*HEADER    HORMONE/GROWTH FACTOR                   03-APR-02   1LBJ              
*TITLE     NMR SOLUTION STRUCTURE OF MOTILIN IN PHOSPHOLIPID BICELLAR            
*TITLE    2 SOLUTION                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MOTILIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE MOTILIN PEPTIDE IS NATURALLY FOUND IN HOMO           
*SOURCE   5 SAPIENS (HUMAN)                                                      
*KEYWDS    A-HELIX, B-TURN OF TYPE I                                             
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    A.ANDERSSON, L.MALER                                                  
*REVDAT   1   20-NOV-02 1LBJ    0                                                

HEADER   MOTILIN STRUCTURE 
COMPND  1 HUMAN MOTILIN, SYNTHETIC 
EXPDTA    NMR 
AUTHOR   ANDERSSON, A.; MALER, L. 
REVDAT 
REMARK   2 
REMARK   2 HYDROGEN ATOMS IN THIS RESTRAINT SET HAVE BEEN GIVEN 
REMARK   2 NAMES CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB 
REMARK   2 COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE, E.G., J.MOL. 
REMARK   2 BIOL. 52, 1 (1970)).
REMARK   2
REMARK   3
REMARK   3 MOTILIN NMR RESTRAINTS USED IN STRUCTURE
REMARK   3 DETERMINATION. COMPLETE LIST OF NOE AND DIHEDRAL ANGLE 
REMARK   3 RESTRAINTS.
REMARK   3
REMARK   3 DIHEDRAL ANGLE RESTRAINTS--                                       
REMARK   3   IN TOTAL THERE ARE 8 PHI CONSTRAINTS.
REMARK   3
REMARK   3      TABLE OF DIHEDRAL ANGLE RESTRAINT BOUNDS
REMARK   3   -------------------------------------------------------
REMARK   3        2 SER A         -80 < PHI < -40
REMARK   3        4 GLU A         -80 < PHI < -40
REMARK   3        5 GLU A         -80 < PHI < -40
REMARK   3        6 LEU A         -80 < PHI < -40
REMARK   3        9 ILE A         -80 < PHI < -40
REMARK   3       10 PHE A         -80 < PHI < -40
REMARK   3       11 GLU A         -80 < PHI < -40
REMARK   3       12 LYS A         -80 < PHI < -40
REMARK   3       13 TYR A         -90 < PHI < -30
REMARK   3       14 ALA A         -90 < PHI < -30
REMARK   3       15 ALA A         -80 < PHI < -40
REMARK   3       16 LYS A         -80 < PHI < -40
REMARK   3       21 ASN A        -200 < PHI < -40
REMARK   3
REMARK   3   THE FOLLOWING LIST CONTAINS
REMARK   3     52 INTRARESIDUE NOES
REMARK   3     77 SEQUENTIAL NOES
REMARK   3     71 MEDIUM- LONG-RANGE NOES
REMARK   3     200 TOTAL NOES
REMARK   3
REMARK   3   TABLE OF DISTANCE RESTRAINT UPPER BOUNDS (IN ANGSTROMS)
REMARK   3          ATOM 1          ATOM 2      DISTBND
REMARK   3        -----------------------------------------------
REMARK   3        1 PHE A  QB      1 PHE A  CG      3.0
REMARK   3        2 VAL A  HN      2 VAL A  HB      4.5
REMARK   3        2 VAL A  HN      2 VAL A  QQG     5.0
REMARK   3        3 PRO A  HA      3 PRO A  QB      3.5
REMARK   3        3 PRO A  HA      3 PRO A  QG      4.5
REMARK   3        4 ILE A  HN      4 ILE A  HA      3.5
REMARK   3        4 ILE A  HN      4 ILE A  HB      4.0
REMARK   3        4 ILE A  QD1     4 ILE A  HN      5.0
REMARK   3        4 ILE A  QG1     4 ILE A  HN      4.5
REMARK   3        4 ILE A  QG2     4 ILE A  HN      4.5
REMARK   3        5 PHE A  HA      5 PHE A  CG      5.0
REMARK   3        5 PHE A  HA      5 PHE A  QB      4.5
REMARK   3        5 PHE A  HN      5 PHE A  HA      3.5
REMARK   3        5 PHE A  HN      5 PHE A  QB      4.0
REMARK   3        5 PHE A  QB      5 PHE A  CG      3.0
REMARK   3        6 THR A  HN      6 THR A  HA      3.5
REMARK   3        6 THR A  HN      6 THR A  HB      4.5
REMARK   3        7 TYR A  CG      7 TYR A  HN      6.0
REMARK   3        7 TYR A  HN      7 TYR A  HA      3.5
REMARK   3        7 TYR A  HN      7 TYR A  QB      3.5
REMARK   3        8 GLY A  HN      8 GLY A  QA      3.5
REMARK   3        9 GLU A  HN      9 GLU A  HA      3.5
REMARK   3        9 GLU A  HN      9 GLU A  QB      3.5
REMARK   3       10 LEU A  HN     10 LEU A  HA      3.5
REMARK   3       10 LEU A  HN     10 LEU A  QB      3.5
REMARK   3       10 LEU A  QQD    10 LEU A  HN      4.5
REMARK   3       11 GLN A  HN     11 GLN A  HA      3.5
REMARK   3       11 GLN A  HN     11 GLN A  QB      3.5
REMARK   3       12 ARG A  HE     12 ARG A  QB      4.5
REMARK   3       12 ARG A  HE     12 ARG A  QD      3.5
REMARK   3       12 ARG A  HE     12 ARG A  QG      4.5
REMARK   3       12 ARG A  HN     12 ARG A  HA      3.5
REMARK   3       12 ARG A  HN     12 ARG A  QB      3.5
REMARK   3       13 MET A  HN     13 MET A  HA      3.5
REMARK   3       13 MET A  HN     13 MET A  QB      3.5
REMARK   3       14 GLN A  HN     14 GLN A  HA      3.5
REMARK   3       14 GLN A  HN     14 GLN A  QB      3.5
REMARK   3       14 GLN A  QE2    14 GLN A  QG      4.5
REMARK   3       15 GLU A  HN     15 GLU A  HA      3.5
REMARK   3       15 GLU A  HN     15 GLU A  QB      3.5
REMARK   3       16 LYS A  HN     16 LYS A  HA      3.5
REMARK   3       16 LYS A  HN     16 LYS A  QB      3.5
REMARK   3       17 GLU A  HN     17 GLU A  HA      3.5
REMARK   3       17 GLU A  HN     17 GLU A  QB      3.5
REMARK   3       18 ARG A  HN     18 ARG A  HA      3.5
REMARK   3       18 ARG A  HN     18 ARG A  QB      3.5
REMARK   3       19 ASN A  HN     19 ASN A  HA      3.5
REMARK   3       19 ASN A  HN     19 ASN A  QB      3.5
REMARK   3       19 ASN A  QB     19 ASN A  QD2     5.0
REMARK   3       20 LYS A  HN     20 LYS A  HA      3.5
REMARK   3       20 LYS A  HN     20 LYS A  QB      3.5
REMARK   3       21 GLY A  HN     21 GLY A  QA      3.5
REMARK   3        2 VAL A  HN      1 PHE A  CZ      6.0
REMARK   3        2 VAL A  HN      1 PHE A  HA      3.5
REMARK   3        2 VAL A  HN      1 PHE A  QB      4.0
REMARK   3        2 VAL A  QQG     1 PHE A  CZ      6.0
REMARK   3        3 PRO A  QD      2 VAL A  HN      6.0
REMARK   3        3 PRO A  QD      2 VAL A  QQG     5.0
REMARK   3        3 PRO A  HA      4 ILE A  HB      6.0
REMARK   3        3 PRO A  HA      4 ILE A  QD1     6.0
REMARK   3        3 PRO A  HA      4 ILE A  QG1     6.0
REMARK   3        3 PRO A  QB      4 ILE A  HN      4.5
REMARK   3        3 PRO A  QG      4 ILE A  HN      5.0
REMARK   3        4 ILE A  HN      3 PRO A  HA      3.5
REMARK   3        4 ILE A  HB      5 PHE A  CG      6.0
REMARK   3        4 ILE A  QD1     5 PHE A  CZ      6.0
REMARK   3        4 ILE A  QD1     5 PHE A  HN      5.0
REMARK   3        4 ILE A  QG2     5 PHE A  CZ      6.0
REMARK   3        5 PHE A  CG      4 ILE A  QD1     6.0
REMARK   3        5 PHE A  CG      4 ILE A  QG1     6.0
REMARK   3        5 PHE A  CG      4 ILE A  QG2     6.0
REMARK   3        5 PHE A  HN      4 ILE A  HA      3.5
REMARK   3        5 PHE A  HN      4 ILE A  HB      4.5
REMARK   3        5 PHE A  HN      4 ILE A  HN      3.0
REMARK   3        5 PHE A  HN      4 ILE A  QG1     4.5
REMARK   3        5 PHE A  HN      4 ILE A  QG2     5.0
REMARK   3        6 THR A  HN      5 PHE A  CG      6.0
REMARK   3        6 THR A  HN      5 PHE A  HA      3.5
REMARK   3        6 THR A  HN      5 PHE A  HN      2.5
REMARK   3        6 THR A  HN      5 PHE A  QB      4.5
REMARK   3        7 TYR A  CG      6 THR A  QG2     6.0
REMARK   3        7 TYR A  HN      6 THR A  HA      3.5
REMARK   3        7 TYR A  HN      6 THR A  HB      4.5
REMARK   3        7 TYR A  HN      6 THR A  HN      3.5
REMARK   3        7 TYR A  HN      6 THR A  QG2     4.5
REMARK   3        7 TYR A  CG      8 GLY A  QA      6.0
REMARK   3        8 GLY A  HN      7 TYR A  CG      5.0
REMARK   3        8 GLY A  HN      7 TYR A  HA      3.5
REMARK   3        8 GLY A  HN      7 TYR A  HN      3.5
REMARK   3        8 GLY A  HN      7 TYR A  QB      4.0
REMARK   3        9 GLU A  HN      8 GLY A  HN      3.5
REMARK   3        9 GLU A  HN      8 GLY A  QA      4.0
REMARK   3       10 LEU A  HN      9 GLU A  HA      4.5
REMARK   3       10 LEU A  HN      9 GLU A  HN      3.5
REMARK   3       10 LEU A  HN      9 GLU A  QB      4.0
REMARK   3       10 LEU A  HN      9 GLU A  QG      4.5
REMARK   3       11 GLN A  HN     10 LEU A  HN      3.5
REMARK   3       11 GLN A  HN     10 LEU A  QB      3.5
REMARK   3       11 GLN A  HN     10 LEU A  QQD     5.0
REMARK   3       11 GLN A  HA     12 ARG A  QB      6.0
REMARK   3       12 ARG A  HN     11 GLN A  HA      4.0
REMARK   3       12 ARG A  HN     11 GLN A  HN      3.0
REMARK   3       12 ARG A  HN     11 GLN A  QB      4.5
REMARK   3       13 MET A  HN     12 ARG A  HA      4.0
REMARK   3       13 MET A  HN     12 ARG A  HN      3.0
REMARK   3       13 MET A  HN     12 ARG A  QB      4.5
REMARK   3       14 GLN A  HN     13 MET A  HA      4.5
REMARK   3       14 GLN A  HN     13 MET A  HN      3.5
REMARK   3       14 GLN A  HN     13 MET A  QB      4.5
REMARK   3       14 GLN A  HN     13 MET A  QG      5.0
REMARK   3       15 GLU A  HN     14 GLN A  HN      3.0
REMARK   3       15 GLU A  HN     14 GLN A  QB      4.5
REMARK   3       16 LYS A  HN     15 GLU A  HA      4.5
REMARK   3       16 LYS A  HN     15 GLU A  HN      3.0
REMARK   3       16 LYS A  HN     15 GLU A  QB      4.5
