22.662   0.223   7.968
  130    HG3  GLU  18           HG3      GLU  18  21.676   1.307   6.986
  131    H    LYS  19           H        LYS  19  24.171   0.607   3.106
  132    HA   LYS  19           HA       LYS  19  27.002   0.648   3.517
  133    HB2  LYS  19           HB2      LYS  19  25.146  -0.130   1.340
  134    HB3  LYS  19           HB3      LYS  19  26.777   0.326   0.848
  135    HG2  LYS  19           HG2      LYS  19  27.741  -1.297   2.398
  136    HG3  LYS  19           HG3      LYS  19  26.134  -1.710   2.999
  137    HD2  LYS  19           HD2      LYS  19  26.481  -1.897   0.064
  138    HD3  LYS  19           HD3      LYS  19  27.381  -3.080   1.013
  139    HE2  LYS  19           HE2      LYS  19  25.457  -4.043   1.892
  140    HE3  LYS  19           HE3      LYS  19  24.504  -2.574   1.685
  141    HZ1  LYS  19           HZ1      LYS  19  25.430  -4.408  -0.457
  142    HZ2  LYS  19           HZ2      LYS  19  24.650  -2.924  -0.736
  143    HZ3  LYS  19           HZ3      LYS  19  23.832  -4.179   0.063
  144    H    LYS  20           H        LYS  20  24.665   2.825   2.138
  145    HA   LYS  20           HA       LYS  20  26.520   4.451   0.692
  146    HB2  LYS  20           HB2      LYS  20  24.173   4.479   0.090
  147    HB3  LYS  20           HB3      LYS  20  23.726   5.013   1.712
  148    HG2  LYS  20           HG2      LYS  20  24.979   7.101   1.391
  149    HG3  LYS  20           HG3      LYS  20  25.480   6.567  -0.214
  150    HD2  LYS  20           HD2      LYS  20  23.630   7.878  -0.740
  151    HD3  LYS  20           HD3      LYS  20  22.888   6.284  -0.603
  152    HE2  LYS  20           HE2      LYS  20  21.481   7.284   0.872
  153    HE3  LYS  20           HE3      LYS  20  22.829   7.159   2.003
  154    HZ1  LYS  20           HZ1      LYS  20  23.412   9.389   0.583
  155    HZ2  LYS  20           HZ2      LYS  20  22.684   9.364   2.118
  156    HZ3  LYS  20           HZ3      LYS  20  21.725   9.479   0.720
  157    H    GLU  21           H        GLU  21  25.244   4.431   3.972
  158    HA   GLU  21           HA       GLU  21  26.156   7.006   4.744
  159    HB2  GLU  21           HB2      GLU  21  24.712   4.948   5.938
  160    HB3  GLU  21           HB3      GLU  21  26.194   5.033   6.890
  161    HG2  GLU  21           HG2      GLU  21  25.849   7.530   7.047
  162    HG3  GLU  21           HG3      GLU  21  24.271   7.297   6.295
  163    H    VAL  22           H        VAL  22  27.644   3.819   4.698
  164    HA   VAL  22           HA       VAL  22  29.942   4.361   6.211
  165    HB   VAL  22           HB       VAL  22  29.691   2.518   3.823
  166   HG11  VAL  22          HG11      VAL  22  31.405   1.298   5.485
  167   HG12  VAL  22          HG12      VAL  22  31.732   2.967   5.953
  168   HG13  VAL  22          HG13      VAL  22  31.949   2.461   4.277
  169   HG21  VAL  22          HG21      VAL  22  28.693   0.953   5.192
  170   HG22  VAL  22          HG22      VAL  22  28.076   2.415   5.964
  171   HG23  VAL  22          HG23      VAL  22  29.471   1.578   6.646
  172    H    VAL  23           H        VAL  23  29.054   5.268   2.977
  173    HA   VAL  23           HA       VAL  23  31.432   5.683   1.688
  174    HB   VAL  23           HB       VAL  23  29.037   6.243   0.919
  175   HG11  VAL  23          HG11      VAL  23  28.655   7.852   2.821
  176   HG12  VAL  23          HG12      VAL  23  28.318   8.531   1.229
  177   HG13  VAL  23          HG13      VAL  23  29.817   8.940   2.061
  178   HG21  VAL  23          HG21      VAL  23  31.063   8.369   0.230
  179   HG22  VAL  23          HG22      VAL  23  29.897   7.576  -0.828
  180   HG23  VAL  23          HG23      VAL  23  31.312   6.692  -0.259
  181    H    GLU  24           H        GLU  24  30.369   7.162   4.586
  182    HA   GLU  24           HA       GLU  24  31.626   9.629   4.589
  183    HB2  GLU  24           HB2      GLU  24  31.177   7.595   6.762
  184    HB3  GLU  24           HB3      GLU  24  31.986   9.127   7.094
  185    HG2  GLU  24           HG2      GLU  24  29.387   9.143   5.595
  186    HG3  GLU  24           HG3      GLU  24  29.367   8.944   7.347
  187    H    GLU  25           H        GLU  25  32.998   6.416   5.057
  188    HA   GLU  25           HA       GLU  25  35.560   7.124   5.929
  189    HB2  GLU  25           HB2      GLU  25  34.557   4.779   5.714
  190    HB3  GLU  25           HB3      GLU  25  35.009   4.858   4.010
  191    HG2  GLU  25           HG2      GLU  25  37.361   5.483   4.829
  192    HG3  GLU  25           HG3      GLU  25  36.822   4.961   6.424
  193    H    ALA  26           H        ALA  26  33.996   7.736   2.984
  194    HA   ALA  26           HA       ALA  26  36.080   7.678   1.115
  195    HB1  ALA  26           HB1      ALA  26  33.753   9.608   1.303
  196    HB2  ALA  26           HB2      ALA  26  33.745   8.050   0.477
  197    HB3  ALA  26           HB3      ALA  26  34.760   9.361  -0.125
  198    H    GLU  27           H        GLU  27  35.435   9.856   3.736
  199    HA   GLU  27           HA       GLU  27  37.108  11.998   2.783
  200    HB2  GLU  27           HB2      GLU  27  36.248  11.498   5.635
  201    HB3  GLU  27           HB3      GLU  27  36.694  13.034   4.892
  202    HG2  GLU  27           HG2      GLU  27  34.691  13.198   3.708
  203    HG3  GLU  27           HG3      GLU  27  34.404  11.460   3.749
  204    H    ASN  28           H        ASN  28  37.567   9.050   4.541
  205    HA   ASN  28           HA       ASN  28  39.394   8.134   5.619
  206    HB2  ASN  28           HB2      ASN  28  41.555   8.545   4.320
  207    HB3  ASN  28           HB3      ASN  28  40.214   7.847   3.414
  208   HD21  ASN  28          HD21      ASN  28  38.851   9.473   2.137
  209   HD22  ASN  28          HD22      ASN  28  39.635  10.839   1.505
  Start of MODEL   16
    1    H1   ACE   0           H1       ACE   0  12.424  19.933  -2.364
    2    H2   ACE   0           H2       ACE   0  13.892  20.088  -1.400
    3    H3   ACE   0           H3       ACE   0  12.334  19.874  -0.604
    4    H    SER   1           H        SER   1  12.330  18.013  -3.350
    5    HA   SER   1           HA       SER   1  12.415  15.744  -3.720
    6    HB2  SER   1           HB2      SER   1  14.468  14.778  -3.388
    7    HB3  SER   1           HB3      SER   1  14.917  16.462  -3.134
    8    HG   SER   1           HG       SER   1  14.767  14.366  -1.358
    9    H    ASP   2           H        ASP   2  11.283  17.025  -1.028
   10    HA   ASP   2           HA       ASP   2  11.290  15.105   0.976
   11    HB2  ASP   2           HB2      ASP   2   9.405  17.249   0.137
   12    HB3  ASP   2           HB3      ASP   2   8.791  16.028   1.250
   13    H    ALA   3           H        ALA   3   9.368  15.277  -1.974
   14    HA   ALA   3           HA       ALA   3   7.542  13.216  -1.427
   15    HB1  ALA   3           HB1      ALA   3   6.800  13.924  -3.418
   16    HB2  ALA   3           HB2      ALA   3   8.173  13.131  -4.192
   17    HB3  ALA   3           HB3      ALA   3   8.299  14.816  -3.685
   18    H    ALA   4           H        ALA   4  10.888  13.141  -2.432
   19    HA   ALA   4           HA       ALA   4  11.216  10.667  -3.540
   20    HB1  ALA   4           HB1      ALA   4  13.463  10.681  -2.714
   21    HB2  ALA   4           HB2      ALA   4  13.027  11.731  -1.366
   22    HB3  ALA   4           HB3      ALA   4  13.019  12.361  -3.013
   23    H    VAL   5           H        VAL   5  10.297  11.414  -0.283
   24    HA   VAL   5           HA       VAL   5  10.945   8.999   0.991
   25    HB   VAL   5           HB       VAL   5   8.583  10.817   1.527
   26   HG11  VAL   5          HG11      VAL   5   8.181   9.584   3.393
   27   HG12  VAL   5          HG12      VAL   5   9.898   9.370   3.730
   28   HG13  VAL   5          HG13      VAL   5   9.090   8.319   2.567
   29   HG21  VAL   5          HG21      VAL   5  10.029  12.001   3.037
   30   HG22  VAL   5          HG22      VAL   5  10.905  11.874   1.512
   31   HG23  VAL   5          HG23      VAL   5  11.308  10.800   2.851
   32    H    ASP   6           H        ASP   6   8.167   9.975  -0.961
   33    HA   ASP   6           HA       ASP   6   6.563   7.701  -0.511
   34    HB2  ASP   6           HB2      ASP   6   5.408   8.304  -2.556
   35    HB3  ASP   6           HB3      ASP   6   5.794   9.780  -1.673
   36    H    THR   7           H        THR   7   9.171   8.393  -2.764
   37    HA   THR   7           HA       THR   7   9.033   6.010  -4.276
   38    HB   THR   7           HB       THR   7  11.088   8.114  -3.785
   39    HG1  THR   7           HG1      THR   7   9.732   8.377  -5.497
   40   HG21  THR   7          HG21      THR   7  12.643   6.699  -5.277
   41   HG22  THR   7          HG22      THR   7  11.665   5.323  -4.769
   42   HG23  THR   7          HG23      THR   7  12.549   6.267  -3.570
   43    H    SER   8           H        SER   8  10.496   6.869  -1.205
   44    HA   SER   8           HA       SER   8  12.223   4.797  -0.696
   45    HB2  SER   8           HB2      SER   8  11.946   5.261   1.575
   46    HB3  SER   8           HB3      SER   8  11.401   6.758   0.823
   47    HG   SER   8           HG       SER   8   9.949   5.904   2.427
   48    H    SER   9           H        SER   9   8.879   4.567  -1.335
   49    HA   SER   9           HA       SER   9   8.015   2.365   0.080
   50    HB2  SER   9           HB2      SER   9   7.480   3.271  -2.739
   51    HB3  SER   9           HB3      SER   9   6.746   1.799  -2.109
   52    HG   SER   9           HG       SER   9   5.882   3.054  -0.412
   53    H    GLU  10           H        GLU  10  10.379   2.553  -2.459
   54    HA   GLU  10           HA       GLU  10  10.449  -0.089  -3.356
   55    HB2  GLU  10           HB2      GLU  10  12.220   2.227  -3.404
   56    HB3  GLU  10           HB3      GLU  10  13.110   0.709  -3.291
   57    HG2  GLU  10           HG2      GLU  10  12.176  -0.128  -5.288
   58    HG3  GLU  10           HG3      GLU  10  10.857   1.042  -5.265
   59    H    ILE  11           H        ILE  11  11.451   1.318  -0.353
   60    HA   ILE  11           HA       ILE  11  12.202   0.391   1.602
