*HEADER    HORMONE                                 09-APR-97   1HTH      
*TITLE     THE SOLUTION STRUCTURE OF CYCLIC HUMAN PARATHYROID HORMONE    
*TITLE    2 FRAGMENT 1 - 34, NMR, 10 STRUCTURES                          
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CYCLIC PARATHYROID HORMONE;                        
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: RESIDUES 1 - 34;                                   
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: M8NLE, K13ORN, S17E, M18NLE                        
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN                                       
*KEYWDS    HUMAN PARATHYROID HORMONE, CYCLIC, ORNITHINE, NORLEUCINE,     
*KEYWDS   2 NMR STRUCTURE                                                
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    P.ROESCH,G.SEIDEL,W.SCHAEFER,A.ESSWEIN,E.HOFMANN              
*REVDAT   1   12-OCT-04 1HTH    0   


REMARK     INPUT DISTANCE AND TORSION ANGLE RESTRAINTS
REMARK     DERIVED FROM NMR DATA, USED IN STRUCTURE CALCULATIONS
REMARK     OF CYCLIC HUMAN PARATHYROID HORMONE FRAGMENT 1 - 34 
REMARK     DATA FOLLOW X-PLOR 3.1 (A.T.BRUNGER, YALE UNIVERSITY) FORMAT.

! NOEs

assign (resid 16 and name HN)  (resid 15 and name HN)  2.0 0.0 2.0
assign (resid 10 and name HN)  (resid 9 and name HN)  2.0 0.0 1.0
assign (resid 10 and name HN)  (resid 11 and name HN)  2.0 0.0 1.0
assign (resid 32 and name HN)  (resid 33 and name HN)  2.0 0.0 2.0
assign (resid 30 and name HN)  (resid 29 and name HN)  2.0 0.0 3.0
assign (resid 16 and name HN)  (resid 17 and name HN)  2.0 0.0 1.0
assign (resid 32 and name HN)  (resid 31 and name HN)  2.0 0.0 2.0
assign (resid 12 and name HN)  (resid 13 and name HN)  2.0 0.0 1.0
assign (resid 30 and name HN)  (resid 31 and name HN)  2.0 0.0 2.0
assign (resid 4 and name HN)  (resid 5 and name HN)  2.0 0.0 1.0
assign (resid 33 and name HN)  (resid 34 and name HN)  2.0 0.0 2.0
assign (resid 19 and name HN)  (resid 18 and name HN)  2.0 0.0 2.0
assign (resid 9 and name HN)  (resid 8 and name HN)  2.0 0.0 1.0
assign (resid 22 and name HN)  (resid 21 and name HN)  2.0 0.0 1.0
assign (resid 22 and name HN)  (resid 23 and name HN)  2.0 0.0 1.0
assign (resid 15 and name HN)  (resid 14 and name HN)  2.0 0.0 2.0
assign (resid 18 and name HN)  (resid 17 and name HN)  2.0 0.0 2.0
assign (resid 13 and name HN)  (resid 14 and name HN)  2.0 0.0 2.0
assign (resid 20 and name HN)  (resid 19 and name HN)  2.0 0.0 2.0
assign (resid 23 and name HN)  (resid 24 and name HN)  2.0 0.0 2.0
assign (resid 25 and name HN)  (resid 24 and name HN)  2.0 0.0 2.0
assign (resid 15 and name HN)  (resid 17 and name HN)  2.0 0.0 3.0
assign (resid 22 and name HN)  (resid 24 and name HN)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HA)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HA)  2.0 0.0 2.0
assign (resid 31 and name HN)  (resid 30 and name HA)  2.0 0.0 2.0
assign (resid 11 and name HN)  (resid 10 and name HA)  2.0 0.0 2.0
assign (resid 16 and name HN)  (resid 15 and name HA)  2.0 0.0 1.0
assign (resid 24 and name HN)  (resid 23 and name HA)  2.0 0.0 2.0
assign (resid 17 and name HN)  (resid 16 and name HA)  2.0 0.0 2.0
assign (resid 14 and name HN)  (resid 13 and name HA)  2.0 0.0 2.0
assign (resid 4 and name HN)  (resid 3 and name HA)  2.0 0.0 1.0
assign (resid 12 and name HN)  (resid 11 and name HA)  2.0 0.0 2.0
assign (resid 30 and name HN)  (resid 29 and name HA)  2.0 0.0 2.0
assign (resid 3 and name HN)  (resid 2 and name HA)  2.0 0.0 1.0
assign (resid 32 and name HN)  (resid 31 and name HA)  2.0 0.0 1.0
assign (resid 9 and name HN)  (resid 8 and name HA)  2.0 0.0 2.0
assign (resid 19 and name HN)  (resid 18 and name HA)  2.0 0.0 1.0
assign (resid 6 and name HN)  (resid 5 and name HA)  2.0 0.0 1.0
assign (resid 22 and name HN)  (resid 21 and name HA)  2.0 0.0 2.0
assign (resid 28 and name HN)  (resid 27 and name HA)  2.0 0.0 2.0
assign (resid 13 and name HN)  (resid 12 and name HA*)  2.0 0.0 1.5
assign (resid 26 and name HN)  (resid 25 and name HA)  2.0 0.0 2.0
assign (resid 8 and name HN)  (resid 7 and name HA)  2.0 0.0 1.0
assign (resid 12 and name HN)  (resid 11 and name HD*)  2.0 0.0 3.5
assign (resid 2 and name HN)  (resid 1 and name HB*)  2.0 0.0 2.5
assign (resid 10 and name HN)  (resid 9 and name HB1)  2.0 0.0 3.0
assign (resid 10 and name HN)  (resid 9 and name HB2)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HB2)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 32 and name HB1)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 23 and name HB1)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 23 and name HB2)  2.0 0.0 3.0
assign (resid 15 and name HN)  (resid 14 and name HB2)  2.0 0.0 3.0
assign (resid 11 and name HN)  (resid 10 and name HB*)  2.0 0.0 2.5
assign (resid 17 and name HN)  (resid 16 and name HB*)  2.0 0.0 3.5
assign (resid 31 and name HN)  (resid 30 and name HB1)  2.0 0.0 3.0
assign (resid 31 and name HN)  (resid 30 and name HB2)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HB1)  2.0 0.0 3.0
assign (resid 34 and name HN)  (resid 33 and name HB2)  2.0 0.0 3.0
assign (resid 30 and name HN)  (resid 29 and name HB2)  2.0 0.0 3.0
assign (resid 30 and name HN)  (resid 29 and name HB1)  2.0 0.0 3.0
assign (resid 32 and name HN)  (resid 31 and name HB)  2.0 0.0 3.0
assign (resid 19 and name HN)  (resid 18 and name HB1)  2.0 0.0 2.0 
assign (resid 9 and name HN)  (resid 8 and name HB*)  2.0 0.0 2.5
assign (resid 16 and name HN)  (resid 15 and name HB*)  2.0 0.0 2.5
assign (resid 15 and name HN)  (resid 14 and name HB1)  2.0 0.0 2.0
assign (resid 4 and name HN)  (resid 3 and name HB1)  2.0 0.0 2.0
assign (resid 4 and name HN)  (resid 3 and name HB2)  2.0 0.0 3.0
assign (resid 3 and name HN)  (resid 2 and name HB)  2.0 0.0 2.0
assign (resid 6 and name HN)  (resid 5 and name HB)  2.0 0.0 3.0
assign (resid 12 and name HN)  (resid 11 and name HB*)  2.0 0.0 3.5
assign (resid 23 and name HN)  (resid 22 and name HB*)  2.0 0.0 2.0 
assign (resid 18 and name HN)  (resid 17 and name HG2)  2.0 0.0 3.0
assign (resid 23 and name HN)  (resid 22 and name HG*)  2.0 0.0 3.5
assign (resid 22 and name HN)  (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 22 and name HN)  (resid 21 and name HG2*)  2.0 0.0 2.5
assign (resid 32 and name HN)  (resid 31 and name HG*)  2.0 0.0 2.5
assign (resid 30 and name HN)  (resid 29 and name HG*)  2.0 0.0 3.5
assign (resid 14 and name HN)  (resid 13 and name HG*)  2.0 0.0 3.0
assign (resid 19 and name HN)  (resid 18 and name HG*)  2.0 0.0 3.5
assign (resid 9 and name HN)  (resid 8 and name HG1)  2.0 0.0 3.0
assign (resid 3 and name HN)  (resid 2 and name HG*)  2.0 0.0 3.5
assign (resid 12 and name HN)  (resid 11 and name HG)  2.0 0.0 3.0
assign (resid 16 and name HN)  (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 24 and name HN)  (resid 23 and name HE3)  2.0 0.0 3.0
assign (resid 23 and name HD1)  (resid 22 and name HG*)  2.0 0.0 3.5
assign (resid 23 and name HD1)  (resid 22 and name HB*)  2.0 0.0 3.5
assign (resid 23 and name HD1)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HZ3)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE1)  (resid 24 and name HD*)  2.0 0.0 2.5
assign (resid 23 and name HE3)  (resid 24 and name HA)  2.0 0.0 2.0
assign (resid 23 and name HE3)  (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE3)  (resid 24 and name HB2)  2.0 0.0 3.0
assign (resid 23 and name HE3)  (resid 20 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HD22)  (resid 6 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HD21)  (resid 6 and name HA)  2.0 0.0 3.0
assign (resid 22 and name HG*)  (resid 23 and name HE3)  2.0 0.0 3.5
assign (resid 6 and name HG*)  (resid 10 and name HD21)  2.0 0.0 3.5
assign (resid 23 and name HE3)  (resid 24 and name HB1)  2.0 0.0 3.0
assign (resid 23 and name HE3)  (resid 24 and name HB2)  2.0 0.0 3.0
assign (resid 23 and name HZ2)  (resid 27 and name HG*)  2.0 0.0 3.5
assign (resid 9 and name HD2)  (resid 7 and name HD*)  2.0 0.0 3.5
assign (resid 10 and name HD22)  (resid 6 and name HG*)  2.0 0.0 3.5
assign (resid 10 and name HN)  (resid 8 and name HA)  2.0 0.0 3.0
assign (resid 13 and name HN)  (resid 11 and name HA)  2.0 0.0 3.0
assign (resid 17 and name HN)  (resid 15 and name HA)  2.0 0.0 2.0
assign (resid 23 and name HN)  (resid 21 and name HA)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 33 and name HN)  (resid 31 and name HA)  2.0 0.0 3.0
assign (resid 8 and name HN)  (resid 5 and name HA)  2.0 0.0 3.0
assign (resid 9 and name HN)  (resid 6 and name HA)  2.0 0.0 3.0
assign (resid 21 and name HN)  (resid 18 and name HA)  2.0 0.0 3.0
assign (resid 25 and name HN)  (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 31 and name HN)  (resid 28 and name HA)  2.0 0.0 3.0
assign (resid 24 and name HN)  (resid 21 and name HA)  2.0 0.0 2.0
assign (resid 10 and name HN)  (resid 7 and name HA)  2.0 0.0 2.0
assign (resid 29 and name HN)  (resid 26 and name HA)  2.0 0.0 2.0
assign (resid 26 and name HN)  (resid 23 and name HA)  2.0 0.0 3.0
assign (resid 11 and name HN)  (resid 8 and name HA)  2.0 0.0 3.0
assign (resid 12 and name HN)  (resid 9 and name HA)  2.0 0.0 3.0
assign (resid 22 and name HN)  (resid 19 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HN)  (resid 20 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HA)  (resid 29 and name HB1)  2.0 0.0 2.0
assign (resid 20 and name HA)  (resid 23 and name HB*)  2.0 0.0 1.5
assign (resid 7 and name HA)  (resid 10 and name HB*)  2.0 0.0 2.5
assign (resid 5 and name HA)  (resid 8 and name HB*)  2.0 0.0 1.5
assign (resid 21 and name HA)  (resid 24 and name HB2)  2.0 0.0 1.0
assign (resid 21 and name HA)  (resid 24 and name HB1)  2.0 0.0 1.0
assign (resid 18 and name HA)  (resid 21 and name HB)  2.0 0.0 3.0
assign (resid 18 and name HA)  (resid 21 and name HG1*)  2.0 0.0 3.0
assign (resid 22 and name HA)  (resid 25 and name HB1)  2.0 0.0 2.0
assign (resid 6 and name HA)  (resid 9 and name HB2)  2.0 0.0 2.0
assign (resid 6 and name HA)  (resid 9 and name HB1)  2.0 0.0 2.0
assign (resid 23 and name HA)  (resid 26 and name HB*)  2.0 0.0 2.5
assign (resid 23 and name HA)  (resid 26 and name HD*)  2.0 0.0 2.5
assign (resid 27 and name HA)  (resid 30 and name HB2)  2.0 0.0 3.0
assign (resid 3 and name HA)  (resid 6 and name HB*)  2.0 0.0 2.5
assign (resid 16 and name HA)  (resid 19 and name HB1)  2.0 0.0 3.0
assign (resid 15 and name HA)  (resid 18 and name HB1)  2.0 0.0 3.0
assign (resid 24 and name HA)  (resid 27 and name HB1)  2.0 0.0 2.0
assign (resid 10 and name HB*)  (resid 11 and name HB*)  2.0 0.0 3.5
assign (resid 13 and name HE*)  (resid 17 and name HB*)  2.0 0.0 2.5
assign (resid 5 and name HA)  (resid 8 and name HD*)  2.0 0.0 3.5
assign (resid 16 and name HN)  (resid 14 and name HB1)  2.0 0.0 2.0
assign (resid 16 and name HN)  (resid 14 and name HB2)  2.0 0.0 3.0

!dihedral angle restraints for the phi angles

assign (resid 3 and name HN)(resid 3 and name N)(resid 3 and name CA)(resid 3 and name HA) 20 -134 20 2
assign (resid 4 and name HN)(resid 4 and name N)(resid 4 and name CA)(resid 4 and name HA) 20 -137 20 2
assign (resid 5 and name HN)(resid 5 and name N)(resid 5 and name CA)(resid 5 and name HA) 20 -135 20 2
assign (resid 8 and name HN)(resid 8 and name N)(resid 8 and name CA)(resid 8 and name HA) 20 -130 20 2
assign (resid 10 and name HN)(resid 10 and name N)(resid 10 and name CA)(resid 10 and name HA) 20 -138 20 2
assign (resid 16 and name HN)(resid 16 and name N)(resid 16 and name CA)(resid 16 and name HA) 20 -135 20 2
assign (resid 15 and name HN)(resid 15 and name N)(resid 15 and name CA)(resid 15 and name HA) 20 -128 20 2
assign (resid 17 and name HN)(resid 17 and name N)(resid 17 and name CA)(resid 17 and name HA) 20 -134 20 2
assign (resid 19 and name HN)(resid 19 and name N)(resid 19 and name CA)(resid 19 and name HA) 20 -138 20 2
assign (resid 20 and name HN)(resid 20 and name N)(resid 20 and name CA)(resid 20 and name HA) 20 -132 20 2
assign (resid 21 and name HN)(resid 21 and name N)(resid 21 and name CA)(resid 21 and name HA) 20 -129 20 2
assign (resid 22 and name HN)(resid 22 and name N)(resid 22 and name CA)(resid 22 and name HA) 20 -135 20 2
assign (resid 23 and name HN)(resid 23 and name N)(resid 23 and name CA)(resid 23 and name HA) 20 -136 20 2
assign (resid 26 and name HN)(resid 26 and name N)(resid 26 and name CA)(resid 26 and name HA) 20 -138 20 2
assign (resid 9 and name HN)(resid 9 and name N)(resid 9 and name CA)(resid 9 and name HA) 20 -138 20 2


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    SER   1          HT3       SER   1  18.398  13.769  13.769
    2   2H    SER   1          HT2       SER   1  19.057  15.330  15.330
    3   3H    SER   1          HT1       SER   1  17.842  15.002  15.002
    4    HA   SER   1          HA        SER   1  16.172  15.054  15.054
    5   1HB   SER   1          HB2       SER   1  16.685  17.243  17.243
    6   2HB   SER   1          HB1       SER   1  18.383  16.892  16.892
    7    HG   SER   1          HG        SER   1  17.890  16.349  16.349
    8    H    VAL   2          HN        VAL   2  15.438  14.700  14.700
    9    HA   VAL   2          HA        VAL   2  17.130  12.610  12.610
   10    HB   VAL   2          HB        VAL   2  15.089  11.681  11.681
   11   1HG1  VAL   2          HG12      VAL   2  14.750  12.501  12.501
   12   2HG1  VAL   2          HG11      VAL   2  13.818  11.233  11.233
   13   3HG1  VAL   2          HG13      VAL   2  15.560  11.050  11.050
   14   1HG2  VAL   2          HG21      VAL   2  13.770  14.151  14.151
   15   2HG2  VAL   2          HG23      VAL   2  13.926  13.759  13.759
   16   3HG2  VAL   2          HG22      VAL   2  12.892  12.778  12.778
   17    H    SER   3          HN        SER   3  17.606  12.811  12.811
   18    HA   SER   3          HA        SER   3  17.214  15.518  15.518
   19   1HB   SER   3          HB2       SER   3  19.331  13.757  13.757
   20   2HB   SER   3          HB1       SER   3  18.616  13.543  13.543
   21    HG   SER   3          HG        SER   3  19.743  15.817  15.817
   22    H    GLU   4          HN        GLU   4  16.538  15.738  15.738
   23    HA   GLU   4          HA        GLU   4  14.053  14.398  14.398
   24   1HB   GLU   4          HB2       GLU   4  15.842  16.228  16.228
   25   2HB   GLU   4          HB1       GLU   4  14.491  15.431  15.431
   26   1HG   GLU   4          HG2       GLU   4  13.667  17.543  17.543
   27   2HG   GLU   4          HG1       GLU   4  13.007  16.312  16.312
   28    H    ILE   5          HN        ILE   5  17.191  14.170  14.170
   29    HA   ILE   5          HA        ILE   5  16.282  11.700  11.700
   30    HB   ILE   5          HB        ILE   5  18.500  11.828  11.828
   31   1HG1  ILE   5          HG12      ILE   5  19.376  14.399  14.399
   32   2HG1  ILE   5          HG11      ILE   5  18.969  13.687  13.687
   33   1HG2  ILE   5          HG21      ILE   5  16.310  13.309  13.309
   34   2HG2  ILE   5          HG23      ILE   5  17.451  14.612  14.612
   35   3HG2  ILE   5          HG22      ILE   5  17.783  13.457  13.457
   36   1HD1  ILE   5          HD12      ILE   5  20.359  11.764  11.764
   37   2HD1  ILE   5          HD11      ILE   5  21.309  13.240  13.240
   38   3HD1  ILE   5          HD13      ILE   5  20.783  12.356  12.356
   39    H    GLN   6          HN        GLN   6  16.648  11.710  11.710
   40    HA   GLN   6          HA        GLN   6  19.145  10.288  10.288
   41   1HB   GLN   6          HB2       GLN   6  17.731  11.776  11.776
   42   2HB   GLN   6          HB1       GLN   6  16.772  10.314  10.314
   43   1HG   GLN   6          HG2       GLN   6  19.634   9.764   9.764
   44   2HG   GLN   6          HG1       GLN   6  19.140  10.953  10.953
   45   1HE2  GLN   6          HE22      GLN   6  18.602   7.464   7.464
   46   2HE2  GLN   6          HE21      GLN   6  19.951   8.255   8.255
   47    H    LEU   7          HN        LEU   7  15.694   9.392   9.392
   48    HA   LEU   7          HA        LEU   7  16.223   6.604   6.604
   49   1HB   LEU   7          HB2       LEU   7  13.880   8.195   8.195
   50   2HB   LEU   7          HB1       LEU   7  13.876   6.475   6.475
   51    HG   LEU   7          HG        LEU   7  12.819   7.019   7.019
   52   1HD1  LEU   7          HD13      LEU   7  14.577   4.949   4.949
   53   2HD1  LEU   7          HD12      LEU   7  15.072   5.420   5.420
   54   3HD1  LEU   7          HD11      LEU   7  13.408   4.921   4.921
   55   1HD2  LEU   7          HD21      LEU   7  14.476   8.846   8.846
   56   2HD2  LEU   7          HD23      LEU   7  14.266   7.676   7.676
   57   3HD2  LEU   7          HD22      LEU   7  15.690   7.595   7.595
   58   1HN   NLE   8          HN        NLE   8  16.764   8.580   8.580
   59    HA   NLE   8          HA        NLE   8  16.624   6.436   6.436
   60   1HB   NLE   8          HB1       NLE   8  17.880   8.508   8.508
   61   2HB   NLE   8          HB2       NLE   8  16.978   9.380   9.380
   62   1HG   NLE   8          HG1       NLE   8  15.148   7.513   7.513
   63   2HG   NLE   8          HG2       NLE   8  16.005   8.033   8.033
   64   1HD   NLE   8          HD1       NLE   8  15.577  10.395  10.395
   65   2HD   NLE   8          HD2       NLE   8  14.076   9.489   9.489
   66   1HE   NLE   8          HE1       NLE   8  14.083  10.939  10.939
   67   2HE   NLE   8          HE2       NLE   8  13.861   9.228   9.228
   68   3HE   NLE   8          HE3       NLE   8  15.432   9.989   9.989
   69    H    HIS   9          HN        HIS   9  18.806   7.788   7.788
   70    HA   HIS   9          HA        HIS   9  21.251   7.059   7.059
   71   1HB   HIS   9          HB2       HIS   9  22.140   8.500   8.500
   72   2HB   HIS   9          HB1       HIS   9  20.545   8.703   8.703
   73    HD1  HIS   9          HD1       HIS   9  23.866   7.220   7.220
   74    HD2  HIS   9          HD2       HIS   9  20.034   6.909   6.909
   75    HE1  HIS   9          HE1       HIS   9  24.130   6.084   6.084
   76    H    ASN  10          HN        ASN  10  18.893   5.222   5.222
   77    HA   ASN  10          HA        ASN  10  20.673   3.301   3.301
   78   1HB   ASN  10          HB2       ASN  10  17.678   3.451   3.451
   79   2HB   ASN  10          HB1       ASN  10  18.466   2.042   2.042
   80   1HD2  ASN  10          HD22      ASN  10  18.764   5.579   5.579
   81   2HD2  ASN  10          HD21      ASN  10  18.791   5.626   5.626
   82    H    LEU  11          HN        LEU  11  18.335   3.244   3.244
   83    HA   LEU  11          HA        LEU  11  20.072   1.181   1.181
   84   1HB   LEU  11          HB2       LEU  11  17.552   0.448   0.448
   85   2HB   LEU  11          HB1       LEU  11  18.463  -0.359  -0.359
   86    HG   LEU  11          HG        LEU  11  16.911   2.052   2.052
   87   1HD1  LEU  11          HD11      LEU  11  15.706  -0.166  -0.166
   88   2HD1  LEU  11          HD13      LEU  11  15.118  -0.107  -0.107
   89   3HD1  LEU  11          HD12      LEU  11  14.946   1.302   1.302
   90   1HD2  LEU  11          HD21      LEU  11  18.306   0.019   0.019
   91   2HD2  LEU  11          HD23      LEU  11  17.152   1.102   1.102
   92   3HD2  LEU  11          HD22      LEU  11  16.625  -0.477  -0.477
   93    H    GLY  12          HN        GLY  12  19.062   4.188   4.188
   94   1HA   GLY  12          HA2       GLY  12  18.362   4.003   4.003
   95   2HA   GLY  12          HA1       GLY  12  18.022   5.399   5.399
   96   1HN   ORN  13          HN        ORN  13  21.089   3.715   3.715
   97    HA   ORN  13          HA        ORN  13  22.366   5.996   5.996
   98   1HB   ORN  13          HB1       ORN  13  23.475   4.659   4.659
   99   2HB   ORN  13          HB2       ORN  13  22.591   6.185   6.185
  100   1HG   ORN  13          HG1       ORN  13  24.272   7.295   7.295
  101   2HG   ORN  13          HG2       ORN  13  25.006   5.775   5.775
  102   1HD   ORN  13          HD1       ORN  13  24.860   6.228   6.228
  103   2HD   ORN  13          HD2       ORN  13  25.970   7.272   7.272
  104   1HNE  ORN  13          HE1       ORN  13  26.287   4.489   4.489
  105    H    HIS  14          HN        HIS  14  23.043   2.739   2.739
  106    HA   HIS  14          HA        HIS  14  23.706   1.470   1.470
  107   1HB   HIS  14          HB2       HIS  14  25.621   3.473   3.473
  108   2HB   HIS  14          HB1       HIS  14  26.391   1.917   1.917
  109    HD1  HIS  14          HD1       HIS  14  25.209   0.172   0.172
  110    HD2  HIS  14          HD2       HIS  14  26.444   4.092   4.092
  111    HE1  HIS  14          HE1       HIS  14  25.662   0.347   0.347
  112    H    LEU  15          HN        LEU  15  23.810  -0.665  -0.665
  113    HA   LEU  15          HA        LEU  15  24.046  -1.411  -1.411
  114   1HB   LEU  15          HB2       LEU  15  22.623  -2.667  -2.667
  115   2HB   LEU  15          HB1       LEU  15  24.082  -3.178  -3.178
  116    HG   LEU  15          HG        LEU  15  24.087  -3.670  -3.670
  117   1HD1  LEU  15          HD12      LEU  15  21.712  -4.179  -4.179
  118   2HD1  LEU  15          HD11      LEU  15  22.381  -5.385  -5.385
  119   3HD1  LEU  15          HD13      LEU  15  22.598  -5.563  -5.563
  120   1HD2  LEU  15          HD23      LEU  15  25.613  -4.425  -4.425
  121   2HD2  LEU  15          HD22      LEU  15  25.538  -5.323  -5.323
  122   3HD2  LEU  15          HD21      LEU  15  24.543  -5.818  -5.818
  123    H    ASN  16          HN        ASN  16  26.285  -0.623  -0.623
  124    HA   ASN  16          HA        ASN  16  28.380  -2.471  -2.471
  125   1HB   ASN  16          HB2       ASN  16  27.883  -1.184  -1.184
  126   2HB   ASN  16          HB1       ASN  16  29.357  -0.465  -0.465
  127   1HD2  ASN  16          HD22      ASN  16  30.233  -3.614  -3.614
  128   2HD2  ASN  16          HD21      ASN  16  29.414  -2.189  -2.189
  129    H    GLU  17          HN        GLU  17  27.059   0.473   0.473
  130    HA   GLU  17          HA        GLU  17  29.567   1.811   1.811
  131   1HB   GLU  17          HB2       GLU  17  27.343   2.920   2.920
  132   2HB   GLU  17          HB1       GLU  17  26.809   2.635   2.635
  133   1HG   GLU  17          HG2       GLU  17  28.899   3.821   3.821
  134   2HG   GLU  17          HG1       GLU  17  29.197   4.265   4.265
  135   1HN   NLE  18          HN        NLE  18  28.071  -0.783  -0.783
  136    HA   NLE  18          HA        NLE  18  29.068  -0.111  -0.111
  137   1HB   NLE  18          HB1       NLE  18  26.396  -1.464  -1.464
  138   2HB   NLE  18          HB2       NLE  18  26.491   0.296   0.296
  139   1HG   NLE  18          HG1       NLE  18  27.866  -1.245  -1.245
  140   2HG   NLE  18          HG2       NLE  18  26.166  -0.791  -0.791
  141   1HD   NLE  18          HD1       NLE  18  28.489   1.108   1.108
  142   2HD   NLE  18          HD2       NLE  18  27.589   0.921   0.921
  143   1HE   NLE  18          HE1       NLE  18  26.798   2.273   2.273
  144   2HE   NLE  18          HE2       NLE  18  26.399   2.687   2.687
  145   3HE   NLE  18          HE3       NLE  18  25.532   1.387   1.387
  146    H    GLU  19          HN        GLU  19  29.792  -1.954  -1.954
  147    HA   GLU  19          HA        GLU  19  29.285  -4.632  -4.632
  148   1HB   GLU  19          HB2       GLU  19  30.683  -3.535  -3.535
  149   2HB   GLU  19          HB1       GLU  19  31.086  -5.164  -5.164
  150   1HG   GLU  19          HG2       GLU  19  28.326  -5.153  -5.153
  151   2HG   GLU  19          HG1       GLU  19  28.647  -4.184  -4.184
  152    H    ARG  20          HN        ARG  20  32.410  -3.263  -3.263
  153    HA   ARG  20          HA        ARG  20  33.705  -4.578  -4.578
  154   1HB   ARG  20          HB2       ARG  20  34.971  -2.814  -2.814
  155   2HB   ARG  20          HB1       ARG  20  35.791  -3.951  -3.951
  156   1HG   ARG  20          HG2       ARG  20  35.367  -5.679  -5.679
  157   2HG   ARG  20          HG1       ARG  20  33.656  -5.257  -5.257
  158   1HD   ARG  20          HD2       ARG  20  34.001  -3.777  -3.777
  159   2HD   ARG  20          HD1       ARG  20  35.736  -3.680  -3.680
  160    HE   ARG  20          HE        ARG  20  35.925  -5.990  -5.990
  161   1HH1  ARG  20          HH21      ARG  20  32.675  -5.006  -5.006
  162   2HH1  ARG  20          HH22      ARG  20  32.253  -5.679  -5.679
  163   1HH2  ARG  20          HH11      ARG  20  35.505  -6.579  -6.579
  164   2HH2  ARG  20          HH12      ARG  20  33.854  -6.573  -6.573
  165    H    VAL  21          HN        VAL  21  33.283  -1.193  -1.193
  166    HA   VAL  21          HA        VAL  21  34.676   0.124   0.124
  167    HB   VAL  21          HB        VAL  21  33.602   1.547   1.547
  168   1HG1  VAL  21          HG13      VAL  21  31.215  -0.153  -0.153
  169   2HG1  VAL  21          HG12      VAL  21  30.953   1.486   1.486
  170   3HG1  VAL  21          HG11      VAL  21  31.864   0.328   0.328
  171   1HG2  VAL  21          HG21      VAL  21  33.218   1.971   1.971
  172   2HG2  VAL  21          HG23      VAL  21  32.841   3.145   3.145
  173   3HG2  VAL  21          HG22      VAL  21  31.573   2.099   2.099
  174    H    GLU  22          HN        GLU  22  31.806  -1.779  -1.779
  175    HA   GLU  22          HA        GLU  22  31.020  -1.065  -1.065
  176   1HB   GLU  22          HB2       GLU  22  29.257  -2.254  -2.254
  177   2HB   GLU  22          HB1       GLU  22  30.299  -3.046  -3.046
  178   1HG   GLU  22          HG2       GLU  22  30.771  -4.839  -4.839
  179   2HG   GLU  22          HG1       GLU  22  30.524  -3.900  -3.900
  180    H    TRP  23          HN        TRP  23  32.319  -4.030  -4.030
  181    HA   TRP  23          HA        TRP  23  33.276  -4.986  -4.986
  182   1HB   TRP  23          HB2       TRP  23  33.533  -6.912  -6.912
  183   2HB   TRP  23          HB1       TRP  23  32.602  -6.062  -6.062
  184    HD1  TRP  23          HD1       TRP  23  33.507  -6.537  -6.537
  185    HE1  TRP  23          HE1       TRP  23  35.836  -6.958  -6.958
  186    HE3  TRP  23          HE3       TRP  23  36.361  -5.872  -5.872
  187    HZ2  TRP  23          HZ2       TRP  23  38.584  -7.010  -7.010
  188    HZ3  TRP  23          HZ3       TRP  23  38.843  -6.110  -6.110
  189    HH2  TRP  23          HH2       TRP  23  39.955  -6.666  -6.666
  190    H    LEU  24          HN        LEU  24  35.079  -3.815  -3.815
  191    HA   LEU  24          HA        LEU  24  37.677  -3.865  -3.865
  192   1HB   LEU  24          HB2       LEU  24  36.042  -2.098  -2.098
  193   2HB   LEU  24          HB1       LEU  24  37.206  -1.150  -1.150
  194    HG   LEU  24          HG        LEU  24  39.050  -2.284  -2.284
  195   1HD1  LEU  24          HD13      LEU  24  37.036  -4.395  -4.395
  196   2HD1  LEU  24          HD12      LEU  24  38.089  -4.235  -4.235
  197   3HD1  LEU  24          HD11      LEU  24  38.783  -4.534  -4.534
  198   1HD2  LEU  24          HD21      LEU  24  37.748  -0.743  -0.743
  199   2HD2  LEU  24          HD23      LEU  24  38.691  -1.970  -1.970
  200   3HD2  LEU  24          HD22      LEU  24  36.948  -2.171  -2.171
  201    H    ARG  25          HN        ARG  25  35.275  -1.637  -1.637
  202    HA   ARG  25          HA        ARG  25  37.023  -0.111  -0.111
  203   1HB   ARG  25          HB2       ARG  25  34.769   0.640   0.640
  204   2HB   ARG  25          HB1       ARG  25  34.121  -0.901  -0.901
  205   1HG   ARG  25          HG2       ARG  25  34.848  -0.503  -0.503
  206   2HG   ARG  25          HG1       ARG  25  35.854   0.859   0.859
  207   1HD   ARG  25          HD2       ARG  25  34.089   2.302   2.302
  208   2HD   ARG  25          HD1       ARG  25  32.993   1.082   1.082
  209    HE   ARG  25          HE        ARG  25  33.617   0.459   0.459
  210   1HH1  ARG  25          HH11      ARG  25  33.049   3.429   3.429
  211   2HH1  ARG  25          HH12      ARG  25  31.338   3.445   3.445
  212   1HH2  ARG  25          HH21      ARG  25  30.892   0.139   0.139
  213   2HH2  ARG  25          HH22      ARG  25  30.116   1.583   1.583
  214    H    LYS  26          HN        LYS  26  35.090  -2.982  -2.982
  215    HA   LYS  26          HA        LYS  26  36.186  -3.239  -3.239
  216   1HB   LYS  26          HB2       LYS  26  35.022  -5.297  -5.297
  217   2HB   LYS  26          HB1       LYS  26  35.454  -5.656  -5.656
  218   1HG   LYS  26          HG2       LYS  26  33.683  -4.491  -4.491
  219   2HG   LYS  26          HG1       LYS  26  33.799  -3.230  -3.230
  220   1HD   LYS  26          HD2       LYS  26  32.437  -4.349  -4.349
  221   2HD   LYS  26          HD1       LYS  26  32.951  -5.938  -5.938
  222   1HE   LYS  26          HE2       LYS  26  31.256  -4.076  -4.076
  223   2HE   LYS  26          HE1       LYS  26  30.562  -5.285  -5.285
  224   1HZ   LYS  26          HZ2       LYS  26  32.579  -5.974  -5.974
  225   2HZ   LYS  26          HZ1       LYS  26  30.913  -5.969  -5.969
  226   3HZ   LYS  26          HZ3       LYS  26  31.537  -7.018  -7.018
  227    H    LYS  27          HN        LYS  27  37.686  -3.745  -3.745
  228    HA   LYS  27          HA        LYS  27  39.414  -5.911  -5.911
  229   1HB   LYS  27          HB2       LYS  27  39.181  -4.330  -4.330
  230   2HB   LYS  27          HB1       LYS  27  40.425  -3.370  -3.370
  231   1HG   LYS  27          HG2       LYS  27  41.078  -6.212  -6.212
  232   2HG   LYS  27          HG1       LYS  27  40.866  -5.593  -5.593
  233   1HD   LYS  27          HD2       LYS  27  42.752  -4.341  -4.341
  234   2HD   LYS  27          HD1       LYS  27  42.385  -3.780  -3.780
  235   1HE   LYS  27          HE2       LYS  27  43.218  -5.858  -5.858
  236   2HE   LYS  27          HE1       LYS  27  43.466  -6.536  -6.536
  237   1HZ   LYS  27          HZ3       LYS  27  44.786  -4.046  -4.046
  238   2HZ   LYS  27          HZ2       LYS  27  45.487  -5.582  -5.582
  239   3HZ   LYS  27          HZ1       LYS  27  45.162  -4.985  -4.985
  240    H    LEU  28          HN        LEU  28  39.632  -2.607  -2.607
  241    HA   LEU  28          HA        LEU  28  42.204  -3.269  -3.269
  242   1HB   LEU  28          HB2       LEU  28  41.217  -0.929  -0.929
  243   2HB   LEU  28          HB1       LEU  28  41.027  -0.660  -0.660
  244    HG   LEU  28          HG        LEU  28  43.262   0.067   0.067
  245   1HD1  LEU  28          HD12      LEU  28  42.698  -1.025  -1.025
  246   2HD1  LEU  28          HD11      LEU  28  43.793  -2.278  -2.278
  247   3HD1  LEU  28          HD13      LEU  28  44.354  -0.611  -0.611
  248   1HD2  LEU  28          HD22      LEU  28  43.203  -2.099  -2.099
  249   2HD2  LEU  28          HD21      LEU  28  44.726  -1.393  -1.393
  250   3HD2  LEU  28          HD23      LEU  28  44.068  -2.804  -2.804
  251    H    GLN  29          HN        GLN  29  38.847  -2.422  -2.422
  252    HA   GLN  29          HA        GLN  29  39.088  -2.172  -2.172
  253   1HB   GLN  29          HB2       GLN  29  36.938  -2.810  -2.810
  254   2HB   GLN  29          HB1       GLN  29  36.696  -3.519  -3.519
  255   1HG   GLN  29          HG2       GLN  29  37.635  -0.713  -0.713
  256   2HG   GLN  29          HG1       GLN  29  36.008  -0.961  -0.961
  257   1HE2  GLN  29          HE22      GLN  29  36.360  -0.845  -0.845
  258   2HE2  GLN  29          HE21      GLN  29  37.359  -0.062  -0.062
  259    H    ASP  30          HN        ASP  30  37.954  -5.174  -5.174
  260    HA   ASP  30          HA        ASP  30  38.682  -6.755  -6.755
  261   1HB   ASP  30          HB2       ASP  30  37.587  -7.368  -7.368
  262   2HB   ASP  30          HB1       ASP  30  38.197  -8.675  -8.675
  263    H    VAL  31          HN        VAL  31  40.497  -5.419  -5.419
  264    HA   VAL  31          HA        VAL  31  42.537  -6.006  -6.006
  265    HB   VAL  31          HB        VAL  31  43.325  -5.144  -5.144
  266   1HG1  VAL  31          HG11      VAL  31  42.528  -7.850  -7.850
  267   2HG1  VAL  31          HG13      VAL  31  43.607  -6.764  -6.764
  268   3HG1  VAL  31          HG12      VAL  31  41.955  -6.264  -6.264
  269   1HG2  VAL  31          HG23      VAL  31  44.600  -7.828  -7.828
  270   2HG2  VAL  31          HG22      VAL  31  45.042  -6.272  -6.272
  271   3HG2  VAL  31          HG21      VAL  31  45.334  -6.580  -6.580
  272    H    HIS  32          HN        HIS  32  42.173  -7.725  -7.725
  273    HA   HIS  32          HA        HIS  32  41.636 -10.405 -10.405
  274   1HB   HIS  32          HB2       HIS  32  42.621  -8.945  -8.945
  275   2HB   HIS  32          HB1       HIS  32  43.234 -10.597 -10.597
  276    HD1  HIS  32          HD1       HIS  32  41.438 -10.498 -10.498
  277    HD2  HIS  32          HD2       HIS  32  39.870 -10.764 -10.764
  278    HE1  HIS  32          HE1       HIS  32  39.078 -11.382 -11.382
  279    H    ASN  33          HN        ASN  33  42.924 -10.905 -10.905
  280    HA   ASN  33          HA        ASN  33  45.715 -10.679 -10.679
  281   1HB   ASN  33          HB2       ASN  33  44.016 -11.495 -11.495
  282   2HB   ASN  33          HB1       ASN  33  44.169 -13.082 -13.082
  283   1HD2  ASN  33          HD22      ASN  33  47.318 -13.755 -13.755
  284   2HD2  ASN  33          HD21      ASN  33  46.070 -14.303 -14.303
  285    H    PHE  34          HN        PHE  34  43.806 -13.149 -13.149
  286    HA   PHE  34          HA        PHE  34  44.470 -14.777 -14.777
  287   1HB   PHE  34          HB2       PHE  34  46.246 -12.560 -12.560
  288   2HB   PHE  34          HB1       PHE  34  47.185 -14.046 -14.046
  289    HD1  PHE  34          HD2       PHE  34  43.757 -12.855 -12.855
  290    HD2  PHE  34          HD1       PHE  34  47.359 -14.887 -14.887
  291    HE1  PHE  34          HE2       PHE  34  42.816 -13.226 -13.226
  292    HE2  PHE  34          HE1       PHE  34  46.418 -15.257 -15.257
  293    HZ   PHE  34          HZ        PHE  34  44.148 -14.426 -14.426