REMARK   3       17 GLU A  HN     16 LYS A  HA      4.5
REMARK   3       17 GLU A  HN     16 LYS A  HN      3.0
REMARK   3       17 GLU A  HN     16 LYS A  QB      4.5
REMARK   3       18 ARG A  HN     17 GLU A  HN      3.0
REMARK   3       19 ASN A  HN     18 ARG A  HA      4.5
REMARK   3       19 ASN A  HN     18 ARG A  HN      3.5
REMARK   3       19 ASN A  HN     18 ARG A  QB      4.5
REMARK   3       20 LYS A  HN     19 ASN A  HA      4.5
REMARK   3       20 LYS A  HN     19 ASN A  HN      3.5
REMARK   3       20 LYS A  HN     19 ASN A  QB      5.0
REMARK   3       21 GLY A  HN     20 LYS A  HA      4.5
REMARK   3       21 GLY A  HN     20 LYS A  HN      6.0
REMARK   3       22 GLN A  HN     21 GLY A  HN      4.5
REMARK   3       22 GLN A  HN     21 GLY A  QA      6.0
REMARK   3        3 PRO A  HA      1 PHE A  CZ      6.0
REMARK   3        3 PRO A  QD      1 PHE A  CZ      6.0
REMARK   3        4 ILE A  QD1     2 VAL A  QQG     3.5
REMARK   3        4 ILE A  QG2     2 VAL A  QQG     6.0
REMARK   3        4 ILE A  HN      6 THR A  HN      4.0
REMARK   3        5 PHE A  HN      3 PRO A  HA      4.5
REMARK   3        5 PHE A  HN      3 PRO A  QB      6.0
REMARK   3        5 PHE A  CG     10 LEU A  QQD     5.0
REMARK   3        5 PHE A  HN     10 LEU A  QQD     6.0
REMARK   3        6 THR A  HN      3 PRO A  HA      3.5
REMARK   3        6 THR A  HN      3 PRO A  QB      4.5
REMARK   3        6 THR A  HN      4 ILE A  HA      4.0
REMARK   3        6 THR A  HN      4 ILE A  HB      5.0
REMARK   3        6 THR A  HN      4 ILE A  QD1     6.0
REMARK   3        6 THR A  HN      4 ILE A  QG1     5.0
REMARK   3        6 THR A  HN     10 LEU A  QQD     6.0
REMARK   3        7 TYR A  HN      9 GLU A  HN      6.0
REMARK   3        7 TYR A  HA     10 LEU A  QB      6.0
REMARK   3        7 TYR A  HN     10 LEU A  QQD     6.0
REMARK   3        8 GLY A  HN      6 THR A  HA      6.0
REMARK   3        8 GLY A  HN      6 THR A  HN      6.0
REMARK   3        8 GLY A  HN      6 THR A  QG2     6.0
REMARK   3        8 GLY A  HN     10 LEU A  HN      6.0
REMARK   3        9 GLU A  HN      4 ILE A  QD1     6.0
REMARK   3        9 GLU A  HN      6 THR A  QG2     6.0
REMARK   3        9 GLU A  HN      7 TYR A  HA      6.0
REMARK   3        9 GLU A  HA     12 ARG A  QB      4.5
REMARK   3       10 LEU A  QQD     5 PHE A  CZ      4.5
REMARK   3       10 LEU A  QQD     5 PHE A  HZ      5.0
REMARK   3       10 LEU A  HN      7 TYR A  CG      6.0
REMARK   3       10 LEU A  HN      7 TYR A  HA      6.0
REMARK   3       10 LEU A  HN      7 TYR A  QB      6.0
REMARK   3       10 LEU A  QQD     7 TYR A  CG      5.0
REMARK   3       10 LEU A  QQD     7 TYR A  CZ      5.0
REMARK   3       10 LEU A  HN      8 GLY A  QA      6.0
REMARK   3       10 LEU A  HA     13 MET A  QB      4.5
REMARK   3       10 LEU A  HA     13 MET A  QG      6.0
REMARK   3       10 LEU A  QQD    14 GLN A  QE2     6.0
REMARK   3       11 GLN A  HN      8 GLY A  QA      6.0
REMARK   3       11 GLN A  HA     14 GLN A  QB      4.0
REMARK   3       12 ARG A  HN      8 GLY A  QA      6.0
REMARK   3       12 ARG A  HN      9 GLU A  HA      4.0
REMARK   3       12 ARG A  HN      9 GLU A  QB      6.0
REMARK   3       12 ARG A  HN     10 LEU A  HN      5.0
REMARK   3       12 ARG A  HN     10 LEU A  QQD     6.0
REMARK   3       12 ARG A  QG     15 GLU A  HN      5.0
REMARK   3       13 MET A  HN      9 GLU A  HA      5.0
REMARK   3       13 MET A  HN     10 LEU A  HA      3.5
REMARK   3       13 MET A  HN     10 LEU A  QQD     6.0
REMARK   3       13 MET A  QB     10 LEU A  HA      5.0
REMARK   3       13 MET A  QB     10 LEU A  QQD     6.0
REMARK   3       13 MET A  HN     11 GLN A  HA      5.0
REMARK   3       14 GLN A  HN     11 GLN A  HA      3.5
REMARK   3       14 GLN A  QE2    11 GLN A  QE2     6.0
REMARK   3       15 GLU A  HN     12 ARG A  HA      3.5
REMARK   3       15 GLU A  QB     12 ARG A  HA      4.0
REMARK   3       15 GLU A  HN     13 MET A  HA      6.0
REMARK   3       16 LYS A  HN     12 ARG A  HA      5.0
REMARK   3       16 LYS A  HN     13 MET A  HA      3.5
REMARK   3       16 LYS A  HN     13 MET A  QB      6.0
REMARK   3       16 LYS A  HN     14 GLN A  HA      6.0
REMARK   3       16 LYS A  HA     19 ASN A  QB      4.0
REMARK   3       17 GLU A  HN     14 GLN A  HA      3.5
REMARK   3       17 GLU A  HA     21 GLY A  HN      6.0
REMARK   3       18 ARG A  HN     15 GLU A  HA      4.5
REMARK   3       19 ASN A  HN     16 LYS A  HA      5.0
REMARK   3       20 LYS A  HN     17 GLU A  HA      6.0
REMARK   3       22 GLN A  HN     20 LYS A  HA      6.0
REMARK   3        4 ILE A  HN     10 LEU A  QQD     6.0
REMARK   3        4 ILE A  QG1    10 LEU A  QQD     6.0
REMARK   3        4 ILE A  QG2    10 LEU A  QQD     6.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          H1        PHE   1   0.628   8.560  -1.953
    2   2H    PHE   1          H2        PHE   1   0.009   8.933  -0.464
    3   3H    PHE   1          H3        PHE   1  -0.895   8.073  -1.530
    4    HA   PHE   1           HA       PHE   1   0.555   6.231  -1.413
    5   1HB   PHE   1          HB2       PHE   1   2.377   6.254   0.317
    6   2HB   PHE   1          HB3       PHE   1   2.656   7.269  -1.087
    7    HD1  PHE   1           HD1      PHE   1   1.386   7.464   2.476
    8    HD2  PHE   1           HD2      PHE   1   3.341   9.501  -0.790
    9    HE1  PHE   1           HE1      PHE   1   1.798   9.413   3.934
   10    HE2  PHE   1           HE2      PHE   1   3.799  11.426   0.699
   11    HZ   PHE   1           HZ       PHE   1   3.023  11.391   3.059
   12    H    VAL   2           H        VAL   2   0.403   4.603   0.284
   13    HA   VAL   2           HA       VAL   2  -1.682   5.185   2.305
   14    HB   VAL   2           HB       VAL   2  -0.332   2.568   1.532
   15   1HG1  VAL   2          HG11      VAL   2  -1.191   2.575   3.868
   16   2HG1  VAL   2          HG12      VAL   2  -2.768   3.144   3.284
   17   3HG1  VAL   2          HG13      VAL   2  -2.172   1.538   2.825
   18   1HG2  VAL   2          HG21      VAL   2  -2.524   2.044   0.472
   19   2HG2  VAL   2          HG22      VAL   2  -3.072   3.700   0.800
   20   3HG2  VAL   2          HG23      VAL   2  -1.727   3.406  -0.323
   21    HA   PRO   3           HA       PRO   3   2.009   5.674   4.912
   22   1HB   PRO   3          HB2       PRO   3   0.898   6.582   7.223
   23   2HB   PRO   3          HB3       PRO   3   0.867   7.547   5.725
   24   1HG   PRO   3          HG2       PRO   3  -1.323   5.731   6.773
   25   2HG   PRO   3          HG3       PRO   3  -1.473   7.445   6.288
   26   1HD   PRO   3          HD2       PRO   3  -2.061   5.390   4.583
   27   2HD   PRO   3          HD3       PRO   3  -1.298   6.897   3.989
   28    H    ILE   4           H        ILE   4   1.676   3.149   4.445
   29    HA   ILE   4           HA       ILE   4   0.306   1.439   6.020
   30    HB   ILE   4           HB       ILE   4   2.576  -0.094   5.455
   31   1HG1  ILE   4          HG12      ILE   4   3.323   0.406   3.233
   32   2HG1  ILE   4          HG13      ILE   4   2.354   1.863   3.133
   33   1HG2  ILE   4          HG21      ILE   4   1.313  -0.872   3.516
   34   2HG2  ILE   4          HG22      ILE   4   0.254  -0.634   4.914
   35   3HG2  ILE   4          HG23      ILE   4   0.270   0.561   3.597
   36   1HD1  ILE   4          HD11      ILE   4   4.739   1.419   4.988
   37   2HD1  ILE   4          HD12      ILE   4   3.852   2.953   4.822
   38   3HD1  ILE   4          HD13      ILE   4   4.747   2.315   3.461
   39    H    PHE   5           H        PHE   5   3.638   2.257   6.646
   40    HA   PHE   5           HA       PHE   5   3.098   2.034   9.556
   41   1HB   PHE   5          HB2       PHE   5   5.375   1.094   9.933
   42   2HB   PHE   5          HB3       PHE   5   4.221  -0.022   9.232
   43    HD1  PHE   5           HD1      PHE   5   7.370   1.781   8.691
   44    HD2  PHE   5           HD2      PHE   5   4.466  -0.878   6.945
   45    HE1  PHE   5           HE1      PHE   5   8.993   1.172   6.908
   46    HE2  PHE   5           HE2      PHE   5   6.093  -1.497   5.179
   47    HZ   PHE   5           HZ       PHE   5   8.354  -0.464   5.151
   48    H    THR   6           H        THR   6   2.843   4.110   7.821
   49    HA   THR   6           HA       THR   6   3.389   6.310   7.618
   50    HB   THR   6           HB       THR   6   6.068   6.042   9.002
   51    HG1  THR   6           HG1      THR   6   4.806   5.147  10.466
   52   1HG2  THR   6          HG21      THR   6   5.568   8.329   9.692
   53   2HG2  THR   6          HG22      THR   6   5.467   8.195   7.926
   54   3HG2  THR   6          HG23      THR   6   3.980   8.256   8.905
   55    H    TYR   7           H        TYR   7   3.735   6.548   5.467
   56    HA   TYR   7           HA       TYR   7   5.263   4.872   3.892
   57   1HB   TYR   7          HB2       TYR   7   3.511   6.244   2.981
   58   2HB   TYR   7          HB3       TYR   7   4.387   7.728   3.390
   59    HD1  TYR   7           HD1      TYR   7   5.877   8.705   1.812