   61    HB   ILE  11           HB       ILE  11  11.228  -2.049   0.158
   62   HG12  ILE  11          HG12      ILE  11  10.517  -0.827   2.839
   63   HG13  ILE  11          HG13      ILE  11   9.701  -0.417   1.330
   64   HG21  ILE  11          HG21      ILE  11  13.013  -1.912   2.559
   65   HG22  ILE  11          HG22      ILE  11  12.964  -3.117   1.271
   66   HG23  ILE  11          HG23      ILE  11  11.727  -3.117   2.529
   67   HD11  ILE  11          HD11      ILE  11   8.463  -2.302   1.397
   68   HD12  ILE  11          HD12      ILE  11   9.063  -2.543   3.038
   69   HD13  ILE  11          HD13      ILE  11   9.891  -3.299   1.676
   70    H    THR  12           H        THR  12  13.438  -1.207  -1.307
   71    HA   THR  12           HA       THR  12  15.917  -1.989  -0.085
   72    HB   THR  12           HB       THR  12  15.123  -3.226  -2.008
   73    HG1  THR  12           HG1      THR  12  17.397  -1.613  -2.469
   74   HG21  THR  12          HG21      THR  12  15.356  -0.614  -3.526
   75   HG22  THR  12          HG22      THR  12  13.840  -1.372  -3.041
   76   HG23  THR  12          HG23      THR  12  14.894  -2.172  -4.209
   77    H    THR  13           H        THR  13  14.752   0.951  -0.516
   78    HA   THR  13           HA       THR  13  16.971   2.276  -1.799
   79    HB   THR  13           HB       THR  13  14.700   3.385  -0.128
   80    HG1  THR  13           HG1      THR  13  15.083   2.841  -2.856
   81   HG21  THR  13          HG21      THR  13  15.305   5.539  -1.106
   82   HG22  THR  13          HG22      THR  13  16.610   4.783  -2.021
   83   HG23  THR  13          HG23      THR  13  16.699   4.865  -0.261
   84    H    LYS  14           H        LYS  14  15.841   1.731   1.505
   85    HA   LYS  14           HA       LYS  14  17.956   3.253   2.706
   86    HB2  LYS  14           HB2      LYS  14  16.167   1.164   3.970
   87    HB3  LYS  14           HB3      LYS  14  17.114   2.388   4.816
   88    HG2  LYS  14           HG2      LYS  14  15.009   3.098   2.764
   89    HG3  LYS  14           HG3      LYS  14  14.644   2.937   4.483
   90    HD2  LYS  14           HD2      LYS  14  16.735   4.552   4.734
   91    HD3  LYS  14           HD3      LYS  14  16.300   4.999   3.083
   92    HE2  LYS  14           HE2      LYS  14  14.700   5.307   5.609
   93    HE3  LYS  14           HE3      LYS  14  15.012   6.491   4.340
   94    HZ1  LYS  14           HZ1      LYS  14  12.816   4.807   4.591
   95    HZ2  LYS  14           HZ2      LYS  14  13.692   4.261   3.240
   96    HZ3  LYS  14           HZ3      LYS  14  13.165   5.874   3.320
   97    H    ASP  15           H        ASP  15  17.427  -0.136   1.905
   98    HA   ASP  15           HA       ASP  15  19.497  -1.311   3.370
   99    HB2  ASP  15           HB2      ASP  15  17.859  -2.007   1.094
  100    HB3  ASP  15           HB3      ASP  15  19.519  -2.535   0.832
  101    H    LEU  16           H        LEU  16  19.466   0.373   0.304
  102    HA   LEU  16           HA       LEU  16  22.167   0.028  -0.433
  103    HB2  LEU  16           HB2      LEU  16  19.880   1.442  -1.373
  104    HB3  LEU  16           HB3      LEU  16  21.204   2.600  -1.255
  105    HG   LEU  16           HG       LEU  16  21.404  -0.094  -2.639
  106   HD11  LEU  16          HD11      LEU  16  20.758   0.881  -4.587
  107   HD12  LEU  16          HD12      LEU  16  21.604   2.385  -4.222
  108   HD13  LEU  16          HD13      LEU  16  20.003   2.087  -3.545
  109   HD21  LEU  16          HD21      LEU  16  23.615   0.342  -2.356
  110   HD22  LEU  16          HD22      LEU  16  23.310   2.013  -1.882
  111   HD23  LEU  16          HD23      LEU  16  23.386   1.582  -3.589
  112    H    LYS  17           H        LYS  17  20.546   2.180   1.778
  113    HA   LYS  17           HA       LYS  17  22.492   4.179   2.073
  114    HB2  LYS  17           HB2      LYS  17  20.147   4.178   3.031
  115    HB3  LYS  17           HB3      LYS  17  20.758   3.123   4.306
  116    HG2  LYS  17           HG2      LYS  17  22.645   5.115   4.287
  117    HG3  LYS  17           HG3      LYS  17  21.175   6.010   3.902
  118    HD2  LYS  17           HD2      LYS  17  20.064   4.886   5.865
  119    HD3  LYS  17           HD3      LYS  17  21.635   4.210   6.296
  120    HE2  LYS  17           HE2      LYS  17  20.823   7.120   6.213
  121    HE3  LYS  17           HE3      LYS  17  21.427   6.200   7.591
  122    HZ1  LYS  17           HZ1      LYS  17  22.881   7.571   5.567
  123    HZ2  LYS  17           HZ2      LYS  17  23.346   5.939   5.645
  124    HZ3  LYS  17           HZ3      LYS  17  23.434   6.918   7.032
  125    H    GLU  18           H        GLU  18  22.238   0.989   3.542
  126    HA   GLU  18           HA       GLU  18  24.183   1.262   5.534
  127    HB2  GLU  18           HB2      GLU  18  23.176  -1.088   3.955
  128    HB3  GLU  18           HB3      GLU  18  24.493  -1.278   5.112
  129    HG2  GLU  18           HG2      GLU  18  23.140  -0.907   6.925
  130    HG3  GLU  18           HG3      GLU  18  22.120   0.239   6.058
  131    H    LYS  19           H        LYS  19  24.536   0.219   2.157
  132    HA   LYS  19           HA       LYS  19  27.378  -0.100   2.358
  133    HB2  LYS  19           HB2      LYS  19  25.335  -0.266   0.217
  134    HB3  LYS  19           HB3      LYS  19  26.961   0.172  -0.306
  135    HG2  LYS  19           HG2      LYS  19  26.891  -2.209  -0.387
  136    HG3  LYS  19           HG3      LYS  19  27.785  -1.820   1.082
  137    HD2  LYS  19           HD2      LYS  19  25.533  -1.963   2.304
  138    HD3  LYS  19           HD3      LYS  19  24.908  -2.714   0.835
  139    HE2  LYS  19           HE2      LYS  19  25.689  -4.675   1.631
  140    HE3  LYS  19           HE3      LYS  19  27.312  -4.055   1.329
  141    HZ1  LYS  19           HZ1      LYS  19  27.364  -4.583   3.559
  142    HZ2  LYS  19           HZ2      LYS  19  25.769  -4.065   3.839
  143    HZ3  LYS  19           HZ3      LYS  19  27.007  -2.926   3.601
  144    H    LYS  20           H        LYS  20  25.209   2.488   1.357
  145    HA   LYS  20           HA       LYS  20  27.276   4.175   0.322
  146    HB2  LYS  20           HB2      LYS  20  24.375   4.404   0.874
  147    HB3  LYS  20           HB3      LYS  20  25.280   5.911   0.969
  148    HG2  LYS  20           HG2      LYS  20  26.296   4.960  -1.350
  149    HG3  LYS  20           HG3      LYS  20  24.715   4.184  -1.393
  150    HD2  LYS  20           HD2      LYS  20  24.488   6.312  -2.486
  151    HD3  LYS  20           HD3      LYS  20  23.700   6.455  -0.915
  152    HE2  LYS  20           HE2      LYS  20  25.082   8.133  -0.342
  153    HE3  LYS  20           HE3      LYS  20  26.483   7.100  -0.617
  154    HZ1  LYS  20           HZ1      LYS  20  25.033   8.500  -2.792
  155    HZ2  LYS  20           HZ2      LYS  20  26.524   7.694  -2.895
  156    HZ3  LYS  20           HZ3      LYS  20  26.398   9.141  -2.016
  157    H    GLU  21           H        GLU  21  25.870   3.599   3.471
  158    HA   GLU  21           HA       GLU  21  26.790   5.950   4.753
  159    HB2  GLU  21           HB2      GLU  21  25.182   4.778   5.978
  160    HB3  GLU  21           HB3      GLU  21  25.976   3.224   5.721
  161    HG2  GLU  21           HG2      GLU  21  27.573   3.610   7.357
  162    HG3  GLU  21           HG3      GLU  21  27.469   5.362   7.193
  163    H    VAL  22           H        VAL  22  28.257   2.752   4.275
  164    HA   VAL  22           HA       VAL  22  30.517   3.120   5.900
  165    HB   VAL  22           HB       VAL  22  30.531   1.569   3.313
  166   HG11  VAL  22          HG11      VAL  22  32.017   0.093   4.641
  167   HG12  VAL  22          HG12      VAL  22  31.854   1.184   6.017
  168   HG13  VAL  22          HG13      VAL  22  32.653   1.736   4.546
  169   HG21  VAL  22          HG21      VAL  22  28.629   0.606   4.171
  170   HG22  VAL  22          HG22      VAL  22  28.970   1.153   5.812
  171   HG23  VAL  22          HG23      VAL  22  29.797  -0.263   5.165
  172    H    VAL  23           H        VAL  23  29.876   4.107   2.573
  173    HA   VAL  23           HA       VAL  23  32.460   4.777   1.769
  174    HB   VAL  23           HB       VAL  23  29.880   6.185   1.055
  175   HG11  VAL  23          HG11      VAL  23  31.618   7.573   0.279
  176   HG12  VAL  23          HG12      VAL  23  31.282   6.539  -1.109
  177   HG13  VAL  23          HG13      VAL  23  32.673   6.206  -0.078
  178   HG21  VAL  23          HG21      VAL  23  30.403   4.605  -1.043
  179   HG22  VAL  23          HG22      VAL  23  29.464   4.031   0.334
  180   HG23  VAL  23          HG23      VAL  23  31.177   3.631   0.207
  181    H    GLU  24           H        GLU  24  30.271   6.484   3.917
  182    HA   GLU  24           HA       GLU  24  31.265   9.057   3.839
  183    HB2  GLU  24           HB2      GLU  24  30.096   7.380   6.005
  184    HB3  GLU  24           HB3      GLU  24  30.849   8.908   6.450
  185    HG2  GLU  24           HG2      GLU  24  28.559   9.426   6.036
  186    HG3  GLU  24           HG3      GLU  24  29.434   9.983   4.611
  187    H    GLU  25           H        GLU  25  32.640   6.235   5.460
  188    HA   GLU  25           HA       GLU  25  34.656   7.509   6.925
  189    HB2  GLU  25           HB2      GLU  25  33.964   4.966   6.752
  190    HB3  GLU  25           HB3      GLU  25  35.226   4.922   5.521
  191    HG2  GLU  25           HG2      GLU  25  36.535   4.506   7.366
  192    HG3  GLU  25           HG3      GLU  25  36.568   6.268   7.408
  193    H    ALA  26           H        ALA  26  34.191   7.052   3.572
  194    HA   ALA  26           HA       ALA  26  36.889   7.345   2.683
  195    HB1  ALA  26           HB1      ALA  26  34.520   8.172   1.041
  196    HB2  ALA  26           HB2      ALA  26  34.774   6.468   1.417
  197    HB3  ALA  26           HB3      ALA  26  36.003   7.368   0.528
  198    H    GLU  27           H        GLU  27  34.235   9.554   3.337
  199    HA   GLU  27           HA       GLU  27  35.215  11.891   2.184
  200    HB2  GLU  27           HB2      GLU  27  32.954  11.584   3.243
  201    HB3  GLU  27           HB3      GLU  27  33.737  11.731   4.817