  Start of MODEL    2
    1   1H    SER   1          HT2       SER   1   5.555 -16.668 -16.668
    2   2H    SER   1          HT1       SER   1   4.081 -15.835 -15.835
    3   3H    SER   1          HT3       SER   1   4.336 -17.262 -17.262
    4    HA   SER   1          HA        SER   1   5.916 -16.255 -16.255
    5   1HB   SER   1          HB2       SER   1   3.776 -14.163 -14.163
    6   2HB   SER   1          HB1       SER   1   4.588 -14.575 -14.575
    7    HG   SER   1          HG        SER   1   2.353 -15.556 -15.556
    8    H    VAL   2          HN        VAL   2   7.843 -15.234 -15.234
    9    HA   VAL   2          HA        VAL   2   7.889 -12.708 -12.708
   10    HB   VAL   2          HB        VAL   2  10.299 -14.481 -14.481
   11   1HG1  VAL   2          HG11      VAL   2   9.284 -12.158 -12.158
   12   2HG1  VAL   2          HG13      VAL   2   9.745 -13.430 -13.430
   13   3HG1  VAL   2          HG12      VAL   2  10.921 -12.814 -12.814
   14   1HG2  VAL   2          HG22      VAL   2   8.429 -16.006 -16.006
   15   2HG2  VAL   2          HG21      VAL   2   9.455 -15.711 -15.711
   16   3HG2  VAL   2          HG23      VAL   2   7.903 -14.888 -14.888
   17    H    SER   3          HN        SER   3   9.232 -11.083 -11.083
   18    HA   SER   3          HA        SER   3  10.103 -11.529 -11.529
   19   1HB   SER   3          HB2       SER   3   9.749  -9.045  -9.045
   20   2HB   SER   3          HB1       SER   3  10.471  -9.006  -9.006
   21    HG   SER   3          HG        SER   3   8.578  -9.536  -9.536
   22    H    GLU   4          HN        GLU   4  12.174 -12.221 -12.221
   23    HA   GLU   4          HA        GLU   4  14.181 -12.038 -12.038
   24   1HB   GLU   4          HB2       GLU   4  14.012 -12.971 -12.971
   25   2HB   GLU   4          HB1       GLU   4  15.593 -12.318 -12.318
   26   1HG   GLU   4          HG2       GLU   4  16.041 -14.006 -14.006
   27   2HG   GLU   4          HG1       GLU   4  14.369 -14.103 -14.103
   28    H    ILE   5          HN        ILE   5  13.479 -10.047 -10.047
   29    HA   ILE   5          HA        ILE   5  15.733  -8.255  -8.255
   30    HB   ILE   5          HB        ILE   5  13.668  -8.046  -8.046
   31   1HG1  ILE   5          HG12      ILE   5  16.411  -8.751  -8.751
   32   2HG1  ILE   5          HG11      ILE   5  15.668  -9.962  -9.962
   33   1HG2  ILE   5          HG23      ILE   5  15.838  -6.336  -6.336
   34   2HG2  ILE   5          HG22      ILE   5  16.050  -6.802  -6.802
   35   3HG2  ILE   5          HG21      ILE   5  14.571  -5.988  -5.988
   36   1HD1  ILE   5          HD11      ILE   5  14.413  -8.856  -8.856
   37   2HD1  ILE   5          HD13      ILE   5  15.233 -10.413 -10.413
   38   3HD1  ILE   5          HD12      ILE   5  13.744 -10.126 -10.126
   39    H    GLN   6          HN        GLN   6  13.619  -8.425  -8.425
   40    HA   GLN   6          HA        GLN   6  12.568  -5.630  -5.630
   41   1HB   GLN   6          HB2       GLN   6  10.743  -7.296  -7.296
   42   2HB   GLN   6          HB1       GLN   6  11.169  -8.015  -8.015
   43   1HG   GLN   6          HG2       GLN   6   9.319  -6.480  -6.480
   44   2HG   GLN   6          HG1       GLN   6  10.766  -5.785  -5.785
   45   1HE2  GLN   6          HE22      GLN   6   8.907  -3.805  -3.805
   46   2HE2  GLN   6          HE21      GLN   6   8.264  -5.220  -5.220
   47    H    LEU   7          HN        LEU   7  13.470  -8.298  -8.298
   48    HA   LEU   7          HA        LEU   7  13.574  -6.548  -6.548
   49   1HB   LEU   7          HB2       LEU   7  14.316  -9.367  -9.367
   50   2HB   LEU   7          HB1       LEU   7  15.127  -8.590  -8.590
   51    HG   LEU   7          HG        LEU   7  13.004  -9.722  -9.722
   52   1HD1  LEU   7          HD12      LEU   7  13.956  -7.248  -7.248
   53   2HD1  LEU   7          HD11      LEU   7  12.276  -6.889  -6.889
   54   3HD1  LEU   7          HD13      LEU   7  12.650  -8.110  -8.110
   55   1HD2  LEU   7          HD23      LEU   7  11.980  -8.973  -8.973
   56   2HD2  LEU   7          HD22      LEU   7  10.943  -9.163  -9.163
   57   3HD2  LEU   7          HD21      LEU   7  11.482  -7.556  -7.556
   58   1HN   NLE   8          HN        NLE   8  15.523  -6.917  -6.917
   59    HA   NLE   8          HA        NLE   8  18.031  -6.123  -6.123
   60   1HB   NLE   8          HB1       NLE   8  17.317  -6.502  -6.502
   61   2HB   NLE   8          HB2       NLE   8  18.249  -7.612  -7.612
   62   1HG   NLE   8          HG1       NLE   8  19.710  -5.376  -5.376
   63   2HG   NLE   8          HG2       NLE   8  19.065  -5.029  -5.029
   64   1HD   NLE   8          HD1       NLE   8  20.501  -6.495  -6.495
   65   2HD   NLE   8          HD2       NLE   8  19.917  -7.781  -7.781
   66   1HE   NLE   8          HE1       NLE   8  22.298  -7.469  -7.469
   67   2HE   NLE   8          HE2       NLE   8  21.412  -6.888  -6.888
   68   3HE   NLE   8          HE3       NLE   8  22.065  -5.737  -5.737
   69    H    HIS   9          HN        HIS   9  15.312  -4.833  -4.833
   70    HA   HIS   9          HA        HIS   9  16.446  -2.207  -2.207
   71   1HB   HIS   9          HB2       HIS   9  14.622  -2.150  -2.150
   72   2HB   HIS   9          HB1       HIS   9  14.076  -3.675  -3.675
   73    HD1  HIS   9          HD1       HIS   9  13.152  -0.180  -0.180
   74    HD2  HIS   9          HD2       HIS   9  12.481  -3.232  -3.232
   75    HE1  HIS   9          HE1       HIS   9  11.202   0.567   0.567
   76    H    ASN  10          HN        ASN  10  15.429  -3.817  -3.817
   77    HA   ASN  10          HA        ASN  10  14.103  -1.761  -1.761
   78   1HB   ASN  10          HB2       ASN  10  15.749  -4.164  -4.164
   79   2HB   ASN  10          HB1       ASN  10  15.116  -3.056  -3.056
   80   1HD2  ASN  10          HD22      ASN  10  12.215  -4.839  -4.839
   81   2HD2  ASN  10          HD21      ASN  10  13.573  -4.161  -4.161
   82    H    LEU  11          HN        LEU  11  17.421  -2.195  -2.195
   83    HA   LEU  11          HA        LEU  11  18.437  -0.372  -0.372
   84   1HB   LEU  11          HB2       LEU  11  19.564  -2.196  -2.196
   85   2HB   LEU  11          HB1       LEU  11  20.415  -0.651  -0.651
   86    HG   LEU  11          HG        LEU  11  20.802  -0.854  -0.854
   87   1HD1  LEU  11          HD11      LEU  11  18.737  -2.974  -2.974
   88   2HD1  LEU  11          HD13      LEU  11  20.029  -3.295  -3.295
   89   3HD1  LEU  11          HD12      LEU  11  19.026  -1.855  -1.855
   90   1HD2  LEU  11          HD21      LEU  11  22.327  -2.096  -2.096
   91   2HD2  LEU  11          HD23      LEU  11  22.222  -2.841  -2.841
   92   3HD2  LEU  11          HD22      LEU  11  21.339  -3.537  -3.537
   93    H    GLY  12          HN        GLY  12  19.355  -0.103  -0.103
   94   1HA   GLY  12          HA2       GLY  12  18.781   1.641   1.641
   95   2HA   GLY  12          HA1       GLY  12  17.934   2.480   2.480
   96   1HN   ORN  13          HN        ORN  13  20.292   2.082   2.082
   97    HA   ORN  13          HA        ORN  13  22.203   3.302   3.302
   98   1HB   ORN  13          HB1       ORN  13  23.326   4.140   4.140
   99   2HB   ORN  13          HB2       ORN  13  22.525   2.619   2.619
  100   1HG   ORN  13          HG1       ORN  13  23.750   1.433   1.433
  101   2HG   ORN  13          HG2       ORN  13  24.320   2.929   2.929
  102   1HD   ORN  13          HD1       ORN  13  24.983   2.503   2.503
  103   2HD   ORN  13          HD2       ORN  13  25.840   1.505   1.505
  104   1HNE  ORN  13          HE1       ORN  13  26.001   4.463   4.463
  105    H    HIS  14          HN        HIS  14  22.038   5.341   5.341
  106    HA   HIS  14          HA        HIS  14  21.028   7.478   7.478
  107   1HB   HIS  14          HB2       HIS  14  20.371   7.093   7.093
  108   2HB   HIS  14          HB1       HIS  14  19.854   8.459   8.459
  109    HD1  HIS  14          HD1       HIS  14  18.697   7.429   7.429
  110    HD2  HIS  14          HD2       HIS  14  18.344   5.241   5.241
  111    HE1  HIS  14          HE1       HIS  14  16.746   5.847   5.847
  112    H    LEU  15          HN        LEU  15  21.484   8.883   8.883
  113    HA   LEU  15          HA        LEU  15  24.102   9.940   9.940
  114   1HB   LEU  15          HB2       LEU  15  21.910  10.768  10.768
  115   2HB   LEU  15          HB1       LEU  15  23.515  11.092  11.092
  116    HG   LEU  15          HG        LEU  15  22.665  12.992  12.992
  117   1HD1  LEU  15          HD13      LEU  15  25.167  11.648  11.648
  118   2HD1  LEU  15          HD12      LEU  15  24.738  12.278  12.278
  119   3HD1  LEU  15          HD11      LEU  15  24.834  13.367  13.367
  120   1HD2  LEU  15          HD23      LEU  15  21.803  10.913  10.913
  121   2HD2  LEU  15          HD22      LEU  15  21.644  12.647  12.647
  122   3HD2  LEU  15          HD21      LEU  15  23.049  11.781  11.781
  123    H    ASN  16          HN        ASN  16  23.445   7.167   7.167
  124    HA   ASN  16          HA        ASN  16  25.167   7.278   7.278
  125   1HB   ASN  16          HB2       ASN  16  24.538   4.927   4.927
  126   2HB   ASN  16          HB1       ASN  16  23.093   5.899   5.899
  127   1HD2  ASN  16          HD22      ASN  16  22.868   2.951   2.951
  128   2HD2  ASN  16          HD21      ASN  16  22.889   3.189   3.189
  129    H    GLU  17          HN        GLU  17  25.683   7.083   7.083
  130    HA   GLU  17          HA        GLU  17  27.860   5.081   5.081
  131   1HB   GLU  17          HB2       GLU  17  26.133   5.467   5.467
  132   2HB   GLU  17          HB1       GLU  17  27.336   6.658   6.658
  133   1HG   GLU  17          HG2       GLU  17  28.537   4.976   4.976
  134   2HG   GLU  17          HG1       GLU  17  28.804   4.371   4.371
  135   1HN   NLE  18          HN        NLE  18  27.377   8.553   8.553
  136    HA   NLE  18          HA        NLE  18  30.256   8.984   8.984
  137   1HB   NLE  18          HB1       NLE  18  28.871  11.424  11.424
  138   2HB   NLE  18          HB2       NLE  18  27.885  10.465  10.465
  139   1HG   NLE  18          HG1       NLE  18  30.334  10.111  10.111
  140   2HG   NLE  18          HG2       NLE  18  30.539  11.723  11.723
  141   1HD   NLE  18          HD1       NLE  18  27.958  11.616  11.616
  142   2HD   NLE  18          HD2       NLE  18  29.120  10.966  10.966
  143   1HE   NLE  18          HE1       NLE  18  30.283  13.261  13.261
  144   2HE   NLE  18          HE2       NLE  18  28.671  13.697  13.697
  145   3HE   NLE  18          HE3       NLE  18  29.860  13.047  13.047
  146    H    GLU  19          HN        GLU  19  28.743   8.035   8.035
  147    HA   GLU  19          HA        GLU  19  29.888  10.016  10.016
  148   1HB   GLU  19          HB2       GLU  19  27.582   8.337   8.337
  149   2HB   GLU  19          HB1       GLU  19  28.651   7.786   7.786
  150   1HG   GLU  19          HG2       GLU  19  28.881  10.352  10.352
  151   2HG   GLU  19          HG1       GLU  19  27.364  10.473  10.473
  152    H    ARG  20          HN        ARG  20  30.209   6.732   6.732
  153    HA   ARG  20          HA        ARG  20  32.226   5.969   5.969
  154   1HB   ARG  20          HB2       ARG  20  32.333   3.889   3.889
  155   2HB   ARG  20          HB1       ARG  20  30.649   4.313   4.313
  156   1HG   ARG  20          HG2       ARG  20  30.742   5.490   5.490
  157   2HG   ARG  20          HG1       ARG  20  32.249   4.611   4.611
  158   1HD   ARG  20          HD2       ARG  20  30.357   3.356   3.356
  159   2HD   ARG  20          HD1       ARG  20  31.063   2.476   2.476
  160    HE   ARG  20          HE        ARG  20  28.621   4.164   4.164
  161   1HH1  ARG  20          HH21      ARG  20  28.520   3.325   3.325
  162   2HH1  ARG  20          HH22      ARG  20  28.168   1.630   1.630
  163   1HH2  ARG  20          HH11      ARG  20  28.985   1.071   1.071
  164   2HH2  ARG  20          HH12      ARG  20  28.432   0.354   0.354
  165    H    VAL  21          HN        VAL  21  32.233   6.970   6.970
  166    HA   VAL  21          HA        VAL  21  34.921   6.455   6.455
  167    HB   VAL  21          HB        VAL  21  34.857   8.740   8.740
  168   1HG1  VAL  21          HG11      VAL  21  33.348   6.263   6.263
  169   2HG1  VAL  21          HG13      VAL  21  32.668   7.646   7.646
  170   3HG1  VAL  21          HG12      VAL  21  34.348   7.183   7.183
  171   1HG2  VAL  21          HG21      VAL  21  33.060   9.614   9.614
  172   2HG2  VAL  21          HG23      VAL  21  32.741   9.860   9.860
  173   3HG2  VAL  21          HG22      VAL  21  31.928   8.560   8.560
  174    H    GLU  22          HN        GLU  22  33.536   8.657   8.657
  175    HA   GLU  22          HA        GLU  22  35.922  10.177  10.177
  176   1HB   GLU  22          HB2       GLU  22  34.071  11.245  11.245
  177   2HB   GLU  22          HB1       GLU  22  33.219   9.726   9.726
  178   1HG   GLU  22          HG2       GLU  22  34.146   9.374   9.374
  179   2HG   GLU  22          HG1       GLU  22  35.671  10.151  10.151
  180    H    TRP  23          HN        TRP  23  34.134   7.935   7.935
  181    HA   TRP  23          HA        TRP  23  36.254   7.266   7.266
  182   1HB   TRP  23          HB2       TRP  23  34.617   6.167   6.167
  183   2HB   TRP  23          HB1       TRP  23  33.552   6.940   6.940
  184    HD1  TRP  23          HD1       TRP  23  31.838   5.309   5.309
  185    HE1  TRP  23          HE1       TRP  23  31.746   2.780   2.780
  186    HE3  TRP  23          HE3       TRP  23  36.600   4.136   4.136
  187    HZ2  TRP  23          HZ2       TRP  23  33.545   0.524   0.524
  188    HZ3  TRP  23          HZ3       TRP  23  37.462   1.798   1.798
  189    HH2  TRP  23          HH2       TRP  23  35.925  -0.006  -0.006
  190    H    LEU  24          HN        LEU  24  34.798   5.252   5.252
  191    HA   LEU  24          HA        LEU  24  36.336   3.044   3.044
  192   1HB   LEU  24          HB2       LEU  24  34.885   4.510   4.510
  193   2HB   LEU  24          HB1       LEU  24  36.419   4.064   4.064
  194    HG   LEU  24          HG        LEU  24  35.012   2.219   2.219
  195   1HD1  LEU  24          HD12      LEU  24  37.232   1.807   1.807
  196   2HD1  LEU  24          HD11      LEU  24  36.066   1.184   1.184
  197   3HD1  LEU  24          HD13      LEU  24  36.162   0.477   0.477
  198   1HD2  LEU  24          HD21      LEU  24  33.821   3.022   3.022
  199   2HD2  LEU  24          HD23      LEU  24  33.067   2.251   2.251
  200   3HD2  LEU  24          HD22      LEU  24  33.923   1.274   1.274
  201    H    ARG  25          HN        ARG  25  37.434   6.124   6.124
  202    HA   ARG  25          HA        ARG  25  39.983   5.320   5.320
  203   1HB   ARG  25          HB2       ARG  25  39.087   7.578   7.578
  204   2HB   ARG  25          HB1       ARG  25  39.219   7.953   7.953
  205   1HG   ARG  25          HG2       ARG  25  41.743   7.140   7.140
  206   2HG   ARG  25          HG1       ARG  25  41.357   7.727   7.727
  207   1HD   ARG  25          HD2       ARG  25  40.371   9.602   9.602
  208   2HD   ARG  25          HD1       ARG  25  42.074   9.271   9.271
  209    HE   ARG  25          HE        ARG  25  41.012  10.325  10.325
  210   1HH1  ARG  25          HH11      ARG  25  43.275   9.542   9.542
  211   2HH1  ARG  25          HH12      ARG  25  44.580  10.506  10.506
  212   1HH2  ARG  25          HH21      ARG  25  42.813  11.634  11.634
  213   2HH2  ARG  25          HH22      ARG  25  44.319  11.688  11.688
  214    H    LYS  26          HN        LYS  26  39.225   6.812   6.812
  215    HA   LYS  26          HA        LYS  26  41.793   5.980   5.980
  216   1HB   LYS  26          HB2       LYS  26  39.341   7.363   7.363
  217   2HB   LYS  26          HB1       LYS  26  40.522   6.715   6.715
  218   1HG   LYS  26          HG2       LYS  26  41.478   8.778   8.778
  219   2HG   LYS  26          HG1       LYS  26  42.205   7.966   7.966
  220   1HD   LYS  26          HD2       LYS  26  40.917   9.100   9.100
  221   2HD   LYS  26          HD1       LYS  26  39.509   9.120   9.120
  222   1HE   LYS  26          HE2       LYS  26  41.144  10.728  10.728
  223   2HE   LYS  26          HE1       LYS  26  41.756  11.057  11.057
  224   1HZ   LYS  26          HZ2       LYS  26  38.868  11.114  11.114
  225   2HZ   LYS  26          HZ1       LYS  26  39.857  12.487  12.487
  226   3HZ   LYS  26          HZ3       LYS  26  39.653  11.756  11.756
  227    H    LYS  27          HN        LYS  27  41.080   5.000   5.000
  228    HA   LYS  27          HA        LYS  27  40.529   2.985   2.985
  229   1HB   LYS  27          HB2       LYS  27  38.223   3.534   3.534
  230   2HB   LYS  27          HB1       LYS  27  38.384   3.053   3.053
  231   1HG   LYS  27          HG2       LYS  27  37.254   1.292   1.292
  232   2HG   LYS  27          HG1       LYS  27  38.816   0.720   0.720
  233   1HD   LYS  27          HD2       LYS  27  39.805   0.830   0.830
  234   2HD   LYS  27          HD1       LYS  27  38.639   2.015   2.015
  235   1HE   LYS  27          HE2       LYS  27  37.704   0.205   0.205
  236   2HE   LYS  27          HE1       LYS  27  36.981  -0.067  -0.067
  237   1HZ   LYS  27          HZ3       LYS  27  39.421  -1.190  -1.190
  238   2HZ   LYS  27          HZ2       LYS  27  39.035  -1.551  -1.551
  239   3HZ   LYS  27          HZ1       LYS  27  37.995  -2.035  -2.035
  240    H    LEU  28          HN        LEU  28  39.443   1.770   1.770
  241    HA   LEU  28          HA        LEU  28  40.914  -0.589  -0.589
  242   1HB   LEU  28          HB2       LEU  28  39.611   1.043   1.043
  243   2HB   LEU  28          HB1       LEU  28  40.985   0.132   0.132
  244    HG   LEU  28          HG        LEU  28  38.756  -1.082  -1.082
  245   1HD1  LEU  28          HD12      LEU  28  38.978  -0.465  -0.465
  246   2HD1  LEU  28          HD11      LEU  28  38.611  -2.158  -2.158
  247   3HD1  LEU  28          HD13      LEU  28  37.555  -0.890  -0.890
  248   1HD2  LEU  28          HD21      LEU  28  41.041  -2.179  -2.179
  249   2HD2  LEU  28          HD23      LEU  28  39.748  -3.195  -3.195
  250   3HD2  LEU  28          HD22      LEU  28  40.873  -2.404  -2.404
  251    H    GLN  29          HN        GLN  29  41.950   2.551   2.551
  252    HA   GLN  29          HA        GLN  29  44.453   1.888   1.888
  253   1HB   GLN  29          HB2       GLN  29  43.155   4.250   4.250
  254   2HB   GLN  29          HB1       GLN  29  44.528   4.297   4.297
  255   1HG   GLN  29          HG2       GLN  29  45.270   3.372   3.372
  256   2HG   GLN  29          HG1       GLN  29  44.600   5.003   5.003
  257   1HE2  GLN  29          HE22      GLN  29  47.336   6.425   6.425
  258   2HE2  GLN  29          HE21      GLN  29  45.738   6.666   6.666
  259    H    ASP  30          HN        ASP  30  45.689   0.359   0.359
  260    HA   ASP  30          HA        ASP  30  47.294   1.132   1.132
  261   1HB   ASP  30          HB2       ASP  30  44.848   0.710   0.710
  262   2HB   ASP  30          HB1       ASP  30  45.385  -0.970  -0.970
  263    H    VAL  31          HN        VAL  31  45.713  -1.578  -1.578
  264    HA   VAL  31          HA        VAL  31  46.538  -3.732  -3.732
  265    HB   VAL  31          HB        VAL  31  48.580  -3.634  -3.634
  266   1HG1  VAL  31          HG11      VAL  31  46.453  -2.639  -2.639
  267   2HG1  VAL  31          HG13      VAL  31  47.016  -1.061  -1.061
  268   3HG1  VAL  31          HG12      VAL  31  47.909  -1.930  -1.930
  269   1HG2  VAL  31          HG21      VAL  31  49.722  -2.104  -2.104
  270   2HG2  VAL  31          HG23      VAL  31  50.085  -1.800  -1.800
  271   3HG2  VAL  31          HG22      VAL  31  48.935  -0.772  -0.772
  272    H    HIS  32          HN        HIS  32  47.061  -2.776  -2.776
  273    HA   HIS  32          HA        HIS  32  48.470  -3.289  -3.289
  274   1HB   HIS  32          HB2       HIS  32  49.069  -5.916  -5.916
  275   2HB   HIS  32          HB1       HIS  32  47.481  -5.340  -5.340
  276    HD1  HIS  32          HD1       HIS  32  49.053  -7.428  -7.428
  277    HD2  HIS  32          HD2       HIS  32  45.721  -4.924  -4.924
  278    HE1  HIS  32          HE1       HIS  32  47.632  -8.100  -8.100
  279    H    ASN  33          HN        ASN  33  50.052  -1.961  -1.961
  280    HA   ASN  33          HA        ASN  33  52.434  -3.636  -3.636
  281   1HB   ASN  33          HB2       ASN  33  53.287  -1.695  -1.695
  282   2HB   ASN  33          HB1       ASN  33  51.611  -1.950  -1.950
  283   1HD2  ASN  33          HD22      ASN  33  50.644   1.255   1.255
  284   2HD2  ASN  33          HD21      ASN  33  50.346  -0.091  -0.091
  285    H    PHE  34          HN        PHE  34  51.585  -3.020  -3.020
  286    HA   PHE  34          HA        PHE  34  52.450  -2.105  -2.105
  287   1HB   PHE  34          HB2       PHE  34  55.242  -2.289  -2.289
  288   2HB   PHE  34          HB1       PHE  34  54.267  -3.369  -3.369
  289    HD1  PHE  34          HD1       PHE  34  52.691  -5.013  -5.013
  290    HD2  PHE  34          HD2       PHE  34  56.326  -3.198  -3.198
  291    HE1  PHE  34          HE1       PHE  34  52.920  -6.788  -6.788
  292    HE2  PHE  34          HE2       PHE  34  56.555  -4.973  -4.973
  293    HZ   PHE  34          HZ        PHE  34  54.852  -6.768  -6.768