   60    HD2  TYR   7           HD2      TYR   7   4.660   4.595   1.326
   61    HE1  TYR   7           HE1      TYR   7   7.192   8.558  -0.283
   62    HE2  TYR   7           HE2      TYR   7   5.967   4.458  -0.770
   63    HH   TYR   7           HH       TYR   7   7.392   5.558  -2.210
   64    H    GLY   8           H        GLY   8   6.274   7.940   5.321
   65   1HA   GLY   8          HA2       GLY   8   8.750   8.398   4.154
   66   2HA   GLY   8          HA3       GLY   8   8.379   8.710   5.858
   67    H    GLU   9           H        GLU   9   7.953   5.955   6.688
   68    HA   GLU   9           HA       GLU   9  10.719   5.240   7.194
   69   1HB   GLU   9          HB2       GLU   9   8.093   3.830   7.809
   70   2HB   GLU   9          HB3       GLU   9   9.690   3.292   8.353
   71   1HG   GLU   9          HG2       GLU   9  10.020   5.381   9.601
   72   2HG   GLU   9          HG3       GLU   9   8.477   6.016   9.014
   73    H    LEU  10           H        LEU  10   8.071   3.944   5.145
   74    HA   LEU  10           HA       LEU  10   9.540   1.680   4.177
   75   1HB   LEU  10          HB2       LEU  10   7.116   1.925   4.003
   76   2HB   LEU  10          HB3       LEU  10   7.277   3.224   2.821
   77    HG   LEU  10           HG       LEU  10   8.609   0.547   2.296
   78   1HD1  LEU  10          HD11      LEU  10   6.272   0.020   2.969
   79   2HD1  LEU  10          HD12      LEU  10   5.681   1.130   1.710
   80   3HD1  LEU  10          HD13      LEU  10   6.588  -0.326   1.263
   81   1HD2  LEU  10          HD21      LEU  10   9.032   2.357   0.631
   82   2HD2  LEU  10          HD22      LEU  10   8.019   1.102  -0.069
   83   3HD2  LEU  10          HD23      LEU  10   7.286   2.622   0.475
   84    H    GLN  11           H        GLN  11   9.131   5.021   2.941
   85    HA   GLN  11           HA       GLN  11  10.755   4.692   0.655
   86   1HB   GLN  11          HB2       GLN  11   9.170   6.661   1.422
   87   2HB   GLN  11          HB3       GLN  11  10.646   7.343   2.112
   88   1HG   GLN  11          HG2       GLN  11  10.131   6.526  -0.792
   89   2HG   GLN  11          HG3       GLN  11  10.210   8.177  -0.179
   90   1HE2  GLN  11          HE22      GLN  11  12.398   8.696   1.015
   91   2HE2  GLN  11          HE21      GLN  11  13.838   8.148   0.182
   92    H    ARG  12           H        ARG  12  11.622   5.769   4.001
   93    HA   ARG  12           HA       ARG  12  14.376   6.138   3.537
   94   1HB   ARG  12          HB2       ARG  12  13.218   6.776   5.629
   95   2HB   ARG  12          HB3       ARG  12  13.032   5.064   6.051
   96   1HG   ARG  12          HG2       ARG  12  15.529   4.815   6.008
   97   2HG   ARG  12          HG3       ARG  12  15.674   6.542   5.659
   98   1HD   ARG  12          HD2       ARG  12  14.632   7.110   7.789
   99   2HD   ARG  12          HD3       ARG  12  14.275   5.421   8.143
  100    HE   ARG  12           HE       ARG  12  16.785   6.828   8.494
  101   1HH1  ARG  12          HH11      ARG  12  15.410   3.631   7.888
  102   2HH1  ARG  12          HH12      ARG  12  16.751   2.760   8.584
  103   1HH2  ARG  12          HH21      ARG  12  18.552   5.710   9.392
  104   2HH2  ARG  12          HH22      ARG  12  18.575   3.969   9.445
  105    H    MET  13           H        MET  13  12.637   3.125   4.524
  106    HA   MET  13           HA       MET  13  14.900   1.459   4.626
  107   1HB   MET  13          HB2       MET  13  12.709   0.814   5.505
  108   2HB   MET  13          HB3       MET  13  12.016   0.794   3.884
  109   1HG   MET  13          HG2       MET  13  12.533  -1.471   4.712
  110   2HG   MET  13          HG3       MET  13  13.372  -1.078   3.219
  111   1HE   MET  13          HE1       MET  13  13.701  -1.612   7.082
  112   2HE   MET  13          HE2       MET  13  15.445  -1.370   7.341
  113   3HE   MET  13          HE3       MET  13  14.416   0.014   6.915
  114    H    GLN  14           H        GLN  14  12.661   2.008   1.872
  115    HA   GLN  14           HA       GLN  14  13.970   0.525  -0.118
  116   1HB   GLN  14          HB2       GLN  14  11.783   1.554  -0.441
  117   2HB   GLN  14          HB3       GLN  14  12.453   3.170  -0.219
  118   1HG   GLN  14          HG2       GLN  14  13.781   2.909  -2.327
  119   2HG   GLN  14          HG3       GLN  14  13.042   1.313  -2.546
  120   1HE2  GLN  14          HE22      GLN  14  12.149   4.834  -2.018
  121   2HE2  GLN  14          HE21      GLN  14  10.748   4.724  -3.063
  122    H    GLU  15           H        GLU  15  14.515   3.933   0.815
  123    HA   GLU  15           HA       GLU  15  16.517   4.489  -1.085
  124   1HB   GLU  15          HB2       GLU  15  15.148   6.090   0.259
  125   2HB   GLU  15          HB3       GLU  15  16.159   5.743   1.672
  126   1HG   GLU  15          HG2       GLU  15  18.140   6.604   0.464
  127   2HG   GLU  15          HG3       GLU  15  17.162   6.849  -0.994
  128    H    LYS  16           H        LYS  16  16.757   3.215   2.274
  129    HA   LYS  16           HA       LYS  16  19.623   3.163   2.235
  130   1HB   LYS  16          HB2       LYS  16  17.596   1.702   3.951
  131   2HB   LYS  16          HB3       LYS  16  19.335   1.609   4.238
  132   1HG   LYS  16          HG2       LYS  16  18.011   4.337   4.084
  133   2HG   LYS  16          HG3       LYS  16  17.801   3.347   5.520
  134   1HD   LYS  16          HD2       LYS  16  19.623   4.917   5.824
  135   2HD   LYS  16          HD3       LYS  16  20.203   3.250   5.925
  136   1HE   LYS  16          HE2       LYS  16  21.204   3.388   3.716
  137   2HE   LYS  16          HE3       LYS  16  20.429   4.966   3.406
  138   1HZ   LYS  16          HZ1       LYS  16  21.777   5.877   5.133
  139   2HZ   LYS  16          HZ2       LYS  16  22.487   4.412   5.414
  140   3HZ   LYS  16          HZ3       LYS  16  22.696   5.167   3.960
  141    H    GLU  17           H        GLU  17  17.153   0.693   1.401
  142    HA   GLU  17           HA       GLU  17  19.011  -1.415   0.873
  143   1HB   GLU  17          HB2       GLU  17  16.292  -0.769  -0.332
  144   2HB   GLU  17          HB3       GLU  17  17.204  -2.243  -0.687
  145   1HG   GLU  17          HG2       GLU  17  17.190  -2.917   1.650
  146   2HG   GLU  17          HG3       GLU  17  16.420  -1.408   2.144
  147    H    ARG  18           H        ARG  18  17.740   1.200  -1.252
  148    HA   ARG  18           HA       ARG  18  19.332   0.536  -3.528
  149   1HB   ARG  18          HB2       ARG  18  18.194   3.195  -2.576
  150   2HB   ARG  18          HB3       ARG  18  19.100   2.977  -4.075
  151   1HG   ARG  18          HG2       ARG  18  17.434   1.210  -4.779
  152   2HG   ARG  18          HG3       ARG  18  16.486   1.571  -3.328
  153   1HD   ARG  18          HD2       ARG  18  15.592   2.768  -5.282
  154   2HD   ARG  18          HD3       ARG  18  16.236   3.922  -4.088
  155    HE   ARG  18           HE       ARG  18  18.293   3.227  -5.953
  156   1HH1  ARG  18          HH21      ARG  18  15.295   5.095  -5.875
  157   2HH1  ARG  18          HH22      ARG  18  15.854   6.272  -7.035
  158   1HH2  ARG  18          HH11      ARG  18  19.037   4.682  -7.337
  159   2HH2  ARG  18          HH12      ARG  18  18.068   6.021  -7.946
  160    H    ASN  19           H        ASN  19  20.058   2.703  -0.747
  161    HA   ASN  19           HA       ASN  19  22.568   3.607  -1.595
  162   1HB   ASN  19          HB2       ASN  19  21.287   4.417   0.394
  163   2HB   ASN  19          HB3       ASN  19  21.749   2.948   1.260
  164   1HD2  ASN  19          HD22      ASN  19  24.601   3.519  -0.391
  165   2HD2  ASN  19          HD21      ASN  19  25.299   4.637   0.759
  166    H    LYS  20           H        LYS  20  21.738   0.585   0.178
  167    HA   LYS  20           HA       LYS  20  24.471  -0.353   0.343
  168   1HB   LYS  20          HB2       LYS  20  21.801  -1.812   0.470
  169   2HB   LYS  20          HB3       LYS  20  23.374  -2.564   0.780
  170   1HG   LYS  20          HG2       LYS  20  23.800  -1.045   2.649
  171   2HG   LYS  20          HG3       LYS  20  22.287  -0.176   2.339
  172   1HD   LYS  20          HD2       LYS  20  20.994  -2.254   2.756
  173   2HD   LYS  20          HD3       LYS  20  22.506  -3.126   3.088
  174   1HE   LYS  20          HE2       LYS  20  22.972  -1.576   4.986
  175   2HE   LYS  20          HE3       LYS  20  21.457  -0.714   4.650
  176   1HZ   LYS  20          HZ1       LYS  20  20.279  -2.739   5.107
  177   2HZ   LYS  20          HZ2       LYS  20  21.686  -3.540   5.417
  178   3HZ   LYS  20          HZ3       LYS  20  21.206  -2.306   6.398
  179    H    GLY  21           H        GLY  21  21.780  -1.028  -1.935
  180   1HA   GLY  21          HA2       GLY  21  23.094  -3.020  -3.435
  181   2HA   GLY  21          HA3       GLY  21  21.722  -2.043  -3.977
  182    H    GLN  22           H        GLN  22  22.775   0.498  -4.121
  183    HA   GLN  22           HA       GLN  22  24.267   0.296  -6.627