  202    HG2  GLU  27           HG2      GLU  27  34.211  13.972   4.533
  203    HG3  GLU  27           HG3      GLU  27  34.307  13.837   2.779
  204    H    ASN  28           H        ASN  28  36.823  10.028   4.328
  205    HA   ASN  28           HA       ASN  28  38.874  11.884   4.812
  206    HB2  ASN  28           HB2      ASN  28  37.928  13.106   6.461
  207    HB3  ASN  28           HB3      ASN  28  36.657  11.919   6.736
  208   HD21  ASN  28          HD21      ASN  28  39.631  13.159   7.970
  209   HD22  ASN  28          HD22      ASN  28  39.862  11.997   9.185
  Start of MODEL   17
    1    H1   ACE   0           H1       ACE   0   3.068 -18.854  -9.882
    2    H2   ACE   0           H2       ACE   0   4.594 -18.595 -10.728
    3    H3   ACE   0           H3       ACE   0   3.156 -17.693 -11.205
    4    H    SER   1           H        SER   1   3.140 -18.009  -7.899
    5    HA   SER   1           HA       SER   1   4.072 -15.251  -7.557
    6    HB2  SER   1           HB2      SER   1   2.477 -17.117  -5.801
    7    HB3  SER   1           HB3      SER   1   3.057 -15.548  -5.251
    8    HG   SER   1           HG       SER   1   0.927 -15.470  -6.134
    9    H    ASP   2           H        ASP   2   4.802 -18.535  -6.565
   10    HA   ASP   2           HA       ASP   2   6.588 -18.013  -4.465
   11    HB2  ASP   2           HB2      ASP   2   5.635 -20.262  -5.233
   12    HB3  ASP   2           HB3      ASP   2   6.918 -20.265  -6.443
   13    H    ALA   3           H        ALA   3   7.065 -18.067  -7.962
   14    HA   ALA   3           HA       ALA   3   9.868 -17.981  -8.024
   15    HB1  ALA   3           HB1      ALA   3   9.010 -16.438 -10.186
   16    HB2  ALA   3           HB2      ALA   3   7.679 -17.555  -9.882
   17    HB3  ALA   3           HB3      ALA   3   9.301 -18.178 -10.185
   18    H    ALA   4           H        ALA   4   7.534 -15.528  -7.250
   19    HA   ALA   4           HA       ALA   4   8.873 -13.175  -7.810
   20    HB1  ALA   4           HB1      ALA   4   7.523 -13.386  -5.162
   21    HB2  ALA   4           HB2      ALA   4   6.557 -13.697  -6.605
   22    HB3  ALA   4           HB3      ALA   4   7.374 -12.147  -6.409
   23    H    VAL   5           H        VAL   5   9.854 -15.655  -5.702
   24    HA   VAL   5           HA       VAL   5  11.235 -14.247  -3.714
   25    HB   VAL   5           HB       VAL   5  12.643 -16.322  -3.554
   26   HG11  VAL   5          HG11      VAL   5  10.634 -17.828  -3.077
   27   HG12  VAL   5          HG12      VAL   5   9.626 -16.510  -3.676
   28   HG13  VAL   5          HG13      VAL   5  10.641 -16.270  -2.253
   29   HG21  VAL   5          HG21      VAL   5  12.807 -17.125  -5.760
   30   HG22  VAL   5          HG22      VAL   5  11.081 -16.920  -6.062
   31   HG23  VAL   5          HG23      VAL   5  11.646 -18.231  -5.024
   32    H    ASP   6           H        ASP   6  12.195 -15.214  -6.985
   33    HA   ASP   6           HA       ASP   6  14.910 -14.462  -6.794
   34    HB2  ASP   6           HB2      ASP   6  13.141 -14.302  -9.248
   35    HB3  ASP   6           HB3      ASP   6  14.900 -14.417  -9.220
   36    H    THR   7           H        THR   7  11.985 -12.691  -7.630
   37    HA   THR   7           HA       THR   7  13.212 -10.224  -8.286
   38    HB   THR   7           HB       THR   7  11.026  -9.274  -8.132
   39    HG1  THR   7           HG1      THR   7   9.361 -10.468  -7.062
   40   HG21  THR   7          HG21      THR   7   9.636 -10.968  -9.324
   41   HG22  THR   7          HG22      THR   7  10.837 -12.195  -8.920
   42   HG23  THR   7          HG23      THR   7  11.272 -10.851  -9.975
   43    H    SER   8           H        SER   8  12.358 -11.778  -5.285
   44    HA   SER   8           HA       SER   8  12.218  -9.707  -3.486
   45    HB2  SER   8           HB2      SER   8  12.083 -12.249  -3.086
   46    HB3  SER   8           HB3      SER   8  13.831 -12.173  -2.878
   47    HG   SER   8           HG       SER   8  13.176 -11.728  -0.892
   48    H    SER   9           H        SER   9  15.113 -11.068  -4.968
   49    HA   SER   9           HA       SER   9  17.101  -9.951  -3.406
   50    HB2  SER   9           HB2      SER   9  17.750  -9.663  -6.217
   51    HB3  SER   9           HB3      SER   9  18.443 -10.746  -5.013
   52    HG   SER   9           HG       SER   9  16.207 -11.110  -6.689
   53    H    GLU  10           H        GLU  10  14.998  -8.387  -5.724
   54    HA   GLU  10           HA       GLU  10  16.420  -5.983  -6.081
   55    HB2  GLU  10           HB2      GLU  10  13.482  -6.657  -6.221
   56    HB3  GLU  10           HB3      GLU  10  14.093  -5.039  -6.563
   57    HG2  GLU  10           HG2      GLU  10  15.729  -6.915  -7.971
   58    HG3  GLU  10           HG3      GLU  10  14.043  -7.306  -8.301
   59    H    ILE  11           H        ILE  11  14.539  -7.180  -3.424
   60    HA   ILE  11           HA       ILE  11  13.882  -4.726  -2.183
   61    HB   ILE  11           HB       ILE  11  14.409  -7.406  -0.882
   62   HG12  ILE  11          HG12      ILE  11  11.826  -6.204  -1.930
   63   HG13  ILE  11          HG13      ILE  11  12.739  -7.478  -2.739
   64   HG21  ILE  11          HG21      ILE  11  14.008  -6.253   1.016
   65   HG22  ILE  11          HG22      ILE  11  12.365  -5.999   0.427
   66   HG23  ILE  11          HG23      ILE  11  13.612  -4.792   0.112
   67   HD11  ILE  11          HD11      ILE  11  12.535  -8.817  -0.576
   68   HD12  ILE  11          HD12      ILE  11  11.038  -8.593  -1.482
   69   HD13  ILE  11          HD13      ILE  11  11.359  -7.613  -0.051
   70    H    THR  12           H        THR  12  15.759  -3.418  -2.379
   71    HA   THR  12           HA       THR  12  17.484  -3.513  -0.103
   72    HB   THR  12           HB       THR  12  19.401  -3.513  -2.189
   73    HG1  THR  12           HG1      THR  12  17.776  -4.658  -3.370
   74   HG21  THR  12          HG21      THR  12  20.121  -5.634  -0.990
   75   HG22  THR  12          HG22      THR  12  18.677  -5.461   0.009
   76   HG23  THR  12          HG23      THR  12  19.925  -4.216   0.042
   77    H    THR  13           H        THR  13  15.676  -1.661  -1.353
   78    HA   THR  13           HA       THR  13  17.241   0.366  -2.686
   79    HB   THR  13           HB       THR  13  15.184   1.708  -2.564
   80    HG1  THR  13           HG1      THR  13  13.777  -0.381  -1.417
   81   HG21  THR  13          HG21      THR  13  15.436  -0.012  -4.335
   82   HG22  THR  13          HG22      THR  13  13.749   0.218  -3.875
   83   HG23  THR  13          HG23      THR  13  14.640  -1.186  -3.287
   84    H    LYS  14           H        LYS  14  15.594   0.156   0.472
   85    HA   LYS  14           HA       LYS  14  16.766   2.582   1.449
   86    HB2  LYS  14           HB2      LYS  14  15.400   0.306   2.908
   87    HB3  LYS  14           HB3      LYS  14  15.840   1.850   3.636
   88    HG2  LYS  14           HG2      LYS  14  14.413   3.033   2.013
   89    HG3  LYS  14           HG3      LYS  14  13.977   1.494   1.270
   90    HD2  LYS  14           HD2      LYS  14  12.190   1.773   2.725
   91    HD3  LYS  14           HD3      LYS  14  13.297   0.860   3.751
   92    HE2  LYS  14           HE2      LYS  14  12.884   2.591   5.200
   93    HE3  LYS  14           HE3      LYS  14  14.179   3.353   4.277
   94    HZ1  LYS  14           HZ1      LYS  14  12.173   4.013   2.744
   95    HZ2  LYS  14           HZ2      LYS  14  12.580   4.940   4.108
   96    HZ3  LYS  14           HZ3      LYS  14  11.293   3.834   4.183
   97    H    ASP  15           H        ASP  15  17.598  -0.815   1.557
   98    HA   ASP  15           HA       ASP  15  19.521  -0.763   3.612
   99    HB2  ASP  15           HB2      ASP  15  19.180  -2.463   1.154
  100    HB3  ASP  15           HB3      ASP  15  20.519  -2.707   2.272
  101    H    LEU  16           H        LEU  16  19.634   0.127   0.234
  102    HA   LEU  16           HA       LEU  16  22.375   0.266  -0.214
  103    HB2  LEU  16           HB2      LEU  16  20.419   0.705  -1.841
  104    HB3  LEU  16           HB3      LEU  16  20.444   2.355  -1.222
  105    HG   LEU  16           HG       LEU  16  23.074   1.229  -2.028
  106   HD11  LEU  16          HD11      LEU  16  20.974   2.056  -4.056
  107   HD12  LEU  16          HD12      LEU  16  21.561   0.410  -3.817
  108   HD13  LEU  16          HD13      LEU  16  22.657   1.659  -4.409
  109   HD21  LEU  16          HD21      LEU  16  22.762   3.548  -1.199
  110   HD22  LEU  16          HD22      LEU  16  21.656   3.866  -2.535
  111   HD23  LEU  16          HD23      LEU  16  23.356   3.529  -2.858
  112    H    LYS  17           H        LYS  17  20.264   2.305   1.644
  113    HA   LYS  17           HA       LYS  17  21.990   4.567   1.868
  114    HB2  LYS  17           HB2      LYS  17  19.834   3.645   3.781
  115    HB3  LYS  17           HB3      LYS  17  20.527   5.265   3.680
  116    HG2  LYS  17           HG2      LYS  17  19.754   4.773   1.072
  117    HG3  LYS  17           HG3      LYS  17  18.467   4.014   2.010
  118    HD2  LYS  17           HD2      LYS  17  19.461   6.844   2.449
  119    HD3  LYS  17           HD3      LYS  17  18.021   6.426   1.521
  120    HE2  LYS  17           HE2      LYS  17  16.851   6.430   3.444
  121    HE3  LYS  17           HE3      LYS  17  17.792   5.033   3.967
  122    HZ1  LYS  17           HZ1      LYS  17  18.406   7.898   4.427
  123    HZ2  LYS  17           HZ2      LYS  17  19.516   6.647   4.725
  124    HZ3  LYS  17           HZ3      LYS  17  18.057   6.716   5.592
  125    H    GLU  18           H        GLU  18  21.611   1.595   3.710
  126    HA   GLU  18           HA       GLU  18  23.264   2.362   5.895
  127    HB2  GLU  18           HB2      GLU  18  21.789   0.512   6.224
  128    HB3  GLU  18           HB3      GLU  18  22.427  -0.334   4.814
  129    HG2  GLU  18           HG2      GLU  18  24.331   0.418   6.996
  130    HG3  GLU  18           HG3      GLU  18  23.251  -0.948   7.266
  131    H    LYS  19           H        LYS  19  23.877   0.907   2.758
  132    HA   LYS  19           HA       LYS  19  26.620   0.253   3.293
  133    HB2  LYS  19           HB2      LYS  19  25.494  -0.951   1.540