  Start of MODEL    3
    1   1H    SER   1          HT1       SER   1  25.371  17.130  17.130
    2   2H    SER   1          HT3       SER   1  24.808  18.702  18.702
    3   3H    SER   1          HT2       SER   1  24.847  18.100  18.100
    4    HA   SER   1          HA        SER   1  22.609  17.971  17.971
    5   1HB   SER   1          HB2       SER   1  23.584  16.591  16.591
    6   2HB   SER   1          HB1       SER   1  21.914  16.982  16.982
    7    HG   SER   1          HG        SER   1  22.619  18.631  18.631
    8    H    VAL   2          HN        VAL   2  24.000  16.493  16.493
    9    HA   VAL   2          HA        VAL   2  23.077  13.704  13.704
   10    HB   VAL   2          HB        VAL   2  24.977  12.963  12.963
   11   1HG1  VAL   2          HG11      VAL   2  25.618  14.449  14.449
   12   2HG1  VAL   2          HG13      VAL   2  26.724  13.330  13.330
   13   3HG1  VAL   2          HG12      VAL   2  25.189  12.746  12.746
   14   1HG2  VAL   2          HG23      VAL   2  25.164  15.744  15.744
   15   2HG2  VAL   2          HG22      VAL   2  26.257  14.497  14.497
   16   3HG2  VAL   2          HG21      VAL   2  26.601  15.312  15.312
   17    H    SER   3          HN        SER   3  21.654  12.943  12.943
   18    HA   SER   3          HA        SER   3  21.109  14.595  14.595
   19   1HB   SER   3          HB2       SER   3  19.509  13.089  13.089
   20   2HB   SER   3          HB1       SER   3  19.483  12.212  12.212
   21    HG   SER   3          HG        SER   3  19.114  14.438  14.438
   22    H    GLU   4          HN        GLU   4  23.490  12.756  12.756
   23    HA   GLU   4          HA        GLU   4  23.174  10.437  10.437
   24   1HB   GLU   4          HB2       GLU   4  25.130  10.796  10.796
   25   2HB   GLU   4          HB1       GLU   4  25.648  12.137  12.137
   26   1HG   GLU   4          HG2       GLU   4  25.672  10.493  10.493
   27   2HG   GLU   4          HG1       GLU   4  25.464   9.211   9.211
   28    H    ILE   5          HN        ILE   5  23.936  13.805  13.805
   29    HA   ILE   5          HA        ILE   5  24.266  13.080  13.080
   30    HB   ILE   5          HB        ILE   5  24.330  15.773  15.773
   31   1HG1  ILE   5          HG12      ILE   5  26.714  14.472  14.472
   32   2HG1  ILE   5          HG11      ILE   5  26.148  13.827  13.827
   33   1HG2  ILE   5          HG21      ILE   5  24.214  15.010  15.010
   34   2HG2  ILE   5          HG23      ILE   5  25.712  15.867  15.867
   35   3HG2  ILE   5          HG22      ILE   5  24.158  16.620  16.620
   36   1HD1  ILE   5          HD12      ILE   5  26.107  16.678  16.678
   37   2HD1  ILE   5          HD11      ILE   5  27.680  16.193  16.193
   38   3HD1  ILE   5          HD13      ILE   5  27.111  15.546  15.546
   39    H    GLN   6          HN        GLN   6  21.658  12.872  12.872
   40    HA   GLN   6          HA        GLN   6  20.020  14.578  14.578
   41   1HB   GLN   6          HB2       GLN   6  19.589  15.288  15.288
   42   2HB   GLN   6          HB1       GLN   6  19.461  13.621  13.621
   43   1HG   GLN   6          HG2       GLN   6  17.428  13.280  13.280
   44   2HG   GLN   6          HG1       GLN   6  17.595  14.858  14.858
   45   1HE2  GLN   6          HE22      GLN   6  15.345  14.894  14.894
   46   2HE2  GLN   6          HE21      GLN   6  15.450  13.731  13.731
   47    H    LEU   7          HN        LEU   7  20.156  11.441  11.441
   48    HA   LEU   7          HA        LEU   7  18.014  10.309  10.309
   49   1HB   LEU   7          HB2       LEU   7  19.931   9.346   9.346
   50   2HB   LEU   7          HB1       LEU   7  19.442   8.129   8.129
   51    HG   LEU   7          HG        LEU   7  17.909   8.119   8.119
   52   1HD1  LEU   7          HD13      LEU   7  17.138   7.812   7.812
   53   2HD1  LEU   7          HD12      LEU   7  16.439   9.422   9.422
   54   3HD1  LEU   7          HD11      LEU   7  15.896   8.113   8.113
   55   1HD2  LEU   7          HD23      LEU   7  18.325  10.626  10.626
   56   2HD2  LEU   7          HD22      LEU   7  16.676  10.043  10.043
   57   3HD2  LEU   7          HD21      LEU   7  17.107  10.923  10.923
   58   1HN   NLE   8          HN        NLE   8  21.113  11.148  11.148
   59    HA   NLE   8          HA        NLE   8  21.544   9.062   9.062
   60   1HB   NLE   8          HB1       NLE   8  23.565  10.601  10.601
   61   2HB   NLE   8          HB2       NLE   8  23.124  11.456  11.456
   62   1HG   NLE   8          HG1       NLE   8  23.171   9.170   9.170
   63   2HG   NLE   8          HG2       NLE   8  23.958   8.563   8.563
   64   1HD   NLE   8          HD1       NLE   8  25.776  10.169  10.169
   65   2HD   NLE   8          HD2       NLE   8  24.960  10.907  10.907
   66   1HE   NLE   8          HE1       NLE   8  25.590   7.966   7.966
   67   2HE   NLE   8          HE2       NLE   8  26.847   9.136   9.136
   68   3HE   NLE   8          HE3       NLE   8  25.369   9.065   9.065
   69    H    HIS   9          HN        HIS   9  20.258  12.236  12.236
   70    HA   HIS   9          HA        HIS   9  20.475  13.146  13.146
   71   1HB   HIS   9          HB2       HIS   9  19.662  15.034  15.034
   72   2HB   HIS   9          HB1       HIS   9  19.568  14.162  14.162
   73    HD1  HIS   9          HD1       HIS   9  17.442  15.057  15.057
   74    HD2  HIS   9          HD2       HIS   9  16.963  13.589  13.589
   75    HE1  HIS   9          HE1       HIS   9  14.952  15.047  15.047
   76    H    ASN  10          HN        ASN  10  17.871  11.520  11.520
   77    HA   ASN  10          HA        ASN  10  15.987  11.415  11.415
   78   1HB   ASN  10          HB2       ASN  10  16.367   9.408   9.408
   79   2HB   ASN  10          HB1       ASN  10  14.902   9.644   9.644
   80   1HD2  ASN  10          HD22      ASN  10  15.775  12.220  12.220
   81   2HD2  ASN  10          HD21      ASN  10  16.885  11.020  11.020
   82    H    LEU  11          HN        LEU  11  18.931   9.677   9.677
   83    HA   LEU  11          HA        LEU  11  18.203   7.892   7.892
   84   1HB   LEU  11          HB2       LEU  11  18.411   6.746   6.746
   85   2HB   LEU  11          HB1       LEU  11  20.132   7.129   7.129
   86    HG   LEU  11          HG        LEU  11  19.505   6.050   6.050
   87   1HD1  LEU  11          HD12      LEU  11  17.451   5.250   5.250
   88   2HD1  LEU  11          HD11      LEU  11  18.617   3.980   3.980
   89   3HD1  LEU  11          HD13      LEU  11  18.107   4.257   4.257
   90   1HD2  LEU  11          HD21      LEU  11  20.829   4.892   4.892
   91   2HD2  LEU  11          HD23      LEU  11  21.617   5.704   5.704
   92   3HD2  LEU  11          HD22      LEU  11  20.882   4.117   4.117
   93    H    GLY  12          HN        GLY  12  19.190   9.693   9.693
   94   1HA   GLY  12          HA2       GLY  12  22.149   9.867   9.867
   95   2HA   GLY  12          HA1       GLY  12  21.142  10.954  10.954
   96   1HN   ORN  13          HN        ORN  13  20.047   9.956   9.956
   97    HA   ORN  13          HA        ORN  13  20.548   9.071   9.071
   98   1HB   ORN  13          HB1       ORN  13  19.054   7.456   7.456
   99   2HB   ORN  13          HB2       ORN  13  19.987   6.742   6.742
  100   1HG   ORN  13          HG1       ORN  13  21.678   6.541   6.541
  101   2HG   ORN  13          HG2       ORN  13  20.082   6.172   6.172
  102   1HD   ORN  13          HD1       ORN  13  20.258   4.112   4.112
  103   2HD   ORN  13          HD2       ORN  13  20.253   4.848   4.848
  104   1HNE  ORN  13          HE1       ORN  13  22.885   5.097   5.097
  105    H    HIS  14          HN        HIS  14  22.991   9.901   9.901
  106    HA   HIS  14          HA        HIS  14  25.277   9.620   9.620
  107   1HB   HIS  14          HB2       HIS  14  23.937   7.980   7.980
  108   2HB   HIS  14          HB1       HIS  14  25.208   6.978   6.978
  109    HD1  HIS  14          HD1       HIS  14  24.640   9.729   9.729
  110    HD2  HIS  14          HD2       HIS  14  27.882   8.210   8.210
  111    HE1  HIS  14          HE1       HIS  14  26.721  10.691  10.691
  112    H    LEU  15          HN        LEU  15  26.701   8.990   8.990
  113    HA   LEU  15          HA        LEU  15  25.920   6.792   6.792
  114   1HB   LEU  15          HB2       LEU  15  27.696   7.575   7.575
  115   2HB   LEU  15          HB1       LEU  15  26.830   8.992   8.992
  116    HG   LEU  15          HG        LEU  15  28.860   8.366   8.366
  117   1HD1  LEU  15          HD12      LEU  15  29.774   7.202   7.202
  118   2HD1  LEU  15          HD11      LEU  15  30.089   8.853   8.853
  119   3HD1  LEU  15          HD13      LEU  15  30.849   8.245   8.245
  120   1HD2  LEU  15          HD23      LEU  15  27.742  10.579  10.579
  121   2HD2  LEU  15          HD22      LEU  15  28.989  10.622  10.622
  122   3HD2  LEU  15          HD21      LEU  15  29.445  10.607  10.607
  123    H    ASN  16          HN        ASN  16  26.947   6.412   6.412
  124    HA   ASN  16          HA        ASN  16  29.475   4.959   4.959
  125   1HB   ASN  16          HB2       ASN  16  29.707   4.875   4.875
  126   2HB   ASN  16          HB1       ASN  16  28.898   6.419   6.419
  127   1HD2  ASN  16          HD22      ASN  16  25.679   4.512   4.512
  128   2HD2  ASN  16          HD21      ASN  16  26.269   5.035   5.035
  129    H    GLU  17          HN        GLU  17  26.229   4.279   4.279
  130    HA   GLU  17          HA        GLU  17  26.237   1.585   1.585
  131   1HB   GLU  17          HB2       GLU  17  24.326   3.055   3.055
  132   2HB   GLU  17          HB1       GLU  17  24.052   1.404   1.404
  133   1HG   GLU  17          HG2       GLU  17  24.078   2.135   2.135
  134   2HG   GLU  17          HG1       GLU  17  24.499   3.776   3.776
  135   1HN   NLE  18          HN        NLE  18  26.536   2.994   2.994
  136    HA   NLE  18          HA        NLE  18  27.007   0.281   0.281
  137   1HB   NLE  18          HB1       NLE  18  27.042   2.840   2.840
  138   2HB   NLE  18          HB2       NLE  18  25.515   2.101   2.101
  139   1HG   NLE  18          HG1       NLE  18  25.992   0.102   0.102
  140   2HG   NLE  18          HG2       NLE  18  27.685   0.550   0.550
  141   1HD   NLE  18          HD1       NLE  18  25.696   2.485   2.485
  142   2HD   NLE  18          HD2       NLE  18  25.789   0.943   0.943
  143   1HE   NLE  18          HE1       NLE  18  27.395   2.292   2.292
  144   2HE   NLE  18          HE2       NLE  18  28.351   1.317   1.317
  145   3HE   NLE  18          HE3       NLE  18  27.964   2.991   2.991
  146    H    GLU  19          HN        GLU  19  28.968   1.607   1.607
  147    HA   GLU  19          HA        GLU  19  31.164   2.465   2.465
  148   1HB   GLU  19          HB2       GLU  19  30.566   2.503   2.503
  149   2HB   GLU  19          HB1       GLU  19  32.196   1.895   1.895
  150   1HG   GLU  19          HG2       GLU  19  31.038   4.496   4.496
  151   2HG   GLU  19          HG1       GLU  19  32.269   4.327   4.327
  152    H    ARG  20          HN        ARG  20  30.514  -0.364  -0.364
  153    HA   ARG  20          HA        ARG  20  32.907  -1.736  -1.736
  154   1HB   ARG  20          HB2       ARG  20  30.801  -3.119  -3.119
  155   2HB   ARG  20          HB1       ARG  20  32.551  -3.332  -3.332
  156   1HG   ARG  20          HG2       ARG  20  31.020  -0.946  -0.946
  157   2HG   ARG  20          HG1       ARG  20  31.865  -2.166  -2.166
  158   1HD   ARG  20          HD2       ARG  20  33.923  -1.445  -1.445
  159   2HD   ARG  20          HD1       ARG  20  32.993   0.044   0.044
  160    HE   ARG  20          HE        ARG  20  33.689   0.563   0.563
  161   1HH1  ARG  20          HH21      ARG  20  32.477  -0.658  -0.658
  162   2HH1  ARG  20          HH22      ARG  20  33.429  -2.001  -2.001
  163   1HH2  ARG  20          HH11      ARG  20  35.364  -2.120  -2.120
  164   2HH2  ARG  20          HH12      ARG  20  35.065  -2.827  -2.827
  165    H    VAL  21          HN        VAL  21  29.330  -2.436  -2.436
  166    HA   VAL  21          HA        VAL  21  29.469  -4.608  -4.608
  167    HB   VAL  21          HB        VAL  21  27.293  -3.826  -3.826
  168   1HG1  VAL  21          HG12      VAL  21  27.814  -1.401  -1.401
  169   2HG1  VAL  21          HG11      VAL  21  26.318  -1.728  -1.728
  170   3HG1  VAL  21          HG13      VAL  21  27.809  -1.417  -1.417
  171   1HG2  VAL  21          HG23      VAL  21  27.886  -4.278  -4.278
  172   2HG2  VAL  21          HG22      VAL  21  26.537  -4.877  -4.877
  173   3HG2  VAL  21          HG21      VAL  21  26.439  -3.290  -3.290
  174    H    GLU  22          HN        GLU  22  30.204  -1.293  -1.293
  175    HA   GLU  22          HA        GLU  22  30.367  -1.328  -1.328
  176   1HB   GLU  22          HB2       GLU  22  30.435   0.888   0.888
  177   2HB   GLU  22          HB1       GLU  22  31.064   0.468   0.468
  178   1HG   GLU  22          HG2       GLU  22  33.279   0.606   0.606
  179   2HG   GLU  22          HG1       GLU  22  32.916   0.181   0.181
  180    H    TRP  23          HN        TRP  23  32.838  -0.998  -0.998
  181    HA   TRP  23          HA        TRP  23  34.964  -1.863  -1.863
  182   1HB   TRP  23          HB2       TRP  23  36.190  -0.970  -0.970
  183   2HB   TRP  23          HB1       TRP  23  34.651  -0.423  -0.423
  184    HD1  TRP  23          HD1       TRP  23  34.619  -0.685  -0.685
  185    HE1  TRP  23          HE1       TRP  23  35.539  -2.381  -2.381
  186    HE3  TRP  23          HE3       TRP  23  36.622  -4.045  -4.045
  187    HZ2  TRP  23          HZ2       TRP  23  36.979  -4.874  -4.874
  188    HZ3  TRP  23          HZ3       TRP  23  37.795  -6.086  -6.086
  189    HH2  TRP  23          HH2       TRP  23  37.955  -6.508  -6.508
  190    H    LEU  24          HN        LEU  24  33.474  -3.452  -3.452
  191    HA   LEU  24          HA        LEU  24  34.756  -5.889  -5.889
  192   1HB   LEU  24          HB2       LEU  24  32.250  -4.853  -4.853
  193   2HB   LEU  24          HB1       LEU  24  31.946  -6.368  -6.368
  194    HG   LEU  24          HG        LEU  24  33.321  -7.592  -7.592
  195   1HD1  LEU  24          HD12      LEU  24  34.405  -4.866  -4.866
  196   2HD1  LEU  24          HD11      LEU  24  34.592  -6.180  -6.180
  197   3HD1  LEU  24          HD13      LEU  24  35.283  -6.323  -6.323
  198   1HD2  LEU  24          HD21      LEU  24  31.476  -5.580  -5.580
  199   2HD2  LEU  24          HD23      LEU  24  31.496  -7.332  -7.332
  200   3HD2  LEU  24          HD22      LEU  24  32.588  -6.320  -6.320
  201    H    ARG  25          HN        ARG  25  32.295  -4.773  -4.773
  202    HA   ARG  25          HA        ARG  25  31.667  -7.106  -7.106
  203   1HB   ARG  25          HB2       ARG  25  30.675  -4.923  -4.923
  204   2HB   ARG  25          HB1       ARG  25  32.214  -4.386  -4.386
  205   1HG   ARG  25          HG2       ARG  25  31.833  -5.459  -5.459
  206   2HG   ARG  25          HG1       ARG  25  31.382  -6.947  -6.947
  207   1HD   ARG  25          HD2       ARG  25  29.188  -5.515  -5.515
  208   2HD   ARG  25          HD1       ARG  25  29.655  -4.704  -4.704
  209    HE   ARG  25          HE        ARG  25  29.505  -7.665  -7.665
  210   1HH1  ARG  25          HH21      ARG  25  29.549  -6.847  -6.847
  211   2HH1  ARG  25          HH22      ARG  25  27.923  -6.446  -6.446
  212   1HH2  ARG  25          HH11      ARG  25  26.821  -6.168  -6.168
  213   2HH2  ARG  25          HH12      ARG  25  26.378  -6.062  -6.062
  214    H    LYS  26          HN        LYS  26  34.493  -5.009  -5.009
  215    HA   LYS  26          HA        LYS  26  35.533  -6.866  -6.866
  216   1HB   LYS  26          HB2       LYS  26  36.268  -4.220  -4.220
  217   2HB   LYS  26          HB1       LYS  26  37.630  -5.220  -5.220
  218   1HG   LYS  26          HG2       LYS  26  37.061  -5.107  -5.107
  219   2HG   LYS  26          HG1       LYS  26  35.331  -5.186  -5.186
  220   1HD   LYS  26          HD2       LYS  26  35.122  -2.913  -2.913
  221   2HD   LYS  26          HD1       LYS  26  36.719  -2.715  -2.715
  222   1HE   LYS  26          HE2       LYS  26  37.784  -3.046  -3.046
  223   2HE   LYS  26          HE1       LYS  26  36.218  -3.361  -3.361
  224   1HZ   LYS  26          HZ1       LYS  26  35.709  -1.026  -1.026
  225   2HZ   LYS  26          HZ3       LYS  26  37.382  -0.838  -0.838
  226   3HZ   LYS  26          HZ2       LYS  26  36.392  -1.166  -1.166
  227    H    LYS  27          HN        LYS  27  35.149  -8.094  -8.094
  228    HA   LYS  27          HA        LYS  27  37.984  -8.611  -8.611
  229   1HB   LYS  27          HB2       LYS  27  36.016  -7.786  -7.786
  230   2HB   LYS  27          HB1       LYS  27  35.736  -9.526  -9.526
  231   1HG   LYS  27          HG2       LYS  27  38.297  -8.050  -8.050
  232   2HG   LYS  27          HG1       LYS  27  37.294  -8.994  -8.994
  233   1HD   LYS  27          HD2       LYS  27  37.779 -11.030 -11.030
  234   2HD   LYS  27          HD1       LYS  27  38.851 -10.071 -10.071
  235   1HE   LYS  27          HE2       LYS  27  40.479 -10.645 -10.645
  236   2HE   LYS  27          HE1       LYS  27  39.742  -9.453  -9.453
  237   1HZ   LYS  27          HZ1       LYS  27  38.179 -11.545 -11.545
  238   2HZ   LYS  27          HZ3       LYS  27  39.623 -12.354 -12.354
  239   3HZ   LYS  27          HZ2       LYS  27  39.584 -11.222 -11.222
  240    H    LEU  28          HN        LEU  28  34.911 -10.007 -10.007
  241    HA   LEU  28          HA        LEU  28  36.053 -12.744 -12.744
  242   1HB   LEU  28          HB2       LEU  28  33.415 -11.625 -11.625
  243   2HB   LEU  28          HB1       LEU  28  33.447 -12.749 -12.749
  244    HG   LEU  28          HG        LEU  28  34.923 -13.882 -13.882
  245   1HD1  LEU  28          HD13      LEU  28  32.309 -12.580 -12.580
  246   2HD1  LEU  28          HD12      LEU  28  32.643 -14.164 -14.164
  247   3HD1  LEU  28          HD11      LEU  28  33.730 -12.812 -12.812
  248   1HD2  LEU  28          HD21      LEU  28  33.108 -14.630 -14.630
  249   2HD2  LEU  28          HD23      LEU  28  33.951 -15.701 -15.701
  250   3HD2  LEU  28          HD22      LEU  28  32.345 -15.094 -15.094
  251    H    GLN  29          HN        GLN  29  35.092 -10.243 -10.243
  252    HA   GLN  29          HA        GLN  29  35.078 -11.836 -11.836
  253   1HB   GLN  29          HB2       GLN  29  34.178  -9.540  -9.540
  254   2HB   GLN  29          HB1       GLN  29  35.799  -8.909  -8.909
  255   1HG   GLN  29          HG2       GLN  29  36.566  -9.674  -9.674
  256   2HG   GLN  29          HG1       GLN  29  35.066 -10.559 -10.559
  257   1HE2  GLN  29          HE22      GLN  29  34.950  -6.446  -6.446
  258   2HE2  GLN  29          HE21      GLN  29  36.094  -7.181  -7.181
  259    H    ASP  30          HN        ASP  30  37.604 -10.977 -10.977
  260    HA   ASP  30          HA        ASP  30  39.656 -11.302 -11.302
  261   1HB   ASP  30          HB2       ASP  30  41.092 -10.865 -10.865
  262   2HB   ASP  30          HB1       ASP  30  40.556  -9.584  -9.584
  263    H    VAL  31          HN        VAL  31  38.375 -13.622 -13.622
  264    HA   VAL  31          HA        VAL  31  40.123 -15.203 -15.203
  265    HB   VAL  31          HB        VAL  31  37.307 -15.711 -15.711
  266   1HG1  VAL  31          HG13      VAL  31  39.366 -17.538 -17.538
  267   2HG1  VAL  31          HG12      VAL  31  37.674 -17.760 -17.760
  268   3HG1  VAL  31          HG11      VAL  31  38.163 -17.872 -17.872
  269   1HG2  VAL  31          HG23      VAL  31  37.867 -14.189 -14.189
  270   2HG2  VAL  31          HG22      VAL  31  36.677 -15.469 -15.469
  271   3HG2  VAL  31          HG21      VAL  31  38.331 -15.685 -15.685
  272    H    HIS  32          HN        HIS  32  41.769 -15.371 -15.371
  273    HA   HIS  32          HA        HIS  32  41.019 -16.803 -16.803
  274   1HB   HIS  32          HB2       HIS  32  43.540 -16.490 -16.490
  275   2HB   HIS  32          HB1       HIS  32  42.543 -15.036 -15.036
  276    HD1  HIS  32          HD1       HIS  32  44.777 -17.047 -17.047
  277    HD2  HIS  32          HD2       HIS  32  43.367 -13.153 -13.153
  278    HE1  HIS  32          HE1       HIS  32  45.952 -15.639 -15.639
  279    H    ASN  33          HN        ASN  33  41.399 -17.800 -17.800
  280    HA   ASN  33          HA        ASN  33  43.485 -19.794 -19.794
  281   1HB   ASN  33          HB2       ASN  33  41.612 -18.868 -18.868
  282   2HB   ASN  33          HB1       ASN  33  41.523 -20.627 -20.627
  283   1HD2  ASN  33          HD22      ASN  33  44.712 -21.129 -21.129
  284   2HD2  ASN  33          HD21      ASN  33  43.341 -21.847 -21.847
  285    H    PHE  34          HN        PHE  34  39.996 -19.779 -19.779
  286    HA   PHE  34          HA        PHE  34  40.057 -22.661 -22.661
  287   1HB   PHE  34          HB2       PHE  34  38.115 -21.767 -21.767
  288   2HB   PHE  34          HB1       PHE  34  37.786 -20.650 -20.650
  289    HD1  PHE  34          HD2       PHE  34  38.021 -24.260 -24.260
  290    HD2  PHE  34          HD1       PHE  34  36.613 -21.357 -21.357
  291    HE1  PHE  34          HE2       PHE  34  36.733 -26.027 -26.027
  292    HE2  PHE  34          HE1       PHE  34  35.325 -23.124 -23.124
  293    HZ   PHE  34          HZ        PHE  34  35.385 -25.459 -25.459