  184   1HB   GLN  22          HB2       GLN  22  23.267   2.706  -5.047
  185   2HB   GLN  22          HB3       GLN  22  24.034   2.751  -6.642
  186   1HG   GLN  22          HG2       GLN  22  22.191   1.255  -7.513
  187   2HG   GLN  22          HG3       GLN  22  21.401   1.364  -5.934
  188   1HE2  GLN  22          HE22      GLN  22  22.948   3.726  -8.219
  189   2HE2  GLN  22          HE21      GLN  22  21.592   4.833  -8.212
  Start of MODEL    2
    1   1H    PHE   1          H1        PHE   1   0.524   5.303  -2.516
    2   2H    PHE   1          H2        PHE   1   1.146   6.719  -3.095
    3   3H    PHE   1          H3        PHE   1  -0.408   6.659  -2.531
    4    HA   PHE   1           HA       PHE   1   1.987   6.239  -0.915
    5   1HB   PHE   1          HB2       PHE   1   1.739   8.571  -1.655
    6   2HB   PHE   1          HB3       PHE   1   0.089   8.609  -1.046
    7    HD1  PHE   1           HD1      PHE   1  -0.360   8.582   1.422
    8    HD2  PHE   1           HD2      PHE   1   3.642   8.830  -0.171
    9    HE1  PHE   1           HE1      PHE   1   0.473   9.347   3.625
   10    HE2  PHE   1           HE2      PHE   1   4.444   9.703   2.006
   11    HZ   PHE   1           HZ       PHE   1   2.875   9.910   3.922
   12    H    VAL   2           H        VAL   2   1.544   4.977   0.835
   13    HA   VAL   2           HA       VAL   2  -1.067   5.268   2.193
   14    HB   VAL   2           HB       VAL   2   0.276   2.589   1.644
   15   1HG1  VAL   2          HG11      VAL   2  -2.340   3.293   3.055
   16   2HG1  VAL   2          HG12      VAL   2  -1.728   1.658   2.745
   17   3HG1  VAL   2          HG13      VAL   2  -0.864   2.726   3.859
   18   1HG2  VAL   2          HG21      VAL   2  -1.802   2.078   0.362
   19   2HG2  VAL   2          HG22      VAL   2  -2.306   3.773   0.530
   20   3HG2  VAL   2          HG23      VAL   2  -0.848   3.354  -0.398
   21    HA   PRO   3           HA       PRO   3   2.360   5.810   5.064
   22   1HB   PRO   3          HB2       PRO   3   1.102   6.960   7.185
   23   2HB   PRO   3          HB3       PRO   3   1.225   7.780   5.609
   24   1HG   PRO   3          HG2       PRO   3  -1.103   6.127   6.633
   25   2HG   PRO   3          HG3       PRO   3  -1.156   7.792   5.983
   26   1HD   PRO   3          HD2       PRO   3  -1.670   5.596   4.431
   27   2HD   PRO   3          HD3       PRO   3  -0.827   7.028   3.768
   28    H    ILE   4           H        ILE   4   1.917   3.238   4.791
   29    HA   ILE   4           HA       ILE   4   0.394   1.792   6.513
   30    HB   ILE   4           HB       ILE   4   2.564   0.063   6.193
   31   1HG1  ILE   4          HG12      ILE   4   3.341   0.244   3.917
   32   2HG1  ILE   4          HG13      ILE   4   2.520   1.777   3.676
   33   1HG2  ILE   4          HG21      ILE   4   0.337   0.631   4.214
   34   2HG2  ILE   4          HG22      ILE   4   1.280  -0.867   4.339
   35   3HG2  ILE   4          HG23      ILE   4   0.216  -0.386   5.669
   36   1HD1  ILE   4          HD11      ILE   4   4.971   1.954   3.999
   37   2HD1  ILE   4          HD12      ILE   4   4.108   2.880   5.221
   38   3HD1  ILE   4          HD13      ILE   4   4.812   1.296   5.633
   39    H    PHE   5           H        PHE   5   3.757   2.524   7.134
   40    HA   PHE   5           HA       PHE   5   3.119   2.665  10.024
   41   1HB   PHE   5          HB2       PHE   5   5.362   1.690  10.574
   42   2HB   PHE   5          HB3       PHE   5   4.140   0.560  10.029
   43    HD1  PHE   5           HD1      PHE   5   4.345  -0.672   7.936
   44    HD2  PHE   5           HD2      PHE   5   7.371   2.123   9.198
   45    HE1  PHE   5           HE1      PHE   5   5.954  -1.701   6.355
   46    HE2  PHE   5           HE2      PHE   5   8.983   1.083   7.611
   47    HZ   PHE   5           HZ       PHE   5   8.283  -0.834   6.208
   48    H    THR   6           H        THR   6   2.985   4.532   8.089
   49    HA   THR   6           HA       THR   6   3.577   6.679   7.665
   50    HB   THR   6           HB       THR   6   6.085   6.454   9.377
   51    HG1  THR   6           HG1      THR   6   4.277   5.968  10.615
   52   1HG2  THR   6          HG21      THR   6   4.386   8.815   8.478
   53   2HG2  THR   6          HG22      THR   6   5.796   8.879   9.552
   54   3HG2  THR   6          HG23      THR   6   6.003   8.400   7.859
   55    H    TYR   7           H        TYR   7   4.024   6.709   5.540
   56    HA   TYR   7           HA       TYR   7   5.596   4.796   4.297
   57   1HB   TYR   7          HB2       TYR   7   3.816   6.056   3.142
   58   2HB   TYR   7          HB3       TYR   7   4.814   7.510   3.207
   59    HD1  TYR   7           HD1      TYR   7   6.223   7.996   1.344
   60    HD2  TYR   7           HD2      TYR   7   4.953   3.929   2.020
   61    HE1  TYR   7           HE1      TYR   7   7.527   7.256  -0.624
   62    HE2  TYR   7           HE2      TYR   7   6.340   3.183   0.109
   63    HH   TYR   7           HH       TYR   7   7.971   3.803  -1.431
   64    H    GLY   8           H        GLY   8   6.599   7.966   5.453
   65   1HA   GLY   8          HA2       GLY   8   9.058   8.405   4.277
   66   2HA   GLY   8          HA3       GLY   8   8.715   8.696   5.990
   67    H    GLU   9           H        GLU   9   8.296   5.931   6.784
   68    HA   GLU   9           HA       GLU   9  11.043   5.172   7.273
   69   1HB   GLU   9          HB2       GLU   9   8.456   3.603   7.642
   70   2HB   GLU   9          HB3       GLU   9  10.027   3.229   8.380
   71   1HG   GLU   9          HG2       GLU   9   8.306   5.698   8.927
   72   2HG   GLU   9          HG3       GLU   9   8.520   4.310   9.989
   73    H    LEU  10           H        LEU  10   8.421   3.820   5.279
   74    HA   LEU  10           HA       LEU  10   9.856   1.636   4.164
   75   1HB   LEU  10          HB2       LEU  10   7.322   2.205   4.238
   76   2HB   LEU  10          HB3       LEU  10   7.622   3.203   2.821
   77    HG   LEU  10           HG       LEU  10   6.707   1.156   2.108
   78   1HD1  LEU  10          HD11      LEU  10   8.679   2.032   0.804
   79   2HD1  LEU  10          HD12      LEU  10   9.654   0.737   1.549
   80   3HD1  LEU  10          HD13      LEU  10   8.265   0.327   0.534
   81   1HD2  LEU  10          HD21      LEU  10   7.621  -1.063   2.605
   82   2HD2  LEU  10          HD22      LEU  10   8.842  -0.350   3.674
   83   3HD2  LEU  10          HD23      LEU  10   7.111  -0.220   4.075
   84    H    GLN  11           H        GLN  11   9.336   4.991   3.065
   85    HA   GLN  11           HA       GLN  11  10.774   4.903   0.654
   86   1HB   GLN  11          HB2       GLN  11   9.244   6.728   1.520
   87   2HB   GLN  11          HB3       GLN  11  10.571   7.278   2.551
   88   1HG   GLN  11          HG2       GLN  11  11.969   7.653   0.517
   89   2HG   GLN  11          HG3       GLN  11  10.654   7.028  -0.492
   90   1HE2  GLN  11          HE22      GLN  11  11.246   9.552   2.044
   91   2HE2  GLN  11          HE21      GLN  11  10.197  10.737   1.284
   92    H    ARG  12           H        ARG  12  11.908   5.805   3.991
   93    HA   ARG  12           HA       ARG  12  14.602   6.198   3.260
   94   1HB   ARG  12          HB2       ARG  12  13.596   6.833   5.438
   95   2HB   ARG  12          HB3       ARG  12  13.580   5.122   5.916
   96   1HG   ARG  12          HG2       ARG  12  16.036   5.020   5.682
   97   2HG   ARG  12          HG3       ARG  12  16.072   6.684   5.074
   98   1HD   ARG  12          HD2       ARG  12  16.762   6.618   7.398
   99   2HD   ARG  12          HD3       ARG  12  15.272   7.528   7.254
  100    HE   ARG  12           HE       ARG  12  15.709   4.834   8.448
  101   1HH1  ARG  12          HH21      ARG  12  13.313   7.320   7.641
  102   2HH1  ARG  12          HH22      ARG  12  12.173   6.803   8.852
  103   1HH2  ARG  12          HH11      ARG  12  14.201   4.104   9.959
  104   2HH2  ARG  12          HH12      ARG  12  12.658   4.896  10.142
  105    H    MET  13           H        MET  13  12.905   3.165   4.209
  106    HA   MET  13           HA       MET  13  15.168   1.450   4.037
  107   1HB   MET  13          HB2       MET  13  12.238   0.861   3.484
  108   2HB   MET  13          HB3       MET  13  13.511  -0.355   3.569
  109   1HG   MET  13          HG2       MET  13  13.915   0.047   5.868
  110   2HG   MET  13          HG3       MET  13  13.055   1.582   5.859
  111   1HE   MET  13          HE1       MET  13  11.717  -1.806   4.262
  112   2HE   MET  13          HE2       MET  13  12.658  -2.316   5.690
  113   3HE   MET  13          HE3       MET  13  10.887  -2.488   5.676
  114    H    GLN  14           H        GLN  14  12.844   2.428   1.439
  115    HA   GLN  14           HA       GLN  14  14.087   1.043  -0.701
  116   1HB   GLN  14          HB2       GLN  14  12.758   3.770  -0.711
  117   2HB   GLN  14          HB3       GLN  14  13.202   2.887  -2.167
  118   1HG   GLN  14          HG2       GLN  14  11.622   1.150  -1.759