  134    HB3  LYS  19           HB3      LYS  19  25.051   0.548   0.723
  135    HG2  LYS  19           HG2      LYS  19  27.945   0.206   1.238
  136    HG3  LYS  19           HG3      LYS  19  27.250  -0.928   0.079
  137    HD2  LYS  19           HD2      LYS  19  26.596   1.997  -0.137
  138    HD3  LYS  19           HD3      LYS  19  28.133   1.400  -0.764
  139    HE2  LYS  19           HE2      LYS  19  25.500   0.102  -1.489
  140    HE3  LYS  19           HE3      LYS  19  26.165   1.449  -2.414
  141    HZ1  LYS  19           HZ1      LYS  19  26.780  -1.192  -2.738
  142    HZ2  LYS  19           HZ2      LYS  19  28.117  -0.569  -1.894
  143    HZ3  LYS  19           HZ3      LYS  19  27.645   0.121  -3.373
  144    H    LYS  20           H        LYS  20  24.930   2.943   1.723
  145    HA   LYS  20           HA       LYS  20  27.186   4.357   0.826
  146    HB2  LYS  20           HB2      LYS  20  24.347   4.860   1.153
  147    HB3  LYS  20           HB3      LYS  20  25.296   6.282   1.582
  148    HG2  LYS  20           HG2      LYS  20  26.558   5.996  -0.584
  149    HG3  LYS  20           HG3      LYS  20  25.404   4.734  -1.021
  150    HD2  LYS  20           HD2      LYS  20  23.771   6.231  -1.501
  151    HD3  LYS  20           HD3      LYS  20  24.134   7.215  -0.083
  152    HE2  LYS  20           HE2      LYS  20  25.948   7.190  -2.496
  153    HE3  LYS  20           HE3      LYS  20  24.569   8.283  -2.387
  154    HZ1  LYS  20           HZ1      LYS  20  26.912   8.131  -0.579
  155    HZ2  LYS  20           HZ2      LYS  20  25.499   8.986  -0.182
  156    HZ3  LYS  20           HZ3      LYS  20  26.419   9.442  -1.535
  157    H    GLU  21           H        GLU  21  25.644   4.138   3.972
  158    HA   GLU  21           HA       GLU  21  26.763   6.345   5.257
  159    HB2  GLU  21           HB2      GLU  21  26.076   3.592   6.299
  160    HB3  GLU  21           HB3      GLU  21  26.576   4.923   7.342
  161    HG2  GLU  21           HG2      GLU  21  24.415   5.503   5.382
  162    HG3  GLU  21           HG3      GLU  21  23.994   4.459   6.739
  163    H    VAL  22           H        VAL  22  28.097   3.068   4.853
  164    HA   VAL  22           HA       VAL  22  30.451   3.434   6.339
  165    HB   VAL  22           HB       VAL  22  31.093   1.380   5.537
  166   HG11  VAL  22          HG11      VAL  22  29.160   0.028   5.292
  167   HG12  VAL  22          HG12      VAL  22  28.261   1.316   4.491
  168   HG13  VAL  22          HG13      VAL  22  28.608   1.424   6.216
  169   HG21  VAL  22          HG21      VAL  22  30.362   0.670   3.134
  170   HG22  VAL  22          HG22      VAL  22  31.672   1.839   3.299
  171   HG23  VAL  22          HG23      VAL  22  30.046   2.388   2.895
  172    H    VAL  23           H        VAL  23  29.667   4.287   3.022
  173    HA   VAL  23           HA       VAL  23  32.245   4.742   2.036
  174    HB   VAL  23           HB       VAL  23  29.793   4.859   0.958
  175   HG11  VAL  23          HG11      VAL  23  28.990   7.007   0.583
  176   HG12  VAL  23          HG12      VAL  23  30.563   7.755   0.850
  177   HG13  VAL  23          HG13      VAL  23  29.619   7.176   2.221
  178   HG21  VAL  23          HG21      VAL  23  32.480   5.833   0.145
  179   HG22  VAL  23          HG22      VAL  23  31.129   6.340  -0.868
  180   HG23  VAL  23          HG23      VAL  23  31.444   4.624  -0.612
  181    H    GLU  24           H        GLU  24  30.403   6.557   4.326
  182    HA   GLU  24           HA       GLU  24  31.337   9.136   4.036
  183    HB2  GLU  24           HB2      GLU  24  30.840   7.529   6.542
  184    HB3  GLU  24           HB3      GLU  24  31.191   9.256   6.558
  185    HG2  GLU  24           HG2      GLU  24  29.035   8.251   4.741
  186    HG3  GLU  24           HG3      GLU  24  28.687   8.393   6.463
  187    H    GLU  25           H        GLU  25  32.987   6.338   5.402
  188    HA   GLU  25           HA       GLU  25  35.215   7.603   6.521
  189    HB2  GLU  25           HB2      GLU  25  34.445   5.043   6.377
  190    HB3  GLU  25           HB3      GLU  25  35.642   5.033   5.081
  191    HG2  GLU  25           HG2      GLU  25  37.110   6.324   6.865
  192    HG3  GLU  25           HG3      GLU  25  36.023   5.537   8.008
  193    H    ALA  26           H        ALA  26  34.221   7.400   3.285
  194    HA   ALA  26           HA       ALA  26  36.742   7.426   1.968
  195    HB1  ALA  26           HB1      ALA  26  34.254   8.750   0.903
  196    HB2  ALA  26           HB2      ALA  26  34.412   6.995   0.959
  197    HB3  ALA  26           HB3      ALA  26  35.545   7.952   0.005
  198    H    GLU  27           H        GLU  27  35.014   9.780   3.764
  199    HA   GLU  27           HA       GLU  27  35.967  12.153   2.549
  200    HB2  GLU  27           HB2      GLU  27  34.709  11.407   5.126
  201    HB3  GLU  27           HB3      GLU  27  35.656  12.896   5.130
  202    HG2  GLU  27           HG2      GLU  27  33.154  13.067   4.487
  203    HG3  GLU  27           HG3      GLU  27  34.322  13.890   3.458
  204    H    ASN  28           H        ASN  28  37.683   9.710   3.956
  205    HA   ASN  28           HA       ASN  28  40.022  11.431   4.299
  206    HB2  ASN  28           HB2      ASN  28  38.776  11.086   6.546
  207    HB3  ASN  28           HB3      ASN  28  39.392   9.437   6.459
  208   HD21  ASN  28          HD21      ASN  28  40.412  10.732   8.573
  209   HD22  ASN  28          HD22      ASN  28  41.987  11.298   8.288
  Start of MODEL   18
    1    H1   ACE   0           H1       ACE   0  32.343 -14.362  -3.052
    2    H2   ACE   0           H2       ACE   0  30.917 -13.808  -3.929
    3    H3   ACE   0           H3       ACE   0  30.736 -14.863  -2.529
    4    H    SER   1           H        SER   1  31.079 -11.625  -3.633
    5    HA   SER   1           HA       SER   1  30.401 -10.581  -1.022
    6    HB2  SER   1           HB2      SER   1  32.372  -8.955  -1.097
    7    HB3  SER   1           HB3      SER   1  32.743 -10.611  -0.633
    8    HG   SER   1           HG       SER   1  33.863 -10.839  -2.403
    9    H    ASP   2           H        ASP   2  32.184  -8.771  -3.431
   10    HA   ASP   2           HA       ASP   2  30.398  -6.696  -3.710
   11    HB2  ASP   2           HB2      ASP   2  32.092  -7.795  -5.962
   12    HB3  ASP   2           HB3      ASP   2  31.518  -6.138  -5.770
   13    H    ALA   3           H        ALA   3  30.365  -9.848  -5.237
   14    HA   ALA   3           HA       ALA   3  28.539  -9.437  -7.299
   15    HB1  ALA   3           HB1      ALA   3  28.653 -11.882  -5.522
   16    HB2  ALA   3           HB2      ALA   3  29.808 -11.557  -6.815
   17    HB3  ALA   3           HB3      ALA   3  28.104 -11.803  -7.197
   18    H    ALA   4           H        ALA   4  28.074  -9.559  -3.859
   19    HA   ALA   4           HA       ALA   4  25.407 -10.198  -3.574
   20    HB1  ALA   4           HB1      ALA   4  25.469  -9.069  -1.507
   21    HB2  ALA   4           HB2      ALA   4  26.633  -7.881  -2.091
   22    HB3  ALA   4           HB3      ALA   4  27.146  -9.541  -1.785
   23    H    VAL   5           H        VAL   5  26.817  -7.363  -4.991
   24    HA   VAL   5           HA       VAL   5  24.670  -5.574  -4.844
   25    HB   VAL   5           HB       VAL   5  26.981  -5.915  -6.728
   26   HG11  VAL   5          HG11      VAL   5  24.600  -4.078  -7.029
   27   HG12  VAL   5          HG12      VAL   5  25.313  -5.142  -8.240
   28   HG13  VAL   5          HG13      VAL   5  26.172  -3.691  -7.727
   29   HG21  VAL   5          HG21      VAL   5  26.319  -3.380  -5.323
   30   HG22  VAL   5          HG22      VAL   5  27.881  -4.168  -5.547
   31   HG23  VAL   5          HG23      VAL   5  26.775  -4.742  -4.300
   32    H    ASP   6           H        ASP   6  25.409  -8.193  -7.093
   33    HA   ASP   6           HA       ASP   6  23.387  -7.662  -8.985
   34    HB2  ASP   6           HB2      ASP   6  25.310  -9.666  -8.568
   35    HB3  ASP   6           HB3      ASP   6  23.759 -10.504  -8.536
   36    H    THR   7           H        THR   7  23.442  -9.390  -5.931
   37    HA   THR   7           HA       THR   7  20.822 -10.443  -5.989
   38    HB   THR   7           HB       THR   7  21.789  -9.625  -3.345
   39    HG1  THR   7           HG1      THR   7  23.795  -9.847  -4.213
   40   HG21  THR   7          HG21      THR   7  21.515 -12.423  -4.406
   41   HG22  THR   7          HG22      THR   7  20.078 -11.445  -4.110
   42   HG23  THR   7          HG23      THR   7  21.181 -11.816  -2.786
   43    H    SER   8           H        SER   8  22.153  -7.328  -4.979
   44    HA   SER   8           HA       SER   8  19.932  -6.268  -3.660
   45    HB2  SER   8           HB2      SER   8  22.089  -5.129  -3.689
   46    HB3  SER   8           HB3      SER   8  21.934  -4.834  -5.418
   47    HG   SER   8           HG       SER   8  20.514  -3.302  -5.037
   48    H    SER   9           H        SER   9  20.386  -6.900  -7.030
   49    HA   SER   9           HA       SER   9  18.713  -5.089  -8.271
   50    HB2  SER   9           HB2      SER   9  18.690  -8.020  -8.967
   51    HB3  SER   9           HB3      SER   9  18.503  -6.640 -10.044
   52    HG   SER   9           HG       SER   9  20.741  -6.133  -9.061
   53    H    GLU  10           H        GLU  10  17.877  -7.656  -6.092
   54    HA   GLU  10           HA       GLU  10  15.138  -7.919  -6.829
   55    HB2  GLU  10           HB2      GLU  10  16.449  -8.491  -4.163
   56    HB3  GLU  10           HB3      GLU  10  14.882  -9.091  -4.704
   57    HG2  GLU  10           HG2      GLU  10  15.905 -10.367  -6.481
   58    HG3  GLU  10           HG3      GLU  10  17.479  -9.640  -6.161
   59    H    ILE  11           H        ILE  11  16.838  -5.972  -4.417
   60    HA   ILE  11           HA       ILE  11  14.976  -3.855  -4.500
   61    HB   ILE  11           HB       ILE  11  13.452  -5.387  -3.391
   62   HG12  ILE  11          HG12      ILE  11  13.953  -3.982  -0.954
   63   HG13  ILE  11          HG13      ILE  11  14.388  -2.910  -2.287
   64   HG21  ILE  11          HG21      ILE  11  14.669  -5.764  -0.859