  Start of MODEL    4
    1   1H    SER   1          HT3       SER   1  -1.492  10.113  10.113
    2   2H    SER   1          HT2       SER   1  -2.565   8.817   8.817
    3   3H    SER   1          HT1       SER   1  -1.001   8.529   8.529
    4    HA   SER   1          HA        SER   1  -0.820   7.917   7.917
    5   1HB   SER   1          HB2       SER   1  -1.711   9.557   9.557
    6   2HB   SER   1          HB1       SER   1  -2.904   8.621   8.621
    7    HG   SER   1          HG        SER   1  -2.646  11.260  11.260
    8    H    VAL   2          HN        VAL   2   1.227   8.723   8.723
    9    HA   VAL   2          HA        VAL   2   2.329  11.079  11.079
   10    HB   VAL   2          HB        VAL   2   2.314  10.404  10.404
   11   1HG1  VAL   2          HG13      VAL   2   4.908  11.159  11.159
   12   2HG1  VAL   2          HG12      VAL   2   4.597  11.486  11.486
   13   3HG1  VAL   2          HG11      VAL   2   4.619   9.825   9.825
   14   1HG2  VAL   2          HG23      VAL   2   2.747  12.855  12.855
   15   2HG2  VAL   2          HG22      VAL   2   1.352  12.459  12.459
   16   3HG2  VAL   2          HG21      VAL   2   2.884  12.904  12.904
   17    H    SER   3          HN        SER   3   4.716  10.932  10.932
   18    HA   SER   3          HA        SER   3   5.420   8.224   8.224
   19   1HB   SER   3          HB2       SER   3   5.904  10.698  10.698
   20   2HB   SER   3          HB1       SER   3   7.411  10.393  10.393
   21    HG   SER   3          HG        SER   3   6.995   9.575   9.575
   22    H    GLU   4          HN        GLU   4   5.292   8.478   8.478
   23    HA   GLU   4          HA        GLU   4   7.810   8.983   8.983
   24   1HB   GLU   4          HB2       GLU   4   5.332   8.356   8.356
   25   2HB   GLU   4          HB1       GLU   4   6.159   6.814   6.814
   26   1HG   GLU   4          HG2       GLU   4   7.744   9.159   9.159
   27   2HG   GLU   4          HG1       GLU   4   6.279   8.908   8.908
   28    H    ILE   5          HN        ILE   5   6.397   5.962   5.962
   29    HA   ILE   5          HA        ILE   5   8.882   4.494   4.494
   30    HB   ILE   5          HB        ILE   5   6.589   3.482   3.482
   31   1HG1  ILE   5          HG12      ILE   5   6.031   2.589   2.589
   32   2HG1  ILE   5          HG11      ILE   5   6.618   4.218   4.218
   33   1HG2  ILE   5          HG23      ILE   5   8.913   2.305   2.305
   34   2HG2  ILE   5          HG22      ILE   5   8.094   1.915   1.915
   35   3HG2  ILE   5          HG21      ILE   5   7.411   1.381   1.381
   36   1HD1  ILE   5          HD12      ILE   5   5.000   4.675   4.675
   37   2HD1  ILE   5          HD11      ILE   5   4.145   3.355   3.355
   38   3HD1  ILE   5          HD13      ILE   5   4.484   4.844   4.844
   39    H    GLN   6          HN        GLN   6   9.977   6.243   6.243
   40    HA   GLN   6          HA        GLN   6  10.520   4.973   4.973
   41   1HB   GLN   6          HB2       GLN   6   8.501   6.478   6.478
   42   2HB   GLN   6          HB1       GLN   6   9.541   7.844   7.844
   43   1HG   GLN   6          HG2       GLN   6  11.128   7.053   7.053
   44   2HG   GLN   6          HG1       GLN   6   9.899   5.880   5.880
   45   1HE2  GLN   6          HE22      GLN   6   8.599   8.376   8.376
   46   2HE2  GLN   6          HE21      GLN   6   9.295   6.832   6.832
   47    H    LEU   7          HN        LEU   7  10.959   7.999   7.999
   48    HA   LEU   7          HA        LEU   7  13.641   8.358   8.358
   49   1HB   LEU   7          HB2       LEU   7  11.913   9.710   9.710
   50   2HB   LEU   7          HB1       LEU   7  13.654   9.871   9.871
   51    HG   LEU   7          HG        LEU   7  12.867  11.704  11.704
   52   1HD1  LEU   7          HD12      LEU   7  14.974  10.035  10.035
   53   2HD1  LEU   7          HD11      LEU   7  14.107  10.056  10.056
   54   3HD1  LEU   7          HD13      LEU   7  14.664  11.567  11.567
   55   1HD2  LEU   7          HD21      LEU   7  11.521   9.441   9.441
   56   2HD2  LEU   7          HD23      LEU   7  10.930  11.071  11.071
   57   3HD2  LEU   7          HD22      LEU   7  12.084  10.793  10.793
   58   1HN   NLE   8          HN        NLE   8  12.304   6.240   6.240
   59    HA   NLE   8          HA        NLE   8  14.648   5.953   5.953
   60   1HB   NLE   8          HB1       NLE   8  12.642   3.804   3.804
   61   2HB   NLE   8          HB2       NLE   8  11.942   5.399   5.399
   62   1HG   NLE   8          HG1       NLE   8  14.188   5.506   5.506
   63   2HG   NLE   8          HG2       NLE   8  13.744   3.804   3.804
   64   1HD   NLE   8          HD1       NLE   8  11.312   5.154   5.154
   65   2HD   NLE   8          HD2       NLE   8  12.436   6.161   6.161
   66   1HE   NLE   8          HE1       NLE   8  12.540   3.197   3.197
   67   2HE   NLE   8          HE2       NLE   8  11.209   4.091   4.091
   68   3HE   NLE   8          HE3       NLE   8  12.876   4.496   4.496
   69    H    HIS   9          HN        HIS   9  13.366   4.793   4.793
   70    HA   HIS   9          HA        HIS   9  14.743   2.247   2.247
   71   1HB   HIS   9          HB2       HIS   9  13.330   2.000   2.000
   72   2HB   HIS   9          HB1       HIS   9  12.804   3.659   3.659
   73    HD1  HIS   9          HD1       HIS   9  15.482   1.683   1.683
   74    HD2  HIS   9          HD2       HIS   9  13.578   5.390   5.390
   75    HE1  HIS   9          HE1       HIS   9  16.265   2.784   2.784
   76    H    ASN  10          HN        ASN  10  15.756   5.471   5.471
   77    HA   ASN  10          HA        ASN  10  17.940   5.000   5.000
   78   1HB   ASN  10          HB2       ASN  10  17.328   7.329   7.329
   79   2HB   ASN  10          HB1       ASN  10  18.623   7.312   7.312
   80   1HD2  ASN  10          HD22      ASN  10  14.723   7.478   7.478
   81   2HD2  ASN  10          HD21      ASN  10  15.050   6.850   6.850
   82    H    LEU  11          HN        LEU  11  17.503   5.127   5.127
   83    HA   LEU  11          HA        LEU  11  20.138   5.307   5.307
   84   1HB   LEU  11          HB2       LEU  11  17.741   4.745   4.745
   85   2HB   LEU  11          HB1       LEU  11  18.546   3.181   3.181
   86    HG   LEU  11          HG        LEU  11  20.589   4.614   4.614
   87   1HD1  LEU  11          HD13      LEU  11  18.551   6.594   6.594
   88   2HD1  LEU  11          HD12      LEU  11  18.883   6.426   6.426
   89   3HD1  LEU  11          HD11      LEU  11  20.193   6.810   6.810
   90   1HD2  LEU  11          HD23      LEU  11  18.769   3.040   3.040
   91   2HD2  LEU  11          HD22      LEU  11  20.048   3.882   3.882
   92   3HD2  LEU  11          HD21      LEU  11  18.426   4.570   4.570
   93    H    GLY  12          HN        GLY  12  18.450   2.204   2.204
   94   1HA   GLY  12          HA2       GLY  12  19.324   0.280   0.280
   95   2HA   GLY  12          HA1       GLY  12  20.851   1.137   1.137
   96   1HN   ORN  13          HN        ORN  13  19.116   0.663   0.663
   97    HA   ORN  13          HA        ORN  13  19.690  -0.653  -0.653
   98   1HB   ORN  13          HB1       ORN  13  22.092  -1.736  -1.736
   99   2HB   ORN  13          HB2       ORN  13  20.479  -2.296  -2.296
  100   1HG   ORN  13          HG1       ORN  13  20.212  -3.448  -3.448
  101   2HG   ORN  13          HG2       ORN  13  21.011  -2.200  -2.200
  102   1HD   ORN  13          HD1       ORN  13  22.919  -3.428  -3.428
  103   2HD   ORN  13          HD2       ORN  13  22.094  -4.677  -4.677
  104   1HNE  ORN  13          HE1       ORN  13  22.941  -3.656  -3.656
  105    H    HIS  14          HN        HIS  14  21.526   1.691   1.691
  106    HA   HIS  14          HA        HIS  14  23.020   3.250   3.250
  107   1HB   HIS  14          HB2       HIS  14  21.660   2.594   2.594
  108   2HB   HIS  14          HB1       HIS  14  23.127   1.709   1.709
  109    HD1  HIS  14          HD1       HIS  14  24.151   4.540   4.540
  110    HD2  HIS  14          HD2       HIS  14  23.054   3.997   3.997
  111    HE1  HIS  14          HE1       HIS  14  25.027   6.549   6.549
  112    H    LEU  15          HN        LEU  15  25.214   3.296   3.296
  113    HA   LEU  15          HA        LEU  15  26.600   0.719   0.719
  114   1HB   LEU  15          HB2       LEU  15  28.058   3.313   3.313
  115   2HB   LEU  15          HB1       LEU  15  28.168   1.860   1.860
  116    HG   LEU  15          HG        LEU  15  26.001   3.970   3.970
  117   1HD1  LEU  15          HD12      LEU  15  28.345   3.719   3.719
  118   2HD1  LEU  15          HD11      LEU  15  27.172   2.948   2.948
  119   3HD1  LEU  15          HD13      LEU  15  26.925   4.613   4.613
  120   1HD2  LEU  15          HD21      LEU  15  25.805   1.118   1.118
  121   2HD2  LEU  15          HD23      LEU  15  24.530   2.337   2.337
  122   3HD2  LEU  15          HD22      LEU  15  25.471   2.047   2.047
  123    H    ASN  16          HN        ASN  16  25.796   1.990   1.990
  124    HA   ASN  16          HA        ASN  16  28.383   2.474   2.474
  125   1HB   ASN  16          HB2       ASN  16  25.746   3.170   3.170
  126   2HB   ASN  16          HB1       ASN  16  26.134   1.951   1.951
  127   1HD2  ASN  16          HD22      ASN  16  27.594   4.628   4.628
  128   2HD2  ASN  16          HD21      ASN  16  26.314   3.515   3.515
  129    H    GLU  17          HN        GLU  17  26.602  -0.243  -0.243
  130    HA   GLU  17          HA        GLU  17  27.294  -1.965  -1.965
  131   1HB   GLU  17          HB2       GLU  17  26.604  -2.907  -2.907
  132   2HB   GLU  17          HB1       GLU  17  26.302  -3.722  -3.722
  133   1HG   GLU  17          HG2       GLU  17  24.430  -2.484  -2.484
  134   2HG   GLU  17          HG1       GLU  17  25.062  -1.039  -1.039
  135   1HN   NLE  18          HN        NLE  18  28.734  -0.985  -0.985
  136    HA   NLE  18          HA        NLE  18  30.827  -3.065  -3.065
  137   1HB   NLE  18          HB1       NLE  18  31.056  -0.744  -0.744
  138   2HB   NLE  18          HB2       NLE  18  29.678  -1.815  -1.815
  139   1HG   NLE  18          HG1       NLE  18  32.154  -3.292  -3.292
  140   2HG   NLE  18          HG2       NLE  18  32.267  -2.237  -2.237
  141   1HD   NLE  18          HD1       NLE  18  29.957  -3.203  -3.203
  142   2HD   NLE  18          HD2       NLE  18  30.294  -4.461  -4.461
  143   1HE   NLE  18          HE1       NLE  18  32.581  -4.674  -4.674
  144   2HE   NLE  18          HE2       NLE  18  31.743  -3.842  -3.842
  145   3HE   NLE  18          HE3       NLE  18  31.142  -5.393  -5.393
  146    H    GLU  19          HN        GLU  19  30.545  -1.000  -1.000
  147    HA   GLU  19          HA        GLU  19  32.986   0.635   0.635
  148   1HB   GLU  19          HB2       GLU  19  30.535   0.984   0.984
  149   2HB   GLU  19          HB1       GLU  19  31.831   0.957   0.957
  150   1HG   GLU  19          HG2       GLU  19  33.064   2.659   2.659
  151   2HG   GLU  19          HG1       GLU  19  31.752   2.702   2.702
  152    H    ARG  20          HN        ARG  20  31.853  -2.160  -2.160
  153    HA   ARG  20          HA        ARG  20  34.274  -2.115  -2.115
  154   1HB   ARG  20          HB2       ARG  20  32.443  -4.479  -4.479
  155   2HB   ARG  20          HB1       ARG  20  33.185  -3.639  -3.639
  156   1HG   ARG  20          HG2       ARG  20  30.795  -2.725  -2.725
  157   2HG   ARG  20          HG1       ARG  20  30.811  -3.199  -3.199
  158   1HD   ARG  20          HD2       ARG  20  32.778  -1.188  -1.188
  159   2HD   ARG  20          HD1       ARG  20  31.369  -0.615  -0.615
  160    HE   ARG  20          HE        ARG  20  30.166  -0.498  -0.498
  161   1HH1  ARG  20          HH11      ARG  20  30.066  -2.500  -2.500
  162   2HH1  ARG  20          HH12      ARG  20  31.381  -2.389  -2.389
  163   1HH2  ARG  20          HH21      ARG  20  33.217  -0.195  -0.195
  164   2HH2  ARG  20          HH22      ARG  20  33.164  -1.083  -1.083
  165    H    VAL  21          HN        VAL  21  32.834  -4.690  -4.690
  166    HA   VAL  21          HA        VAL  21  35.176  -6.235  -6.235
  167    HB   VAL  21          HB        VAL  21  33.131  -6.908  -6.908
  168   1HG1  VAL  21          HG11      VAL  21  33.116  -4.265  -4.265
  169   2HG1  VAL  21          HG13      VAL  21  33.523  -5.174  -5.174
  170   3HG1  VAL  21          HG12      VAL  21  32.043  -5.542  -5.542
  171   1HG2  VAL  21          HG23      VAL  21  35.661  -7.323  -7.323
  172   2HG2  VAL  21          HG22      VAL  21  34.257  -7.983  -7.983
  173   3HG2  VAL  21          HG21      VAL  21  35.012  -6.499  -6.499
  174    H    GLU  22          HN        GLU  22  34.480  -3.088  -3.088
  175    HA   GLU  22          HA        GLU  22  36.712  -2.745  -2.745
  176   1HB   GLU  22          HB2       GLU  22  35.308  -0.924  -0.924
  177   2HB   GLU  22          HB1       GLU  22  34.681  -1.073  -1.073
  178   1HG   GLU  22          HG2       GLU  22  36.299   0.317   0.317
  179   2HG   GLU  22          HG1       GLU  22  37.505  -0.104  -0.104
  180    H    TRP  23          HN        TRP  23  36.157  -1.300  -1.300
  181    HA   TRP  23          HA        TRP  23  38.874  -0.730  -0.730
  182   1HB   TRP  23          HB2       TRP  23  38.018   0.325   0.325
  183   2HB   TRP  23          HB1       TRP  23  36.514   0.094   0.094
  184    HD1  TRP  23          HD1       TRP  23  34.719  -0.510  -0.510
  185    HE1  TRP  23          HE1       TRP  23  34.506  -1.958  -1.958
  186    HE3  TRP  23          HE3       TRP  23  39.438  -2.140  -2.140
  187    HZ2  TRP  23          HZ2       TRP  23  36.195  -3.601  -3.601
  188    HZ3  TRP  23          HZ3       TRP  23  40.190  -3.630  -3.630
  189    HH2  TRP  23          HH2       TRP  23  38.556  -4.371  -4.371
  190    H    LEU  24          HN        LEU  24  36.808  -3.205  -3.205
  191    HA   LEU  24          HA        LEU  24  38.586  -4.649  -4.649
  192   1HB   LEU  24          HB2       LEU  24  36.213  -5.302  -5.302
  193   2HB   LEU  24          HB1       LEU  24  37.235  -6.664  -6.664
  194    HG   LEU  24          HG        LEU  24  37.153  -5.328  -5.328
  195   1HD1  LEU  24          HD12      LEU  24  35.467  -3.770  -3.770
  196   2HD1  LEU  24          HD11      LEU  24  34.339  -5.120  -5.120
  197   3HD1  LEU  24          HD13      LEU  24  35.012  -4.402  -4.402
  198   1HD2  LEU  24          HD22      LEU  24  36.432  -7.777  -7.777
  199   2HD2  LEU  24          HD21      LEU  24  36.097  -7.222  -7.222
  200   3HD2  LEU  24          HD23      LEU  24  34.844  -7.123  -7.123
  201    H    ARG  25          HN        ARG  25  38.392  -4.623  -4.623
  202    HA   ARG  25          HA        ARG  25  40.124  -6.829  -6.829
  203   1HB   ARG  25          HB2       ARG  25  38.738  -5.638  -5.638
  204   2HB   ARG  25          HB1       ARG  25  39.899  -4.312  -4.312
  205   1HG   ARG  25          HG2       ARG  25  41.391  -5.443  -5.443
  206   2HG   ARG  25          HG1       ARG  25  41.196  -6.912  -6.912
  207   1HD   ARG  25          HD2       ARG  25  38.985  -6.099  -6.099
  208   2HD   ARG  25          HD1       ARG  25  40.426  -6.857  -6.857
  209    HE   ARG  25          HE        ARG  25  38.367  -8.259  -8.259
  210   1HH1  ARG  25          HH11      ARG  25  39.746  -8.885  -8.885
  211   2HH1  ARG  25          HH12      ARG  25  40.953 -10.051 -10.051
  212   1HH2  ARG  25          HH21      ARG  25  40.809  -9.342  -9.342
  213   2HH2  ARG  25          HH22      ARG  25  41.553 -10.313 -10.313
  214    H    LYS  26          HN        LYS  26  40.891  -3.347  -3.347
  215    HA   LYS  26          HA        LYS  26  43.709  -3.677  -3.677
  216   1HB   LYS  26          HB2       LYS  26  42.141  -1.517  -1.517
  217   2HB   LYS  26          HB1       LYS  26  43.862  -1.414  -1.414
  218   1HG   LYS  26          HG2       LYS  26  43.327  -1.719  -1.719
  219   2HG   LYS  26          HG1       LYS  26  41.610  -1.724  -1.724
  220   1HD   LYS  26          HD2       LYS  26  41.567   0.531   0.531
  221   2HD   LYS  26          HD1       LYS  26  43.238   0.555   0.555
  222   1HE   LYS  26          HE2       LYS  26  43.479   1.644   1.644
  223   2HE   LYS  26          HE1       LYS  26  43.752  -0.023  -0.023
  224   1HZ   LYS  26          HZ3       LYS  26  41.050   0.244   0.244
  225   2HZ   LYS  26          HZ2       LYS  26  41.597   1.753   1.753
  226   3HZ   LYS  26          HZ1       LYS  26  42.095   0.326   0.326
  227    H    LYS  27          HN        LYS  27  41.754  -4.685  -4.685
  228    HA   LYS  27          HA        LYS  27  43.504  -4.168  -4.168
  229   1HB   LYS  27          HB2       LYS  27  40.990  -5.266  -5.266
  230   2HB   LYS  27          HB1       LYS  27  41.961  -6.667  -6.667
  231   1HG   LYS  27          HG2       LYS  27  42.105  -4.052  -4.052
  232   2HG   LYS  27          HG1       LYS  27  40.963  -5.326  -5.326
  233   1HD   LYS  27          HD2       LYS  27  42.678  -6.841  -6.841
  234   2HD   LYS  27          HD1       LYS  27  43.903  -5.922  -5.922
  235   1HE   LYS  27          HE2       LYS  27  42.453  -4.636  -4.636
  236   2HE   LYS  27          HE1       LYS  27  43.784  -5.747  -5.747
  237   1HZ   LYS  27          HZ2       LYS  27  44.194  -3.682  -3.682
  238   2HZ   LYS  27          HZ1       LYS  27  44.183  -3.192  -3.192
  239   3HZ   LYS  27          HZ3       LYS  27  45.299  -4.356  -4.356
  240    H    LEU  28          HN        LEU  28  45.371  -5.170  -5.170
  241    HA   LEU  28          HA        LEU  28  47.029  -6.844  -6.844
  242   1HB   LEU  28          HB2       LEU  28  45.400  -8.499  -8.499
  243   2HB   LEU  28          HB1       LEU  28  46.648  -9.051  -9.051
  244    HG   LEU  28          HG        LEU  28  44.353  -7.614  -7.614
  245   1HD1  LEU  28          HD12      LEU  28  44.148 -10.283 -10.283
  246   2HD1  LEU  28          HD11      LEU  28  43.162  -9.930  -9.930
  247   3HD1  LEU  28          HD13      LEU  28  43.011  -8.935  -8.935
  248   1HD2  LEU  28          HD22      LEU  28  46.518  -9.266  -9.266
  249   2HD2  LEU  28          HD21      LEU  28  45.260  -8.585  -8.585
  250   3HD2  LEU  28          HD23      LEU  28  45.048 -10.186 -10.186
  251    H    GLN  29          HN        GLN  29  45.946  -5.230  -5.230
  252    HA   GLN  29          HA        GLN  29  48.527  -5.836  -5.836
  253   1HB   GLN  29          HB2       GLN  29  45.741  -5.718  -5.718
  254   2HB   GLN  29          HB1       GLN  29  47.113  -5.275  -5.275
  255   1HG   GLN  29          HG2       GLN  29  46.776  -7.613  -7.613
  256   2HG   GLN  29          HG1       GLN  29  48.179  -7.486  -7.486
  257   1HE2  GLN  29          HE22      GLN  29  46.459  -9.863  -9.863
  258   2HE2  GLN  29          HE21      GLN  29  47.749  -9.623  -9.623
  259    H    ASP  30          HN        ASP  30  46.976  -3.562  -3.562
  260    HA   ASP  30          HA        ASP  30  47.215  -1.259  -1.259
  261   1HB   ASP  30          HB2       ASP  30  46.503  -1.755  -1.755
  262   2HB   ASP  30          HB1       ASP  30  47.200  -0.173  -0.173
  263    H    VAL  31          HN        VAL  31  49.318  -2.989  -2.989
  264    HA   VAL  31          HA        VAL  31  51.327  -0.820  -0.820
  265    HB   VAL  31          HB        VAL  31  52.631  -2.410  -2.410
  266   1HG1  VAL  31          HG13      VAL  31  49.742  -1.883  -1.883
  267   2HG1  VAL  31          HG12      VAL  31  50.929  -2.508  -2.508
  268   3HG1  VAL  31          HG11      VAL  31  51.153  -0.914  -0.914
  269   1HG2  VAL  31          HG23      VAL  31  50.894  -4.292  -4.292
  270   2HG2  VAL  31          HG22      VAL  31  52.149  -4.613  -4.613
  271   3HG2  VAL  31          HG21      VAL  31  50.497  -4.286  -4.286
  272    H    HIS  32          HN        HIS  32  50.535  -2.234  -2.234
  273    HA   HIS  32          HA        HIS  32  53.245  -2.739  -2.739
  274   1HB   HIS  32          HB2       HIS  32  51.764  -4.930  -4.930
  275   2HB   HIS  32          HB1       HIS  32  51.677  -5.041  -5.041
  276    HD1  HIS  32          HD1       HIS  32  54.044  -4.987  -4.987
  277    HD2  HIS  32          HD2       HIS  32  54.235  -5.637  -5.637
  278    HE1  HIS  32          HE1       HIS  32  56.360  -5.894  -5.894
  279    H    ASN  33          HN        ASN  33  51.689  -0.748  -0.748
  280    HA   ASN  33          HA        ASN  33  51.505  -1.041  -1.041
  281   1HB   ASN  33          HB2       ASN  33  49.377  -2.467  -2.467
  282   2HB   ASN  33          HB1       ASN  33  48.699  -1.140  -1.140
  283   1HD2  ASN  33          HD22      ASN  33  50.058  -4.393  -4.393
  284   2HD2  ASN  33          HD21      ASN  33  49.854  -4.334  -4.334
  285    H    PHE  34          HN        PHE  34  48.780   0.079   0.079
  286    HA   PHE  34          HA        PHE  34  48.467   2.578   2.578
  287   1HB   PHE  34          HB2       PHE  34  47.577   1.310   1.310
  288   2HB   PHE  34          HB1       PHE  34  48.067   2.959   2.959
  289    HD1  PHE  34          HD2       PHE  34  46.762   1.757   1.757
  290    HD2  PHE  34          HD1       PHE  34  45.933   3.998   3.998
  291    HE1  PHE  34          HE2       PHE  34  44.676   2.621   2.621
  292    HE2  PHE  34          HE1       PHE  34  43.847   4.861   4.861
  293    HZ   PHE  34          HZ        PHE  34  43.218   4.173   4.173

  Start of MODEL    5
    1   1H    SER   1          HT1       SER   1  13.320  -9.235  -9.235
    2   2H    SER   1          HT3       SER   1  14.434 -10.471 -10.471
    3   3H    SER   1          HT2       SER   1  13.513 -10.514 -10.514
    4    HA   SER   1          HA        SER   1  11.621 -11.198 -11.198
    5   1HB   SER   1          HB2       SER   1  12.222 -12.970 -12.970
    6   2HB   SER   1          HB1       SER   1  13.466 -12.873 -12.873
    7    HG   SER   1          HG        SER   1  13.851 -12.783 -12.783
    8    H    VAL   2          HN        VAL   2  10.986 -11.798 -11.798
    9    HA   VAL   2          HA        VAL   2   9.990 -10.777 -10.777
   10    HB   VAL   2          HB        VAL   2  12.745 -10.385 -10.385
   11   1HG1  VAL   2          HG11      VAL   2  12.260  -7.968  -7.968
   12   2HG1  VAL   2          HG13      VAL   2  11.458  -7.791  -7.791
   13   3HG1  VAL   2          HG12      VAL   2  13.176  -8.181  -8.181
   14   1HG2  VAL   2          HG23      VAL   2  10.440 -10.184 -10.184
   15   2HG2  VAL   2          HG22      VAL   2  11.814 -11.289 -11.289
   16   3HG2  VAL   2          HG21      VAL   2  12.010  -9.628  -9.628
   17    H    SER   3          HN        SER   3   9.599  -8.317  -8.317
   18    HA   SER   3          HA        SER   3   8.247  -6.980  -6.980
   19   1HB   SER   3          HB2       SER   3   7.133  -7.243  -7.243
   20   2HB   SER   3          HB1       SER   3   8.359  -6.201  -6.201
   21    HG   SER   3          HG        SER   3   7.655  -4.532  -4.532
   22    H    GLU   4          HN        GLU   4   8.585  -4.695  -4.695
   23    HA   GLU   4          HA        GLU   4  11.382  -3.991  -3.991
   24   1HB   GLU   4          HB2       GLU   4   8.865  -2.976  -2.976
   25   2HB   GLU   4          HB1       GLU   4   9.911  -1.663  -1.663
   26   1HG   GLU   4          HG2       GLU   4  11.772  -3.047  -3.047
   27   2HG   GLU   4          HG1       GLU   4  10.383  -3.697  -3.697
   28    H    ILE   5          HN        ILE   5   8.635  -2.775  -2.775
   29    HA   ILE   5          HA        ILE   5  10.488  -1.033  -1.033
   30    HB   ILE   5          HB        ILE   5   8.491  -0.108  -0.108
   31   1HG1  ILE   5          HG12      ILE   5   6.397  -1.449  -1.449
   32   2HG1  ILE   5          HG11      ILE   5   7.426  -2.700  -2.700
   33   1HG2  ILE   5          HG22      ILE   5   9.115   0.493   0.493
   34   2HG2  ILE   5          HG21      ILE   5   7.839  -0.610  -0.610
   35   3HG2  ILE   5          HG23      ILE   5   7.440   0.811   0.811
   36   1HD1  ILE   5          HD13      ILE   5   7.072  -0.546  -0.546
   37   2HD1  ILE   5          HD12      ILE   5   5.502  -1.136  -1.136
   38   3HD1  ILE   5          HD11      ILE   5   6.662  -2.252  -2.252
   39    H    GLN   6          HN        GLN   6  10.695  -3.966  -3.966
   40    HA   GLN   6          HA        GLN   6  10.022  -4.220  -4.220
   41   1HB   GLN   6          HB2       GLN   6   8.661  -5.799  -5.799
   42   2HB   GLN   6          HB1       GLN   6  10.048  -6.340  -6.340
   43   1HG   GLN   6          HG2       GLN   6  10.385  -7.935  -7.935
   44   2HG   GLN   6          HG1       GLN   6  10.828  -6.654  -6.654
   45   1HE2  GLN   6          HE22      GLN   6   6.855  -7.721  -7.721
   46   2HE2  GLN   6          HE21      GLN   6   7.619  -7.508  -7.508
   47    H    LEU   7          HN        LEU   7  12.370  -4.953  -4.953
   48    HA   LEU   7          HA        LEU   7  14.276  -6.034  -6.034
   49   1HB   LEU   7          HB2       LEU   7  14.033  -6.088  -6.088
   50   2HB   LEU   7          HB1       LEU   7  15.510  -5.179  -5.179
   51    HG   LEU   7          HG        LEU   7  15.972  -7.606  -7.606
   52   1HD1  LEU   7          HD11      LEU   7  17.156  -5.994  -5.994
   53   2HD1  LEU   7          HD13      LEU   7  16.187  -6.759  -6.759
   54   3HD1  LEU   7          HD12      LEU   7  17.324  -7.721  -7.721
   55   1HD2  LEU   7          HD22      LEU   7  13.583  -7.692  -7.692
   56   2HD2  LEU   7          HD21      LEU   7  14.407  -9.016  -9.016
   57   3HD2  LEU   7          HD23      LEU   7  14.907  -8.540  -8.540
   58   1HN   NLE   8          HN        NLE   8  13.274  -2.991  -2.991
   59    HA   NLE   8          HA        NLE   8  15.859  -1.664  -1.664
   60   1HB   NLE   8          HB1       NLE   8  13.088  -0.463  -0.463
   61   2HB   NLE   8          HB2       NLE   8  14.246  -0.686  -0.686
   62   1HG   NLE   8          HG1       NLE   8  15.822   0.626   0.626
   63   2HG   NLE   8          HG2       NLE   8  14.259   1.283   1.283
   64   1HD   NLE   8          HD1       NLE   8  14.017   1.472   1.472
   65   2HD   NLE   8          HD2       NLE   8  15.767   1.639   1.639
   66   1HE   NLE   8          HE1       NLE   8  15.427   3.449   3.449
   67   2HE   NLE   8          HE2       NLE   8  13.683   3.299   3.299
   68   3HE   NLE   8          HE3       NLE   8  14.691   3.845   3.845
   69    H    HIS   9          HN        HIS   9  13.112  -2.851  -2.851
   70    HA   HIS   9          HA        HIS   9  13.210  -1.108  -1.108
   71   1HB   HIS   9          HB2       HIS   9  11.182  -2.097  -2.097
   72   2HB   HIS   9          HB1       HIS   9  11.577  -3.260  -3.260
   73    HD1  HIS   9          HD1       HIS   9  11.151  -2.930  -2.930
   74    HD2  HIS   9          HD2       HIS   9  12.880  -5.681  -5.681
   75    HE1  HIS   9          HE1       HIS   9  11.517  -5.053  -5.053
   76    H    ASN  10          HN        ASN  10  15.034  -3.814  -3.814
   77    HA   ASN  10          HA        ASN  10  15.887  -4.723  -4.723
   78   1HB   ASN  10          HB2       ASN  10  17.057  -5.216  -5.216
   79   2HB   ASN  10          HB1       ASN  10  17.546  -6.055  -6.055
   80   1HD2  ASN  10          HD22      ASN  10  13.909  -6.934  -6.934
   81   2HD2  ASN  10          HD21      ASN  10  14.710  -5.501  -5.501
   82    H    LEU  11          HN        LEU  11  17.275  -2.654  -2.654
   83    HA   LEU  11          HA        LEU  11  19.240  -1.704  -1.704
   84   1HB   LEU  11          HB2       LEU  11  20.392  -3.089  -3.089
   85   2HB   LEU  11          HB1       LEU  11  19.719  -2.095  -2.095
   86    HG   LEU  11          HG        LEU  11  20.944  -0.349  -0.349
   87   1HD1  LEU  11          HD11      LEU  11  22.163  -2.719  -2.719
   88   2HD1  LEU  11          HD13      LEU  11  23.050  -2.158  -2.158
   89   3HD1  LEU  11          HD12      LEU  11  23.047  -1.194  -1.194
   90   1HD2  LEU  11          HD23      LEU  11  20.951  -0.957  -0.957
   91   2HD2  LEU  11          HD22      LEU  11  21.214   0.588   0.588
   92   3HD2  LEU  11          HD21      LEU  11  22.564  -0.520  -0.520
   93    H    GLY  12          HN        GLY  12  17.849   0.099   0.099
   94   1HA   GLY  12          HA2       GLY  12  17.133   1.912   1.912
   95   2HA   GLY  12          HA1       GLY  12  16.698   2.127   2.127
   96   1HN   ORN  13          HN        ORN  13  20.002   1.406   1.406
   97    HA   ORN  13          HA        ORN  13  21.951   2.642   2.642
   98   1HB   ORN  13          HB1       ORN  13  20.242   4.732   4.732
   99   2HB   ORN  13          HB2       ORN  13  21.337   3.593   3.593
  100   1HG   ORN  13          HG1       ORN  13  23.148   4.872   4.872
  101   2HG   ORN  13          HG2       ORN  13  22.637   5.121   5.121
  102   1HD   ORN  13          HD1       ORN  13  20.857   6.720   6.720
  103   2HD   ORN  13          HD2       ORN  13  21.904   6.703   6.703
  104   1HNE  ORN  13          HE1       ORN  13  22.397   8.242   8.242
  105    H    HIS  14          HN        HIS  14  20.798   2.454   2.454
  106    HA   HIS  14          HA        HIS  14  19.912   4.994   4.994
  107   1HB   HIS  14          HB2       HIS  14  19.184   2.834   2.834
  108   2HB   HIS  14          HB1       HIS  14  20.840   2.477   2.477
  109    HD1  HIS  14          HD1       HIS  14  18.419   5.401   5.401
  110    HD2  HIS  14          HD2       HIS  14  21.275   3.255   3.255
  111    HE1  HIS  14          HE1       HIS  14  18.448   6.385   6.385
  112    H    LEU  15          HN        LEU  15  22.448   3.364   3.364
  113    HA   LEU  15          HA        LEU  15  23.994   5.861   5.861
  114   1HB   LEU  15          HB2       LEU  15  25.121   5.088   5.088
  115   2HB   LEU  15          HB1       LEU  15  23.530   4.356   4.356
  116    HG   LEU  15          HG        LEU  15  25.909   2.965   2.965
  117   1HD1  LEU  15          HD13      LEU  15  25.160   3.383   3.383
  118   2HD1  LEU  15          HD12      LEU  15  25.207   1.669   1.669
  119   3HD1  LEU  15          HD11      LEU  15  26.631   2.675   2.675
  120   1HD2  LEU  15          HD23      LEU  15  23.064   2.207   2.207
  121   2HD2  LEU  15          HD22      LEU  15  24.006   1.893   1.893
  122   3HD2  LEU  15          HD21      LEU  15  24.319   0.967   0.967
  123    H    ASN  16          HN        ASN  16  23.760   3.733   3.733
  124    HA   ASN  16          HA        ASN  16  26.472   2.727   2.727
  125   1HB   ASN  16          HB2       ASN  16  24.398   1.666   1.666
  126   2HB   ASN  16          HB1       ASN  16  24.335   3.020   3.020
  127   1HD2  ASN  16          HD22      ASN  16  26.921  -0.006  -0.006
  128   2HD2  ASN  16          HD21      ASN  16  25.789  -0.053  -0.053
  129    H    GLU  17          HN        GLU  17  24.943   5.731   5.731
  130    HA   GLU  17          HA        GLU  17  26.426   6.654   6.654
  131   1HB   GLU  17          HB2       GLU  17  24.512   7.724   7.724
  132   2HB   GLU  17          HB1       GLU  17  25.894   8.821   8.821
  133   1HG   GLU  17          HG2       GLU  17  24.355   9.480   9.480
  134   2HG   GLU  17          HG1       GLU  17  25.791   8.781   8.781
  135   1HN   NLE  18          HN        NLE  18  26.971   7.036   7.036
  136    HA   NLE  18          HA        NLE  18  29.670   8.120   8.120
  137   1HB   NLE  18          HB1       NLE  18  28.402   7.590   7.590
  138   2HB   NLE  18          HB2       NLE  18  28.122   9.075   9.075
  139   1HG   NLE  18          HG1       NLE  18  30.666   9.319   9.319
  140   2HG   NLE  18          HG2       NLE  18  30.742   8.030   8.030
  141   1HD   NLE  18          HD1       NLE  18  29.588   9.333   9.333
  142   2HD   NLE  18          HD2       NLE  18  29.040  10.495  10.495
  143   1HE   NLE  18          HE1       NLE  18  31.780  10.599  10.599
  144   2HE   NLE  18          HE2       NLE  18  31.600  10.353  10.353
  145   3HE   NLE  18          HE3       NLE  18  30.825  11.732  11.732
  146    H    GLU  19          HN        GLU  19  28.904   5.277   5.277
  147    HA   GLU  19          HA        GLU  19  30.548   3.826   3.826
  148   1HB   GLU  19          HB2       GLU  19  28.267   2.991   2.991
  149   2HB   GLU  19          HB1       GLU  19  29.139   2.593   2.593
  150   1HG   GLU  19          HG2       GLU  19  29.963   0.725   0.725
  151   2HG   GLU  19          HG1       GLU  19  30.644   1.665   1.665
  152    H    ARG  20          HN        ARG  20  30.585   4.890   4.890
  153    HA   ARG  20          HA        ARG  20  33.009   3.296   3.296
  154   1HB   ARG  20          HB2       ARG  20  31.807   5.415   5.415
  155   2HB   ARG  20          HB1       ARG  20  32.737   3.990   3.990
  156   1HG   ARG  20          HG2       ARG  20  30.942   2.562   2.562
  157   2HG   ARG  20          HG1       ARG  20  30.172   3.550   3.550
  158   1HD   ARG  20          HD2       ARG  20  28.805   4.286   4.286
  159   2HD   ARG  20          HD1       ARG  20  30.187   5.220   5.220
  160    HE   ARG  20          HE        ARG  20  29.236   2.660   2.660
  161   1HH1  ARG  20          HH11      ARG  20  30.266   5.648   5.648
  162   2HH1  ARG  20          HH12      ARG  20  31.486   5.142   5.142
  163   1HH2  ARG  20          HH21      ARG  20  31.358   1.812   1.812
  164   2HH2  ARG  20          HH22      ARG  20  32.105   2.972   2.972
  165    H    VAL  21          HN        VAL  21  32.208   6.832   6.832
  166    HA   VAL  21          HA        VAL  21  34.823   7.786   7.786
  167    HB   VAL  21          HB        VAL  21  34.273   9.652   9.652
  168   1HG1  VAL  21          HG11      VAL  21  32.207   8.554   8.554
  169   2HG1  VAL  21          HG13      VAL  21  31.714   9.885   9.885
  170   3HG1  VAL  21          HG12      VAL  21  33.067  10.091  10.091
  171   1HG2  VAL  21          HG21      VAL  21  32.334   7.636   7.636
  172   2HG2  VAL  21          HG23      VAL  21  33.396   8.744   8.744
  173   3HG2  VAL  21          HG22      VAL  21  31.928   9.349   9.349
  174    H    GLU  22          HN        GLU  22  33.491   5.917   5.917
  175    HA   GLU  22          HA        GLU  22  35.618   6.147   6.147
  176   1HB   GLU  22          HB2       GLU  22  33.851   5.050   5.050
  177   2HB   GLU  22          HB1       GLU  22  33.262   4.413   4.413
  178   1HG   GLU  22          HG2       GLU  22  34.535   2.483   2.483
  179   2HG   GLU  22          HG1       GLU  22  35.818   3.259   3.259
  180    H    TRP  23          HN        TRP  23  34.722   3.396   3.396
  181    HA   TRP  23          HA        TRP  23  37.199   2.087   2.087
  182   1HB   TRP  23          HB2       TRP  23  36.162   0.461   0.461
  183   2HB   TRP  23          HB1       TRP  23  34.750   1.373   1.373
  184    HD1  TRP  23          HD1       TRP  23  33.135   1.514   1.514
  185    HE1  TRP  23          HE1       TRP  23  33.273   1.720   1.720
  186    HE3  TRP  23          HE3       TRP  23  38.091   1.692   1.692
  187    HZ2  TRP  23          HZ2       TRP  23  35.311   1.914   1.914
  188    HZ3  TRP  23          HZ3       TRP  23  39.194   1.867   1.867
  189    HH2  TRP  23          HH2       TRP  23  37.790   1.988   1.988
  190    H    LEU  24          HN        LEU  24  35.904   3.911   3.911
  191    HA   LEU  24          HA        LEU  24  37.898   3.969   3.969
  192   1HB   LEU  24          HB2       LEU  24  35.937   5.914   5.914
  193   2HB   LEU  24          HB1       LEU  24  37.308   6.645   6.645
  194    HG   LEU  24          HG        LEU  24  36.883   4.692   4.692
  195   1HD1  LEU  24          HD12      LEU  24  34.977   3.957   3.957
  196   2HD1  LEU  24          HD11      LEU  24  34.049   5.193   5.193
  197   3HD1  LEU  24          HD13      LEU  24  34.722   3.831   3.831
  198   1HD2  LEU  24          HD23      LEU  24  36.086   7.432   7.432
  199   2HD2  LEU  24          HD22      LEU  24  36.423   6.519   6.519
  200   3HD2  LEU  24          HD21      LEU  24  34.790   6.545   6.545
  201    H    ARG  25          HN        ARG  25  38.025   5.808   5.808
  202    HA   ARG  25          HA        ARG  25  40.702   6.823   6.823
  203   1HB   ARG  25          HB2       ARG  25  39.207   8.294   8.294
  204   2HB   ARG  25          HB1       ARG  25  39.032   7.089   7.089
  205   1HG   ARG  25          HG2       ARG  25  41.486   7.228   7.228
  206   2HG   ARG  25          HG1       ARG  25  41.594   8.509   8.509
  207   1HD   ARG  25          HD2       ARG  25  39.989   8.584   8.584
  208   2HD   ARG  25          HD1       ARG  25  41.434   9.528   9.528
  209    HE   ARG  25          HE        ARG  25  38.777   9.916   9.916
  210   1HH1  ARG  25          HH21      ARG  25  41.392  10.711  10.711
  211   2HH1  ARG  25          HH22      ARG  25  41.460  12.398  12.398
  212   1HH2  ARG  25          HH11      ARG  25  39.106  12.186  12.186
  213   2HH2  ARG  25          HH12      ARG  25  40.165  13.234  13.234
  214    H    LYS  26          HN        LYS  26  39.287   4.350   4.350
  215    HA   LYS  26          HA        LYS  26  41.983   3.669   3.669
  216   1HB   LYS  26          HB2       LYS  26  39.196   2.743   2.743
  217   2HB   LYS  26          HB1       LYS  26  40.664   2.065   2.065
  218   1HG   LYS  26          HG2       LYS  26  41.275   4.145   4.145
  219   2HG   LYS  26          HG1       LYS  26  40.095   5.033   5.033
  220   1HD   LYS  26          HD2       LYS  26  38.346   4.455   4.455
  221   2HD   LYS  26          HD1       LYS  26  39.007   2.855   2.855
  222   1HE   LYS  26          HE2       LYS  26  40.270   5.368   5.368
  223   2HE   LYS  26          HE1       LYS  26  38.975   4.527   4.527
  224   1HZ   LYS  26          HZ3       LYS  26  40.345   2.489   2.489
  225   2HZ   LYS  26          HZ2       LYS  26  41.613   3.414   3.414
  226   3HZ   LYS  26          HZ1       LYS  26  41.059   3.718   3.718
  227    H    LYS  27          HN        LYS  27  41.395   3.166   3.166
  228    HA   LYS  27          HA        LYS  27  41.084   0.204   0.204
  229   1HB   LYS  27          HB2       LYS  27  39.862   2.017   2.017
  230   2HB   LYS  27          HB1       LYS  27  41.315   1.772   1.772
  231   1HG   LYS  27          HG2       LYS  27  39.270  -0.290  -0.290
  232   2HG   LYS  27          HG1       LYS  27  39.773   0.136   0.136
  233   1HD   LYS  27          HD2       LYS  27  42.148  -0.624  -0.624
  234   2HD   LYS  27          HD1       LYS  27  41.218  -1.504  -1.504
  235   1HE   LYS  27          HE2       LYS  27  41.204  -3.112  -3.112
  236   2HE   LYS  27          HE1       LYS  27  39.807  -2.186  -2.186
  237   1HZ   LYS  27          HZ1       LYS  27  41.302  -0.904  -0.904
  238   2HZ   LYS  27          HZ3       LYS  27  42.604  -1.877  -1.877
  239   3HZ   LYS  27          HZ2       LYS  27  41.314  -2.558  -2.558
  240    H    LEU  28          HN        LEU  28  43.122   2.688   2.688
  241    HA   LEU  28          HA        LEU  28  45.190   0.679   0.679
  242   1HB   LEU  28          HB2       LEU  28  45.302   3.687   3.687
  243   2HB   LEU  28          HB1       LEU  28  46.391   2.499   2.499
  244    HG   LEU  28          HG        LEU  28  43.705   1.732   1.732
  245   1HD1  LEU  28          HD11      LEU  28  43.458   4.298   4.298
  246   2HD1  LEU  28          HD13      LEU  28  44.310   4.477   4.477
  247   3HD1  LEU  28          HD12      LEU  28  42.767   3.623   3.623
  248   1HD2  LEU  28          HD23      LEU  28  46.187   2.594   2.594
  249   2HD2  LEU  28          HD22      LEU  28  45.344   1.045   1.045
  250   3HD2  LEU  28          HD21      LEU  28  44.683   2.440   2.440
  251    H    GLN  29          HN        GLN  29  44.332   2.052   2.052
  252    HA   GLN  29          HA        GLN  29  47.159   2.136   2.136
  253   1HB   GLN  29          HB2       GLN  29  46.090   4.455   4.455
  254   2HB   GLN  29          HB1       GLN  29  45.015   3.972   3.972
  255   1HG   GLN  29          HG2       GLN  29  47.834   3.380   3.380
  256   2HG   GLN  29          HG1       GLN  29  47.519   5.101   5.101
  257   1HE2  GLN  29          HE21      GLN  29  47.678   2.843   2.843
  258   2HE2  GLN  29          HE22      GLN  29  46.542   3.488   3.488
  259    H    ASP  30          HN        ASP  30  45.252  -0.041  -0.041
  260    HA   ASP  30          HA        ASP  30  44.743  -0.158  -0.158
  261   1HB   ASP  30          HB2       ASP  30  42.757  -0.282  -0.282
  262   2HB   ASP  30          HB1       ASP  30  43.349  -1.909  -1.909
  263    H    VAL  31          HN        VAL  31  45.354  -2.327  -2.327
  264    HA   VAL  31          HA        VAL  31  47.727  -3.480  -3.480
  265    HB   VAL  31          HB        VAL  31  46.602  -4.287  -4.287
  266   1HG1  VAL  31          HG11      VAL  31  44.310  -4.041  -4.041
  267   2HG1  VAL  31          HG13      VAL  31  44.518  -5.789  -5.789
  268   3HG1  VAL  31          HG12      VAL  31  44.421  -4.997  -4.997
  269   1HG2  VAL  31          HG22      VAL  31  47.967  -5.942  -5.942
  270   2HG2  VAL  31          HG21      VAL  31  47.014  -6.592  -6.592
  271   3HG2  VAL  31          HG23      VAL  31  46.394  -6.676  -6.676
  272    H    HIS  32          HN        HIS  32  47.980  -3.421  -3.421
  273    HA   HIS  32          HA        HIS  32  47.261  -5.905  -5.905
  274   1HB   HIS  32          HB2       HIS  32  45.791  -5.086  -5.086
  275   2HB   HIS  32          HB1       HIS  32  45.149  -4.457  -4.457
  276    HD1  HIS  32          HD1       HIS  32  47.712  -2.317  -2.317
  277    HD2  HIS  32          HD2       HIS  32  44.639  -2.720  -2.720
  278    HE1  HIS  32          HE1       HIS  32  47.550  -0.100  -0.100
  279    H    ASN  33          HN        ASN  33  49.670  -4.496  -4.496
  280    HA   ASN  33          HA        ASN  33  50.565  -3.518  -3.518
  281   1HB   ASN  33          HB2       ASN  33  52.720  -3.118  -3.118
  282   2HB   ASN  33          HB1       ASN  33  51.449  -1.923  -1.923
  283   1HD2  ASN  33          HD22      ASN  33  50.102  -2.290  -2.290
  284   2HD2  ASN  33          HD21      ASN  33  49.834  -1.668  -1.668
  285    H    PHE  34          HN        PHE  34  52.397  -5.181  -5.181
  286    HA   PHE  34          HA        PHE  34  52.644  -7.690  -7.690
  287   1HB   PHE  34          HB2       PHE  34  54.913  -7.460  -7.460
  288   2HB   PHE  34          HB1       PHE  34  53.742  -6.420  -6.420
  289    HD1  PHE  34          HD2       PHE  34  56.537  -6.501  -6.501
  290    HD2  PHE  34          HD1       PHE  34  53.874  -4.015  -4.015
  291    HE1  PHE  34          HE2       PHE  34  57.923  -4.518  -4.518
  292    HE2  PHE  34          HE1       PHE  34  55.262  -2.032  -2.032
  293    HZ   PHE  34          HZ        PHE  34  57.287  -2.284  -2.284