  119   2HG   GLN  14          HG3       GLN  14  11.325   1.686  -0.109
  120   1HE2  GLN  14          HE22      GLN  14  11.464   4.552  -1.960
  121   2HE2  GLN  14          HE21      GLN  14   9.721   4.697  -2.146
  122    H    GLU  15           H        GLU  15  14.807   4.353   0.554
  123    HA   GLU  15           HA       GLU  15  16.947   4.865  -1.242
  124   1HB   GLU  15          HB2       GLU  15  16.737   5.879   1.629
  125   2HB   GLU  15          HB3       GLU  15  17.733   6.532   0.329
  126   1HG   GLU  15          HG2       GLU  15  14.722   6.686   0.607
  127   2HG   GLU  15          HG3       GLU  15  15.887   7.990   0.481
  128    H    LYS  16           H        LYS  16  17.046   3.306   2.000
  129    HA   LYS  16           HA       LYS  16  19.870   2.922   2.036
  130   1HB   LYS  16          HB2       LYS  16  17.600   1.395   3.361
  131   2HB   LYS  16          HB3       LYS  16  19.311   1.024   3.621
  132   1HG   LYS  16          HG2       LYS  16  19.752   3.284   4.417
  133   2HG   LYS  16          HG3       LYS  16  18.062   3.751   4.157
  134   1HD   LYS  16          HD2       LYS  16  17.293   2.087   5.781
  135   2HD   LYS  16          HD3       LYS  16  18.939   1.477   6.008
  136   1HE   LYS  16          HE2       LYS  16  18.025   4.316   6.685
  137   2HE   LYS  16          HE3       LYS  16  18.189   2.991   7.846
  138   1HZ   LYS  16          HZ1       LYS  16  20.514   2.880   7.296
  139   2HZ   LYS  16          HZ2       LYS  16  20.363   4.142   6.246
  140   3HZ   LYS  16          HZ3       LYS  16  20.102   4.374   7.854
  141    H    GLU  17           H        GLU  17  17.255   0.764   0.798
  142    HA   GLU  17           HA       GLU  17  18.987  -1.353  -0.001
  143   1HB   GLU  17          HB2       GLU  17  16.289  -0.468  -1.091
  144   2HB   GLU  17          HB3       GLU  17  17.124  -1.951  -1.577
  145   1HG   GLU  17          HG2       GLU  17  16.269  -1.306   1.284
  146   2HG   GLU  17          HG3       GLU  17  15.425  -2.380   0.169
  147    H    ARG  18           H        ARG  18  17.726   1.428  -1.887
  148    HA   ARG  18           HA       ARG  18  19.102   0.833  -4.281
  149   1HB   ARG  18          HB2       ARG  18  17.257   2.494  -3.961
  150   2HB   ARG  18          HB3       ARG  18  18.419   3.603  -3.207
  151   1HG   ARG  18          HG2       ARG  18  19.780   3.560  -5.312
  152   2HG   ARG  18          HG3       ARG  18  18.604   2.452  -6.036
  153   1HD   ARG  18          HD2       ARG  18  18.085   5.334  -5.166
  154   2HD   ARG  18          HD3       ARG  18  18.257   4.738  -6.805
  155    HE   ARG  18           HE       ARG  18  16.194   3.666  -6.759
  156   1HH1  ARG  18          HH21      ARG  18  16.785   5.289  -3.666
  157   2HH1  ARG  18          HH22      ARG  18  15.103   5.396  -3.239
  158   1HH2  ARG  18          HH11      ARG  18  14.004   3.721  -6.171
  159   2HH2  ARG  18          HH12      ARG  18  13.506   4.434  -4.661
  160    H    ASN  19           H        ASN  19  20.112   2.778  -1.450
  161    HA   ASN  19           HA       ASN  19  22.583   3.676  -2.464
  162   1HB   ASN  19          HB2       ASN  19  21.593   4.678  -0.488
  163   2HB   ASN  19          HB3       ASN  19  21.690   3.146   0.393
  164   1HD2  ASN  19          HD22      ASN  19  23.868   5.435  -1.401
  165   2HD2  ASN  19          HD21      ASN  19  25.199   5.227  -0.278
  166    H    LYS  20           H        LYS  20  21.928   0.747  -0.392
  167    HA   LYS  20           HA       LYS  20  24.698  -0.029  -0.513
  168   1HB   LYS  20          HB2       LYS  20  24.098  -2.086   0.488
  169   2HB   LYS  20          HB3       LYS  20  23.219  -0.761   1.267
  170   1HG   LYS  20          HG2       LYS  20  21.188  -1.386  -0.003
  171   2HG   LYS  20          HG3       LYS  20  22.061  -2.674  -0.824
  172   1HD   LYS  20          HD2       LYS  20  20.734  -3.634   0.949
  173   2HD   LYS  20          HD3       LYS  20  22.454  -3.848   1.288
  174   1HE   LYS  20          HE2       LYS  20  21.173  -3.244   3.310
  175   2HE   LYS  20          HE3       LYS  20  22.386  -2.015   2.945
  176   1HZ   LYS  20          HZ1       LYS  20  20.635  -0.708   1.933
  177   2HZ   LYS  20          HZ2       LYS  20  19.521  -1.876   2.296
  178   3HZ   LYS  20          HZ3       LYS  20  20.283  -1.057   3.507
  179    H    GLY  21           H        GLY  21  21.890  -0.764  -2.589
  180   1HA   GLY  21          HA2       GLY  21  23.073  -2.788  -4.183
  181   2HA   GLY  21          HA3       GLY  21  21.790  -1.674  -4.686
  182    H    GLN  22           H        GLN  22  22.816   0.726  -4.795
  183    HA   GLN  22           HA       GLN  22  23.650   1.997  -6.481
  184   1HB   GLN  22          HB2       GLN  22  26.017   2.570  -6.043
  185   2HB   GLN  22          HB3       GLN  22  24.975   2.535  -4.625
  186   1HG   GLN  22          HG2       GLN  22  25.896   0.286  -4.010
  187   2HG   GLN  22          HG3       GLN  22  26.973   0.362  -5.410
  188   1HE2  GLN  22          HE22      GLN  22  26.010   2.174  -2.457
  189   2HE2  GLN  22          HE21      GLN  22  27.626   2.801  -2.123
  Start of MODEL    3
    1   1H    PHE   1          H1        PHE   1  -4.324   5.076  -1.247
    2   2H    PHE   1          H2        PHE   1  -2.952   4.174  -1.350
    3   3H    PHE   1          H3        PHE   1  -3.177   5.443  -2.383
    4    HA   PHE   1           HA       PHE   1  -1.615   5.990  -0.668
    5   1HB   PHE   1          HB2       PHE   1  -3.056   7.731  -1.685
    6   2HB   PHE   1          HB3       PHE   1  -4.263   7.468  -0.433
    7    HD1  PHE   1           HD1      PHE   1  -1.055   9.036  -1.268
    8    HD2  PHE   1           HD2      PHE   1  -3.779   8.121   1.952
    9    HE1  PHE   1           HE1      PHE   1   0.094  10.687   0.180
   10    HE2  PHE   1           HE2      PHE   1  -2.606   9.753   3.402
   11    HZ   PHE   1           HZ       PHE   1  -0.677  11.048   2.516
   12    H    VAL   2           H        VAL   2  -0.963   5.480   1.366
   13    HA   VAL   2           HA       VAL   2  -2.638   5.567   3.611
   14    HB   VAL   2           HB       VAL   2  -3.582   3.490   2.976
   15   1HG1  VAL   2          HG11      VAL   2  -0.835   2.210   2.783
   16   2HG1  VAL   2          HG12      VAL   2  -2.406   1.433   2.573
   17   3HG1  VAL   2          HG13      VAL   2  -1.865   2.642   1.404
   18   1HG2  VAL   2          HG21      VAL   2  -3.125   3.797   5.353
   19   2HG2  VAL   2          HG22      VAL   2  -3.065   2.089   4.886
   20   3HG2  VAL   2          HG23      VAL   2  -1.560   2.979   5.181
   21    HA   PRO   3           HA       PRO   3   1.789   6.019   4.636
   22   1HB   PRO   3          HB2       PRO   3   1.587   7.435   6.944
   23   2HB   PRO   3          HB3       PRO   3   1.125   8.144   5.375
   24   1HG   PRO   3          HG2       PRO   3  -0.702   6.854   7.419
   25   2HG   PRO   3          HG3       PRO   3  -0.880   8.462   6.662
   26   1HD   PRO   3          HD2       PRO   3  -2.163   6.235   5.723
   27   2HD   PRO   3          HD3       PRO   3  -1.578   7.512   4.611
   28    H    ILE   4           H        ILE   4   1.139   3.531   4.795
   29    HA   ILE   4           HA       ILE   4   0.216   2.262   6.992
   30    HB   ILE   4           HB       ILE   4   2.203   0.458   6.111
   31   1HG1  ILE   4          HG12      ILE   4   2.117   0.439   3.704
   32   2HG1  ILE   4          HG13      ILE   4   1.251   1.965   3.652
   33   1HG2  ILE   4          HG21      ILE   4  -0.590   0.832   5.003
   34   2HG2  ILE   4          HG22      ILE   4   0.393  -0.643   4.947
   35   3HG2  ILE   4          HG23      ILE   4  -0.164  -0.017   6.506
   36   1HD1  ILE   4          HD11      ILE   4   3.626   2.156   3.074
   37   2HD1  ILE   4          HD12      ILE   4   3.272   3.148   4.477
   38   3HD1  ILE   4          HD13      ILE   4   4.091   1.578   4.689
   39    H    PHE   5           H        PHE   5   3.626   2.796   6.443
   40    HA   PHE   5           HA       PHE   5   4.128   2.513   9.405
   41   1HB   PHE   5          HB2       PHE   5   6.233   2.158   7.278
   42   2HB   PHE   5          HB3       PHE   5   6.262   1.624   8.951
   43    HD1  PHE   5           HD1      PHE   5   3.838   0.054   9.325
   44    HD2  PHE   5           HD2      PHE   5   6.366   0.325   5.836
   45    HE1  PHE   5           HE1      PHE   5   2.976  -2.123   8.522
   46    HE2  PHE   5           HE2      PHE   5   5.488  -1.846   5.035
   47    HZ   PHE   5           HZ       PHE   5   3.786  -3.070   6.367
   48    H    THR   6           H        THR   6   3.337   4.830   7.508
   49    HA   THR   6           HA       THR   6   3.889   6.964   7.080
   50    HB   THR   6           HB       THR   6   6.225   6.776   9.031
   51    HG1  THR   6           HG1      THR   6   4.169   6.190   9.922
   52   1HG2  THR   6          HG21      THR   6   4.571   9.118   8.002