   65   HG22  ILE  11          HG22      ILE  11  15.871  -6.220  -2.066
   66   HG23  ILE  11          HG23      ILE  11  14.287  -6.996  -2.061
   67   HD11  ILE  11          HD11      ILE  11  12.189  -3.352  -3.342
   68   HD12  ILE  11          HD12      ILE  11  12.011  -2.646  -1.737
   69   HD13  ILE  11          HD13      ILE  11  11.750  -4.374  -1.973
   70    H    THR  12           H        THR  12  15.735  -4.483  -1.272
   71    HA   THR  12           HA       THR  12  17.203  -3.493   0.192
   72    HB   THR  12           HB       THR  12  19.618  -3.419  -0.643
   73    HG1  THR  12           HG1      THR  12  19.312  -5.066  -2.651
   74   HG21  THR  12          HG21      THR  12  17.863  -5.657  -0.081
   75   HG22  THR  12          HG22      THR  12  19.538  -5.404   0.410
   76   HG23  THR  12          HG23      THR  12  19.178  -6.144  -1.151
   77    H    THR  13           H        THR  13  15.591  -1.704  -1.193
   78    HA   THR  13           HA       THR  13  17.053   0.413  -2.412
   79    HB   THR  13           HB       THR  13  14.817   1.644  -1.488
   80    HG1  THR  13           HG1      THR  13  14.349  -0.462  -0.447
   81   HG21  THR  13          HG21      THR  13  13.871   1.179  -3.653
   82   HG22  THR  13          HG22      THR  13  14.828  -0.293  -3.813
   83   HG23  THR  13          HG23      THR  13  15.620   1.281  -3.854
   84    H    LYS  14           H        LYS  14  15.543   0.157   0.816
   85    HA   LYS  14           HA       LYS  14  16.810   2.532   1.789
   86    HB2  LYS  14           HB2      LYS  14  15.327   0.267   3.131
   87    HB3  LYS  14           HB3      LYS  14  16.032   1.601   4.044
   88    HG2  LYS  14           HG2      LYS  14  14.539   3.151   3.203
   89    HG3  LYS  14           HG3      LYS  14  14.321   2.277   1.687
   90    HD2  LYS  14           HD2      LYS  14  12.670   0.940   2.538
   91    HD3  LYS  14           HD3      LYS  14  13.412   0.869   4.137
   92    HE2  LYS  14           HE2      LYS  14  12.352   3.512   3.259
   93    HE3  LYS  14           HE3      LYS  14  11.167   2.270   3.664
   94    HZ1  LYS  14           HZ1      LYS  14  13.425   2.697   5.482
   95    HZ2  LYS  14           HZ2      LYS  14  11.840   2.193   5.826
   96    HZ3  LYS  14           HZ3      LYS  14  12.162   3.828   5.495
   97    H    ASP  15           H        ASP  15  17.586  -0.876   1.764
   98    HA   ASP  15           HA       ASP  15  19.609  -0.903   3.732
   99    HB2  ASP  15           HB2      ASP  15  18.610  -2.656   1.664
  100    HB3  ASP  15           HB3      ASP  15  20.370  -2.704   1.717
  101    H    LEU  16           H        LEU  16  19.568  -0.004   0.349
  102    HA   LEU  16           HA       LEU  16  22.290   0.106  -0.219
  103    HB2  LEU  16           HB2      LEU  16  19.897   0.964  -1.442
  104    HB3  LEU  16           HB3      LEU  16  20.921   2.396  -1.334
  105    HG   LEU  16           HG       LEU  16  21.447   1.288  -3.413
  106   HD11  LEU  16          HD11      LEU  16  23.314   1.892  -1.498
  107   HD12  LEU  16          HD12      LEU  16  23.703   1.438  -3.157
  108   HD13  LEU  16          HD13      LEU  16  23.732   0.222  -1.879
  109   HD21  LEU  16          HD21      LEU  16  20.574  -0.982  -2.337
  110   HD22  LEU  16          HD22      LEU  16  22.291  -1.219  -2.005
  111   HD23  LEU  16          HD23      LEU  16  21.736  -1.002  -3.664
  112    H    LYS  17           H        LYS  17  20.268   2.162   1.716
  113    HA   LYS  17           HA       LYS  17  21.979   4.424   1.866
  114    HB2  LYS  17           HB2      LYS  17  19.475   4.031   2.669
  115    HB3  LYS  17           HB3      LYS  17  20.280   3.681   4.199
  116    HG2  LYS  17           HG2      LYS  17  21.471   5.849   4.056
  117    HG3  LYS  17           HG3      LYS  17  20.621   6.204   2.553
  118    HD2  LYS  17           HD2      LYS  17  19.382   7.312   4.267
  119    HD3  LYS  17           HD3      LYS  17  18.451   5.869   3.862
  120    HE2  LYS  17           HE2      LYS  17  20.505   5.636   6.019
  121    HE3  LYS  17           HE3      LYS  17  19.009   6.490   6.396
  122    HZ1  LYS  17           HZ1      LYS  17  18.457   4.118   4.957
  123    HZ2  LYS  17           HZ2      LYS  17  17.927   4.580   6.504
  124    HZ3  LYS  17           HZ3      LYS  17  19.401   3.757   6.319
  125    H    GLU  18           H        GLU  18  21.621   1.556   3.907
  126    HA   GLU  18           HA       GLU  18  23.449   2.223   5.909
  127    HB2  GLU  18           HB2      GLU  18  22.779  -0.489   4.744
  128    HB3  GLU  18           HB3      GLU  18  23.685  -0.238   6.238
  129    HG2  GLU  18           HG2      GLU  18  21.002   1.069   5.865
  130    HG3  GLU  18           HG3      GLU  18  21.100  -0.616   6.375
  131    H    LYS  19           H        LYS  19  23.967   0.604   2.804
  132    HA   LYS  19           HA       LYS  19  26.788   0.276   3.167
  133    HB2  LYS  19           HB2      LYS  19  25.405   0.380   0.492
  134    HB3  LYS  19           HB3      LYS  19  26.816  -0.565   0.968
  135    HG2  LYS  19           HG2      LYS  19  25.389  -1.894   2.503
  136    HG3  LYS  19           HG3      LYS  19  23.982  -0.976   1.964
  137    HD2  LYS  19           HD2      LYS  19  24.212  -1.804  -0.288
  138    HD3  LYS  19           HD3      LYS  19  25.769  -2.543   0.086
  139    HE2  LYS  19           HE2      LYS  19  24.770  -4.406   0.863
  140    HE3  LYS  19           HE3      LYS  19  23.741  -3.461   1.941
  141    HZ1  LYS  19           HZ1      LYS  19  23.250  -4.189  -0.884
  142    HZ2  LYS  19           HZ2      LYS  19  22.392  -2.940  -0.116
  143    HZ3  LYS  19           HZ3      LYS  19  22.290  -4.531   0.471
  144    H    LYS  20           H        LYS  20  24.711   2.797   1.965
  145    HA   LYS  20           HA       LYS  20  26.722   4.278   0.576
  146    HB2  LYS  20           HB2      LYS  20  24.192   4.475   0.296
  147    HB3  LYS  20           HB3      LYS  20  24.203   5.417   1.787
  148    HG2  LYS  20           HG2      LYS  20  26.291   6.427   0.128
  149    HG3  LYS  20           HG3      LYS  20  24.842   6.289  -0.869
  150    HD2  LYS  20           HD2      LYS  20  24.941   7.646   1.841
  151    HD3  LYS  20           HD3      LYS  20  24.993   8.491   0.293
  152    HE2  LYS  20           HE2      LYS  20  22.784   6.562   0.513
  153    HE3  LYS  20           HE3      LYS  20  22.689   7.885   1.674
  154    HZ1  LYS  20           HZ1      LYS  20  22.880   8.079  -1.277
  155    HZ2  LYS  20           HZ2      LYS  20  23.098   9.411  -0.245
  156    HZ3  LYS  20           HZ3      LYS  20  21.607   8.597  -0.285
  157    H    GLU  21           H        GLU  21  25.638   4.097   3.897
  158    HA   GLU  21           HA       GLU  21  26.753   6.526   4.824
  159    HB2  GLU  21           HB2      GLU  21  25.644   4.080   6.005
  160    HB3  GLU  21           HB3      GLU  21  26.907   4.828   6.981
  161    HG2  GLU  21           HG2      GLU  21  24.491   6.281   5.864
  162    HG3  GLU  21           HG3      GLU  21  24.653   5.723   7.528
  163    H    VAL  22           H        VAL  22  28.110   3.323   4.287
  164    HA   VAL  22           HA       VAL  22  30.508   3.616   5.718
  165    HB   VAL  22           HB       VAL  22  31.315   1.756   4.506
  166   HG11  VAL  22          HG11      VAL  22  28.283   1.649   4.508
  167   HG12  VAL  22          HG12      VAL  22  29.342   1.216   5.850
  168   HG13  VAL  22          HG13      VAL  22  29.342   0.246   4.378
  169   HG21  VAL  22          HG21      VAL  22  29.675   1.259   2.349
  170   HG22  VAL  22          HG22      VAL  22  31.263   2.017   2.250
  171   HG23  VAL  22          HG23      VAL  22  29.813   3.017   2.311
  172    H    VAL  23           H        VAL  23  29.484   4.934   2.656
  173    HA   VAL  23           HA       VAL  23  31.923   5.495   1.438
  174    HB   VAL  23           HB       VAL  23  29.427   7.212   1.495
  175   HG11  VAL  23          HG11      VAL  23  30.714   8.690   0.371
  176   HG12  VAL  23          HG12      VAL  23  30.758   7.511  -0.939
  177   HG13  VAL  23          HG13      VAL  23  32.051   7.545   0.260
  178   HG21  VAL  23          HG21      VAL  23  28.523   5.629   0.168
  179   HG22  VAL  23          HG22      VAL  23  29.965   4.637   0.377
  180   HG23  VAL  23          HG23      VAL  23  29.872   5.788  -0.955
  181    H    GLU  24           H        GLU  24  30.646   6.694   4.377
  182    HA   GLU  24           HA       GLU  24  31.721   9.240   4.603
  183    HB2  GLU  24           HB2      GLU  24  31.277   7.014   6.565
  184    HB3  GLU  24           HB3      GLU  24  32.132   8.468   7.080
  185    HG2  GLU  24           HG2      GLU  24  29.740   9.106   5.538
  186    HG3  GLU  24           HG3      GLU  24  29.364   8.143   6.965
  187    H    GLU  25           H        GLU  25  33.273   6.094   4.858
  188    HA   GLU  25           HA       GLU  25  35.764   6.783   5.857
  189    HB2  GLU  25           HB2      GLU  25  34.640   4.596   4.290
  190    HB3  GLU  25           HB3      GLU  25  36.318   4.926   3.857
  191    HG2  GLU  25           HG2      GLU  25  35.284   4.475   6.671
  192    HG3  GLU  25           HG3      GLU  25  36.185   3.303   5.712
  193    H    ALA  26           H        ALA  26  34.265   7.692   2.927
  194    HA   ALA  26           HA       ALA  26  36.563   8.148   1.313
  195    HB1  ALA  26           HB1      ALA  26  33.862   9.518   1.251
  196    HB2  ALA  26           HB2      ALA  26  34.282   8.041   0.385
  197    HB3  ALA  26           HB3      ALA  26  35.069   9.562  -0.033
  198    H    GLU  27           H        GLU  27  35.035   9.918   3.894
  199    HA   GLU  27           HA       GLU  27  36.359  12.422   3.330
  200    HB2  GLU  27           HB2      GLU  27  34.771  11.395   5.686
  201    HB3  GLU  27           HB3      GLU  27  35.510  12.997   5.656
  202    HG2  GLU  27           HG2      GLU  27  34.161  12.693   3.184
  203    HG3  GLU  27           HG3      GLU  27  33.051  12.126   4.430
  204    H    ASN  28           H        ASN  28  37.488   9.524   4.405
  205    HA   ASN  28           HA       ASN  28  38.956   9.647   6.613