  Start of MODEL    6
    1   1H    SER   1          HT3       SER   1  19.559  -9.453  -9.453
    2   2H    SER   1          HT2       SER   1  18.527  -8.260  -8.260
    3   3H    SER   1          HT1       SER   1  19.465  -7.935  -7.935
    4    HA   SER   1          HA        SER   1  18.009  -8.870  -8.870
    5   1HB   SER   1          HB2       SER   1  16.519  -8.420  -8.420
    6   2HB   SER   1          HB1       SER   1  15.687  -9.229  -9.229
    7    HG   SER   1          HG        SER   1  15.372  -7.210  -7.210
    8    H    VAL   2          HN        VAL   2  17.875 -10.664 -10.664
    9    HA   VAL   2          HA        VAL   2  16.824 -13.077 -13.077
   10    HB   VAL   2          HB        VAL   2  17.750 -14.158 -14.158
   11   1HG1  VAL   2          HG12      VAL   2  15.569 -12.954 -12.954
   12   2HG1  VAL   2          HG11      VAL   2  16.410 -11.484 -11.484
   13   3HG1  VAL   2          HG13      VAL   2  16.380 -12.883 -12.883
   14   1HG2  VAL   2          HG23      VAL   2  19.558 -11.996 -11.996
   15   2HG2  VAL   2          HG22      VAL   2  19.467 -13.221 -13.221
   16   3HG2  VAL   2          HG21      VAL   2  18.580 -11.707 -11.707
   17    H    SER   3          HN        SER   3  18.546 -15.135 -15.135
   18    HA   SER   3          HA        SER   3  20.601 -14.747 -14.747
   19   1HB   SER   3          HB2       SER   3  19.356 -16.723 -16.723
   20   2HB   SER   3          HB1       SER   3  19.379 -17.160 -17.160
   21    HG   SER   3          HG        SER   3  21.288 -17.515 -17.515
   22    H    GLU   4          HN        GLU   4  20.800 -13.750 -13.750
   23    HA   GLU   4          HA        GLU   4  23.124 -15.342 -15.342
   24   1HB   GLU   4          HB2       GLU   4  22.802 -14.406 -14.406
   25   2HB   GLU   4          HB1       GLU   4  21.151 -14.417 -14.417
   26   1HG   GLU   4          HG2       GLU   4  21.431 -12.058 -12.058
   27   2HG   GLU   4          HG1       GLU   4  23.057 -12.055 -12.055
   28    H    ILE   5          HN        ILE   5  22.278 -12.025 -12.025
   29    HA   ILE   5          HA        ILE   5  25.132 -11.247 -11.247
   30    HB   ILE   5          HB        ILE   5  23.269  -9.708  -9.708
   31   1HG1  ILE   5          HG12      ILE   5  24.838  -8.628  -8.628
   32   2HG1  ILE   5          HG11      ILE   5  25.575  -8.972  -8.972
   33   1HG2  ILE   5          HG22      ILE   5  22.100 -10.477 -10.477
   34   2HG2  ILE   5          HG21      ILE   5  22.683  -8.848  -8.848
   35   3HG2  ILE   5          HG23      ILE   5  21.580  -9.125  -9.125
   36   1HD1  ILE   5          HD12      ILE   5  23.091  -7.331  -7.331
   37   2HD1  ILE   5          HD11      ILE   5  24.550  -6.559  -6.559
   38   3HD1  ILE   5          HD13      ILE   5  24.525  -7.211  -7.211
   39    H    GLN   6          HN        GLN   6  24.374 -13.304 -13.304
   40    HA   GLN   6          HA        GLN   6  24.211 -11.973 -11.973
   41   1HB   GLN   6          HB2       GLN   6  22.970 -14.067 -14.067
   42   2HB   GLN   6          HB1       GLN   6  24.469 -14.904 -14.904
   43   1HG   GLN   6          HG2       GLN   6  25.215 -13.899 -13.899
   44   2HG   GLN   6          HG1       GLN   6  23.477 -13.973 -13.973
   45   1HE2  GLN   6          HE22      GLN   6  23.821 -17.669 -17.669
   46   2HE2  GLN   6          HE21      GLN   6  23.230 -16.350 -16.350
   47    H    LEU   7          HN        LEU   7  26.526 -14.132 -14.132
   48    HA   LEU   7          HA        LEU   7  28.532 -13.872 -13.872
   49   1HB   LEU   7          HB2       LEU   7  28.668 -14.656 -14.656
   50   2HB   LEU   7          HB1       LEU   7  30.099 -14.629 -14.629
   51    HG   LEU   7          HG        LEU   7  29.188 -16.881 -16.881
   52   1HD1  LEU   7          HD12      LEU   7  29.828 -15.486 -15.486
   53   2HD1  LEU   7          HD11      LEU   7  28.146 -15.848 -15.848
   54   3HD1  LEU   7          HD13      LEU   7  29.282 -17.162 -17.162
   55   1HD2  LEU   7          HD23      LEU   7  26.824 -15.932 -15.932
   56   2HD2  LEU   7          HD22      LEU   7  26.924 -17.383 -17.383
   57   3HD2  LEU   7          HD21      LEU   7  26.614 -15.817 -15.817
   58   1HN   NLE   8          HN        NLE   8  27.402 -11.760 -11.760
   59    HA   NLE   8          HA        NLE   8  29.868 -10.138 -10.138
   60   1HB   NLE   8          HB1       NLE   8  28.427  -8.615  -8.615
   61   2HB   NLE   8          HB2       NLE   8  27.092  -9.744  -9.744
   62   1HG   NLE   8          HG1       NLE   8  27.866 -10.837 -10.837
   63   2HG   NLE   8          HG2       NLE   8  29.218 -11.360 -11.360
   64   1HD   NLE   8          HD1       NLE   8  30.328 -10.326 -10.326
   65   2HD   NLE   8          HD2       NLE   8  30.210  -9.001  -9.001
   66   1HE   NLE   8          HE1       NLE   8  27.827  -9.215  -9.215
   67   2HE   NLE   8          HE2       NLE   8  29.288  -8.966  -8.966
   68   3HE   NLE   8          HE3       NLE   8  28.854  -7.815  -7.815
   69    H    HIS   9          HN        HIS   9  26.857 -10.363 -10.363
   70    HA   HIS   9          HA        HIS   9  26.829  -7.652  -7.652
   71   1HB   HIS   9          HB2       HIS   9  24.788  -8.235  -8.235
   72   2HB   HIS   9          HB1       HIS   9  24.965  -9.641  -9.641
   73    HD1  HIS   9          HD1       HIS   9  25.769  -8.602  -8.602
   74    HD2  HIS   9          HD2       HIS   9  24.911 -12.047 -12.047
   75    HE1  HIS   9          HE1       HIS   9  25.594 -10.492 -10.492
   76    H    ASN  10          HN        ASN  10  28.727 -10.351 -10.351
   77    HA   ASN  10          HA        ASN  10  29.008 -10.057 -10.057
   78   1HB   ASN  10          HB2       ASN  10  30.631 -11.385 -11.385
   79   2HB   ASN  10          HB1       ASN  10  31.260 -11.268 -11.268
   80   1HD2  ASN  10          HD22      ASN  10  27.667 -13.244 -13.244
   81   2HD2  ASN  10          HD21      ASN  10  27.834 -11.730 -11.730
   82    H    LEU  11          HN        LEU  11  31.177  -9.078  -9.078
   83    HA   LEU  11          HA        LEU  11  32.145  -6.882  -6.882
   84   1HB   LEU  11          HB2       LEU  11  33.653  -9.033  -9.033
   85   2HB   LEU  11          HB1       LEU  11  34.061  -7.729  -7.729
   86    HG   LEU  11          HG        LEU  11  34.513  -6.245  -6.245
   87   1HD1  LEU  11          HD11      LEU  11  33.397  -8.578  -8.578
   88   2HD1  LEU  11          HD13      LEU  11  34.899  -7.985  -7.985
   89   3HD1  LEU  11          HD12      LEU  11  33.519  -6.901  -6.901
   90   1HD2  LEU  11          HD21      LEU  11  35.995  -8.803  -8.803
   91   2HD2  LEU  11          HD23      LEU  11  36.510  -7.141  -7.141
   92   3HD2  LEU  11          HD22      LEU  11  36.501  -7.787  -7.787
   93    H    GLY  12          HN        GLY  12  30.579  -5.485  -5.485
   94   1HA   GLY  12          HA2       GLY  12  31.012  -3.580  -3.580
   95   2HA   GLY  12          HA1       GLY  12  31.304  -4.844  -4.844
   96   1HN   ORN  13          HN        ORN  13  28.789  -3.605  -3.605
   97    HA   ORN  13          HA        ORN  13  26.789  -4.489  -4.489
   98   1HB   ORN  13          HB1       ORN  13  26.358  -5.999  -5.999
   99   2HB   ORN  13          HB2       ORN  13  25.216  -4.702  -4.702
  100   1HG   ORN  13          HG1       ORN  13  27.623  -3.984  -3.984
  101   2HG   ORN  13          HG2       ORN  13  27.351  -5.686  -5.686
  102   1HD   ORN  13          HD1       ORN  13  25.483  -5.257  -5.257
  103   2HD   ORN  13          HD2       ORN  13  24.936  -3.989  -3.989
  104   1HNE  ORN  13          HE1       ORN  13  27.256  -3.198  -3.198
  105    H    HIS  14          HN        HIS  14  27.220  -2.318  -2.318
  106    HA   HIS  14          HA        HIS  14  26.258  -0.049  -0.049
  107   1HB   HIS  14          HB2       HIS  14  24.510  -1.328  -1.328
  108   2HB   HIS  14          HB1       HIS  14  24.334   0.363   0.363
  109    HD1  HIS  14          HD1       HIS  14  22.886  -2.756  -2.756
  110    HD2  HIS  14          HD2       HIS  14  24.234   0.395   0.395
  111    HE1  HIS  14          HE1       HIS  14  21.746  -3.013  -3.013
  112    H    LEU  15          HN        LEU  15  27.440   1.629   1.629
  113    HA   LEU  15          HA        LEU  15  28.832   1.377   1.377
  114   1HB   LEU  15          HB2       LEU  15  28.598   3.870   3.870
  115   2HB   LEU  15          HB1       LEU  15  29.884   3.457   3.457
  116    HG   LEU  15          HG        LEU  15  29.246   1.894   1.894
  117   1HD1  LEU  15          HD13      LEU  15  30.542   4.368   4.368
  118   2HD1  LEU  15          HD12      LEU  15  31.844   3.185   3.185
  119   3HD1  LEU  15          HD11      LEU  15  30.610   3.280   3.280
  120   1HD2  LEU  15          HD21      LEU  15  31.294   1.660   1.660
  121   2HD2  LEU  15          HD23      LEU  15  30.262   0.403   0.403
  122   3HD2  LEU  15          HD22      LEU  15  31.629   1.023   1.023
  123    H    ASN  16          HN        ASN  16  25.747   2.043   2.043
  124    HA   ASN  16          HA        ASN  16  25.282   4.317   4.317
  125   1HB   ASN  16          HB2       ASN  16  23.780   3.481   3.481
  126   2HB   ASN  16          HB1       ASN  16  23.210   2.268   2.268
  127   1HD2  ASN  16          HD22      ASN  16  21.300   4.570   4.570
  128   2HD2  ASN  16          HD21      ASN  16  21.914   2.991   2.991
  129    H    GLU  17          HN        GLU  17  25.595   0.875   0.875
  130    HA   GLU  17          HA        GLU  17  24.454   0.913   0.913
  131   1HB   GLU  17          HB2       GLU  17  24.735  -1.506  -1.506
  132   2HB   GLU  17          HB1       GLU  17  23.967  -0.991  -0.991
  133   1HG   GLU  17          HG2       GLU  17  26.527  -0.819  -0.819
  134   2HG   GLU  17          HG1       GLU  17  26.714  -2.059  -2.059
  135   1HN   NLE  18          HN        NLE  18  27.404   1.525   1.525
  136    HA   NLE  18          HA        NLE  18  28.857   0.866   0.866
  137   1HB   NLE  18          HB1       NLE  18  30.519   1.070   1.070
  138   2HB   NLE  18          HB2       NLE  18  29.356  -0.253  -0.253
  139   1HG   NLE  18          HG1       NLE  18  30.162  -0.901  -0.901
  140   2HG   NLE  18          HG2       NLE  18  31.484   0.243   0.243
  141   1HD   NLE  18          HD1       NLE  18  30.833  -2.120  -2.120
  142   2HD   NLE  18          HD2       NLE  18  32.172  -2.038  -2.038
  143   1HE   NLE  18          HE1       NLE  18  31.895  -0.816  -0.816
  144   2HE   NLE  18          HE2       NLE  18  33.352  -1.266  -1.266
  145   3HE   NLE  18          HE3       NLE  18  32.546   0.264   0.264
  146    H    GLU  19          HN        GLU  19  27.501   3.354   3.354
  147    HA   GLU  19          HA        GLU  19  29.822   5.171   5.171
  148   1HB   GLU  19          HB2       GLU  19  27.712   5.359   5.359
  149   2HB   GLU  19          HB1       GLU  19  26.893   5.931   5.931
  150   1HG   GLU  19          HG2       GLU  19  28.540   7.758   7.758
  151   2HG   GLU  19          HG1       GLU  19  29.358   7.190   7.190
  152    H    ARG  20          HN        ARG  20  27.764   3.954   3.954
  153    HA   ARG  20          HA        ARG  20  28.070   6.330   6.330
  154   1HB   ARG  20          HB2       ARG  20  26.540   5.246   5.246
  155   2HB   ARG  20          HB1       ARG  20  25.941   4.890   4.890
  156   1HG   ARG  20          HG2       ARG  20  27.266   2.723   2.723
  157   2HG   ARG  20          HG1       ARG  20  27.512   3.062   3.062
  158   1HD   ARG  20          HD2       ARG  20  24.912   2.560   2.560
  159   2HD   ARG  20          HD1       ARG  20  25.582   1.675   1.675
  160    HE   ARG  20          HE        ARG  20  24.994   4.503   4.503
  161   1HH1  ARG  20          HH21      ARG  20  23.108   1.835   1.835
  162   2HH1  ARG  20          HH22      ARG  20  22.251   1.811   1.811
  163   1HH2  ARG  20          HH11      ARG  20  24.249   4.226   4.226
  164   2HH2  ARG  20          HH12      ARG  20  22.896   3.164   3.164
  165    H    VAL  21          HN        VAL  21  29.070   2.829   2.829
  166    HA   VAL  21          HA        VAL  21  30.612   3.084   3.084
  167    HB   VAL  21          HB        VAL  21  30.452   0.934   0.934
  168   1HG1  VAL  21          HG13      VAL  21  31.566   2.599   2.599
  169   2HG1  VAL  21          HG12      VAL  21  32.286   0.995   0.995
  170   3HG1  VAL  21          HG11      VAL  21  30.545   1.164   1.164
  171   1HG2  VAL  21          HG22      VAL  21  32.526   1.623   1.623
  172   2HG2  VAL  21          HG21      VAL  21  32.644   0.183   0.183
  173   3HG2  VAL  21          HG23      VAL  21  33.366   1.699   1.699
  174    H    GLU  22          HN        GLU  22  31.036   4.435   4.435
  175    HA   GLU  22          HA        GLU  22  33.754   5.356   5.356
  176   1HB   GLU  22          HB2       GLU  22  33.069   5.663   5.663
  177   2HB   GLU  22          HB1       GLU  22  31.378   5.800   5.800
  178   1HG   GLU  22          HG2       GLU  22  31.480   8.096   8.096
  179   2HG   GLU  22          HG1       GLU  22  33.180   8.083   8.083
  180    H    TRP  23          HN        TRP  23  30.785   7.206   7.206
  181    HA   TRP  23          HA        TRP  23  31.860   9.473   9.473
  182   1HB   TRP  23          HB2       TRP  23  29.799  10.360  10.360
  183   2HB   TRP  23          HB1       TRP  23  29.644   8.936   8.936
  184    HD1  TRP  23          HD1       TRP  23  27.360   7.972   7.972
  185    HE1  TRP  23          HE1       TRP  23  25.605   7.705   7.705
  186    HE3  TRP  23          HE3       TRP  23  29.920   9.985   9.985
  187    HZ2  TRP  23          HZ2       TRP  23  25.352   8.319   8.319
  188    HZ3  TRP  23          HZ3       TRP  23  28.951  10.197  10.197
  189    HH2  TRP  23          HH2       TRP  23  26.667   9.339   9.339
  190    H    LEU  24          HN        LEU  24  29.687   7.001   7.001
  191    HA   LEU  24          HA        LEU  24  29.601   7.735   7.735
  192   1HB   LEU  24          HB2       LEU  24  29.408   5.236   5.236
  193   2HB   LEU  24          HB1       LEU  24  29.932   5.006   5.006
  194    HG   LEU  24          HG        LEU  24  27.927   6.848   6.848
  195   1HD1  LEU  24          HD13      LEU  24  27.555   6.386   6.386
  196   2HD1  LEU  24          HD12      LEU  24  26.834   4.877   4.877
  197   3HD1  LEU  24          HD11      LEU  24  26.154   6.418   6.418
  198   1HD2  LEU  24          HD23      LEU  24  28.456   4.180   4.180
  199   2HD2  LEU  24          HD22      LEU  24  27.183   5.205   5.205
  200   3HD2  LEU  24          HD21      LEU  24  26.843   4.157   4.157
  201    H    ARG  25          HN        ARG  25  32.256   6.008   6.008
  202    HA   ARG  25          HA        ARG  25  33.909   5.238   5.238
  203   1HB   ARG  25          HB2       ARG  25  34.592   5.023   5.023
  204   2HB   ARG  25          HB1       ARG  25  34.766   6.775   6.775
  205   1HG   ARG  25          HG2       ARG  25  36.965   5.821   5.821
  206   2HG   ARG  25          HG1       ARG  25  36.470   6.676   6.676
  207   1HD   ARG  25          HD2       ARG  25  37.347   4.558   4.558
  208   2HD   ARG  25          HD1       ARG  25  35.593   4.457   4.457
  209    HE   ARG  25          HE        ARG  25  35.544   2.988   2.988
  210   1HH1  ARG  25          HH11      ARG  25  37.377   3.703   3.703
  211   2HH1  ARG  25          HH12      ARG  25  38.790   2.738   2.738
  212   1HH2  ARG  25          HH21      ARG  25  37.926   1.927   1.927
  213   2HH2  ARG  25          HH22      ARG  25  39.100   1.733   1.733
  214    H    LYS  26          HN        LYS  26  33.612   8.553   8.553
  215    HA   LYS  26          HA        LYS  26  35.321   9.631   9.631
  216   1HB   LYS  26          HB2       LYS  26  33.819  10.752  10.752
  217   2HB   LYS  26          HB1       LYS  26  34.340  11.842  11.842
  218   1HG   LYS  26          HG2       LYS  26  36.512  11.717  11.717
  219   2HG   LYS  26          HG1       LYS  26  36.436   9.966   9.966
  220   1HD   LYS  26          HD2       LYS  26  36.664  10.497  10.497
  221   2HD   LYS  26          HD1       LYS  26  34.920  10.739  10.739
  222   1HE   LYS  26          HE2       LYS  26  36.910  12.954  12.954
  223   2HE   LYS  26          HE1       LYS  26  36.232  12.651  12.651
  224   1HZ   LYS  26          HZ1       LYS  26  34.505  12.999  12.999
  225   2HZ   LYS  26          HZ3       LYS  26  35.053  14.330  14.330
  226   3HZ   LYS  26          HZ2       LYS  26  34.092  13.143  13.143
  227    H    LYS  27          HN        LYS  27  33.153   8.228   8.228
  228    HA   LYS  27          HA        LYS  27  31.666  10.432  10.432
  229   1HB   LYS  27          HB2       LYS  27  30.297   9.453   9.453
  230   2HB   LYS  27          HB1       LYS  27  30.319   7.919   7.919
  231   1HG   LYS  27          HG2       LYS  27  28.271   9.353   9.353
  232   2HG   LYS  27          HG1       LYS  27  29.155   8.859   8.859
  233   1HD   LYS  27          HD2       LYS  27  30.176  11.002  11.002
  234   2HD   LYS  27          HD1       LYS  27  29.681  11.492  11.492
  235   1HE   LYS  27          HE2       LYS  27  27.762  10.874  10.874
  236   2HE   LYS  27          HE1       LYS  27  28.256  12.499  12.499
  237   1HZ   LYS  27          HZ2       LYS  27  27.507  11.433  11.433
  238   2HZ   LYS  27          HZ1       LYS  27  26.416  10.680  10.680
  239   3HZ   LYS  27          HZ3       LYS  27  26.497  12.373  12.373
  240    H    LEU  28          HN        LEU  28  32.265   6.908   6.908
  241    HA   LEU  28          HA        LEU  28  31.708   6.661   6.661
  242   1HB   LEU  28          HB2       LEU  28  31.468   4.863   4.863
  243   2HB   LEU  28          HB1       LEU  28  33.175   4.570   4.570
  244    HG   LEU  28          HG        LEU  28  32.062   4.699   4.699
  245   1HD1  LEU  28          HD13      LEU  28  30.003   3.972   3.972
  246   2HD1  LEU  28          HD12      LEU  28  30.252   2.717   2.717
  247   3HD1  LEU  28          HD11      LEU  28  29.839   4.358   4.358
  248   1HD2  LEU  28          HD23      LEU  28  32.999   2.578   2.578
  249   2HD2  LEU  28          HD22      LEU  28  33.574   2.988   2.988
  250   3HD2  LEU  28          HD21      LEU  28  32.104   2.034   2.034
  251    H    GLN  29          HN        GLN  29  34.419   7.420   7.420
  252    HA   GLN  29          HA        GLN  29  36.453   6.580   6.580
  253   1HB   GLN  29          HB2       GLN  29  36.826   6.799   6.799
  254   2HB   GLN  29          HB1       GLN  29  36.750   8.549   8.549
  255   1HG   GLN  29          HG2       GLN  29  38.755   8.639   8.639
  256   2HG   GLN  29          HG1       GLN  29  38.583   7.004   7.004
  257   1HE2  GLN  29          HE22      GLN  29  41.082   6.265   6.265
  258   2HE2  GLN  29          HE21      GLN  29  40.838   6.606   6.606
  259    H    ASP  30          HN        ASP  30  34.415   9.340   9.340
  260    HA   ASP  30          HA        ASP  30  35.910  10.690  10.690
  261   1HB   ASP  30          HB2       ASP  30  35.952  11.634  11.634
  262   2HB   ASP  30          HB1       ASP  30  34.565  12.495  12.495
  263    H    VAL  31          HN        VAL  31  33.685   9.042   9.042
  264    HA   VAL  31          HA        VAL  31  31.320  10.807  10.807
  265    HB   VAL  31          HB        VAL  31  31.123   8.410   8.410
  266   1HG1  VAL  31          HG11      VAL  31  32.735   8.030   8.030
  267   2HG1  VAL  31          HG13      VAL  31  31.183   7.259   7.259
  268   3HG1  VAL  31          HG12      VAL  31  32.114   6.793   6.793
  269   1HG2  VAL  31          HG22      VAL  31  29.563   9.866   9.866
  270   2HG2  VAL  31          HG21      VAL  31  29.010   8.678   8.678
  271   3HG2  VAL  31          HG23      VAL  31  29.514   8.155   8.155
  272    H    HIS  32          HN        HIS  32  33.030  12.006  12.006
  273    HA   HIS  32          HA        HIS  32  31.906  11.938  11.938
  274   1HB   HIS  32          HB2       HIS  32  33.525   9.757   9.757
  275   2HB   HIS  32          HB1       HIS  32  34.669  10.939  10.939
  276    HD1  HIS  32          HD1       HIS  32  33.541   8.462   8.462
  277    HD2  HIS  32          HD2       HIS  32  32.157  12.387  12.387
  278    HE1  HIS  32          HE1       HIS  32  32.424   8.677   8.677
  279    H    ASN  33          HN        ASN  33  34.809  12.589  12.589
  280    HA   ASN  33          HA        ASN  33  36.058  14.572  14.572
  281   1HB   ASN  33          HB2       ASN  33  34.098  15.821  15.821
  282   2HB   ASN  33          HB1       ASN  33  35.086  16.628  16.628
  283   1HD2  ASN  33          HD22      ASN  33  32.696  16.195  16.195
  284   2HD2  ASN  33          HD21      ASN  33  34.134  16.938  16.938
  285    H    PHE  34          HN        PHE  34  37.870  13.754  13.754
  286    HA   PHE  34          HA        PHE  34  37.986  13.609  13.609
  287   1HB   PHE  34          HB2       PHE  34  40.342  13.678  13.678
  288   2HB   PHE  34          HB1       PHE  34  40.255  12.922  12.922
  289    HD1  PHE  34          HD2       PHE  34  38.177  11.196  11.196
  290    HD2  PHE  34          HD1       PHE  34  40.175  12.262  12.262
  291    HE1  PHE  34          HE2       PHE  34  37.395   9.086   9.086
  292    HE2  PHE  34          HE1       PHE  34  39.393  10.154  10.154
  293    HZ   PHE  34          HZ        PHE  34  38.003   8.565   8.565