   53   2HG2  THR   6          HG22      THR   6   5.832   9.188   9.246
   54   3HG2  THR   6          HG23      THR   6   6.266   8.772   7.579
   55    H    TYR   7           H        TYR   7   4.472   7.083   5.034
   56    HA   TYR   7           HA       TYR   7   6.049   5.558   3.535
   57   1HB   TYR   7          HB2       TYR   7   5.839   8.563   3.135
   58   2HB   TYR   7          HB3       TYR   7   6.199   7.370   1.892
   59    HD1  TYR   7           HD1      TYR   7   3.599   9.273   3.390
   60    HD2  TYR   7           HD2      TYR   7   4.401   5.441   1.574
   61    HE1  TYR   7           HE1      TYR   7   1.217   9.059   2.789
   62    HE2  TYR   7           HE2      TYR   7   2.001   5.228   0.982
   63    HH   TYR   7           HH       TYR   7  -0.335   7.852   1.617
   64    H    GLY   8           H        GLY   8   7.312   8.329   5.303
   65   1HA   GLY   8          HA2       GLY   8   9.902   8.699   4.491
   66   2HA   GLY   8          HA3       GLY   8   9.389   8.711   6.181
   67    H    GLU   9           H        GLU   9   8.730   5.976   6.571
   68    HA   GLU   9           HA       GLU   9  11.335   4.904   7.114
   69   1HB   GLU   9          HB2       GLU   9   8.620   3.505   7.010
   70   2HB   GLU   9          HB3       GLU   9  10.098   2.856   7.737
   71   1HG   GLU   9          HG2       GLU   9   8.569   5.336   8.662
   72   2HG   GLU   9          HG3       GLU   9   8.622   3.764   9.460
   73    H    LEU  10           H        LEU  10   8.923   4.212   4.564
   74    HA   LEU  10           HA       LEU  10  10.498   2.128   3.320
   75   1HB   LEU  10          HB2       LEU  10   8.277   3.865   2.173
   76   2HB   LEU  10          HB3       LEU  10   8.986   2.452   1.395
   77    HG   LEU  10           HG       LEU  10   7.433   2.437   4.027
   78   1HD1  LEU  10          HD11      LEU  10   6.736   1.462   1.223
   79   2HD1  LEU  10          HD12      LEU  10   5.751   1.213   2.675
   80   3HD1  LEU  10          HD13      LEU  10   6.021   2.857   2.062
   81   1HD2  LEU  10          HD21      LEU  10   9.045   0.622   4.109
   82   2HD2  LEU  10          HD22      LEU  10   7.484  -0.074   3.675
   83   3HD2  LEU  10          HD23      LEU  10   8.710   0.176   2.418
   84    H    GLN  11           H        GLN  11  10.287   5.681   2.945
   85    HA   GLN  11           HA       GLN  11  11.965   5.778   0.615
   86   1HB   GLN  11          HB2       GLN  11  11.877   7.936   2.759
   87   2HB   GLN  11          HB3       GLN  11  12.354   8.069   1.068
   88   1HG   GLN  11          HG2       GLN  11   9.606   7.936   2.254
   89   2HG   GLN  11          HG3       GLN  11  10.260   9.023   1.047
   90   1HE2  GLN  11          HE22      GLN  11   8.550   6.049   1.601
   91   2HE2  GLN  11          HE21      GLN  11   8.336   5.630  -0.101
   92    H    ARG  12           H        ARG  12  12.758   6.050   4.119
   93    HA   ARG  12           HA       ARG  12  15.543   6.232   3.798
   94   1HB   ARG  12          HB2       ARG  12  14.238   6.603   5.902
   95   2HB   ARG  12          HB3       ARG  12  14.108   4.843   6.096
   96   1HG   ARG  12          HG2       ARG  12  16.621   4.701   6.068
   97   2HG   ARG  12          HG3       ARG  12  16.697   6.462   5.917
   98   1HD   ARG  12          HD2       ARG  12  15.569   4.889   8.282
   99   2HD   ARG  12          HD3       ARG  12  17.096   5.747   8.215
  100    HE   ARG  12           HE       ARG  12  16.065   7.828   8.276
  101   1HH1  ARG  12          HH21      ARG  12  13.612   5.264   8.359
  102   2HH1  ARG  12          HH22      ARG  12  12.389   6.289   9.062
  103   1HH2  ARG  12          HH11      ARG  12  14.438   9.165   9.128
  104   2HH2  ARG  12          HH12      ARG  12  12.848   8.526   9.454
  105    H    MET  13           H        MET  13  13.487   3.291   4.157
  106    HA   MET  13           HA       MET  13  15.573   1.372   4.017
  107   1HB   MET  13          HB2       MET  13  12.668   1.265   3.138
  108   2HB   MET  13          HB3       MET  13  13.742  -0.141   3.127
  109   1HG   MET  13          HG2       MET  13  14.015  -0.117   5.483
  110   2HG   MET  13          HG3       MET  13  13.370   1.512   5.646
  111   1HE   MET  13          HE1       MET  13  11.726  -1.401   3.495
  112   2HE   MET  13          HE2       MET  13  12.480  -2.231   4.882
  113   3HE   MET  13          HE3       MET  13  10.707  -2.149   4.744
  114    H    GLN  14           H        GLN  14  13.661   2.861   1.346
  115    HA   GLN  14           HA       GLN  14  14.933   1.483  -0.766
  116   1HB   GLN  14          HB2       GLN  14  12.843   2.852  -0.935
  117   2HB   GLN  14          HB3       GLN  14  13.800   4.318  -0.753
  118   1HG   GLN  14          HG2       GLN  14  13.276   3.953  -3.097
  119   2HG   GLN  14          HG3       GLN  14  15.017   3.841  -2.841
  120   1HE2  GLN  14          HE22      GLN  14  12.266   1.488  -2.473
  121   2HE2  GLN  14          HE21      GLN  14  13.010   0.273  -3.501
  122    H    GLU  15           H        GLU  15  15.746   4.636   0.745
  123    HA   GLU  15           HA       GLU  15  18.011   5.266  -0.829
  124   1HB   GLU  15          HB2       GLU  15  17.330   5.912   2.065
  125   2HB   GLU  15          HB3       GLU  15  18.695   6.623   1.201
  126   1HG   GLU  15          HG2       GLU  15  17.298   7.767  -0.343
  127   2HG   GLU  15          HG3       GLU  15  15.874   6.814   0.071
  128    H    LYS  16           H        LYS  16  17.818   3.416   2.262
  129    HA   LYS  16           HA       LYS  16  20.605   2.847   2.461
  130   1HB   LYS  16          HB2       LYS  16  18.150   1.371   3.478
  131   2HB   LYS  16          HB3       LYS  16  19.815   0.894   3.852
  132   1HG   LYS  16          HG2       LYS  16  20.271   3.001   4.954
  133   2HG   LYS  16          HG3       LYS  16  18.753   3.695   4.402
  134   1HD   LYS  16          HD2       LYS  16  18.592   3.057   6.761
  135   2HD   LYS  16          HD3       LYS  16  17.443   2.162   5.760
  136   1HE   LYS  16          HE2       LYS  16  18.511   0.729   7.474
  137   2HE   LYS  16          HE3       LYS  16  18.857   0.154   5.840
  138   1HZ   LYS  16          HZ1       LYS  16  20.995   1.214   5.989
  139   2HZ   LYS  16          HZ2       LYS  16  20.662   1.776   7.504
  140   3HZ   LYS  16          HZ3       LYS  16  20.794   0.155   7.235
  141    H    GLU  17           H        GLU  17  17.935   0.959   0.960
  142    HA   GLU  17           HA       GLU  17  19.448  -1.239   0.088
  143   1HB   GLU  17          HB2       GLU  17  16.982  -1.063   0.059
  144   2HB   GLU  17          HB3       GLU  17  17.054   0.046  -1.310
  145   1HG   GLU  17          HG2       GLU  17  18.221  -2.779  -1.375
  146   2HG   GLU  17          HG3       GLU  17  16.550  -2.405  -1.813
  147    H    ARG  18           H        ARG  18  18.749   1.841  -1.662
  148    HA   ARG  18           HA       ARG  18  20.390   1.107  -3.873
  149   1HB   ARG  18          HB2       ARG  18  19.430   3.827  -2.942
  150   2HB   ARG  18          HB3       ARG  18  20.221   3.552  -4.497
  151   1HG   ARG  18          HG2       ARG  18  17.644   2.110  -3.714
  152   2HG   ARG  18          HG3       ARG  18  17.668   3.705  -4.456
  153   1HD   ARG  18          HD2       ARG  18  17.274   2.150  -6.179
  154   2HD   ARG  18          HD3       ARG  18  18.898   2.775  -6.430
  155    HE   ARG  18           HE       ARG  18  18.093   0.113  -5.274
  156   1HH1  ARG  18          HH21      ARG  18  20.673   2.005  -6.912
  157   2HH1  ARG  18          HH22      ARG  18  21.795   0.659  -6.779
  158   1HH2  ARG  18          HH11      ARG  18  19.635  -1.573  -5.267
  159   2HH2  ARG  18          HH12      ARG  18  21.203  -1.289  -6.015
  160    H    ASN  19           H        ASN  19  21.154   2.963  -0.953
  161    HA   ASN  19           HA       ASN  19  23.792   3.712  -1.688
  162   1HB   ASN  19          HB2       ASN  19  22.740   4.635   0.295
  163   2HB   ASN  19          HB3       ASN  19  22.578   3.029   1.017
  164   1HD2  ASN  19          HD22      ASN  19  25.203   5.127  -0.374
  165   2HD2  ASN  19          HD21      ASN  19  26.364   4.686   0.866
  166    H    LYS  20           H        LYS  20  22.552   0.694  -0.180
  167    HA   LYS  20           HA       LYS  20  25.129  -0.588  -0.008
  168   1HB   LYS  20          HB2       LYS  20  22.286  -1.666  -0.100
  169   2HB   LYS  20          HB3       LYS  20  23.730  -2.673   0.154
  170   1HG   LYS  20          HG2       LYS  20  24.247  -1.626   2.224
  171   2HG   LYS  20          HG3       LYS  20  23.168  -0.267   1.916
  172   1HD   LYS  20          HD2       LYS  20  22.226  -1.727   3.592
  173   2HD   LYS  20          HD3       LYS  20  21.184  -1.659   2.173
  174   1HE   LYS  20          HE2       LYS  20  23.202  -3.917   2.581
  175   2HE   LYS  20          HE3       LYS  20  21.599  -3.952   3.329
  176   1HZ   LYS  20          HZ1       LYS  20  20.614  -3.777   1.180