  206    HB2  ASN  28           HB2      ASN  28  40.855   8.561   5.395
  207    HB3  ASN  28           HB3      ASN  28  39.285   7.839   5.045
  208   HD21  ASN  28          HD21      ASN  28  38.820   7.597   2.856
  209   HD22  ASN  28          HD22      ASN  28  39.562   8.473   1.605
  Start of MODEL   19
    1    H1   ACE   0           H1       ACE   0  19.933 -20.772   8.817
    2    H2   ACE   0           H2       ACE   0  20.067 -19.705  10.216
    3    H3   ACE   0           H3       ACE   0  21.508 -20.482   9.557
    4    H    SER   1           H        SER   1  19.903 -17.622   9.704
    5    HA   SER   1           HA       SER   1  20.229 -15.610   8.645
    6    HB2  SER   1           HB2      SER   1  22.601 -16.521   8.387
    7    HB3  SER   1           HB3      SER   1  22.126 -17.009   6.763
    8    HG   SER   1           HG       SER   1  21.385 -14.713   6.602
    9    H    ASP   2           H        ASP   2  19.865 -18.448   6.597
   10    HA   ASP   2           HA       ASP   2  19.001 -17.322   4.228
   11    HB2  ASP   2           HB2      ASP   2  19.237 -19.649   4.200
   12    HB3  ASP   2           HB3      ASP   2  18.260 -19.863   5.651
   13    H    ALA   3           H        ALA   3  17.215 -17.792   7.228
   14    HA   ALA   3           HA       ALA   3  14.630 -17.204   6.307
   15    HB1  ALA   3           HB1      ALA   3  16.001 -16.980   8.967
   16    HB2  ALA   3           HB2      ALA   3  14.709 -18.073   8.469
   17    HB3  ALA   3           HB3      ALA   3  14.359 -16.370   8.764
   18    H    ALA   4           H        ALA   4  17.370 -15.170   6.706
   19    HA   ALA   4           HA       ALA   4  16.316 -12.698   7.329
   20    HB1  ALA   4           HB1      ALA   4  18.752 -13.317   6.879
   21    HB2  ALA   4           HB2      ALA   4  18.225 -11.735   6.309
   22    HB3  ALA   4           HB3      ALA   4  18.388 -13.071   5.171
   23    H    VAL   5           H        VAL   5  15.776 -14.575   4.498
   24    HA   VAL   5           HA       VAL   5  15.157 -12.609   2.611
   25    HB   VAL   5           HB       VAL   5  15.375 -15.090   2.193
   26   HG11  VAL   5          HG11      VAL   5  13.835 -15.675   4.130
   27   HG12  VAL   5          HG12      VAL   5  13.495 -16.520   2.620
   28   HG13  VAL   5          HG13      VAL   5  12.490 -15.157   3.113
   29   HG21  VAL   5          HG21      VAL   5  14.108 -13.216   0.758
   30   HG22  VAL   5          HG22      VAL   5  12.719 -14.242   1.114
   31   HG23  VAL   5          HG23      VAL   5  14.114 -14.909   0.265
   32    H    ASP   6           H        ASP   6  13.223 -14.075   5.180
   33    HA   ASP   6           HA       ASP   6  10.731 -12.959   4.475
   34    HB2  ASP   6           HB2      ASP   6  11.457 -14.678   6.380
   35    HB3  ASP   6           HB3      ASP   6  11.480 -13.211   7.356
   36    H    THR   7           H        THR   7  13.463 -11.767   6.331
   37    HA   THR   7           HA       THR   7  12.328  -9.355   7.257
   38    HB   THR   7           HB       THR   7  15.105  -8.978   6.697
   39    HG1  THR   7           HG1      THR   7  14.741 -11.339   8.136
   40   HG21  THR   7          HG21      THR   7  13.524  -9.642   9.191
   41   HG22  THR   7          HG22      THR   7  14.010  -8.042   8.631
   42   HG23  THR   7          HG23      THR   7  15.226  -9.182   9.208
   43    H    SER   8           H        SER   8  13.898 -10.287   4.238
   44    HA   SER   8           HA       SER   8  14.442  -7.909   3.016
   45    HB2  SER   8           HB2      SER   8  12.921 -10.145   1.660
   46    HB3  SER   8           HB3      SER   8  13.967  -8.955   0.892
   47    HG   SER   8           HG       SER   8  15.641 -10.088   1.473
   48    H    SER   9           H        SER   9  11.342  -9.081   3.985
   49    HA   SER   9           HA       SER   9   9.614  -7.647   2.334
   50    HB2  SER   9           HB2      SER   9   8.061  -7.685   4.328
   51    HB3  SER   9           HB3      SER   9   8.710  -9.254   3.861
   52    HG   SER   9           HG       SER   9   8.825  -8.240   6.207
   53    H    GLU  10           H        GLU  10  11.511  -6.605   5.103
   54    HA   GLU  10           HA       GLU  10  10.304  -4.113   5.576
   55    HB2  GLU  10           HB2      GLU  10  12.030  -5.257   7.020
   56    HB3  GLU  10           HB3      GLU  10  13.250  -4.740   5.855
   57    HG2  GLU  10           HG2      GLU  10  13.069  -2.519   6.438
   58    HG3  GLU  10           HG3      GLU  10  11.369  -2.663   6.882
   59    H    ILE  11           H        ILE  11  12.133  -5.237   2.936
   60    HA   ILE  11           HA       ILE  11  12.357  -4.128   0.881
   61    HB   ILE  11           HB       ILE  11  10.960  -2.191   2.084
   62   HG12  ILE  11          HG12      ILE  11  11.607  -0.765   0.024
   63   HG13  ILE  11          HG13      ILE  11  12.690  -2.095  -0.388
   64   HG21  ILE  11          HG21      ILE  11  13.335  -1.511   3.126
   65   HG22  ILE  11          HG22      ILE  11  12.161  -0.288   2.644
   66   HG23  ILE  11          HG23      ILE  11  13.502  -0.693   1.573
   67   HD11  ILE  11          HD11      ILE  11   9.814  -2.669   0.276
   68   HD12  ILE  11          HD12      ILE  11  10.931  -3.600  -0.722
   69   HD13  ILE  11          HD13      ILE  11  10.245  -2.095  -1.336
   70    H    THR  12           H        THR  12  14.223  -3.459  -0.194
   71    HA   THR  12           HA       THR  12  16.611  -3.358   1.534
   72    HB   THR  12           HB       THR  12  16.960  -5.169   0.137
   73    HG1  THR  12           HG1      THR  12  17.827  -2.916  -1.350
   74   HG21  THR  12          HG21      THR  12  16.281  -5.097  -2.310
   75   HG22  THR  12          HG22      THR  12  15.452  -3.583  -1.951
   76   HG23  THR  12          HG23      THR  12  14.946  -5.075  -1.159
   77    H    THR  13           H        THR  13  14.641  -1.221   0.223
   78    HA   THR  13           HA       THR  13  16.324   0.400  -1.402
   79    HB   THR  13           HB       THR  13  13.964   1.327   0.243
   80    HG1  THR  13           HG1      THR  13  14.012   0.249  -2.378
   81   HG21  THR  13          HG21      THR  13  14.859   3.248  -0.673
   82   HG22  THR  13          HG22      THR  13  13.841   2.730  -2.016
   83   HG23  THR  13          HG23      THR  13  15.571   2.389  -2.039
   84    H    LYS  14           H        LYS  14  15.234   0.817   1.977
   85    HA   LYS  14           HA       LYS  14  17.027   2.956   2.511
   86    HB2  LYS  14           HB2      LYS  14  15.152   1.280   4.062
   87    HB3  LYS  14           HB3      LYS  14  16.514   1.923   4.979
   88    HG2  LYS  14           HG2      LYS  14  14.926   3.713   3.149
   89    HG3  LYS  14           HG3      LYS  14  14.362   3.378   4.786
   90    HD2  LYS  14           HD2      LYS  14  16.433   4.231   5.729
   91    HD3  LYS  14           HD3      LYS  14  17.120   4.444   4.120
   92    HE2  LYS  14           HE2      LYS  14  16.114   6.443   3.876
   93    HE3  LYS  14           HE3      LYS  14  14.547   5.769   4.322
   94    HZ1  LYS  14           HZ1      LYS  14  14.719   6.702   6.307
   95    HZ2  LYS  14           HZ2      LYS  14  16.184   7.426   5.840
   96    HZ3  LYS  14           HZ3      LYS  14  16.189   5.908   6.603
   97    H    ASP  15           H        ASP  15  17.231  -0.536   2.810
   98    HA   ASP  15           HA       ASP  15  19.562  -0.699   4.389
   99    HB2  ASP  15           HB2      ASP  15  17.859  -2.493   3.117
  100    HB3  ASP  15           HB3      ASP  15  19.416  -2.746   2.333
  101    H    LEU  16           H        LEU  16  19.021  -0.163   0.967
  102    HA   LEU  16           HA       LEU  16  21.588  -0.569  -0.046
  103    HB2  LEU  16           HB2      LEU  16  19.159   0.600  -0.948
  104    HB3  LEU  16           HB3      LEU  16  20.432   1.786  -1.229
  105    HG   LEU  16           HG       LEU  16  20.676  -1.122  -2.040
  106   HD11  LEU  16          HD11      LEU  16  18.776   0.063  -3.196
  107   HD12  LEU  16          HD12      LEU  16  20.065  -0.449  -4.285
  108   HD13  LEU  16          HD13      LEU  16  19.944   1.240  -3.795
  109   HD21  LEU  16          HD21      LEU  16  22.353   1.314  -2.201
  110   HD22  LEU  16          HD22      LEU  16  22.268   0.367  -3.687
  111   HD23  LEU  16          HD23      LEU  16  22.833  -0.384  -2.195
  112    H    LYS  17           H        LYS  17  20.219   1.936   1.906
  113    HA   LYS  17           HA       LYS  17  22.058   4.011   1.576
  114    HB2  LYS  17           HB2      LYS  17  19.913   4.062   2.925
  115    HB3  LYS  17           HB3      LYS  17  20.799   3.240   4.211
  116    HG2  LYS  17           HG2      LYS  17  22.526   5.269   3.568
  117    HG3  LYS  17           HG3      LYS  17  20.961   6.043   3.314
  118    HD2  LYS  17           HD2      LYS  17  20.248   5.371   5.574
  119    HD3  LYS  17           HD3      LYS  17  21.803   4.577   5.832
  120    HE2  LYS  17           HE2      LYS  17  22.676   6.532   6.517
  121    HE3  LYS  17           HE3      LYS  17  22.339   7.227   4.932
  122    HZ1  LYS  17           HZ1      LYS  17  21.114   7.834   7.350
  123    HZ2  LYS  17           HZ2      LYS  17  19.947   7.043   6.403
  124    HZ3  LYS  17           HZ3      LYS  17  20.727   8.433   5.812
  125    H    GLU  18           H        GLU  18  22.292   1.010   3.375
  126    HA   GLU  18           HA       GLU  18  24.464   1.565   5.032
  127    HB2  GLU  18           HB2      GLU  18  23.502  -0.943   3.680
  128    HB3  GLU  18           HB3      GLU  18  24.994  -0.951   4.622
  129    HG2  GLU  18           HG2      GLU  18  23.866  -0.911   6.573
  130    HG3  GLU  18           HG3      GLU  18  22.847   0.422   6.030
  131    H    LYS  19           H        LYS  19  24.346   0.691   1.621
  132    HA   LYS  19           HA       LYS  19  27.153   0.404   1.257
  133    HB2  LYS  19           HB2      LYS  19  25.454  -0.476  -0.335
  134    HB3  LYS  19           HB3      LYS  19  25.054   1.183  -0.785
  135    HG2  LYS  19           HG2      LYS  19  27.677   1.351  -1.171
  136    HG3  LYS  19           HG3      LYS  19  27.528  -0.396  -1.373
  137    HD2  LYS  19           HD2      LYS  19  25.600   0.113  -2.988