  Start of MODEL    7
    1   1H    SER   1          HT3       SER   1   5.512  17.052  17.052
    2   2H    SER   1          HT2       SER   1   5.649  17.060  17.060
    3   3H    SER   1          HT1       SER   1   5.014  18.411  18.411
    4    HA   SER   1          HA        SER   1   7.085  18.995  18.995
    5   1HB   SER   1          HB2       SER   1   6.653  19.266  19.266
    6   2HB   SER   1          HB1       SER   1   7.879  18.013  18.013
    7    HG   SER   1          HG        SER   1   9.171  19.408  19.408
    8    H    VAL   2          HN        VAL   2   7.481  17.204  17.204
    9    HA   VAL   2          HA        VAL   2   8.688  15.355  15.355
   10    HB   VAL   2          HB        VAL   2  11.057  15.557  15.557
   11   1HG1  VAL   2          HG12      VAL   2   9.380  17.792  17.792
   12   2HG1  VAL   2          HG11      VAL   2  10.753  18.380  18.380
   13   3HG1  VAL   2          HG13      VAL   2  11.024  17.505  17.505
   14   1HG2  VAL   2          HG23      VAL   2  10.785  15.671  15.671
   15   2HG2  VAL   2          HG22      VAL   2  12.077  16.638  16.638
   16   3HG2  VAL   2          HG21      VAL   2  10.566  17.406  17.406
   17    H    SER   3          HN        SER   3  10.510  13.636  13.636
   18    HA   SER   3          HA        SER   3   8.941  12.245  12.245
   19   1HB   SER   3          HB2       SER   3  10.785  11.448  11.448
   20   2HB   SER   3          HB1       SER   3  10.978  10.541  10.541
   21    HG   SER   3          HG        SER   3   8.610  10.319  10.319
   22    H    GLU   4          HN        GLU   4  10.017  11.376  11.376
   23    HA   GLU   4          HA        GLU   4  12.134  13.164  13.164
   24   1HB   GLU   4          HB2       GLU   4  10.132  11.349  11.349
   25   2HB   GLU   4          HB1       GLU   4  11.705  11.241  11.241
   26   1HG   GLU   4          HG2       GLU   4  11.666  13.809  13.809
   27   2HG   GLU   4          HG1       GLU   4   9.955  13.679  13.679
   28    H    ILE   5          HN        ILE   5  11.677   9.634   9.634
   29    HA   ILE   5          HA        ILE   5  14.593   9.231   9.231
   30    HB   ILE   5          HB        ILE   5  12.361   7.225   7.225
   31   1HG1  ILE   5          HG12      ILE   5  13.402   6.946   6.946
   32   2HG1  ILE   5          HG11      ILE   5  13.259   8.690   8.690
   33   1HG2  ILE   5          HG23      ILE   5  15.146   6.948   6.948
   34   2HG2  ILE   5          HG22      ILE   5  14.755   6.273   6.273
   35   3HG2  ILE   5          HG21      ILE   5  13.964   5.645   5.645
   36   1HD1  ILE   5          HD12      ILE   5  10.986   6.920   6.920
   37   2HD1  ILE   5          HD11      ILE   5  11.190   7.305   7.305
   38   3HD1  ILE   5          HD13      ILE   5  10.952   8.600   8.600
   39    H    GLN   6          HN        GLN   6  13.852  10.719  10.719
   40    HA   GLN   6          HA        GLN   6  13.992   8.806   8.806
   41   1HB   GLN   6          HB2       GLN   6  12.403  10.539  10.539
   42   2HB   GLN   6          HB1       GLN   6  13.498  11.787  11.787
   43   1HG   GLN   6          HG2       GLN   6  15.011  11.332  11.332
   44   2HG   GLN   6          HG1       GLN   6  13.839  10.164  10.164
   45   1HE2  GLN   6          HE22      GLN   6  12.934  14.171  14.171
   46   2HE2  GLN   6          HE21      GLN   6  14.113  13.637  13.637
   47    H    LEU   7          HN        LEU   7  15.813  11.602  11.602
   48    HA   LEU   7          HA        LEU   7  17.970  11.303  11.303
   49   1HB   LEU   7          HB2       LEU   7  17.306  13.100  13.100
   50   2HB   LEU   7          HB1       LEU   7  18.911  12.457  12.457
   51    HG   LEU   7          HG        LEU   7  19.244  14.386  14.386
   52   1HD1  LEU   7          HD13      LEU   7  20.104  11.853  11.853
   53   2HD1  LEU   7          HD12      LEU   7  19.441  12.482  12.482
   54   3HD1  LEU   7          HD11      LEU   7  20.717  13.364  13.364
   55   1HD2  LEU   7          HD23      LEU   7  16.867  14.417  14.417
   56   2HD2  LEU   7          HD22      LEU   7  18.074  14.738  14.738
   57   3HD2  LEU   7          HD21      LEU   7  17.316  13.149  13.149
   58   1HN   NLE   8          HN        NLE   8  16.988   9.447   9.447
   59    HA   NLE   8          HA        NLE   8  19.667   8.436   8.436
   60   1HB   NLE   8          HB1       NLE   8  18.116   6.756   6.756
   61   2HB   NLE   8          HB2       NLE   8  16.859   7.942   7.942
   62   1HG   NLE   8          HG1       NLE   8  18.720   9.636   9.636
   63   2HG   NLE   8          HG2       NLE   8  19.286   8.196   8.196
   64   1HD   NLE   8          HD1       NLE   8  17.421   8.096   8.096
   65   2HD   NLE   8          HD2       NLE   8  16.360   8.746   8.746
   66   1HE   NLE   8          HE1       NLE   8  18.317  10.732  10.732
   67   2HE   NLE   8          HE2       NLE   8  17.488  10.141  10.141
   68   3HE   NLE   8          HE3       NLE   8  16.558  10.821  10.821
   69    H    HIS   9          HN        HIS   9  16.980   7.747   7.747
   70    HA   HIS   9          HA        HIS   9  17.479   4.964   4.964
   71   1HB   HIS   9          HB2       HIS   9  15.576   5.193   5.193
   72   2HB   HIS   9          HB1       HIS   9  15.593   6.899   6.899
   73    HD1  HIS   9          HD1       HIS   9  16.379   4.511   4.511
   74    HD2  HIS   9          HD2       HIS   9  16.511   8.620   8.620
   75    HE1  HIS   9          HE1       HIS   9  16.747   5.609   5.609
   76    H    ASN  10          HN        ASN  10  19.075   7.853   7.853
   77    HA   ASN  10          HA        ASN  10  20.352   6.639   6.639
   78   1HB   ASN  10          HB2       ASN  10  20.929   9.244   9.244
   79   2HB   ASN  10          HB1       ASN  10  21.608   8.765   8.765
   80   1HD2  ASN  10          HD22      ASN  10  17.708  10.006  10.006
   81   2HD2  ASN  10          HD21      ASN  10  18.552   9.633   9.633
   82    H    LEU  11          HN        LEU  11  21.226   7.422   7.422
   83    HA   LEU  11          HA        LEU  11  23.985   6.927   6.927
   84   1HB   LEU  11          HB2       LEU  11  22.214   7.428   7.428
   85   2HB   LEU  11          HB1       LEU  11  22.544   5.721   5.721
   86    HG   LEU  11          HG        LEU  11  24.164   7.000   7.000
   87   1HD1  LEU  11          HD11      LEU  11  25.387   5.922   5.922
   88   2HD1  LEU  11          HD13      LEU  11  26.274   6.242   6.242
   89   3HD1  LEU  11          HD12      LEU  11  25.034   4.989   4.989
   90   1HD2  LEU  11          HD23      LEU  11  24.440   8.485   8.485
   91   2HD2  LEU  11          HD22      LEU  11  24.183   9.135   9.135
   92   3HD2  LEU  11          HD21      LEU  11  25.760   8.487   8.487
   93    H    GLY  12          HN        GLY  12  21.358   4.542   4.542
   94   1HA   GLY  12          HA2       GLY  12  21.413   2.338   2.338
   95   2HA   GLY  12          HA1       GLY  12  23.164   2.483   2.483
   96   1HN   ORN  13          HN        ORN  13  21.890   3.529   3.529
   97    HA   ORN  13          HA        ORN  13  21.698   2.472   2.472
   98   1HB   ORN  13          HB1       ORN  13  22.755  -0.060  -0.060
   99   2HB   ORN  13          HB2       ORN  13  21.044   0.368   0.368
  100   1HG   ORN  13          HG1       ORN  13  20.851   0.100   0.100
  101   2HG   ORN  13          HG2       ORN  13  22.556   0.451   0.451
  102   1HD   ORN  13          HD1       ORN  13  22.365  -1.884  -1.884
  103   2HD   ORN  13          HD2       ORN  13  21.310  -2.101  -2.101
  104   1HNE  ORN  13          HE1       ORN  13  23.723  -1.117  -1.117
  105    H    HIS  14          HN        HIS  14  24.546   1.967   1.967
  106    HA   HIS  14          HA        HIS  14  26.780   2.459   2.459
  107   1HB   HIS  14          HB2       HIS  14  25.559   4.017   4.017
  108   2HB   HIS  14          HB1       HIS  14  26.155   2.792   2.792
  109    HD1  HIS  14          HD1       HIS  14  27.865   4.555   4.555
  110    HD2  HIS  14          HD2       HIS  14  28.447   3.605   3.605
  111    HE1  HIS  14          HE1       HIS  14  30.166   5.416   5.416
  112    H    LEU  15          HN        LEU  15  28.437   1.098   1.098
  113    HA   LEU  15          HA        LEU  15  27.600  -1.577  -1.577
  114   1HB   LEU  15          HB2       LEU  15  30.482  -0.809  -0.809
  115   2HB   LEU  15          HB1       LEU  15  29.675  -2.296  -2.296
  116    HG   LEU  15          HG        LEU  15  29.602   0.400   0.400
  117   1HD1  LEU  15          HD11      LEU  15  31.080  -2.029  -2.029
  118   2HD1  LEU  15          HD13      LEU  15  30.021  -1.815  -1.815
  119   3HD1  LEU  15          HD12      LEU  15  31.168  -0.549  -0.549
  120   1HD2  LEU  15          HD23      LEU  15  27.545  -1.637  -1.637
  121   2HD2  LEU  15          HD22      LEU  15  27.498  -0.076  -0.076
  122   3HD2  LEU  15          HD21      LEU  15  28.141  -1.490  -1.490
  123    H    ASN  16          HN        ASN  16  27.491   0.740   0.740
  124    HA   ASN  16          HA        ASN  16  29.547   0.181   0.181
  125   1HB   ASN  16          HB2       ASN  16  28.542   2.408   2.408
  126   2HB   ASN  16          HB1       ASN  16  26.942   1.723   1.723
  127   1HD2  ASN  16          HD22      ASN  16  27.659   2.547   2.547
  128   2HD2  ASN  16          HD21      ASN  16  26.818   3.042   3.042
  129    H    GLU  17          HN        GLU  17  26.489  -1.153  -1.153
  130    HA   GLU  17          HA        GLU  17  25.764  -2.231  -2.231
  131   1HB   GLU  17          HB2       GLU  17  24.273  -3.733  -3.733
  132   2HB   GLU  17          HB1       GLU  17  24.097  -2.038  -2.038
  133   1HG   GLU  17          HG2       GLU  17  25.931  -2.605  -2.605
  134   2HG   GLU  17          HG1       GLU  17  25.423  -4.271  -4.271
  135   1HN   NLE  18          HN        NLE  18  27.831  -3.364  -3.364
  136    HA   NLE  18          HA        NLE  18  28.429  -5.804  -5.804
  137   1HB   NLE  18          HB1       NLE  18  29.282  -5.638  -5.638
  138   2HB   NLE  18          HB2       NLE  18  27.555  -5.823  -5.823
  139   1HG   NLE  18          HG1       NLE  18  28.773  -7.622  -7.622
  140   2HG   NLE  18          HG2       NLE  18  29.700  -7.777  -7.777
  141   1HD   NLE  18          HD1       NLE  18  27.422  -7.908  -7.908
  142   2HD   NLE  18          HD2       NLE  18  26.728  -8.158  -8.158
  143   1HE   NLE  18          HE1       NLE  18  28.161 -10.034 -10.034
  144   2HE   NLE  18          HE2       NLE  18  27.226 -10.347 -10.347
  145   3HE   NLE  18          HE3       NLE  18  28.927  -9.897  -9.897
  146    H    GLU  19          HN        GLU  19  29.560  -2.973  -2.973
  147    HA   GLU  19          HA        GLU  19  32.372  -3.470  -3.470
  148   1HB   GLU  19          HB2       GLU  19  30.811  -1.175  -1.175
  149   2HB   GLU  19          HB1       GLU  19  31.829  -1.009  -1.009
  150   1HG   GLU  19          HG2       GLU  19  32.916  -0.028  -0.028
  151   2HG   GLU  19          HG1       GLU  19  33.837  -1.397  -1.397
  152    H    ARG  20          HN        ARG  20  30.311  -3.651  -3.651
  153    HA   ARG  20          HA        ARG  20  32.515  -3.464  -3.464
  154   1HB   ARG  20          HB2       ARG  20  29.736  -4.509  -4.509
  155   2HB   ARG  20          HB1       ARG  20  30.839  -3.657  -3.657
  156   1HG   ARG  20          HG2       ARG  20  30.598  -1.625  -1.625
  157   2HG   ARG  20          HG1       ARG  20  29.357  -2.485  -2.485
  158   1HD   ARG  20          HD2       ARG  20  27.804  -2.250  -2.250
  159   2HD   ARG  20          HD1       ARG  20  28.987  -2.511  -2.511
  160    HE   ARG  20          HE        ARG  20  29.660  -0.126  -0.126
  161   1HH1  ARG  20          HH21      ARG  20  27.413  -0.791  -0.791
  162   2HH1  ARG  20          HH22      ARG  20  26.403   0.578   0.578
  163   1HH2  ARG  20          HH11      ARG  20  28.066   1.464   1.464
  164   2HH2  ARG  20          HH12      ARG  20  26.771   1.855   1.855
  165    H    VAL  21          HN        VAL  21  30.423  -6.057  -6.057
  166    HA   VAL  21          HA        VAL  21  31.429  -8.225  -8.225
  167    HB   VAL  21          HB        VAL  21  31.085  -9.604  -9.604
  168   1HG1  VAL  21          HG13      VAL  21  29.089  -7.344  -7.344
  169   2HG1  VAL  21          HG12      VAL  21  28.777  -8.832  -8.832
  170   3HG1  VAL  21          HG11      VAL  21  29.064  -8.891  -8.891
  171   1HG2  VAL  21          HG23      VAL  21  32.191  -7.638  -7.638
  172   2HG2  VAL  21          HG22      VAL  21  31.066  -8.775  -8.775
  173   3HG2  VAL  21          HG21      VAL  21  30.504  -7.182  -7.182
  174    H    GLU  22          HN        GLU  22  32.997  -6.130  -6.130
  175    HA   GLU  22          HA        GLU  22  35.424  -7.642  -7.642
  176   1HB   GLU  22          HB2       GLU  22  35.468  -5.934  -5.934
  177   2HB   GLU  22          HB1       GLU  22  34.337  -4.969  -4.969
  178   1HG   GLU  22          HG2       GLU  22  36.018  -3.871  -3.871
  179   2HG   GLU  22          HG1       GLU  22  37.165  -5.199  -5.199
  180    H    TRP  23          HN        TRP  23  34.856  -4.650  -4.650
  181    HA   TRP  23          HA        TRP  23  37.226  -4.816  -4.816
  182   1HB   TRP  23          HB2       TRP  23  36.607  -2.751  -2.751
  183   2HB   TRP  23          HB1       TRP  23  35.570  -2.854  -2.854
  184    HD1  TRP  23          HD1       TRP  23  33.331  -1.905  -1.905
  185    HE1  TRP  23          HE1       TRP  23  31.765  -1.748  -1.748
  186    HE3  TRP  23          HE3       TRP  23  36.050  -4.531  -4.531
  187    HZ2  TRP  23          HZ2       TRP  23  31.722  -2.638  -2.638
  188    HZ3  TRP  23          HZ3       TRP  23  35.290  -4.888  -4.888
  189    HH2  TRP  23          HH2       TRP  23  33.115  -3.951  -3.951
  190    H    LEU  24          HN        LEU  24  33.879  -5.462  -5.462
  191    HA   LEU  24          HA        LEU  24  33.972  -6.341  -6.341
  192   1HB   LEU  24          HB2       LEU  24  32.587  -7.200  -7.200
  193   2HB   LEU  24          HB1       LEU  24  32.766  -8.499  -8.499
  194    HG   LEU  24          HG        LEU  24  31.623  -7.259  -7.259
  195   1HD1  LEU  24          HD12      LEU  24  32.739  -5.097  -5.097
  196   2HD1  LEU  24          HD11      LEU  24  31.598  -4.926  -4.926
  197   3HD1  LEU  24          HD13      LEU  24  31.021  -4.924  -4.924
  198   1HD2  LEU  24          HD23      LEU  24  30.380  -7.139  -7.139
  199   2HD2  LEU  24          HD22      LEU  24  29.973  -8.197  -8.197
  200   3HD2  LEU  24          HD21      LEU  24  29.512  -6.496  -6.496
  201    H    ARG  25          HN        ARG  25  35.463  -8.018  -8.018
  202    HA   ARG  25          HA        ARG  25  36.205 -10.409 -10.409
  203   1HB   ARG  25          HB2       ARG  25  36.293 -10.356 -10.356
  204   2HB   ARG  25          HB1       ARG  25  37.434  -9.011  -9.011
  205   1HG   ARG  25          HG2       ARG  25  39.214 -10.359 -10.359
  206   2HG   ARG  25          HG1       ARG  25  38.277 -11.396 -11.396
  207   1HD   ARG  25          HD2       ARG  25  37.774 -12.857 -12.857
  208   2HD   ARG  25          HD1       ARG  25  37.448 -11.566 -11.566
  209    HE   ARG  25          HE        ARG  25  39.596 -11.984 -11.984
  210   1HH1  ARG  25          HH11      ARG  25  41.058 -10.774 -10.774
  211   2HH1  ARG  25          HH12      ARG  25  41.998 -12.092 -12.092
  212   1HH2  ARG  25          HH21      ARG  25  40.110 -14.528 -14.528
  213   2HH2  ARG  25          HH22      ARG  25  41.461 -14.218 -14.218
  214    H    LYS  26          HN        LYS  26  38.183  -7.523  -7.523
  215    HA   LYS  26          HA        LYS  26  40.339  -8.389  -8.389
  216   1HB   LYS  26          HB2       LYS  26  39.759  -6.021  -6.021
  217   2HB   LYS  26          HB1       LYS  26  40.930  -5.808  -5.808
  218   1HG   LYS  26          HG2       LYS  26  42.390  -6.618  -6.618
  219   2HG   LYS  26          HG1       LYS  26  41.781  -8.175  -8.175
  220   1HD   LYS  26          HD2       LYS  26  40.064  -8.132  -8.132
  221   2HD   LYS  26          HD1       LYS  26  40.726  -6.603  -6.603
  222   1HE   LYS  26          HE2       LYS  26  42.732  -7.594  -7.594
  223   2HE   LYS  26          HE1       LYS  26  42.504  -9.013  -9.013
  224   1HZ   LYS  26          HZ3       LYS  26  40.728  -8.332  -8.332
  225   2HZ   LYS  26          HZ2       LYS  26  42.061  -9.376  -9.376
  226   3HZ   LYS  26          HZ1       LYS  26  40.762  -9.779  -9.779
  227    H    LYS  27          HN        LYS  27  37.354  -7.421  -7.421
  228    HA   LYS  27          HA        LYS  27  37.424  -5.279  -5.279
  229   1HB   LYS  27          HB2       LYS  27  35.461  -6.792  -6.792
  230   2HB   LYS  27          HB1       LYS  27  36.240  -7.980  -7.980
  231   1HG   LYS  27          HG2       LYS  27  36.120  -5.271  -5.271
  232   2HG   LYS  27          HG1       LYS  27  34.540  -6.010  -6.010
  233   1HD   LYS  27          HD2       LYS  27  35.598  -8.115  -8.115
  234   2HD   LYS  27          HD1       LYS  27  36.806  -6.983  -6.983
  235   1HE   LYS  27          HE2       LYS  27  33.832  -7.009  -7.009
  236   2HE   LYS  27          HE1       LYS  27  35.148  -7.044  -7.044
  237   1HZ   LYS  27          HZ2       LYS  27  35.769  -4.790  -4.790
  238   2HZ   LYS  27          HZ1       LYS  27  34.293  -4.775  -4.775
  239   3HZ   LYS  27          HZ3       LYS  27  34.301  -4.860  -4.860
  240    H    LEU  28          HN        LEU  28  38.423  -8.601  -8.601
  241    HA   LEU  28          HA        LEU  28  39.433  -7.843  -7.843
  242   1HB   LEU  28          HB2       LEU  28  39.965 -10.179 -10.179
  243   2HB   LEU  28          HB1       LEU  28  40.842  -9.998  -9.998
  244    HG   LEU  28          HG        LEU  28  38.093  -9.529  -9.529
  245   1HD1  LEU  28          HD11      LEU  28  38.622 -12.041 -12.041
  246   2HD1  LEU  28          HD13      LEU  28  37.158 -11.740 -11.740
  247   3HD1  LEU  28          HD12      LEU  28  37.545 -10.716 -10.716
  248   1HD2  LEU  28          HD22      LEU  28  40.214 -11.526 -11.526
  249   2HD2  LEU  28          HD21      LEU  28  39.316 -10.440 -10.440
  250   3HD2  LEU  28          HD23      LEU  28  38.550 -11.905 -11.905
  251    H    GLN  29          HN        GLN  29  40.926  -7.991  -7.991
  252    HA   GLN  29          HA        GLN  29  43.536  -7.167  -7.167
  253   1HB   GLN  29          HB2       GLN  29  42.669  -8.508  -8.508
  254   2HB   GLN  29          HB1       GLN  29  43.397  -6.991  -6.991
  255   1HG   GLN  29          HG2       GLN  29  45.301  -7.592  -7.592
  256   2HG   GLN  29          HG1       GLN  29  44.646  -9.228  -9.228
  257   1HE2  GLN  29          HE22      GLN  29  45.739  -9.766  -9.766
  258   2HE2  GLN  29          HE21      GLN  29  44.687 -10.307 -10.307
  259    H    ASP  30          HN        ASP  30  41.409  -5.334  -5.334
  260    HA   ASP  30          HA        ASP  30  42.388  -3.019  -3.019
  261   1HB   ASP  30          HB2       ASP  30  40.048  -3.907  -3.907
  262   2HB   ASP  30          HB1       ASP  30  39.510  -3.263  -3.263
  263    H    VAL  31          HN        VAL  31  42.697  -4.260  -4.260
  264    HA   VAL  31          HA        VAL  31  41.788  -1.934  -1.934
  265    HB   VAL  31          HB        VAL  31  42.908  -4.642  -4.642
  266   1HG1  VAL  31          HG13      VAL  31  42.903  -2.155  -2.155
  267   2HG1  VAL  31          HG12      VAL  31  41.784  -3.276  -3.276
  268   3HG1  VAL  31          HG11      VAL  31  43.470  -3.737  -3.737
  269   1HG2  VAL  31          HG22      VAL  31  40.202  -3.394  -3.394
  270   2HG2  VAL  31          HG21      VAL  31  40.688  -5.065  -5.065
  271   3HG2  VAL  31          HG23      VAL  31  40.507  -4.470  -4.470
  272    H    HIS  32          HN        HIS  32  43.383  -0.442  -0.442
  273    HA   HIS  32          HA        HIS  32  45.428   0.701   0.701
  274   1HB   HIS  32          HB2       HIS  32  45.204  -0.836  -0.836
  275   2HB   HIS  32          HB1       HIS  32  46.826  -1.163  -1.163
  276    HD1  HIS  32          HD1       HIS  32  48.516   0.488   0.488
  277    HD2  HIS  32          HD2       HIS  32  44.724   2.204   2.204
  278    HE1  HIS  32          HE1       HIS  32  48.764   2.890   2.890
  279    H    ASN  33          HN        ASN  33  45.471  -0.390  -0.390
  280    HA   ASN  33          HA        ASN  33  46.853  -2.680  -2.680
  281   1HB   ASN  33          HB2       ASN  33  46.056  -0.351  -0.351
  282   2HB   ASN  33          HB1       ASN  33  47.793  -0.450  -0.450
  283   1HD2  ASN  33          HD22      ASN  33  45.346  -3.384  -3.384
  284   2HD2  ASN  33          HD21      ASN  33  44.777  -2.381  -2.381
  285    H    PHE  34          HN        PHE  34  48.192   0.270   0.270
  286    HA   PHE  34          HA        PHE  34  50.313   0.619   0.619
  287   1HB   PHE  34          HB2       PHE  34  50.038  -2.209  -2.209
  288   2HB   PHE  34          HB1       PHE  34  51.652  -1.837  -1.837
  289    HD1  PHE  34          HD1       PHE  34  52.579   0.444   0.444
  290    HD2  PHE  34          HD2       PHE  34  50.089  -2.722  -2.722
  291    HE1  PHE  34          HE1       PHE  34  53.339   0.934   0.934
  292    HE2  PHE  34          HE2       PHE  34  50.850  -2.233  -2.233
  293    HZ   PHE  34          HZ        PHE  34  52.474  -0.404  -0.404