  177   2HZ   LYS  20          HZ2       LYS  20  22.085  -3.773   0.448
  178   3HZ   LYS  20          HZ3       LYS  20  21.587  -5.103   1.276
  179    H    GLY  21           H        GLY  21  22.414  -1.172  -2.320
  180   1HA   GLY  21          HA2       GLY  21  24.178  -2.644  -4.152
  181   2HA   GLY  21          HA3       GLY  21  22.446  -2.325  -4.323
  182    H    GLN  22           H        GLN  22  25.330  -0.216  -3.959
  183    HA   GLN  22           HA       GLN  22  24.230   1.822  -5.593
  184   1HB   GLN  22          HB2       GLN  22  25.876   2.231  -3.828
  185   2HB   GLN  22          HB3       GLN  22  27.104   1.320  -4.717
  186   1HG   GLN  22          HG2       GLN  22  27.448   3.728  -4.911
  187   2HG   GLN  22          HG3       GLN  22  27.113   3.039  -6.496
  188   1HE2  GLN  22          HE22      GLN  22  24.892   3.364  -7.403
  189   2HE2  GLN  22          HE21      GLN  22  24.002   4.796  -6.887
  Start of MODEL    4
    1   1H    PHE   1          H1        PHE   1  -2.360   7.423   0.657
    2   2H    PHE   1          H2        PHE   1  -1.504   6.873  -0.642
    3   3H    PHE   1          H3        PHE   1  -1.738   8.489  -0.430
    4    HA   PHE   1           HA       PHE   1   0.460   7.962   0.111
    5   1HB   PHE   1          HB2       PHE   1  -0.717   9.713   1.411
    6   2HB   PHE   1          HB3       PHE   1  -1.186   8.510   2.606
    7    HD1  PHE   1           HD1      PHE   1   0.161   8.364   4.539
    8    HD2  PHE   1           HD2      PHE   1   1.897   9.873   0.894
    9    HE1  PHE   1           HE1      PHE   1   2.212   9.012   5.779
   10    HE2  PHE   1           HE2      PHE   1   3.935  10.531   2.141
   11    HZ   PHE   1           HZ       PHE   1   4.087  10.123   4.589
   12    H    VAL   2           H        VAL   2  -1.843   6.035   1.974
   13    HA   VAL   2           HA       VAL   2  -1.715   4.009   2.989
   14    HB   VAL   2           HB       VAL   2   0.409   3.396   0.906
   15   1HG1  VAL   2          HG11      VAL   2  -0.538   1.120   1.050
   16   2HG1  VAL   2          HG12      VAL   2   0.081   1.620   2.625
   17   3HG1  VAL   2          HG13      VAL   2  -1.666   1.648   2.314
   18   1HG2  VAL   2          HG21      VAL   2  -2.635   3.382   0.684
   19   2HG2  VAL   2          HG22      VAL   2  -1.513   4.410  -0.237
   20   3HG2  VAL   2          HG23      VAL   2  -1.520   2.667  -0.497
   21    HA   PRO   3           HA       PRO   3   2.076   5.212   5.315
   22   1HB   PRO   3          HB2       PRO   3   1.033   5.920   7.740
   23   2HB   PRO   3          HB3       PRO   3   0.885   6.952   6.303
   24   1HG   PRO   3          HG2       PRO   3  -1.149   4.956   7.332
   25   2HG   PRO   3          HG3       PRO   3  -1.418   6.682   6.953
   26   1HD   PRO   3          HD2       PRO   3  -1.971   4.705   5.159
   27   2HD   PRO   3          HD3       PRO   3  -1.302   6.274   4.621
   28    H    ILE   4           H        ILE   4   1.896   2.649   4.776
   29    HA   ILE   4           HA       ILE   4   0.938   0.820   6.542
   30    HB   ILE   4           HB       ILE   4   3.272  -0.468   5.690
   31   1HG1  ILE   4          HG12      ILE   4   3.619   0.029   3.367
   32   2HG1  ILE   4          HG13      ILE   4   2.501   1.379   3.393
   33   1HG2  ILE   4          HG21      ILE   4   1.829  -1.440   3.957
   34   2HG2  ILE   4          HG22      ILE   4   0.995  -1.306   5.512
   35   3HG2  ILE   4          HG23      ILE   4   0.640  -0.145   4.216
   36   1HD1  ILE   4          HD11      ILE   4   5.151   1.214   4.906
   37   2HD1  ILE   4          HD12      ILE   4   4.870   2.070   3.381
   38   3HD1  ILE   4          HD13      ILE   4   4.104   2.652   4.843
   39    H    PHE   5           H        PHE   5   4.187   2.106   6.731
   40    HA   PHE   5           HA       PHE   5   4.004   1.904   9.677
   41   1HB   PHE   5          HB2       PHE   5   6.371   1.256   9.871
   42   2HB   PHE   5          HB3       PHE   5   5.350  -0.012   9.223
   43    HD1  PHE   5           HD1      PHE   5   8.158   2.262   8.517
   44    HD2  PHE   5           HD2      PHE   5   5.593  -0.808   6.909
   45    HE1  PHE   5           HE1      PHE   5   9.807   1.822   6.719
   46    HE2  PHE   5           HE2      PHE   5   7.255  -1.254   5.123
   47    HZ   PHE   5           HZ       PHE   5   9.378   0.036   5.047
   48    H    THR   6           H        THR   6   3.328   3.866   7.882
   49    HA   THR   6           HA       THR   6   3.566   6.107   7.555
   50    HB   THR   6           HB       THR   6   6.377   6.178   8.685
   51    HG1  THR   6           HG1      THR   6   5.202   5.275  10.268
   52   1HG2  THR   6          HG21      THR   6   5.753   8.482   9.225
   53   2HG2  THR   6          HG22      THR   6   5.548   8.187   7.487
   54   3HG2  THR   6          HG23      THR   6   4.128   8.228   8.561
   55    H    TYR   7           H        TYR   7   3.661   6.328   5.391
   56    HA   TYR   7           HA       TYR   7   5.144   4.700   3.721
   57   1HB   TYR   7          HB2       TYR   7   3.070   5.934   3.149
   58   2HB   TYR   7          HB3       TYR   7   3.992   7.430   3.079
   59    HD1  TYR   7           HD1      TYR   7   3.627   4.047   1.533
   60    HD2  TYR   7           HD2      TYR   7   5.106   8.069   1.062
   61    HE1  TYR   7           HE1      TYR   7   4.288   3.535  -0.806
   62    HE2  TYR   7           HE2      TYR   7   5.739   7.561  -1.279
   63    HH   TYR   7           HH       TYR   7   6.595   5.468  -2.390
   64    H    GLY   8           H        GLY   8   5.895   7.990   4.760
   65   1HA   GLY   8          HA2       GLY   8   8.203   8.621   3.341
   66   2HA   GLY   8          HA3       GLY   8   7.921   9.052   5.035
   67    H    GLU   9           H        GLU   9   7.903   6.412   6.192
   68    HA   GLU   9           HA       GLU   9  10.777   6.062   6.418
   69   1HB   GLU   9          HB2       GLU   9   8.472   4.486   7.628
   70   2HB   GLU   9          HB3       GLU   9  10.182   4.298   8.036
   71   1HG   GLU   9          HG2       GLU   9   8.536   6.842   8.429
   72   2HG   GLU   9          HG3       GLU   9   9.019   5.706   9.693
   73    H    LEU  10           H        LEU  10   8.125   4.405   4.699
   74    HA   LEU  10           HA       LEU  10   9.792   2.180   3.878
   75   1HB   LEU  10          HB2       LEU  10   7.404   1.933   3.816
   76   2HB   LEU  10          HB3       LEU  10   7.222   3.307   2.733
   77    HG   LEU  10           HG       LEU  10   8.422   2.084   0.943
   78   1HD1  LEU  10          HD11      LEU  10   9.823   0.538   2.299
   79   2HD1  LEU  10          HD12      LEU  10   8.350  -0.287   2.859
   80   3HD1  LEU  10          HD13      LEU  10   8.814  -0.340   1.149
   81   1HD2  LEU  10          HD21      LEU  10   5.957   2.010   1.121
   82   2HD2  LEU  10          HD22      LEU  10   6.638   0.542   0.398
   83   3HD2  LEU  10          HD23      LEU  10   6.090   0.518   2.085
   84    H    GLN  11           H        GLN  11   9.251   5.501   2.681
   85    HA   GLN  11           HA       GLN  11  10.745   5.061   0.213
   86   1HB   GLN  11          HB2       GLN  11  10.305   7.726   1.566
   87   2HB   GLN  11          HB3       GLN  11  10.745   7.380  -0.105
   88   1HG   GLN  11          HG2       GLN  11   8.074   7.215   1.223
   89   2HG   GLN  11          HG3       GLN  11   8.513   7.841  -0.353
   90   1HE2  GLN  11          HE22      GLN  11   7.440   5.046   1.438
   91   2HE2  GLN  11          HE21      GLN  11   7.200   3.991   0.049
   92    H    ARG  12           H        ARG  12  11.590   6.367   3.421
   93    HA   ARG  12           HA       ARG  12  14.348   6.750   2.986
   94   1HB   ARG  12          HB2       ARG  12  13.082   7.480   4.971
   95   2HB   ARG  12          HB3       ARG  12  12.919   5.797   5.501
   96   1HG   ARG  12          HG2       ARG  12  15.335   5.571   5.729
   97   2HG   ARG  12          HG3       ARG  12  15.584   7.213   5.097
   98   1HD   ARG  12          HD2       ARG  12  13.989   6.505   7.600
   99   2HD   ARG  12          HD3       ARG  12  15.681   7.041   7.623
  100    HE   ARG  12           HE       ARG  12  14.462   9.025   6.201
  101   1HH1  ARG  12          HH21      ARG  12  13.724   7.584   9.350
  102   2HH1  ARG  12          HH22      ARG  12  13.124   9.063  10.036
  103   1HH2  ARG  12          HH11      ARG  12  13.634  10.947   7.080
  104   2HH2  ARG  12          HH12      ARG  12  13.052  10.998   8.722
  105    H    MET  13           H        MET  13  12.620   3.788   4.111
  106    HA   MET  13           HA       MET  13  14.846   2.105   4.329
  107   1HB   MET  13          HB2       MET  13  12.595   1.564   5.149
  108   2HB   MET  13          HB3       MET  13  11.996   1.409   3.489
  109   1HG   MET  13          HG2       MET  13  13.513  -0.470   3.076
  110   2HG   MET  13          HG3       MET  13  14.185  -0.325   4.704
  111   1HE   MET  13          HE1       MET  13  12.963  -1.124   6.882