  138    HD3  LYS  19           HD3      LYS  19  26.167   1.783  -2.962
  139    HE2  LYS  19           HE2      LYS  19  28.479   0.232  -3.345
  140    HE3  LYS  19           HE3      LYS  19  27.259  -0.491  -4.392
  141    HZ1  LYS  19           HZ1      LYS  19  27.944   2.397  -4.300
  142    HZ2  LYS  19           HZ2      LYS  19  26.811   1.670  -5.336
  143    HZ3  LYS  19           HZ3      LYS  19  28.462   1.306  -5.491
  144    H    LYS  20           H        LYS  20  24.926   3.115   1.193
  145    HA   LYS  20           HA       LYS  20  26.760   5.010   0.077
  146    HB2  LYS  20           HB2      LYS  20  24.054   5.036   1.232
  147    HB3  LYS  20           HB3      LYS  20  24.985   6.496   1.564
  148    HG2  LYS  20           HG2      LYS  20  23.871   6.883  -0.517
  149    HG3  LYS  20           HG3      LYS  20  25.553   6.546  -0.924
  150    HD2  LYS  20           HD2      LYS  20  24.893   4.824  -2.210
  151    HD3  LYS  20           HD3      LYS  20  24.176   4.049  -0.799
  152    HE2  LYS  20           HE2      LYS  20  22.407   4.322  -2.398
  153    HE3  LYS  20           HE3      LYS  20  22.149   5.538  -1.147
  154    HZ1  LYS  20           HZ1      LYS  20  22.549   7.197  -2.567
  155    HZ2  LYS  20           HZ2      LYS  20  22.265   6.049  -3.786
  156    HZ3  LYS  20           HZ3      LYS  20  23.855   6.404  -3.303
  157    H    GLU  21           H        GLU  21  25.893   3.932   3.306
  158    HA   GLU  21           HA       GLU  21  27.160   5.867   4.860
  159    HB2  GLU  21           HB2      GLU  21  26.702   2.915   5.286
  160    HB3  GLU  21           HB3      GLU  21  27.457   3.933   6.513
  161    HG2  GLU  21           HG2      GLU  21  25.476   5.441   6.434
  162    HG3  GLU  21           HG3      GLU  21  24.713   4.337   5.290
  163    H    VAL  22           H        VAL  22  28.465   3.105   3.117
  164    HA   VAL  22           HA       VAL  22  31.015   2.992   4.259
  165    HB   VAL  22           HB       VAL  22  29.669   1.832   2.034
  166   HG11  VAL  22          HG11      VAL  22  31.462   1.763   0.359
  167   HG12  VAL  22          HG12      VAL  22  32.441   2.855   1.340
  168   HG13  VAL  22          HG13      VAL  22  30.937   3.427   0.617
  169   HG21  VAL  22          HG21      VAL  22  32.442   1.202   3.067
  170   HG22  VAL  22          HG22      VAL  22  31.279   0.086   2.354
  171   HG23  VAL  22          HG23      VAL  22  30.974   0.778   3.948
  172    H    VAL  23           H        VAL  23  29.676   5.136   1.813
  173    HA   VAL  23           HA       VAL  23  32.059   6.283   0.871
  174    HB   VAL  23           HB       VAL  23  29.391   7.666   1.220
  175   HG11  VAL  23          HG11      VAL  23  30.697   9.378   0.456
  176   HG12  VAL  23          HG12      VAL  23  30.481   8.576  -1.098
  177   HG13  VAL  23          HG13      VAL  23  31.943   8.290  -0.155
  178   HG21  VAL  23          HG21      VAL  23  30.345   6.217  -1.251
  179   HG22  VAL  23          HG22      VAL  23  28.709   6.729  -0.840
  180   HG23  VAL  23          HG23      VAL  23  29.447   5.372   0.009
  181    H    GLU  24           H        GLU  24  30.464   6.582   3.910
  182    HA   GLU  24           HA       GLU  24  31.226   9.128   4.753
  183    HB2  GLU  24           HB2      GLU  24  30.933   6.540   6.279
  184    HB3  GLU  24           HB3      GLU  24  31.250   8.087   7.064
  185    HG2  GLU  24           HG2      GLU  24  29.190   9.004   6.363
  186    HG3  GLU  24           HG3      GLU  24  28.962   7.767   5.126
  187    H    GLU  25           H        GLU  25  33.047   6.117   4.651
  188    HA   GLU  25           HA       GLU  25  35.301   6.907   6.121
  189    HB2  GLU  25           HB2      GLU  25  35.194   5.051   3.727
  190    HB3  GLU  25           HB3      GLU  25  36.484   5.124   4.930
  191    HG2  GLU  25           HG2      GLU  25  33.588   4.497   5.569
  192    HG3  GLU  25           HG3      GLU  25  34.846   3.280   5.360
  193    H    ALA  26           H        ALA  26  34.097   8.010   3.157
  194    HA   ALA  26           HA       ALA  26  36.405   8.657   1.711
  195    HB1  ALA  26           HB1      ALA  26  35.019  10.390   0.635
  196    HB2  ALA  26           HB2      ALA  26  33.798  10.187   1.891
  197    HB3  ALA  26           HB3      ALA  26  34.146   8.864   0.778
  198    H    GLU  27           H        GLU  27  34.951  10.163   4.509
  199    HA   GLU  27           HA       GLU  27  36.402  12.625   4.350
  200    HB2  GLU  27           HB2      GLU  27  34.380  11.493   6.009
  201    HB3  GLU  27           HB3      GLU  27  35.707  12.003   7.054
  202    HG2  GLU  27           HG2      GLU  27  34.109  13.846   6.702
  203    HG3  GLU  27           HG3      GLU  27  35.681  14.234   6.005
  204    H    ASN  28           H        ASN  28  37.010   9.463   5.714
  205    HA   ASN  28           HA       ASN  28  38.813   8.570   6.828
  206    HB2  ASN  28           HB2      ASN  28  39.767   9.251   4.561
  207    HB3  ASN  28           HB3      ASN  28  40.434  10.663   5.379
  208   HD21  ASN  28          HD21      ASN  28  42.660   9.928   5.129
  209   HD22  ASN  28          HD22      ASN  28  43.258   8.601   6.002
  Start of MODEL   20
    1    H1   ACE   0           H1       ACE   0  -3.473   1.460  11.191
    2    H2   ACE   0           H2       ACE   0  -2.427   0.879   9.897
    3    H3   ACE   0           H3       ACE   0  -2.571   2.609  10.203
    4    H    SER   1           H        SER   1  -1.231  -0.423  11.360
    5    HA   SER   1           HA       SER   1   0.958   0.970  12.632
    6    HB2  SER   1           HB2      SER   1  -0.443   1.143  14.518
    7    HB3  SER   1           HB3      SER   1  -1.148  -0.449  14.250
    8    HG   SER   1           HG       SER   1   1.603  -0.358  14.581
    9    H    ASP   2           H        ASP   2  -0.177  -2.140  13.747
   10    HA   ASP   2           HA       ASP   2   2.183  -3.510  13.307
   11    HB2  ASP   2           HB2      ASP   2   0.121  -5.398  12.948
   12    HB3  ASP   2           HB3      ASP   2   0.981  -5.018  14.438
   13    H    ALA   3           H        ALA   3  -0.478  -2.918  11.090
   14    HA   ALA   3           HA       ALA   3   0.208  -4.744   9.069
   15    HB1  ALA   3           HB1      ALA   3  -1.321  -2.178   9.173
   16    HB2  ALA   3           HB2      ALA   3  -1.864  -3.791   8.711
   17    HB3  ALA   3           HB3      ALA   3  -0.885  -2.836   7.596
   18    H    ALA   4           H        ALA   4   1.775  -1.881  10.123
   19    HA   ALA   4           HA       ALA   4   2.982  -0.801   7.918
   20    HB1  ALA   4           HB1      ALA   4   5.029  -0.515   9.457
   21    HB2  ALA   4           HB2      ALA   4   4.064  -1.342  10.679
   22    HB3  ALA   4           HB3      ALA   4   3.503   0.184   9.999
   23    H    VAL   5           H        VAL   5   3.549  -3.919   9.353
   24    HA   VAL   5           HA       VAL   5   5.992  -4.700   8.463
   25    HB   VAL   5           HB       VAL   5   4.565  -6.220   9.709
   26   HG11  VAL   5          HG11      VAL   5   2.730  -7.401   8.270
   27   HG12  VAL   5          HG12      VAL   5   2.815  -5.948   7.277
   28   HG13  VAL   5          HG13      VAL   5   2.373  -5.826   8.980
   29   HG21  VAL   5          HG21      VAL   5   6.166  -6.912   7.551
   30   HG22  VAL   5          HG22      VAL   5   4.682  -7.815   7.253
   31   HG23  VAL   5          HG23      VAL   5   5.555  -8.030   8.770
   32    H    ASP   6           H        ASP   6   3.097  -4.133   6.561
   33    HA   ASP   6           HA       ASP   6   3.917  -5.342   4.154
   34    HB2  ASP   6           HB2      ASP   6   1.953  -3.287   4.954
   35    HB3  ASP   6           HB3      ASP   6   2.532  -3.147   3.294
   36    H    THR   7           H        THR   7   4.549  -2.199   5.594
   37    HA   THR   7           HA       THR   7   5.987  -1.054   3.442
   38    HB   THR   7           HB       THR   7   6.144  -0.567   6.428
   39    HG1  THR   7           HG1      THR   7   4.568   0.760   6.052
   40   HG21  THR   7          HG21      THR   7   7.332   1.511   5.825
   41   HG22  THR   7          HG22      THR   7   7.340   1.011   4.133
   42   HG23  THR   7          HG23      THR   7   8.248   0.088   5.331
   43    H    SER   8           H        SER   8   6.851  -3.168   6.123
   44    HA   SER   8           HA       SER   8   9.649  -3.063   5.919
   45    HB2  SER   8           HB2      SER   8   9.677  -4.989   7.255
   46    HB3  SER   8           HB3      SER   8   8.141  -4.235   7.670
   47    HG   SER   8           HG       SER   8   7.801  -6.408   7.230
   48    H    SER   9           H        SER   9   7.328  -4.413   3.780
   49    HA   SER   9           HA       SER   9   8.864  -6.472   2.599
   50    HB2  SER   9           HB2      SER   9   7.167  -6.625   1.041
   51    HB3  SER   9           HB3      SER   9   6.322  -5.801   2.348
   52    HG   SER   9           HG       SER   9   7.710  -4.402   0.318
   53    H    GLU  10           H        GLU  10   8.811  -3.001   2.134
   54    HA   GLU  10           HA       GLU  10  10.188  -2.958  -0.360
   55    HB2  GLU  10           HB2      GLU  10   8.857  -1.081   0.942
   56    HB3  GLU  10           HB3      GLU  10  10.454  -0.720   1.601
   57    HG2  GLU  10           HG2      GLU  10  11.323  -0.673  -0.772
   58    HG3  GLU  10           HG3      GLU  10   9.650  -0.783  -1.318
   59    H    ILE  11           H        ILE  11  11.211  -3.027   2.992
   60    HA   ILE  11           HA       ILE  11  13.657  -2.257   3.335
   61    HB   ILE  11           HB       ILE  11  12.481  -4.002   4.721
   62   HG12  ILE  11          HG12      ILE  11  15.081  -5.191   4.745
   63   HG13  ILE  11          HG13      ILE  11  15.275  -3.480   4.358
   64   HG21  ILE  11          HG21      ILE  11  14.005  -6.145   3.371
   65   HG22  ILE  11          HG22      ILE  11  12.624  -5.530   2.463
   66   HG23  ILE  11          HG23      ILE  11  12.392  -6.186   4.084
   67   HD11  ILE  11          HD11      ILE  11  15.291  -3.553   6.729
   68   HD12  ILE  11          HD12      ILE  11  13.960  -4.710   6.782