  Start of MODEL    8
    1   1H    SER   1          HT3       SER   1   8.607  18.116  18.116
    2   2H    SER   1          HT2       SER   1  10.108  18.512  18.512
    3   3H    SER   1          HT1       SER   1   8.924  17.722  17.722
    4    HA   SER   1          HA        SER   1   9.443  15.707  15.707
    5   1HB   SER   1          HB2       SER   1  11.871  17.039  17.039
    6   2HB   SER   1          HB1       SER   1  11.762  15.461  15.461
    7    HG   SER   1          HG        SER   1  10.985  16.944  16.944
    8    H    VAL   2          HN        VAL   2  10.924  14.831  14.831
    9    HA   VAL   2          HA        VAL   2  10.058  15.987  15.987
   10    HB   VAL   2          HB        VAL   2   7.822  15.363  15.363
   11   1HG1  VAL   2          HG11      VAL   2   9.073  13.447  13.447
   12   2HG1  VAL   2          HG13      VAL   2   8.131  12.518  12.518
   13   3HG1  VAL   2          HG12      VAL   2   7.340  13.731  13.731
   14   1HG2  VAL   2          HG23      VAL   2   9.090  13.165  13.165
   15   2HG2  VAL   2          HG22      VAL   2   8.452  14.696  14.696
   16   3HG2  VAL   2          HG21      VAL   2   7.358  13.488  13.488
   17    H    SER   3          HN        SER   3  10.802  14.725  14.725
   18    HA   SER   3          HA        SER   3  13.156  13.219  13.219
   19   1HB   SER   3          HB2       SER   3  11.462  12.738  12.738
   20   2HB   SER   3          HB1       SER   3  13.214  12.868  12.868
   21    HG   SER   3          HG        SER   3  12.415  14.765  14.765
   22    H    GLU   4          HN        GLU   4  12.956  11.467  11.467
   23    HA   GLU   4          HA        GLU   4  10.767   9.534   9.534
   24   1HB   GLU   4          HB2       GLU   4  13.120   9.240   9.240
   25   2HB   GLU   4          HB1       GLU   4  11.521   8.510   8.510
   26   1HG   GLU   4          HG2       GLU   4  10.922  10.255  10.255
   27   2HG   GLU   4          HG1       GLU   4  11.051  11.276  11.276
   28    H    ILE   5          HN        ILE   5  14.210   9.822   9.822
   29    HA   ILE   5          HA        ILE   5  14.307   7.008   7.008
   30    HB   ILE   5          HB        ILE   5  16.596   8.941   8.941
   31   1HG1  ILE   5          HG12      ILE   5  15.773   9.288   9.288
   32   2HG1  ILE   5          HG11      ILE   5  17.231   8.298   8.298
   33   1HG2  ILE   5          HG23      ILE   5  16.742   6.629   6.629
   34   2HG2  ILE   5          HG22      ILE   5  16.421   5.993   5.993
   35   3HG2  ILE   5          HG21      ILE   5  17.898   6.905   6.905
   36   1HD1  ILE   5          HD11      ILE   5  15.046   6.516   6.516
   37   2HD1  ILE   5          HD13      ILE   5  14.589   7.656   7.656
   38   3HD1  ILE   5          HD12      ILE   5  16.070   6.712   6.712
   39    H    GLN   6          HN        GLN   6  12.773   9.208   9.208
   40    HA   GLN   6          HA        GLN   6  14.270   9.594   9.594
   41   1HB   GLN   6          HB2       GLN   6  12.821  11.406  11.406
   42   2HB   GLN   6          HB1       GLN   6  11.429  10.324  10.324
   43   1HG   GLN   6          HG2       GLN   6  11.053  10.839  10.839
   44   2HG   GLN   6          HG1       GLN   6  12.619  10.144  10.144
   45   1HE2  GLN   6          HE22      GLN   6  12.249  13.997  13.997
   46   2HE2  GLN   6          HE21      GLN   6  11.023  12.827  12.827
   47    H    LEU   7          HN        LEU   7  11.639   7.596   7.596
   48    HA   LEU   7          HA        LEU   7  10.918   6.516   6.516
   49   1HB   LEU   7          HB2       LEU   7  10.258   5.926   5.926
   50   2HB   LEU   7          HB1       LEU   7  10.045   4.605   4.605
   51    HG   LEU   7          HG        LEU   7   7.996   6.044   6.044
   52   1HD1  LEU   7          HD13      LEU   7   8.624   4.734   4.734
   53   2HD1  LEU   7          HD12      LEU   7   9.169   6.271   6.271
   54   3HD1  LEU   7          HD11      LEU   7   7.477   6.054   6.054
   55   1HD2  LEU   7          HD21      LEU   7   9.803   8.096   8.096
   56   2HD2  LEU   7          HD23      LEU   7   9.134   8.201   8.201
   57   3HD2  LEU   7          HD22      LEU   7   8.064   8.282   8.282
   58   1HN   NLE   8          HN        NLE   8  13.551   6.106   6.106
   59    HA   NLE   8          HA        NLE   8  14.159   3.351   3.351
   60   1HB   NLE   8          HB1       NLE   8  16.104   5.154   5.154
   61   2HB   NLE   8          HB2       NLE   8  14.752   4.447   4.447
   62   1HG   NLE   8          HG1       NLE   8  15.494   2.199   2.199
   63   2HG   NLE   8          HG2       NLE   8  16.983   3.021   3.021
   64   1HD   NLE   8          HD1       NLE   8  16.952   3.798   3.798
   65   2HD   NLE   8          HD2       NLE   8  15.944   2.363   2.363
   66   1HE   NLE   8          HE1       NLE   8  17.996   1.354   1.354
   67   2HE   NLE   8          HE2       NLE   8  17.907   1.307   1.307
   68   3HE   NLE   8          HE3       NLE   8  18.828   2.579   2.579
   69    H    HIS   9          HN        HIS   9  14.655   6.595   6.595
   70    HA   HIS   9          HA        HIS   9  17.107   6.159   6.159
   71   1HB   HIS   9          HB2       HIS   9  17.120   8.424   8.424
   72   2HB   HIS   9          HB1       HIS   9  15.619   8.373   8.373
   73    HD1  HIS   9          HD1       HIS   9  16.958   8.843   8.843
   74    HD2  HIS   9          HD2       HIS   9  13.288   8.984   8.984
   75    HE1  HIS   9          HE1       HIS   9  15.305   9.850   9.850
   76    H    ASN  10          HN        ASN  10  13.973   5.145   5.145
   77    HA   ASN  10          HA        ASN  10  13.844   5.584   5.584
   78   1HB   ASN  10          HB2       ASN  10  12.099   4.020   4.020
   79   2HB   ASN  10          HB1       ASN  10  11.771   4.164   4.164
   80   1HD2  ASN  10          HD22      ASN  10  11.435   7.554   7.554
   81   2HD2  ASN  10          HD21      ASN  10  12.511   6.332   6.332
   82    H    LEU  11          HN        LEU  11  14.278   2.791   2.791
   83    HA   LEU  11          HA        LEU  11  14.939   1.093   1.093
   84   1HB   LEU  11          HB2       LEU  11  14.020   0.644   0.644
   85   2HB   LEU  11          HB1       LEU  11  15.338  -0.435  -0.435
   86    HG   LEU  11          HG        LEU  11  14.067  -0.961  -0.961
   87   1HD1  LEU  11          HD12      LEU  11  12.674   1.202   1.202
   88   2HD1  LEU  11          HD11      LEU  11  11.697   0.275   0.275
   89   3HD1  LEU  11          HD13      LEU  11  11.829  -0.247  -0.247
   90   1HD2  LEU  11          HD23      LEU  11  12.678  -1.531  -1.531
   91   2HD2  LEU  11          HD22      LEU  11  13.987  -2.478  -2.478
   92   3HD2  LEU  11          HD21      LEU  11  12.411  -2.424  -2.424
   93    H    GLY  12          HN        GLY  12  16.456   2.026   2.026
   94   1HA   GLY  12          HA2       GLY  12  18.766   2.633   2.633
   95   2HA   GLY  12          HA1       GLY  12  19.089   1.990   1.990
   96   1HN   ORN  13          HN        ORN  13  17.158   0.031   0.031
   97    HA   ORN  13          HA        ORN  13  17.562  -2.169  -2.169
   98   1HB   ORN  13          HB1       ORN  13  18.433  -0.670  -0.670
   99   2HB   ORN  13          HB2       ORN  13  19.154  -2.278  -2.278
  100   1HG   ORN  13          HG1       ORN  13  21.004  -1.212  -1.212
  101   2HG   ORN  13          HG2       ORN  13  20.353   0.340   0.340
  102   1HD   ORN  13          HD1       ORN  13  21.607   0.126   0.126
  103   2HD   ORN  13          HD2       ORN  13  20.548  -1.201  -1.201
  104   1HNE  ORN  13          HE1       ORN  13  22.302  -2.682  -2.682
  105    H    HIS  14          HN        HIS  14  18.743  -1.468  -1.468
  106    HA   HIS  14          HA        HIS  14  20.009  -2.660  -2.660
  107   1HB   HIS  14          HB2       HIS  14  20.956  -4.426  -4.426
  108   2HB   HIS  14          HB1       HIS  14  20.863  -4.814  -4.814
  109    HD1  HIS  14          HD1       HIS  14  19.001  -5.187  -5.187
  110    HD2  HIS  14          HD2       HIS  14  17.989  -4.739  -4.739
  111    HE1  HIS  14          HE1       HIS  14  16.595  -5.947  -5.947
  112    H    LEU  15          HN        LEU  15  22.004  -2.201  -2.201
  113    HA   LEU  15          HA        LEU  15  23.815  -0.640  -0.640
  114   1HB   LEU  15          HB2       LEU  15  25.100  -0.415  -0.415
  115   2HB   LEU  15          HB1       LEU  15  23.457   0.227   0.227
  116    HG   LEU  15          HG        LEU  15  23.438  -2.585  -2.585
  117   1HD1  LEU  15          HD13      LEU  15  25.756  -1.312  -1.312
  118   2HD1  LEU  15          HD12      LEU  15  24.663  -1.228  -1.228
  119   3HD1  LEU  15          HD11      LEU  15  25.061  -2.790  -2.790
  120   1HD2  LEU  15          HD21      LEU  15  21.868  -0.478  -0.478
  121   2HD2  LEU  15          HD23      LEU  15  21.913  -1.860  -1.860
  122   3HD2  LEU  15          HD22      LEU  15  22.837  -0.405  -0.405
  123    H    ASN  16          HN        ASN  16  23.580  -3.565  -3.565
  124    HA   ASN  16          HA        ASN  16  26.110  -4.702  -4.702
  125   1HB   ASN  16          HB2       ASN  16  23.965  -6.032  -6.032
  126   2HB   ASN  16          HB1       ASN  16  24.343  -5.823  -5.823
  127   1HD2  ASN  16          HD22      ASN  16  26.931  -8.083  -8.083
  128   2HD2  ASN  16          HD21      ASN  16  26.062  -6.828  -6.828
  129    H    GLU  17          HN        GLU  17  25.048  -2.759  -2.759
  130    HA   GLU  17          HA        GLU  17  26.979  -3.587  -3.587
  131   1HB   GLU  17          HB2       GLU  17  25.608  -0.898  -0.898
  132   2HB   GLU  17          HB1       GLU  17  26.344  -1.540  -1.540
  133   1HG   GLU  17          HG2       GLU  17  24.626  -3.027  -3.027
  134   2HG   GLU  17          HG1       GLU  17  24.254  -3.201  -3.201
  135   1HN   NLE  18          HN        NLE  18  26.916  -1.108  -1.108
  136    HA   NLE  18          HA        NLE  18  29.695  -0.316  -0.316
  137   1HB   NLE  18          HB1       NLE  18  28.003   0.861   0.861
  138   2HB   NLE  18          HB2       NLE  18  27.796   1.357   1.357
  139   1HG   NLE  18          HG1       NLE  18  30.399   1.681   1.681
  140   2HG   NLE  18          HG2       NLE  18  30.172   1.727   1.727
  141   1HD   NLE  18          HD1       NLE  18  29.448   3.854   3.854
  142   2HD   NLE  18          HD2       NLE  18  28.163   3.364   3.364
  143   1HE   NLE  18          HE1       NLE  18  30.552   4.847   4.847
  144   2HE   NLE  18          HE2       NLE  18  29.236   4.418   4.418
  145   3HE   NLE  18          HE3       NLE  18  30.603   3.322   3.322
  146    H    GLU  19          HN        GLU  19  28.976  -2.935  -2.935
  147    HA   GLU  19          HA        GLU  19  30.003  -2.661  -2.661
  148   1HB   GLU  19          HB2       GLU  19  28.209  -4.370  -4.370
  149   2HB   GLU  19          HB1       GLU  19  29.657  -5.324  -5.324
  150   1HG   GLU  19          HG2       GLU  19  28.853  -5.935  -5.935
  151   2HG   GLU  19          HG1       GLU  19  30.328  -4.990  -4.990
  152    H    ARG  20          HN        ARG  20  30.968  -4.691  -4.691
  153    HA   ARG  20          HA        ARG  20  33.746  -4.774  -4.774
  154   1HB   ARG  20          HB2       ARG  20  32.846  -6.041  -6.041
  155   2HB   ARG  20          HB1       ARG  20  34.083  -6.583  -6.583
  156   1HG   ARG  20          HG2       ARG  20  32.409  -7.218  -7.218
  157   2HG   ARG  20          HG1       ARG  20  31.125  -6.514  -6.514
  158   1HD   ARG  20          HD2       ARG  20  31.390  -8.173  -8.173
  159   2HD   ARG  20          HD1       ARG  20  32.896  -8.754  -8.754
  160    HE   ARG  20          HE        ARG  20  31.618  -9.848  -9.848
  161   1HH1  ARG  20          HH21      ARG  20  29.517  -7.452  -7.452
  162   2HH1  ARG  20          HH22      ARG  20  28.118  -8.453  -8.453
  163   1HH2  ARG  20          HH11      ARG  20  29.896 -11.425 -11.425
  164   2HH2  ARG  20          HH12      ARG  20  28.332 -10.700 -10.700
  165    H    VAL  21          HN        VAL  21  32.012  -3.504  -3.504
  166    HA   VAL  21          HA        VAL  21  34.244  -2.567  -2.567
  167    HB   VAL  21          HB        VAL  21  31.776  -0.890  -0.890
  168   1HG1  VAL  21          HG12      VAL  21  33.985  -0.807  -0.807
  169   2HG1  VAL  21          HG11      VAL  21  32.372  -0.308  -0.308
  170   3HG1  VAL  21          HG13      VAL  21  33.172   0.523   0.523
  171   1HG2  VAL  21          HG22      VAL  21  32.239  -3.046  -3.046
  172   2HG2  VAL  21          HG21      VAL  21  31.076  -3.098  -3.098
  173   3HG2  VAL  21          HG23      VAL  21  30.858  -1.949  -1.949
  174    H    GLU  22          HN        GLU  22  32.987  -1.647  -1.647
  175    HA   GLU  22          HA        GLU  22  34.470   0.775   0.775
  176   1HB   GLU  22          HB2       GLU  22  33.022   0.646   0.646
  177   2HB   GLU  22          HB1       GLU  22  32.746  -1.067  -1.067
  178   1HG   GLU  22          HG2       GLU  22  34.444  -1.734  -1.734
  179   2HG   GLU  22          HG1       GLU  22  35.322  -0.212  -0.212
  180    H    TRP  23          HN        TRP  23  34.894  -2.444  -2.444
  181    HA   TRP  23          HA        TRP  23  37.564  -1.950  -1.950
  182   1HB   TRP  23          HB2       TRP  23  37.363  -3.994  -3.994
  183   2HB   TRP  23          HB1       TRP  23  35.672  -3.627  -3.627
  184    HD1  TRP  23          HD1       TRP  23  34.419  -5.653  -5.653
  185    HE1  TRP  23          HE1       TRP  23  34.906  -7.800  -7.800
  186    HE3  TRP  23          HE3       TRP  23  39.118  -4.667  -4.667
  187    HZ2  TRP  23          HZ2       TRP  23  37.077  -8.951  -8.951
  188    HZ3  TRP  23          HZ3       TRP  23  40.446  -6.280  -6.280
  189    HH2  TRP  23          HH2       TRP  23  39.410  -8.423  -8.423
  190    H    LEU  24          HN        LEU  24  36.305  -3.942  -3.942
  191    HA   LEU  24          HA        LEU  24  38.436  -4.975  -4.975
  192   1HB   LEU  24          HB2       LEU  24  35.939  -3.742  -3.742
  193   2HB   LEU  24          HB1       LEU  24  37.194  -3.635  -3.635
  194    HG   LEU  24          HG        LEU  24  36.045  -5.690  -5.690
  195   1HD1  LEU  24          HD12      LEU  24  38.620  -5.706  -5.706
  196   2HD1  LEU  24          HD11      LEU  24  38.411  -6.569  -6.569
  197   3HD1  LEU  24          HD13      LEU  24  37.797  -7.265  -7.265
  198   1HD2  LEU  24          HD23      LEU  24  36.029  -5.778  -5.778
  199   2HD2  LEU  24          HD22      LEU  24  34.800  -6.302  -6.302
  200   3HD2  LEU  24          HD21      LEU  24  36.188  -7.335  -7.335
  201    H    ARG  25          HN        ARG  25  37.778  -1.512  -1.512
  202    HA   ARG  25          HA        ARG  25  40.047  -0.859  -0.859
  203   1HB   ARG  25          HB2       ARG  25  38.211   0.605   0.605
  204   2HB   ARG  25          HB1       ARG  25  37.962   0.766   0.766
  205   1HG   ARG  25          HG2       ARG  25  39.036   2.781   2.781
  206   2HG   ARG  25          HG1       ARG  25  40.033   2.029   2.029
  207   1HD   ARG  25          HD2       ARG  25  41.260   0.794   0.794
  208   2HD   ARG  25          HD1       ARG  25  40.336   1.703   1.703
  209    HE   ARG  25          HE        ARG  25  42.290   2.923   2.923
  210   1HH1  ARG  25          HH11      ARG  25  41.423   5.293   5.293
  211   2HH1  ARG  25          HH12      ARG  25  41.646   5.719   5.719
  212   1HH2  ARG  25          HH21      ARG  25  42.127   2.450   2.450
  213   2HH2  ARG  25          HH22      ARG  25  42.044   4.110   4.110
  214    H    LYS  26          HN        LYS  26  39.230  -0.560  -0.560
  215    HA   LYS  26          HA        LYS  26  41.991   0.429   0.429
  216   1HB   LYS  26          HB2       LYS  26  41.199   0.876   0.876
  217   2HB   LYS  26          HB1       LYS  26  40.221   1.694   1.694
  218   1HG   LYS  26          HG2       LYS  26  38.619  -0.274  -0.274
  219   2HG   LYS  26          HG1       LYS  26  39.533  -0.826  -0.826
  220   1HD   LYS  26          HD2       LYS  26  37.555   0.536   0.536
  221   2HD   LYS  26          HD1       LYS  26  39.070   1.276   1.276
  222   1HE   LYS  26          HE2       LYS  26  39.024   2.836   2.836
  223   2HE   LYS  26          HE1       LYS  26  37.673   1.994   1.994
  224   1HZ   LYS  26          HZ1       LYS  26  37.455   3.122   3.122
  225   2HZ   LYS  26          HZ3       LYS  26  37.166   4.076   4.076
  226   3HZ   LYS  26          HZ2       LYS  26  36.210   2.702   2.702
  227    H    LYS  27          HN        LYS  27  39.818  -2.105  -2.105
  228    HA   LYS  27          HA        LYS  27  41.849  -3.404  -3.404
  229   1HB   LYS  27          HB2       LYS  27  39.613  -3.973  -3.973
  230   2HB   LYS  27          HB1       LYS  27  39.211  -4.321  -4.321
  231   1HG   LYS  27          HG2       LYS  27  39.524  -6.373  -6.373
  232   2HG   LYS  27          HG1       LYS  27  40.571  -6.319  -6.319
  233   1HD   LYS  27          HD2       LYS  27  42.450  -5.583  -5.583
  234   2HD   LYS  27          HD1       LYS  27  41.427  -5.361  -5.361
  235   1HE   LYS  27          HE2       LYS  27  41.027  -8.026  -8.026
  236   2HE   LYS  27          HE1       LYS  27  42.768  -7.745  -7.745
  237   1HZ   LYS  27          HZ3       LYS  27  41.489  -6.636  -6.636
  238   2HZ   LYS  27          HZ2       LYS  27  41.146  -8.294  -8.294
  239   3HZ   LYS  27          HZ1       LYS  27  42.757  -7.760  -7.760
  240    H    LEU  28          HN        LEU  28  43.702  -4.158  -4.158
  241    HA   LEU  28          HA        LEU  28  45.132  -5.377  -5.377
  242   1HB   LEU  28          HB2       LEU  28  42.789  -6.907  -6.907
  243   2HB   LEU  28          HB1       LEU  28  43.150  -6.894  -6.894
  244    HG   LEU  28          HG        LEU  28  44.312  -8.763  -8.763
  245   1HD1  LEU  28          HD13      LEU  28  45.946  -6.436  -6.436
  246   2HD1  LEU  28          HD12      LEU  28  46.732  -7.936  -7.936
  247   3HD1  LEU  28          HD11      LEU  28  45.556  -7.947  -7.947
  248   1HD2  LEU  28          HD21      LEU  28  44.419  -7.636  -7.636
  249   2HD2  LEU  28          HD23      LEU  28  45.930  -8.401  -8.401
  250   3HD2  LEU  28          HD22      LEU  28  45.746  -6.652  -6.652
  251    H    GLN  29          HN        GLN  29  44.005  -2.847  -2.847
  252    HA   GLN  29          HA        GLN  29  44.725  -3.133  -3.133
  253   1HB   GLN  29          HB2       GLN  29  42.298  -3.728  -3.728
  254   2HB   GLN  29          HB1       GLN  29  41.942  -2.148  -2.148
  255   1HG   GLN  29          HG2       GLN  29  41.786  -1.430  -1.430
  256   2HG   GLN  29          HG1       GLN  29  43.548  -1.504  -1.504
  257   1HE2  GLN  29          HE22      GLN  29  43.229  -3.738  -3.738
  258   2HE2  GLN  29          HE21      GLN  29  43.773  -2.218  -2.218
  259    H    ASP  30          HN        ASP  30  45.602  -1.694  -1.694
  260    HA   ASP  30          HA        ASP  30  45.451   1.074   1.074
  261   1HB   ASP  30          HB2       ASP  30  44.533   0.156   0.156
  262   2HB   ASP  30          HB1       ASP  30  45.912   1.228   1.228
  263    H    VAL  31          HN        VAL  31  47.408  -1.442  -1.442
  264    HA   VAL  31          HA        VAL  31  49.750  -1.624  -1.624
  265    HB   VAL  31          HB        VAL  31  49.840   1.379   1.379
  266   1HG1  VAL  31          HG12      VAL  31  51.775  -0.710  -0.710
  267   2HG1  VAL  31          HG11      VAL  31  51.753   0.387   0.387
  268   3HG1  VAL  31          HG13      VAL  31  52.051   1.015   1.015
  269   1HG2  VAL  31          HG21      VAL  31  48.272   0.801   0.801
  270   2HG2  VAL  31          HG23      VAL  31  49.747   1.536   1.536
  271   3HG2  VAL  31          HG22      VAL  31  49.516  -0.209  -0.209
  272    H    HIS  32          HN        HIS  32  50.348  -2.638  -2.638
  273    HA   HIS  32          HA        HIS  32  50.800  -0.922  -0.922
  274   1HB   HIS  32          HB2       HIS  32  48.984  -3.192  -3.192
  275   2HB   HIS  32          HB1       HIS  32  50.165  -3.443  -3.443
  276    HD1  HIS  32          HD1       HIS  32  50.305  -1.493  -1.493
  277    HD2  HIS  32          HD2       HIS  32  46.974  -1.363  -1.363
  278    HE1  HIS  32          HE1       HIS  32  48.633   0.051   0.051
  279    H    ASN  33          HN        ASN  33  51.213  -4.421  -4.421
  280    HA   ASN  33          HA        ASN  33  54.159  -3.995  -3.995
  281   1HB   ASN  33          HB2       ASN  33  53.857  -6.553  -6.553
  282   2HB   ASN  33          HB1       ASN  33  53.766  -5.185  -5.185
  283   1HD2  ASN  33          HD22      ASN  33  50.351  -5.683  -5.683
  284   2HD2  ASN  33          HD21      ASN  33  51.766  -4.800  -4.800
  285    H    PHE  34          HN        PHE  34  51.744  -6.306  -6.306
  286    HA   PHE  34          HA        PHE  34  53.738  -7.019  -7.019
  287   1HB   PHE  34          HB2       PHE  34  52.286  -8.676  -8.676
  288   2HB   PHE  34          HB1       PHE  34  51.329  -8.687  -8.687
  289    HD1  PHE  34          HD1       PHE  34  54.694  -9.342  -9.342
  290    HD2  PHE  34          HD2       PHE  34  52.137  -9.723  -9.723
  291    HE1  PHE  34          HE1       PHE  34  56.335 -10.874 -10.874
  292    HE2  PHE  34          HE2       PHE  34  53.779 -11.255 -11.255
  293    HZ   PHE  34          HZ        PHE  34  55.877 -11.831 -11.831

  Start of MODEL    9
    1   1H    SER   1          HT1       SER   1  20.220  11.853  11.853
    2   2H    SER   1          HT3       SER   1  18.526  11.925  11.925
    3   3H    SER   1          HT2       SER   1  19.436  13.137  13.137
    4    HA   SER   1          HA        SER   1  18.883  11.907  11.907
    5   1HB   SER   1          HB2       SER   1  18.862   9.323   9.323
    6   2HB   SER   1          HB1       SER   1  17.546  10.223  10.223
    7    HG   SER   1          HG        SER   1  19.857   9.794   9.794
    8    H    VAL   2          HN        VAL   2  20.478  11.652  11.652
    9    HA   VAL   2          HA        VAL   2  23.155  10.778  10.778
   10    HB   VAL   2          HB        VAL   2  22.813  12.106  12.106
   11   1HG1  VAL   2          HG13      VAL   2  24.928  11.369  11.369
   12   2HG1  VAL   2          HG12      VAL   2  24.885  13.132  13.132
   13   3HG1  VAL   2          HG11      VAL   2  25.051  12.227  12.227
   14   1HG2  VAL   2          HG23      VAL   2  22.049  13.280  13.280
   15   2HG2  VAL   2          HG22      VAL   2  21.703  13.843  13.843
   16   3HG2  VAL   2          HG21      VAL   2  23.249  14.227  14.227
   17    H    SER   3          HN        SER   3  20.838   9.076   9.076
   18    HA   SER   3          HA        SER   3  21.731   7.988   7.988
   19   1HB   SER   3          HB2       SER   3  19.809   6.744   6.744
   20   2HB   SER   3          HB1       SER   3  19.957   6.382   6.382
   21    HG   SER   3          HG        SER   3  19.089   8.324   8.324
   22    H    GLU   4          HN        GLU   4  23.890   7.342   7.342
   23    HA   GLU   4          HA        GLU   4  24.356   5.323   5.323
   24   1HB   GLU   4          HB2       GLU   4  26.131   6.973   6.973
   25   2HB   GLU   4          HB1       GLU   4  26.769   5.531   5.531
   26   1HG   GLU   4          HG2       GLU   4  26.989   6.663   6.663
   27   2HG   GLU   4          HG1       GLU   4  25.265   7.036   7.036
   28    H    ILE   5          HN        ILE   5  25.720   5.474   5.474
   29    HA   ILE   5          HA        ILE   5  25.178   2.575   2.575
   30    HB   ILE   5          HB        ILE   5  26.804   2.515   2.515
   31   1HG1  ILE   5          HG12      ILE   5  25.822   4.479   4.479
   32   2HG1  ILE   5          HG11      ILE   5  27.580   4.416   4.416
   33   1HG2  ILE   5          HG23      ILE   5  27.375   4.061   4.061
   34   2HG2  ILE   5          HG22      ILE   5  28.452   4.502   4.502
   35   3HG2  ILE   5          HG21      ILE   5  28.349   2.824   2.824
   36   1HD1  ILE   5          HD12      ILE   5  27.226   5.917   5.917
   37   2HD1  ILE   5          HD11      ILE   5  25.747   6.345   6.345
   38   3HD1  ILE   5          HD13      ILE   5  27.316   6.623   6.623
   39    H    GLN   6          HN        GLN   6  23.105   4.757   4.757
   40    HA   GLN   6          HA        GLN   6  22.356   4.595   4.595
   41   1HB   GLN   6          HB2       GLN   6  21.432   6.122   6.122
   42   2HB   GLN   6          HB1       GLN   6  20.223   5.778   5.778
   43   1HG   GLN   6          HG2       GLN   6  22.884   7.170   7.170
   44   2HG   GLN   6          HG1       GLN   6  21.285   7.908   7.908
   45   1HE2  GLN   6          HE22      GLN   6  22.788   6.067   6.067
   46   2HE2  GLN   6          HE21      GLN   6  23.709   6.353   6.353
   47    H    LEU   7          HN        LEU   7  21.202   3.353   3.353
   48    HA   LEU   7          HA        LEU   7  18.886   2.090   2.090
   49   1HB   LEU   7          HB2       LEU   7  20.313   2.037   2.037
   50   2HB   LEU   7          HB1       LEU   7  19.495   0.524   0.524
   51    HG   LEU   7          HG        LEU   7  17.991   2.069   2.069
   52   1HD1  LEU   7          HD12      LEU   7  17.516   1.015   1.015
   53   2HD1  LEU   7          HD11      LEU   7  16.397   2.298   2.298
   54   3HD1  LEU   7          HD13      LEU   7  16.537   0.847   0.847
   55   1HD2  LEU   7          HD22      LEU   7  19.156   4.127   4.127
   56   2HD2  LEU   7          HD21      LEU   7  17.401   4.205   4.205
   57   3HD2  LEU   7          HD23      LEU   7  18.136   3.851   3.851
   58   1HN   NLE   8          HN        NLE   8  22.111   1.436   1.436
   59    HA   NLE   8          HA        NLE   8  21.775  -1.454  -1.454
   60   1HB   NLE   8          HB1       NLE   8  24.126   0.447   0.447
   61   2HB   NLE   8          HB2       NLE   8  23.924  -0.867  -0.867
   62   1HG   NLE   8          HG1       NLE   8  25.245  -1.977  -1.977
   63   2HG   NLE   8          HG2       NLE   8  23.685  -2.270  -2.270
   64   1HD   NLE   8          HD1       NLE   8  24.127   0.005   0.005
   65   2HD   NLE   8          HD2       NLE   8  25.806  -0.258  -0.258
   66   1HE   NLE   8          HE1       NLE   8  24.423  -2.584  -2.584
   67   2HE   NLE   8          HE2       NLE   8  24.738  -1.226  -1.226
   68   3HE   NLE   8          HE3       NLE   8  26.073  -2.008  -2.008
   69    H    HIS   9          HN        HIS   9  21.957   1.614   1.614
   70    HA   HIS   9          HA        HIS   9  22.119   0.517   0.517
   71   1HB   HIS   9          HB2       HIS   9  22.703   2.667   2.667
   72   2HB   HIS   9          HB1       HIS   9  22.400   3.063   3.063
   73    HD1  HIS   9          HD1       HIS   9  21.280   3.878   3.878
   74    HD2  HIS   9          HD2       HIS   9  19.456   3.686   3.686
   75    HE1  HIS   9          HE1       HIS   9  19.131   5.204   5.204
   76    H    ASN  10          HN        ASN  10  19.667   1.222   1.222
   77    HA   ASN  10          HA        ASN  10  17.474   1.281   1.281
   78   1HB   ASN  10          HB2       ASN  10  17.676   1.414   1.414
   79   2HB   ASN  10          HB1       ASN  10  16.116   1.149   1.149
   80   1HD2  ASN  10          HD22      ASN  10  17.592   4.871   4.871
   81   2HD2  ASN  10          HD21      ASN  10  18.216   3.592   3.592
   82    H    LEU  11          HN        LEU  11  17.915  -0.783  -0.783
   83    HA   LEU  11          HA        LEU  11  16.625  -2.996  -2.996
   84   1HB   LEU  11          HB2       LEU  11  15.662  -2.411  -2.411
   85   2HB   LEU  11          HB1       LEU  11  17.221  -2.716  -2.716
   86    HG   LEU  11          HG        LEU  11  16.237  -4.922  -4.922
   87   1HD1  LEU  11          HD12      LEU  11  14.690  -3.878  -3.878
   88   2HD1  LEU  11          HD11      LEU  11  14.774  -5.618  -5.618
   89   3HD1  LEU  11          HD13      LEU  11  14.091  -4.562  -4.562
   90   1HD2  LEU  11          HD22      LEU  11  18.034  -4.468  -4.468
   91   2HD2  LEU  11          HD21      LEU  11  17.721  -5.991  -5.991
   92   3HD2  LEU  11          HD23      LEU  11  16.791  -5.564  -5.564
   93    H    GLY  12          HN        GLY  12  19.707  -1.931  -1.931
   94   1HA   GLY  12          HA2       GLY  12  20.803  -4.686  -4.686
   95   2HA   GLY  12          HA1       GLY  12  21.707  -3.199  -3.199
   96   1HN   ORN  13          HN        ORN  13  19.739  -3.131  -3.131
   97    HA   ORN  13          HA        ORN  13  22.089  -2.933  -2.933
   98   1HB   ORN  13          HB1       ORN  13  19.539  -3.334  -3.334
   99   2HB   ORN  13          HB2       ORN  13  19.463  -2.052  -2.052
  100   1HG   ORN  13          HG1       ORN  13  21.274  -0.864  -0.864
  101   2HG   ORN  13          HG2       ORN  13  21.701  -2.243  -2.243
  102   1HD   ORN  13          HD1       ORN  13  19.069  -1.828  -1.828
  103   2HD   ORN  13          HD2       ORN  13  19.633  -0.182  -0.182
  104   1HNE  ORN  13          HE1       ORN  13  21.098  -0.399  -0.399
  105    H    HIS  14          HN        HIS  14  23.008  -5.073  -5.073
  106    HA   HIS  14          HA        HIS  14  21.537  -7.459  -7.459
  107   1HB   HIS  14          HB2       HIS  14  24.520  -7.083  -7.083
  108   2HB   HIS  14          HB1       HIS  14  23.648  -8.615  -8.615
  109    HD1  HIS  14          HD1       HIS  14  21.924  -8.998  -8.998
  110    HD2  HIS  14          HD2       HIS  14  24.454  -5.716  -5.716
  111    HE1  HIS  14          HE1       HIS  14  21.789  -8.320  -8.320
  112    H    LEU  15          HN        LEU  15  24.309  -8.228  -8.228
  113    HA   LEU  15          HA        LEU  15  23.253  -7.666  -7.666
  114   1HB   LEU  15          HB2       LEU  15  25.532  -8.986  -8.986
  115   2HB   LEU  15          HB1       LEU  15  24.044  -9.818  -9.818
  116    HG   LEU  15          HG        LEU  15  25.920  -8.931  -8.931
  117   1HD1  LEU  15          HD11      LEU  15  26.523 -10.853 -10.853
  118   2HD1  LEU  15          HD13      LEU  15  26.548 -11.600 -11.600
  119   3HD1  LEU  15          HD12      LEU  15  27.578 -10.209 -10.209
  120   1HD2  LEU  15          HD21      LEU  15  23.485 -10.220 -10.220
  121   2HD2  LEU  15          HD23      LEU  15  24.640 -10.311 -10.311
  122   3HD2  LEU  15          HD22      LEU  15  24.613 -11.573 -11.573
  123    H    ASN  16          HN        ASN  16  24.643  -5.665  -5.665
  124    HA   ASN  16          HA        ASN  16  27.086  -4.890  -4.890
  125   1HB   ASN  16          HB2       ASN  16  27.032  -2.937  -2.937
  126   2HB   ASN  16          HB1       ASN  16  26.360  -4.233  -4.233
  127   1HD2  ASN  16          HD22      ASN  16  24.122  -1.126  -1.126
  128   2HD2  ASN  16          HD21      ASN  16  25.801  -1.276  -1.276
  129    H    GLU  17          HN        GLU  17  23.783  -4.608  -4.608
  130    HA   GLU  17          HA        GLU  17  23.840  -2.140  -2.140
  131   1HB   GLU  17          HB2       GLU  17  21.958  -4.224  -4.224
  132   2HB   GLU  17          HB1       GLU  17  21.985  -3.967  -3.967
  133   1HG   GLU  17          HG2       GLU  17  20.683  -2.164  -2.164
  134   2HG   GLU  17          HG1       GLU  17  22.057  -1.392  -1.392
  135   1HN   NLE  18          HN        NLE  18  24.441  -5.523  -5.523
  136    HA   NLE  18          HA        NLE  18  25.055  -4.819  -4.819
  137   1HB   NLE  18          HB1       NLE  18  25.628  -7.542  -7.542
  138   2HB   NLE  18          HB2       NLE  18  23.941  -7.037  -7.037
  139   1HG   NLE  18          HG1       NLE  18  24.036  -6.410  -6.410
  140   2HG   NLE  18          HG2       NLE  18  25.686  -7.033  -7.033
  141   1HD   NLE  18          HD1       NLE  18  23.399  -8.738  -8.738
  142   2HD   NLE  18          HD2       NLE  18  23.779  -8.625  -8.625
  143   1HE   NLE  18          HE1       NLE  18  24.895 -10.495 -10.495
  144   2HE   NLE  18          HE2       NLE  18  25.814  -9.711  -9.711
  145   3HE   NLE  18          HE3       NLE  18  26.012  -9.186  -9.186
  146    H    GLU  19          HN        GLU  19  26.724  -3.894  -3.894
  147    HA   GLU  19          HA        GLU  19  29.241  -5.399  -5.399
  148   1HB   GLU  19          HB2       GLU  19  28.113  -3.734  -3.734
  149   2HB   GLU  19          HB1       GLU  19  29.629  -3.004  -3.004
  150   1HG   GLU  19          HG2       GLU  19  30.866  -4.987  -4.987
  151   2HG   GLU  19          HG1       GLU  19  29.396  -5.944  -5.944
  152    H    ARG  20          HN        ARG  20  27.694  -2.650  -2.650
  153    HA   ARG  20          HA        ARG  20  30.216  -1.334  -1.334
  154   1HB   ARG  20          HB2       ARG  20  27.442  -0.730  -0.730
  155   2HB   ARG  20          HB1       ARG  20  28.834   0.351   0.351
  156   1HG   ARG  20          HG2       ARG  20  28.663  -0.181  -0.181
  157   2HG   ARG  20          HG1       ARG  20  26.988  -0.553  -0.553
  158   1HD   ARG  20          HD2       ARG  20  26.644   1.656   1.656
  159   2HD   ARG  20          HD1       ARG  20  28.362   2.034   2.034
  160    HE   ARG  20          HE        ARG  20  26.424   2.233   2.233
  161   1HH1  ARG  20          HH11      ARG  20  29.444   3.187   3.187
  162   2HH1  ARG  20          HH12      ARG  20  30.166   2.799   2.799
  163   1HH2  ARG  20          HH21      ARG  20  27.453   0.946   0.946
  164   2HH2  ARG  20          HH22      ARG  20  29.038   1.529   1.529
  165    H    VAL  21          HN        VAL  21  27.604  -3.171  -3.171
  166    HA   VAL  21          HA        VAL  21  28.667  -2.991  -2.991
  167    HB   VAL  21          HB        VAL  21  26.668  -4.327  -4.327
  168   1HG1  VAL  21          HG13      VAL  21  28.469  -6.065  -6.065
  169   2HG1  VAL  21          HG12      VAL  21  26.837  -6.521  -6.521
  170   3HG1  VAL  21          HG11      VAL  21  27.087  -5.112  -5.112
  171   1HG2  VAL  21          HG21      VAL  21  29.027  -6.032  -6.032
  172   2HG2  VAL  21          HG23      VAL  21  27.990  -5.057  -5.057
  173   3HG2  VAL  21          HG22      VAL  21  27.341  -6.490  -6.490
  174    H    GLU  22          HN        GLU  22  29.953  -4.510  -4.510
  175    HA   GLU  22          HA        GLU  22  32.060  -6.039  -6.039
  176   1HB   GLU  22          HB2       GLU  22  31.937  -6.747  -6.747
  177   2HB   GLU  22          HB1       GLU  22  31.204  -5.236  -5.236
  178   1HG   GLU  22          HG2       GLU  22  33.254  -4.220  -4.220
  179   2HG   GLU  22          HG1       GLU  22  34.124  -5.221  -5.221
  180    H    TRP  23          HN        TRP  23  32.179  -3.199  -3.199
  181    HA   TRP  23          HA        TRP  23  34.769  -2.389  -2.389
  182   1HB   TRP  23          HB2       TRP  23  34.578  -0.965  -0.965
  183   2HB   TRP  23          HB1       TRP  23  33.170  -1.934  -1.934
  184    HD1  TRP  23          HD1       TRP  23  31.286  -0.486  -0.486
  185    HE1  TRP  23          HE1       TRP  23  30.421   1.891   1.891
  186    HE3  TRP  23          HE3       TRP  23  34.508   0.733   0.733
  187    HZ2  TRP  23          HZ2       TRP  23  31.077   4.054   4.054
  188    HZ3  TRP  23          HZ3       TRP  23  34.439   2.946   2.946
  189    HH2  TRP  23          HH2       TRP  23  32.705   4.604   4.604
  190    H    LEU  24          HN        LEU  24  31.587  -0.962  -0.962
  191    HA   LEU  24          HA        LEU  24  32.144   1.099   1.099
  192   1HB   LEU  24          HB2       LEU  24  30.017  -0.778  -0.778
  193   2HB   LEU  24          HB1       LEU  24  30.315  -0.561  -0.561
  194    HG   LEU  24          HG        LEU  24  29.922   1.787   1.787
  195   1HD1  LEU  24          HD11      LEU  24  30.598   1.307   1.307
  196   2HD1  LEU  24          HD13      LEU  24  29.348   2.518   2.518
  197   3HD1  LEU  24          HD12      LEU  24  30.937   2.709   2.709
  198   1HD2  LEU  24          HD22      LEU  24  27.919   0.211   0.211
  199   2HD2  LEU  24          HD21      LEU  24  27.681   1.887   1.887
  200   3HD2  LEU  24          HD23      LEU  24  27.988   0.643   0.643
  201    H    ARG  25          HN        ARG  25  32.374  -2.350  -2.350
  202    HA   ARG  25          HA        ARG  25  32.968  -2.149  -2.149
  203   1HB   ARG  25          HB2       ARG  25  32.828  -4.334  -4.334
  204   2HB   ARG  25          HB1       ARG  25  34.119  -3.985  -3.985
  205   1HG   ARG  25          HG2       ARG  25  35.763  -4.393  -4.393
  206   2HG   ARG  25          HG1       ARG  25  34.869  -3.626  -3.626
  207   1HD   ARG  25          HD2       ARG  25  35.217  -6.147  -6.147
  208   2HD   ARG  25          HD1       ARG  25  33.555  -5.582  -5.582
  209    HE   ARG  25          HE        ARG  25  34.452  -6.497  -6.497
  210   1HH1  ARG  25          HH21      ARG  25  31.921  -6.623  -6.623
  211   2HH1  ARG  25          HH22      ARG  25  31.196  -7.964  -7.964
  212   1HH2  ARG  25          HH11      ARG  25  33.833  -8.369  -8.369
  213   2HH2  ARG  25          HH12      ARG  25  32.280  -8.955  -8.955
  214    H    LYS  26          HN        LYS  26  35.329  -1.968  -1.968
  215    HA   LYS  26          HA        LYS  26  37.492  -1.177  -1.177
  216   1HB   LYS  26          HB2       LYS  26  38.858  -1.366  -1.366
  217   2HB   LYS  26          HB1       LYS  26  37.533  -2.437  -2.437
  218   1HG   LYS  26          HG2       LYS  26  36.498  -0.237  -0.237
  219   2HG   LYS  26          HG1       LYS  26  38.174   0.312   0.312
  220   1HD   LYS  26          HD2       LYS  26  38.566  -2.115  -2.115
  221   2HD   LYS  26          HD1       LYS  26  36.902  -1.864  -1.864
  222   1HE   LYS  26          HE2       LYS  26  37.509  -0.295  -0.295
  223   2HE   LYS  26          HE1       LYS  26  38.577   0.511   0.511
  224   1HZ   LYS  26          HZ2       LYS  26  40.035  -1.590  -1.590
  225   2HZ   LYS  26          HZ1       LYS  26  39.162  -1.677  -1.677
  226   3HZ   LYS  26          HZ3       LYS  26  40.074  -0.293  -0.293
  227    H    LYS  27          HN        LYS  27  35.190   0.636   0.636
  228    HA   LYS  27          HA        LYS  27  36.258   3.074   3.074
  229   1HB   LYS  27          HB2       LYS  27  33.842   2.442   2.442
  230   2HB   LYS  27          HB1       LYS  27  33.584   2.678   2.678
  231   1HG   LYS  27          HG2       LYS  27  33.078   4.652   4.652
  232   2HG   LYS  27          HG1       LYS  27  33.896   4.991   4.991
  233   1HD   LYS  27          HD2       LYS  27  36.065   4.997   4.997
  234   2HD   LYS  27          HD1       LYS  27  35.313   4.523   4.523
  235   1HE   LYS  27          HE2       LYS  27  34.695   7.081   7.081
  236   2HE   LYS  27          HE1       LYS  27  35.767   6.971   6.971
  237   1HZ   LYS  27          HZ1       LYS  27  33.905   6.082   6.082
  238   2HZ   LYS  27          HZ3       LYS  27  32.883   6.271   6.271
  239   3HZ   LYS  27          HZ2       LYS  27  33.571   7.636   7.636
  240    H    LEU  28          HN        LEU  28  35.706   1.582   1.582
  241    HA   LEU  28          HA        LEU  28  37.075   3.893   3.893
  242   1HB   LEU  28          HB2       LEU  28  35.429   3.798   3.798
  243   2HB   LEU  28          HB1       LEU  28  34.733   4.378   4.378
  244    HG   LEU  28          HG        LEU  28  34.263   1.757   1.757
  245   1HD1  LEU  28          HD13      LEU  28  35.325   1.180   1.180
  246   2HD1  LEU  28          HD12      LEU  28  34.139   2.188   2.188
  247   3HD1  LEU  28          HD11      LEU  28  33.617   0.742   0.742
  248   1HD2  LEU  28          HD22      LEU  28  32.784   4.066   4.066
  249   2HD2  LEU  28          HD21      LEU  28  32.220   2.707   2.707
  250   3HD2  LEU  28          HD23      LEU  28  32.162   2.616   2.616
  251    H    GLN  29          HN        GLN  29  37.393   0.833   0.833
  252    HA   GLN  29          HA        GLN  29  38.240   0.060   0.060
  253   1HB   GLN  29          HB2       GLN  29  36.574  -1.309  -1.309
  254   2HB   GLN  29          HB1       GLN  29  38.109  -2.179  -2.179
  255   1HG   GLN  29          HG2       GLN  29  38.007  -2.089  -2.089
  256   2HG   GLN  29          HG1       GLN  29  36.337  -1.550  -1.550
  257   1HE2  GLN  29          HE22      GLN  29  37.300  -5.404  -5.404
  258   2HE2  GLN  29          HE21      GLN  29  38.521  -4.226  -4.226
  259    H    ASP  30          HN        ASP  30  39.346   0.918   0.918
  260    HA   ASP  30          HA        ASP  30  41.836  -0.679  -0.679
  261   1HB   ASP  30          HB2       ASP  30  40.473   0.836   0.836
  262   2HB   ASP  30          HB1       ASP  30  42.236   0.791   0.791
  263    H    VAL  31          HN        VAL  31  40.786   2.724   2.724
  264    HA   VAL  31          HA        VAL  31  42.008   4.698   4.698
  265    HB   VAL  31          HB        VAL  31  42.796   4.774   4.774
  266   1HG1  VAL  31          HG12      VAL  31  40.309   3.325   3.325
  267   2HG1  VAL  31          HG11      VAL  31  40.813   3.193   3.193
  268   3HG1  VAL  31          HG13      VAL  31  40.527   4.780   4.780
  269   1HG2  VAL  31          HG23      VAL  31  44.072   2.557   2.557
  270   2HG2  VAL  31          HG22      VAL  31  43.289   2.833   2.833
  271   3HG2  VAL  31          HG21      VAL  31  42.542   1.761   1.761
  272    H    HIS  32          HN        HIS  32  43.445   2.683   2.683
  273    HA   HIS  32          HA        HIS  32  46.223   2.743   2.743
  274   1HB   HIS  32          HB2       HIS  32  44.756   1.706   1.706
  275   2HB   HIS  32          HB1       HIS  32  46.490   1.994   1.994
  276    HD1  HIS  32          HD1       HIS  32  47.701   1.067   1.067
  277    HD2  HIS  32          HD2       HIS  32  44.429  -0.933  -0.933
  278    HE1  HIS  32          HE1       HIS  32  47.717  -1.264  -1.264
  279    H    ASN  33          HN        ASN  33  44.730   4.014   4.014
  280    HA   ASN  33          HA        ASN  33  46.800   5.741   5.741
  281   1HB   ASN  33          HB2       ASN  33  44.704   5.276   5.276
  282   2HB   ASN  33          HB1       ASN  33  43.850   6.392   6.392
  283   1HD2  ASN  33          HD22      ASN  33  45.034   8.352   8.352
  284   2HD2  ASN  33          HD21      ASN  33  43.977   7.044   7.044
  285    H    PHE  34          HN        PHE  34  43.933   6.645   6.645
  286    HA   PHE  34          HA        PHE  34  45.519   8.274   8.274
  287   1HB   PHE  34          HB2       PHE  34  44.380   9.509   9.509
  288   2HB   PHE  34          HB1       PHE  34  43.891  10.309  10.309
  289    HD1  PHE  34          HD1       PHE  34  45.818  10.730  10.730
  290    HD2  PHE  34          HD2       PHE  34  46.450  10.043  10.043
  291    HE1  PHE  34          HE1       PHE  34  48.049  11.802  11.802
  292    HE2  PHE  34          HE2       PHE  34  48.681  11.115  11.115
  293    HZ   PHE  34          HZ        PHE  34  49.480  11.995  11.995

  Start of MODEL   10
    1   1H    SER   1          HT2       SER   1  14.598   2.437   2.437
    2   2H    SER   1          HT1       SER   1  14.079   0.821   0.821
    3   3H    SER   1          HT3       SER   1  14.770   1.564   1.564
    4    HA   SER   1          HA        SER   1  16.395   0.123   0.123
    5   1HB   SER   1          HB2       SER   1  17.082   0.380   0.380
    6   2HB   SER   1          HB1       SER   1  15.336   0.147   0.147
    7    HG   SER   1          HG        SER   1  15.034   2.222   2.222
    8    H    VAL   2          HN        VAL   2  15.892   3.078   3.078
    9    HA   VAL   2          HA        VAL   2  18.464   4.308   4.308
   10    HB   VAL   2          HB        VAL   2  16.921   5.590   5.590
   11   1HG1  VAL   2          HG12      VAL   2  18.502   6.256   6.256
   12   2HG1  VAL   2          HG11      VAL   2  17.074   7.275   7.275
   13   3HG1  VAL   2          HG13      VAL   2  18.260   7.180   7.180
   14   1HG2  VAL   2          HG23      VAL   2  15.655   4.903   4.903
   15   2HG2  VAL   2          HG22      VAL   2  14.948   4.820   4.820
   16   3HG2  VAL   2          HG21      VAL   2  15.213   6.386   6.386
   17    H    SER   3          HN        SER   3  19.567   5.414   5.414
   18    HA   SER   3          HA        SER   3  20.305   3.122   3.122
   19   1HB   SER   3          HB2       SER   3  21.610   5.525   5.525
   20   2HB   SER   3          HB1       SER   3  21.692   5.442   5.442
   21    HG   SER   3          HG        SER   3  22.895   3.690   3.690
   22    H    GLU   4          HN        GLU   4  17.763   4.887   4.887
   23    HA   GLU   4          HA        GLU   4  17.978   5.936   5.936
   24   1HB   GLU   4          HB2       GLU   4  15.537   5.796   5.796
   25   2HB   GLU   4          HB1       GLU   4  15.737   6.792   6.792
   26   1HG   GLU   4          HG2       GLU   4  17.873   7.194   7.194
   27   2HG   GLU   4          HG1       GLU   4  16.276   7.604   7.604
   28    H    ILE   5          HN        ILE   5  16.205   3.433   3.433
   29    HA   ILE   5          HA        ILE   5  14.988   2.330   2.330
   30    HB   ILE   5          HB        ILE   5  14.225   2.191   2.191
   31   1HG1  ILE   5          HG12      ILE   5  13.881  -0.459  -0.459
   32   2HG1  ILE   5          HG11      ILE   5  13.477   0.913   0.913
   33   1HG2  ILE   5          HG22      ILE   5  16.490   0.966   0.966
   34   2HG2  ILE   5          HG21      ILE   5  15.649  -0.452  -0.452
   35   3HG2  ILE   5          HG23      ILE   5  15.015   0.399   0.399
   36   1HD1  ILE   5          HD13      ILE   5  12.229   1.765   1.765
   37   2HD1  ILE   5          HD12      ILE   5  12.226   0.049   0.049
   38   3HD1  ILE   5          HD11      ILE   5  11.454   0.605   0.605
   39    H    GLN   6          HN        GLN   6  15.480  -0.433  -0.433
   40    HA   GLN   6          HA        GLN   6  17.113  -2.108  -2.108
   41   1HB   GLN   6          HB2       GLN   6  18.476  -0.533  -0.533
   42   2HB   GLN   6          HB1       GLN   6  19.317  -0.066  -0.066
   43   1HG   GLN   6          HG2       GLN   6  20.614  -1.887  -1.887
   44   2HG   GLN   6          HG1       GLN   6  19.236  -2.814  -2.814
   45   1HE2  GLN   6          HE22      GLN   6  19.839  -2.603  -2.603
   46   2HE2  GLN   6          HE21      GLN   6  20.437  -1.358  -1.358
   47    H    LEU   7          HN        LEU   7  18.664   0.805   0.805
   48    HA   LEU   7          HA        LEU   7  19.149  -0.569  -0.569
   49   1HB   LEU   7          HB2       LEU   7  19.896   1.898   1.898
   50   2HB   LEU   7          HB1       LEU   7  18.994   2.301   2.301
   51    HG   LEU   7          HG        LEU   7  21.353   2.018   2.018
   52   1HD1  LEU   7          HD13      LEU   7  19.497   1.136   1.136
   53   2HD1  LEU   7          HD12      LEU   7  19.895  -0.470  -0.470
   54   3HD1  LEU   7          HD11      LEU   7  21.104   0.462   0.462
   55   1HD2  LEU   7          HD21      LEU   7  20.966  -0.558  -0.558
   56   2HD2  LEU   7          HD23      LEU   7  22.259   0.633   0.633
   57   3HD2  LEU   7          HD22      LEU   7  22.212  -0.443  -0.443
   58   1HN   NLE   8          HN        NLE   8  16.428   0.853   0.853
   59    HA   NLE   8          HA        NLE   8  15.083   1.337   1.337
   60   1HB   NLE   8          HB1       NLE   8  14.098   1.559   1.559
   61   2HB   NLE   8          HB2       NLE   8  14.618   2.895   2.895
   62   1HG   NLE   8          HG1       NLE   8  12.665   1.419   1.419
   63   2HG   NLE   8          HG2       NLE   8  12.023   1.671   1.671
   64   1HD   NLE   8          HD1       NLE   8  12.230   4.034   4.034
   65   2HD   NLE   8          HD2       NLE   8  13.283   3.914   3.914
   66   1HE   NLE   8          HE1       NLE   8  11.141   2.627   2.627
   67   2HE   NLE   8          HE2       NLE   8  10.316   3.656   3.656
   68   3HE   NLE   8          HE3       NLE   8  11.301   4.380   4.380
   69    H    HIS   9          HN        HIS   9  15.454  -1.097  -1.097
   70    HA   HIS   9          HA        HIS   9  13.024  -2.564  -2.564
   71   1HB   HIS   9          HB2       HIS   9  13.737  -3.783  -3.783
   72   2HB   HIS   9          HB1       HIS   9  15.087  -2.666  -2.666
   73    HD1  HIS   9          HD1       HIS   9  14.480  -6.146  -6.146
   74    HD2  HIS   9          HD2       HIS   9  17.265  -3.663  -3.663
   75    HE1  HIS   9          HE1       HIS   9  16.377  -7.641  -7.641
   76    H    ASN  10          HN        ASN  10  16.236  -2.512  -2.512
   77    HA   ASN  10          HA        ASN  10  16.157  -4.966  -4.966
   78   1HB   ASN  10          HB2       ASN  10  17.412  -2.308  -2.308
   79   2HB   ASN  10          HB1       ASN  10  17.720  -3.823  -3.823
   80   1HD2  ASN  10          HD22      ASN  10  19.482  -3.131  -3.131
   81   2HD2  ASN  10          HD21      ASN  10  18.350  -2.037  -2.037
   82    H    LEU  11          HN        LEU  11  15.529  -1.745  -1.745
   83    HA   LEU  11          HA        LEU  11  12.995  -2.333  -2.333
   84   1HB   LEU  11          HB2       LEU  11  14.258  -4.076  -4.076
   85   2HB   LEU  11          HB1       LEU  11  15.278  -2.810  -2.810
   86    HG   LEU  11          HG        LEU  11  13.451  -1.834  -1.834
   87   1HD1  LEU  11          HD13      LEU  11  11.707  -3.661  -3.661
   88   2HD1  LEU  11          HD12      LEU  11  11.115  -2.729  -2.729
   89   3HD1  LEU  11          HD11      LEU  11  11.749  -1.899  -1.899
   90   1HD2  LEU  11          HD22      LEU  11  13.145  -4.851  -4.851
   91   2HD2  LEU  11          HD21      LEU  11  14.324  -3.909  -3.909
   92   3HD2  LEU  11          HD23      LEU  11  12.602  -3.725  -3.725
   93    H    GLY  12          HN        GLY  12  14.020  -0.079  -0.079
   94   1HA   GLY  12          HA2       GLY  12  13.702   2.237   2.237
   95   2HA   GLY  12          HA1       GLY  12  13.867   1.838   1.838
   96   1HN   ORN  13          HN        ORN  13  16.326   0.286   0.286
   97    HA   ORN  13          HA        ORN  13  18.302   1.994   1.994
   98   1HB   ORN  13          HB1       ORN  13  18.261   1.978   1.978
   99   2HB   ORN  13          HB2       ORN  13  17.694   3.323   3.323
  100   1HG   ORN  13          HG1       ORN  13  19.855   3.764   3.764
  101   2HG   ORN  13          HG2       ORN  13  20.459   2.174   2.174
  102   1HD   ORN  13          HD1       ORN  13  19.539   3.378   3.378
  103   2HD   ORN  13          HD2       ORN  13  20.434   4.633   4.633
  104   1HNE  ORN  13          HE1       ORN  13  22.005   2.289   2.289
  105    H    HIS  14          HN        HIS  14  19.607   0.738   0.738
  106    HA   HIS  14          HA        HIS  14  19.789  -2.018  -2.018
  107   1HB   HIS  14          HB2       HIS  14  21.021  -0.759  -0.759
  108   2HB   HIS  14          HB1       HIS  14  22.364  -0.857  -0.857
  109    HD1  HIS  14          HD1       HIS  14  20.332  -3.696  -3.696
  110    HD2  HIS  14          HD2       HIS  14  23.043  -2.821  -2.821
  111    HE1  HIS  14          HE1       HIS  14  21.011  -5.910  -5.910
  112    H    LEU  15          HN        LEU  15  20.995  -2.972  -2.972
  113    HA   LEU  15          HA        LEU  15  21.872  -1.181  -1.181
  114   1HB   LEU  15          HB2       LEU  15  20.635  -3.376  -3.376
  115   2HB   LEU  15          HB1       LEU  15  22.123  -4.198  -4.198
  116    HG   LEU  15          HG        LEU  15  21.537  -3.682  -3.682
  117   1HD1  LEU  15          HD11      LEU  15  23.841  -4.330  -4.330
  118   2HD1  LEU  15          HD13      LEU  15  24.344  -3.068  -3.068
  119   3HD1  LEU  15          HD12      LEU  15  23.591  -4.543  -4.543
  120   1HD2  LEU  15          HD22      LEU  15  21.420  -1.182  -1.182
  121   2HD2  LEU  15          HD21      LEU  15  22.449  -1.632  -1.632
  122   3HD2  LEU  15          HD23      LEU  15  23.171  -1.243  -1.243
  123    H    ASN  16          HN        ASN  16  23.346  -1.885  -1.885
  124    HA   ASN  16          HA        ASN  16  25.986  -2.664  -2.664
  125   1HB   ASN  16          HB2       ASN  16  24.685  -2.531  -2.531
  126   2HB   ASN  16          HB1       ASN  16  26.256  -1.731  -1.731
  127   1HD2  ASN  16          HD22      ASN  16  26.485  -5.546  -5.546
  128   2HD2  ASN  16          HD21      ASN  16  25.378  -4.440  -4.440
  129    H    GLU  17          HN        GLU  17  24.199   0.206   0.206
  130    HA   GLU  17          HA        GLU  17  26.381   2.017   2.017
  131   1HB   GLU  17          HB2       GLU  17  24.806   3.779   3.779
  132   2HB   GLU  17          HB1       GLU  17  23.991   2.599   2.599
  133   1HG   GLU  17          HG2       GLU  17  23.260   1.435   1.435
  134   2HG   GLU  17          HG1       GLU  17  23.804   2.884   2.884
  135   1HN   NLE  18          HN        NLE  18  24.759   0.987   0.987
  136    HA   NLE  18          HA        NLE  18  26.730   2.506   2.506
  137   1HB   NLE  18          HB1       NLE  18  24.980   0.721   0.721
  138   2HB   NLE  18          HB2       NLE  18  24.067   1.764   1.764
  139   1HG   NLE  18          HG1       NLE  18  24.469   2.761   2.761
  140   2HG   NLE  18          HG2       NLE  18  25.076   3.746   3.746
  141   1HD   NLE  18          HD1       NLE  18  27.046   3.751   3.751
  142   2HD   NLE  18          HD2       NLE  18  27.221   2.083   2.083
  143   1HE   NLE  18          HE1       NLE  18  25.852   1.442   1.442
  144   2HE   NLE  18          HE2       NLE  18  26.150   3.088   3.088
  145   3HE   NLE  18          HE3       NLE  18  27.504   1.994   1.994
  146    H    GLU  19          HN        GLU  19  27.300   0.032   0.032
  147    HA   GLU  19          HA        GLU  19  28.234  -1.830  -1.830
  148   1HB   GLU  19          HB2       GLU  19  27.035  -2.437  -2.437
  149   2HB   GLU  19          HB1       GLU  19  28.695  -2.371  -2.371
  150   1HG   GLU  19          HG2       GLU  19  27.949  -3.935  -3.935
  151   2HG   GLU  19          HG1       GLU  19  27.875  -4.648  -4.648
  152    H    ARG  20          HN        ARG  20  29.415   0.388   0.388
  153    HA   ARG  20          HA        ARG  20  32.227  -0.403  -0.403
  154   1HB   ARG  20          HB2       ARG  20  31.297   1.907   1.907
  155   2HB   ARG  20          HB1       ARG  20  32.794   0.984   0.984
  156   1HG   ARG  20          HG2       ARG  20  31.768  -0.818  -0.818
  157   2HG   ARG  20          HG1       ARG  20  30.200  -0.479  -0.479
  158   1HD   ARG  20          HD2       ARG  20  29.579   0.612   0.612
  159   2HD   ARG  20          HD1       ARG  20  30.887   1.768   1.768
  160    HE   ARG  20          HE        ARG  20  31.325  -0.793  -0.793
  161   1HH1  ARG  20          HH11      ARG  20  30.626   2.374   2.374
  162   2HH1  ARG  20          HH12      ARG  20  32.057   2.714   2.714
  163   1HH2  ARG  20          HH21      ARG  20  33.619  -0.268  -0.268
  164   2HH2  ARG  20          HH22      ARG  20  33.752   1.217   1.217
  165    H    VAL  21          HN        VAL  21  30.374   2.725   2.725
  166    HA   VAL  21          HA        VAL  21  32.334   4.158   4.158
  167    HB   VAL  21          HB        VAL  21  30.522   5.433   5.433
  168   1HG1  VAL  21          HG12      VAL  21  29.766   4.463   4.463
  169   2HG1  VAL  21          HG11      VAL  21  29.117   5.909   5.909
  170   3HG1  VAL  21          HG13      VAL  21  30.833   5.815   5.815
  171   1HG2  VAL  21          HG23      VAL  21  28.795   3.078   3.078
  172   2HG2  VAL  21          HG22      VAL  21  29.176   3.575   3.575
  173   3HG2  VAL  21          HG21      VAL  21  28.167   4.602   4.602
  174    H    GLU  22          HN        GLU  22  30.402   1.458   1.458
  175    HA   GLU  22          HA        GLU  22  30.900   1.469   1.469
  176   1HB   GLU  22          HB2       GLU  22  29.293  -0.141  -0.141
  177   2HB   GLU  22          HB1       GLU  22  29.950  -0.444  -0.444
  178   1HG   GLU  22          HG2       GLU  22  31.407  -2.076  -2.076
  179   2HG   GLU  22          HG1       GLU  22  31.621  -1.329  -1.329
  180    H    TRP  23          HN        TRP  23  32.137  -0.736  -0.736
  181    HA   TRP  23          HA        TRP  23  34.385  -1.562  -1.562
  182   1HB   TRP  23          HB2       TRP  23  34.722  -2.954  -2.954
  183   2HB   TRP  23          HB1       TRP  23  33.105  -2.431  -2.431
  184    HD1  TRP  23          HD1       TRP  23  32.932  -2.077  -2.077
  185    HE1  TRP  23          HE1       TRP  23  34.452  -1.157  -1.157
  186    HE3  TRP  23          HE3       TRP  23  36.954  -0.909  -0.909
  187    HZ2  TRP  23          HZ2       TRP  23  37.107  -0.070  -0.070
  188    HZ3  TRP  23          HZ3       TRP  23  39.021   0.049   0.049
  189    HH2  TRP  23          HH2       TRP  23  39.088   0.482   0.482
  190    H    LEU  24          HN        LEU  24  34.300   0.655   0.655
  191    HA   LEU  24          HA        LEU  24  36.857   1.582   1.582
  192   1HB   LEU  24          HB2       LEU  24  34.202   2.753   2.753
  193   2HB   LEU  24          HB1       LEU  24  35.473   3.930   3.930
  194    HG   LEU  24          HG        LEU  24  36.780   2.295   2.295
  195   1HD1  LEU  24          HD12      LEU  24  34.500   0.995   0.995
  196   2HD1  LEU  24          HD11      LEU  24  34.014   2.293   2.293
  197   3HD1  LEU  24          HD13      LEU  24  35.391   1.271   1.271
  198   1HD2  LEU  24          HD23      LEU  24  35.208   4.764   4.764
  199   2HD2  LEU  24          HD22      LEU  24  36.833   4.407   4.407
  200   3HD2  LEU  24          HD21      LEU  24  35.428   3.922   3.922
  201    H    ARG  25          HN        ARG  25  34.572   2.208   2.208
  202    HA   ARG  25          HA        ARG  25  35.904   4.373   4.373
  203   1HB   ARG  25          HB2       ARG  25  33.756   3.713   3.713
  204   2HB   ARG  25          HB1       ARG  25  34.317   2.071   2.071
  205   1HG   ARG  25          HG2       ARG  25  35.898   4.182   4.182
  206   2HG   ARG  25          HG1       ARG  25  34.236   4.028   4.028
  207   1HD   ARG  25          HD2       ARG  25  34.658   2.044   2.044
  208   2HD   ARG  25          HD1       ARG  25  35.551   1.437   1.437
  209    HE   ARG  25          HE        ARG  25  37.430   3.027   3.027
  210   1HH1  ARG  25          HH11      ARG  25  37.159   3.837   3.837
  211   2HH1  ARG  25          HH12      ARG  25  37.252   2.488   2.488
  212   1HH2  ARG  25          HH21      ARG  25  36.665   0.127   0.127
  213   2HH2  ARG  25          HH22      ARG  25  36.973   0.386   0.386
  214    H    LYS  26          HN        LYS  26  36.291   0.871   0.871
  215    HA   LYS  26          HA        LYS  26  38.438   1.088   1.088
  216   1HB   LYS  26          HB2       LYS  26  38.665  -1.225  -1.225
  217   2HB   LYS  26          HB1       LYS  26  37.014  -0.988  -0.988
  218   1HG   LYS  26          HG2       LYS  26  38.068  -0.739  -0.739
  219   2HG   LYS  26          HG1       LYS  26  39.509  -1.457  -1.457
  220   1HD   LYS  26          HD2       LYS  26  36.737  -2.683  -2.683
  221   2HD   LYS  26          HD1       LYS  26  38.149  -3.220  -3.220
  222   1HE   LYS  26          HE2       LYS  26  39.245  -3.372  -3.372
  223   2HE   LYS  26          HE1       LYS  26  37.564  -3.503  -3.503
  224   1HZ   LYS  26          HZ3       LYS  26  38.241  -5.135  -5.135
  225   2HZ   LYS  26          HZ2       LYS  26  39.065  -5.561  -5.561
  226   3HZ   LYS  26          HZ1       LYS  26  37.366  -5.533  -5.533
  227    H    LYS  27          HN        LYS  27  38.353   1.477   1.477
  228    HA   LYS  27          HA        LYS  27  41.043   0.940   0.940
  229   1HB   LYS  27          HB2       LYS  27  38.891   1.821   1.821
  230   2HB   LYS  27          HB1       LYS  27  39.794   3.330   3.330
  231   1HG   LYS  27          HG2       LYS  27  41.611   1.197   1.197
  232   2HG   LYS  27          HG1       LYS  27  40.272   1.193   1.193
  233   1HD   LYS  27          HD2       LYS  27  40.627   3.708   3.708
  234   2HD   LYS  27          HD1       LYS  27  42.137   3.481   3.481
  235   1HE   LYS  27          HE2       LYS  27  42.082   1.481   1.481
  236   2HE   LYS  27          HE1       LYS  27  41.590   2.981   2.981
  237   1HZ   LYS  27          HZ1       LYS  27  44.009   2.641   2.641
  238   2HZ   LYS  27          HZ3       LYS  27  43.998   2.700   2.700
  239   3HZ   LYS  27          HZ2       LYS  27  43.540   4.067   4.067
  240    H    LEU  28          HN        LEU  28  39.600   3.794   3.794
  241    HA   LEU  28          HA        LEU  28  42.183   5.220   5.220
  242   1HB   LEU  28          HB2       LEU  28  39.379   5.887   5.887
  243   2HB   LEU  28          HB1       LEU  28  40.710   6.841   6.841
  244    HG   LEU  28          HG        LEU  28  39.683   7.720   7.720
  245   1HD1  LEU  28          HD12      LEU  28  42.431   7.446   7.446
  246   2HD1  LEU  28          HD11      LEU  28  42.341   7.438   7.438
  247   3HD1  LEU  28          HD13      LEU  28  41.663   8.787   8.787
  248   1HD2  LEU  28          HD22      LEU  28  41.152   5.301   5.301
  249   2HD2  LEU  28          HD21      LEU  28  39.404   5.529   5.529
  250   3HD2  LEU  28          HD23      LEU  28  40.432   6.586   6.586
  251    H    GLN  29          HN        GLN  29  39.981   3.791   3.791
  252    HA   GLN  29          HA        GLN  29  41.956   4.297   4.297
  253   1HB   GLN  29          HB2       GLN  29  39.149   3.903   3.903
  254   2HB   GLN  29          HB1       GLN  29  39.819   2.559   2.559
  255   1HG   GLN  29          HG2       GLN  29  40.876   5.292   5.292
  256   2HG   GLN  29          HG1       GLN  29  39.254   4.905   4.905
  257   1HE2  GLN  29          HE22      GLN  29  40.392   2.502   2.502
  258   2HE2  GLN  29          HE21      GLN  29  39.050   3.018   3.018
  259    H    ASP  30          HN        ASP  30  42.549   2.420   2.420
  260    HA   ASP  30          HA        ASP  30  42.500  -0.256  -0.256
  261   1HB   ASP  30          HB2       ASP  30  42.583   0.420   0.420
  262   2HB   ASP  30          HB1       ASP  30  44.317   0.590   0.590
  263    H    VAL  31          HN        VAL  31  45.010   2.218   2.218
  264    HA   VAL  31          HA        VAL  31  47.008   2.612   2.612
  265    HB   VAL  31          HB        VAL  31  46.178   0.407   0.407
  266   1HG1  VAL  31          HG13      VAL  31  48.489   1.475   1.475
  267   2HG1  VAL  31          HG12      VAL  31  47.683   2.983   2.983
  268   3HG1  VAL  31          HG11      VAL  31  47.554   1.579   1.579
  269   1HG2  VAL  31          HG22      VAL  31  44.909   2.999   2.999
  270   2HG2  VAL  31          HG21      VAL  31  44.319   1.632   1.632
  271   3HG2  VAL  31          HG23      VAL  31  45.410   2.806   2.806
  272    H    HIS  32          HN        HIS  32  48.980   1.867   1.867
  273    HA   HIS  32          HA        HIS  32  49.381  -0.432  -0.432
  274   1HB   HIS  32          HB2       HIS  32  51.754  -0.192  -0.192
  275   2HB   HIS  32          HB1       HIS  32  51.054   1.423   1.423
  276    HD1  HIS  32          HD1       HIS  32  52.977  -0.772  -0.772
  277    HD2  HIS  32          HD2       HIS  32  50.547   2.581   2.581
  278    HE1  HIS  32          HE1       HIS  32  53.473   0.146   0.146
  279    H    ASN  33          HN        ASN  33  49.795  -0.074  -0.074
  280    HA   ASN  33          HA        ASN  33  50.183  -1.750  -1.750
  281   1HB   ASN  33          HB2       ASN  33  47.722  -1.610  -1.610
  282   2HB   ASN  33          HB1       ASN  33  47.806  -2.873  -2.873
  283   1HD2  ASN  33          HD22      ASN  33  47.431  -4.055  -4.055
  284   2HD2  ASN  33          HD21      ASN  33  46.923  -2.561  -2.561
  285    H    PHE  34          HN        PHE  34  52.207  -2.660  -2.660
  286    HA   PHE  34          HA        PHE  34  53.588  -4.378  -4.378
  287   1HB   PHE  34          HB2       PHE  34  52.189  -5.575  -5.575
  288   2HB   PHE  34          HB1       PHE  34  51.101  -6.058  -6.058
  289    HD1  PHE  34          HD1       PHE  34  54.744  -6.104  -6.104
  290    HD2  PHE  34          HD2       PHE  34  51.507  -8.049  -8.049
  291    HE1  PHE  34          HE1       PHE  34  56.232  -8.014  -8.014
  292    HE2  PHE  34          HE2       PHE  34  52.995  -9.958  -9.958
  293    HZ   PHE  34          HZ        PHE  34  55.357  -9.941  -9.941