   69   HD13  ILE  11          HD13      ILE  11  13.657  -3.037   6.314
   70    H    THR  12           H        THR  12  14.466  -1.747   1.189
   71    HA   THR  12           HA       THR  12  16.463  -3.644   0.353
   72    HB   THR  12           HB       THR  12  14.226  -4.230  -0.874
   73    HG1  THR  12           HG1      THR  12  16.408  -4.926  -1.376
   74   HG21  THR  12          HG21      THR  12  13.826  -2.934  -2.890
   75   HG22  THR  12          HG22      THR  12  15.203  -1.892  -2.537
   76   HG23  THR  12          HG23      THR  12  13.775  -1.847  -1.503
   77    H    THR  13           H        THR  13  14.686  -0.731  -0.612
   78    HA   THR  13           HA       THR  13  17.008   0.481  -1.804
   79    HB   THR  13           HB       THR  13  14.182   1.276  -1.272
   80    HG1  THR  13           HG1      THR  13  15.589   2.068  -3.509
   81   HG21  THR  13          HG21      THR  13  14.801   3.638  -1.981
   82   HG22  THR  13          HG22      THR  13  16.475   3.220  -1.614
   83   HG23  THR  13          HG23      THR  13  15.259   3.198  -0.336
   84    H    LYS  14           H        LYS  14  15.508   0.323   1.307
   85    HA   LYS  14           HA       LYS  14  16.894   2.551   2.476
   86    HB2  LYS  14           HB2      LYS  14  14.774   0.873   3.214
   87    HB3  LYS  14           HB3      LYS  14  16.058   0.516   4.369
   88    HG2  LYS  14           HG2      LYS  14  16.230   2.821   5.017
   89    HG3  LYS  14           HG3      LYS  14  15.189   3.334   3.689
   90    HD2  LYS  14           HD2      LYS  14  13.264   2.639   4.745
   91    HD3  LYS  14           HD3      LYS  14  14.079   1.321   5.588
   92    HE2  LYS  14           HE2      LYS  14  14.511   4.246   6.248
   93    HE3  LYS  14           HE3      LYS  14  13.352   3.216   7.089
   94    HZ1  LYS  14           HZ1      LYS  14  16.006   3.481   7.682
   95    HZ2  LYS  14           HZ2      LYS  14  15.920   1.991   6.871
   96    HZ3  LYS  14           HZ3      LYS  14  14.968   2.266   8.251
   97    H    ASP  15           H        ASP  15  17.307  -0.956   2.386
   98    HA   ASP  15           HA       ASP  15  19.507  -1.185   4.119
   99    HB2  ASP  15           HB2      ASP  15  18.282  -2.793   1.975
  100    HB3  ASP  15           HB3      ASP  15  20.005  -3.080   2.210
  101    H    LEU  16           H        LEU  16  19.210  -0.363   0.733
  102    HA   LEU  16           HA       LEU  16  21.868  -0.414  -0.085
  103    HB2  LEU  16           HB2      LEU  16  19.564   0.227  -1.291
  104    HB3  LEU  16           HB3      LEU  16  20.152   1.857  -0.974
  105    HG   LEU  16           HG       LEU  16  22.407   0.552  -1.941
  106   HD11  LEU  16          HD11      LEU  16  21.814  -0.780  -3.780
  107   HD12  LEU  16          HD12      LEU  16  20.166  -0.155  -3.825
  108   HD13  LEU  16          HD13      LEU  16  20.648  -1.282  -2.557
  109   HD21  LEU  16          HD21      LEU  16  20.314   2.301  -3.248
  110   HD22  LEU  16          HD22      LEU  16  21.801   1.843  -4.076
  111   HD23  LEU  16          HD23      LEU  16  21.876   2.785  -2.587
  112    H    LYS  17           H        LYS  17  20.132   1.837   1.916
  113    HA   LYS  17           HA       LYS  17  21.837   4.061   1.806
  114    HB2  LYS  17           HB2      LYS  17  19.532   3.829   2.926
  115    HB3  LYS  17           HB3      LYS  17  20.412   3.180   4.310
  116    HG2  LYS  17           HG2      LYS  17  21.131   5.228   4.931
  117    HG3  LYS  17           HG3      LYS  17  21.639   5.627   3.291
  118    HD2  LYS  17           HD2      LYS  17  18.716   5.599   4.019
  119    HD3  LYS  17           HD3      LYS  17  19.713   7.016   4.354
  120    HE2  LYS  17           HE2      LYS  17  20.083   7.459   2.105
  121    HE3  LYS  17           HE3      LYS  17  19.829   5.781   1.627
  122    HZ1  LYS  17           HZ1      LYS  17  17.917   6.879   0.927
  123    HZ2  LYS  17           HZ2      LYS  17  17.811   7.819   2.338
  124    HZ3  LYS  17           HZ3      LYS  17  17.444   6.162   2.390
  125    H    GLU  18           H        GLU  18  22.021   1.094   3.688
  126    HA   GLU  18           HA       GLU  18  24.023   1.826   5.504
  127    HB2  GLU  18           HB2      GLU  18  22.811  -0.648   4.557
  128    HB3  GLU  18           HB3      GLU  18  24.523  -0.847   4.922
  129    HG2  GLU  18           HG2      GLU  18  23.189  -1.266   6.932
  130    HG3  GLU  18           HG3      GLU  18  24.151   0.196   7.143
  131    H    LYS  19           H        LYS  19  24.254   0.552   2.212
  132    HA   LYS  19           HA       LYS  19  27.089   0.310   2.176
  133    HB2  LYS  19           HB2      LYS  19  24.894   0.251   0.173
  134    HB3  LYS  19           HB3      LYS  19  26.512   0.612  -0.430
  135    HG2  LYS  19           HG2      LYS  19  27.380  -1.421   0.666
  136    HG3  LYS  19           HG3      LYS  19  25.762  -1.786   1.268
  137    HD2  LYS  19           HD2      LYS  19  25.811  -3.074  -0.669
  138    HD3  LYS  19           HD3      LYS  19  25.099  -1.579  -1.278
  139    HE2  LYS  19           HE2      LYS  19  26.950  -2.414  -2.729
  140    HE3  LYS  19           HE3      LYS  19  27.280  -0.813  -2.064
  141    HZ1  LYS  19           HZ1      LYS  19  28.237  -3.345  -0.847
  142    HZ2  LYS  19           HZ2      LYS  19  28.665  -1.764  -0.394
  143    HZ3  LYS  19           HZ3      LYS  19  29.166  -2.388  -1.893
  144    H    LYS  20           H        LYS  20  24.855   2.861   1.129
  145    HA   LYS  20           HA       LYS  20  26.801   4.596   0.045
  146    HB2  LYS  20           HB2      LYS  20  24.068   4.617   0.220
  147    HB3  LYS  20           HB3      LYS  20  24.510   5.893   1.354
  148    HG2  LYS  20           HG2      LYS  20  24.393   7.042  -0.692
  149    HG3  LYS  20           HG3      LYS  20  26.116   6.694  -0.537
  150    HD2  LYS  20           HD2      LYS  20  25.014   4.414  -1.762
  151    HD3  LYS  20           HD3      LYS  20  24.244   5.785  -2.561
  152    HE2  LYS  20           HE2      LYS  20  27.236   5.544  -2.142
  153    HE3  LYS  20           HE3      LYS  20  26.410   5.073  -3.627
  154    HZ1  LYS  20           HZ1      LYS  20  25.457   7.567  -3.114
  155    HZ2  LYS  20           HZ2      LYS  20  26.670   7.180  -4.239
  156    HZ3  LYS  20           HZ3      LYS  20  27.091   7.685  -2.672
  157    H    GLU  21           H        GLU  21  25.725   3.967   3.306
  158    HA   GLU  21           HA       GLU  21  26.694   6.261   4.599
  159    HB2  GLU  21           HB2      GLU  21  25.817   3.582   5.359
  160    HB3  GLU  21           HB3      GLU  21  27.108   4.187   6.397
  161    HG2  GLU  21           HG2      GLU  21  25.862   6.090   7.037
  162    HG3  GLU  21           HG3      GLU  21  24.736   5.909   5.693
  163    H    VAL  22           H        VAL  22  28.316   3.315   3.542
  164    HA   VAL  22           HA       VAL  22  30.730   3.589   4.926
  165    HB   VAL  22           HB       VAL  22  30.122   2.422   2.206
  166   HG11  VAL  22          HG11      VAL  22  32.685   2.927   3.571
  167   HG12  VAL  22          HG12      VAL  22  32.367   2.553   1.877
  168   HG13  VAL  22          HG13      VAL  22  32.456   1.253   3.064
  169   HG21  VAL  22          HG21      VAL  22  29.735   1.558   4.906
  170   HG22  VAL  22          HG22      VAL  22  30.999   0.556   4.195
  171   HG23  VAL  22          HG23      VAL  22  29.417   0.660   3.422
  172    H    VAL  23           H        VAL  23  29.484   5.322   2.173
  173    HA   VAL  23           HA       VAL  23  31.826   6.320   1.039
  174    HB   VAL  23           HB       VAL  23  29.130   7.653   1.371
  175   HG11  VAL  23          HG11      VAL  23  31.675   8.557   0.168
  176   HG12  VAL  23          HG12      VAL  23  30.286   9.502   0.708
  177   HG13  VAL  23          HG13      VAL  23  30.263   8.724  -0.875
  178   HG21  VAL  23          HG21      VAL  23  28.621   6.767  -0.769
  179   HG22  VAL  23          HG22      VAL  23  29.403   5.431   0.075
  180   HG23  VAL  23          HG23      VAL  23  30.310   6.381  -1.103
  181    H    GLU  24           H        GLU  24  30.145   7.279   3.972
  182    HA   GLU  24           HA       GLU  24  31.314   9.751   4.477
  183    HB2  GLU  24           HB2      GLU  24  29.968   7.697   6.016
  184    HB3  GLU  24           HB3      GLU  24  31.263   8.440   6.952
  185    HG2  GLU  24           HG2      GLU  24  30.359  10.655   6.547
  186    HG3  GLU  24           HG3      GLU  24  29.144  10.000   5.449
  187    H    GLU  25           H        GLU  25  32.578   6.500   4.932
  188    HA   GLU  25           HA       GLU  25  34.872   7.044   6.408
  189    HB2  GLU  25           HB2      GLU  25  34.417   5.019   4.206
  190    HB3  GLU  25           HB3      GLU  25  35.834   5.030   5.255
  191    HG2  GLU  25           HG2      GLU  25  34.422   4.760   7.228
  192    HG3  GLU  25           HG3      GLU  25  32.969   4.853   6.233
  193    H    ALA  26           H        ALA  26  34.011   7.999   3.255
  194    HA   ALA  26           HA       ALA  26  36.430   8.163   1.901
  195    HB1  ALA  26           HB1      ALA  26  34.370   8.716   0.779
  196    HB2  ALA  26           HB2      ALA  26  35.411  10.138   0.732
  197    HB3  ALA  26           HB3      ALA  26  34.075  10.060   1.882
  198    H    GLU  27           H        GLU  27  35.139  10.213   4.441
  199    HA   GLU  27           HA       GLU  27  36.739  12.446   4.304
  200    HB2  GLU  27           HB2      GLU  27  34.956  12.103   5.987
  201    HB3  GLU  27           HB3      GLU  27  35.992  10.949   6.829
  202    HG2  GLU  27           HG2      GLU  27  37.450  12.586   7.573
  203    HG3  GLU  27           HG3      GLU  27  37.095  13.662   6.223
  204    H    ASN  28           H        ASN  28  37.682   9.199   4.939
  205    HA   ASN  28           HA       ASN  28  40.436  10.122   5.483
  206    HB2  ASN  28           HB2      ASN  28  40.518   7.815   6.780
  207    HB3  ASN  28           HB3      ASN  28  39.955   9.285   7.574
  208   HD21  ASN  28          HD21      ASN  28  37.831   9.268   8.384
  209   HD22  ASN  28          HD22      ASN  28  36.700   8.042   8.068