  112   2HE   MET  13          HE2       MET  13  11.666   0.062   6.593
  113   3HE   MET  13          HE3       MET  13  11.259  -1.631   6.930
  114    H    GLN  14           H        GLN  14  12.678   2.512   1.450
  115    HA   GLN  14           HA       GLN  14  14.160   0.923  -0.348
  116   1HB   GLN  14          HB2       GLN  14  12.544   3.452  -0.761
  117   2HB   GLN  14          HB3       GLN  14  13.270   2.562  -2.103
  118   1HG   GLN  14          HG2       GLN  14  11.976   0.606  -1.697
  119   2HG   GLN  14          HG3       GLN  14  11.418   1.184  -0.120
  120   1HE2  GLN  14          HE22      GLN  14  10.124   3.154  -0.078
  121   2HE2  GLN  14          HE21      GLN  14   9.122   3.626  -1.462
  122    H    GLU  15           H        GLU  15  14.587   4.410   0.432
  123    HA   GLU  15           HA       GLU  15  16.633   4.987  -1.370
  124   1HB   GLU  15          HB2       GLU  15  15.343   6.618  -0.057
  125   2HB   GLU  15          HB3       GLU  15  16.221   6.178   1.409
  126   1HG   GLU  15          HG2       GLU  15  17.589   7.236  -1.094
  127   2HG   GLU  15          HG3       GLU  15  16.962   8.280   0.181
  128    H    LYS  16           H        LYS  16  16.923   3.746   2.011
  129    HA   LYS  16           HA       LYS  16  19.805   3.535   1.896
  130   1HB   LYS  16          HB2       LYS  16  17.675   2.334   3.701
  131   2HB   LYS  16          HB3       LYS  16  19.333   1.734   3.731
  132   1HG   LYS  16          HG2       LYS  16  19.281   3.329   5.428
  133   2HG   LYS  16          HG3       LYS  16  20.163   4.075   4.093
  134   1HD   LYS  16          HD2       LYS  16  17.965   5.256   3.465
  135   2HD   LYS  16          HD3       LYS  16  17.265   4.540   4.920
  136   1HE   LYS  16          HE2       LYS  16  17.939   6.803   5.439
  137   2HE   LYS  16          HE3       LYS  16  19.071   5.723   6.270
  138   1HZ   LYS  16          HZ1       LYS  16  20.617   6.113   4.475
  139   2HZ   LYS  16          HZ2       LYS  16  19.523   7.063   3.688
  140   3HZ   LYS  16          HZ3       LYS  16  20.148   7.548   5.136
  141    H    GLU  17           H        GLU  17  17.184   1.164   1.246
  142    HA   GLU  17           HA       GLU  17  18.846  -1.047   0.853
  143   1HB   GLU  17          HB2       GLU  17  16.133  -0.386  -0.327
  144   2HB   GLU  17          HB3       GLU  17  16.943  -1.928  -0.611
  145   1HG   GLU  17          HG2       GLU  17  16.301  -0.863   2.176
  146   2HG   GLU  17          HG3       GLU  17  15.309  -2.016   1.278
  147    H    ARG  18           H        ARG  18  18.110   1.541  -1.470
  148    HA   ARG  18           HA       ARG  18  19.162   0.559  -3.841
  149   1HB   ARG  18          HB2       ARG  18  19.924   3.214  -2.576
  150   2HB   ARG  18          HB3       ARG  18  20.113   2.783  -4.274
  151   1HG   ARG  18          HG2       ARG  18  17.633   2.497  -4.482
  152   2HG   ARG  18          HG3       ARG  18  17.460   3.086  -2.821
  153   1HD   ARG  18          HD2       ARG  18  18.688   4.596  -5.136
  154   2HD   ARG  18          HD3       ARG  18  17.109   4.924  -4.387
  155    HE   ARG  18           HE       ARG  18  18.869   5.072  -2.269
  156   1HH1  ARG  18          HH21      ARG  18  18.609   6.706  -5.397
  157   2HH1  ARG  18          HH22      ARG  18  19.536   8.100  -4.912
  158   1HH2  ARG  18          HH11      ARG  18  20.027   6.926  -1.598
  159   2HH2  ARG  18          HH12      ARG  18  20.373   8.217  -2.719
  160    H    ASN  19           H        ASN  19  21.024   1.375  -0.887
  161    HA   ASN  19           HA       ASN  19  23.568   1.402  -2.063
  162   1HB   ASN  19          HB2       ASN  19  23.067   2.243   0.200
  163   2HB   ASN  19          HB3       ASN  19  22.860   0.573   0.766
  164   1HD2  ASN  19          HD22      ASN  19  24.690  -0.038   1.919
  165   2HD2  ASN  19          HD21      ASN  19  26.329   0.344   1.422
  166    H    LYS  20           H        LYS  20  21.524  -1.389  -1.280
  167    HA   LYS  20           HA       LYS  20  23.710  -3.332  -1.321
  168   1HB   LYS  20          HB2       LYS  20  20.688  -3.581  -1.595
  169   2HB   LYS  20          HB3       LYS  20  21.797  -4.935  -1.789
  170   1HG   LYS  20          HG2       LYS  20  20.936  -4.979   0.426
  171   2HG   LYS  20          HG3       LYS  20  22.674  -4.649   0.479
  172   1HD   LYS  20          HD2       LYS  20  22.267  -2.301   1.016
  173   2HD   LYS  20          HD3       LYS  20  20.545  -2.479   0.632
  174   1HE   LYS  20          HE2       LYS  20  20.866  -2.414   3.053
  175   2HE   LYS  20          HE3       LYS  20  20.240  -3.992   2.557
  176   1HZ   LYS  20          HZ1       LYS  20  22.463  -4.853   2.700
  177   2HZ   LYS  20          HZ2       LYS  20  23.056  -3.380   3.141
  178   3HZ   LYS  20          HZ3       LYS  20  22.015  -4.182   4.136
  179    H    GLY  21           H        GLY  21  21.715  -1.657  -3.711
  180   1HA   GLY  21          HA2       GLY  21  22.494  -3.368  -5.969
  181   2HA   GLY  21          HA3       GLY  21  21.618  -1.828  -6.010
  182    H    GLN  22           H        GLN  22  23.330  -0.202  -4.533
  183    HA   GLN  22           HA       GLN  22  25.181   0.721  -6.416
  184   1HB   GLN  22          HB2       GLN  22  24.275   1.989  -4.474
  185   2HB   GLN  22          HB3       GLN  22  25.322   1.038  -3.394
  186   1HG   GLN  22          HG2       GLN  22  27.320   1.977  -4.357
  187   2HG   GLN  22          HG3       GLN  22  26.402   2.709  -5.684
  188   1HE2  GLN  22          HE22      GLN  22  26.029   2.719  -2.014
  189   2HE2  GLN  22          HE21      GLN  22  25.925   4.465  -1.967
  Start of MODEL    5
    1   1H    PHE   1          H1        PHE   1  -5.075   5.425  -0.055
    2   2H    PHE   1          H2        PHE   1  -4.242   6.366  -1.132
    3   3H    PHE   1          H3        PHE   1  -4.859   7.021   0.260
    4    HA   PHE   1           HA       PHE   1  -2.787   4.977   0.157
    5   1HB   PHE   1          HB2       PHE   1  -1.958   7.120  -0.697
    6   2HB   PHE   1          HB3       PHE   1  -2.601   7.961   0.711
    7    HD1  PHE   1           HD1      PHE   1  -1.165   8.357   2.555
    8    HD2  PHE   1           HD2      PHE   1  -0.229   5.170  -0.199
    9    HE1  PHE   1           HE1      PHE   1   0.929   7.895   3.796
   10    HE2  PHE   1           HE2      PHE   1   1.833   4.674   1.087
   11    HZ   PHE   1           HZ       PHE   1   2.395   6.008   3.103
   12    H    VAL   2           H        VAL   2  -1.775   4.584   2.267
   13    HA   VAL   2           HA       VAL   2  -3.286   5.408   4.642
   14    HB   VAL   2           HB       VAL   2  -4.312   3.319   4.017
   15   1HG1  VAL   2          HG11      VAL   2  -2.529   2.329   2.595
   16   2HG1  VAL   2          HG12      VAL   2  -1.586   1.981   4.060
   17   3HG1  VAL   2          HG13      VAL   2  -3.153   1.205   3.806
   18   1HG2  VAL   2          HG21      VAL   2  -2.400   2.887   6.348
   19   2HG2  VAL   2          HG22      VAL   2  -3.992   3.686   6.405
   20   3HG2  VAL   2          HG23      VAL   2  -3.878   1.967   6.017
   21    HA   PRO   3           HA       PRO   3   1.060   5.984   5.444
   22   1HB   PRO   3          HB2       PRO   3   1.038   6.947   7.998
   23   2HB   PRO   3          HB3       PRO   3   0.282   7.817   6.642
   24   1HG   PRO   3          HG2       PRO   3  -1.075   5.940   8.600
   25   2HG   PRO   3          HG3       PRO   3  -1.538   7.625   8.213
   26   1HD   PRO   3          HD2       PRO   3  -2.720   5.525   6.976
   27   2HD   PRO   3          HD3       PRO   3  -2.315   7.006   6.059
   28    H    ILE   4           H        ILE   4   0.642   3.333   5.320
   29    HA   ILE   4           HA       ILE   4   0.782   1.724   7.541
   30    HB   ILE   4           HB       ILE   4   2.459   0.336   5.832
   31   1HG1  ILE   4          HG12      ILE   4   1.693   0.558   3.572
   32   2HG1  ILE   4          HG13      ILE   4   0.672   1.931   3.964
   33   1HG2  ILE   4          HG21      ILE   4  -0.564   0.561   5.717
   34   2HG2  ILE   4          HG22      ILE   4   0.405  -0.777   5.062
   35   3HG2  ILE   4          HG23      ILE   4   0.390  -0.470   6.804
   36   1HD1  ILE   4          HD11      ILE   4   3.710   1.957   4.107
   37   2HD1  ILE   4          HD12      ILE   4   2.737   2.489   2.726
   38   3HD1  ILE   4          HD13      ILE   4   2.612   3.368   4.241
   39    H    PHE   5           H        PHE   5   3.592   2.976   5.861
   40    HA   PHE   5           HA       PHE   5   5.109   2.973   8.425
   41   1HB   PHE   5          HB2       PHE   5   6.521   2.553   5.794
   42   2HB   PHE   5          HB3       PHE   5   7.048   2.180   7.441
   43    HD1  PHE   5           HD1      PHE   5   5.994   0.679   4.455
   44    HD2  PHE   5           HD2      PHE   5   5.451   0.417   8.727
   45    HE1  PHE   5           HE1      PHE   5   5.181  -1.647   4.212
   46    HE2  PHE   5           HE2      PHE   5   4.646  -1.912   8.476
   47    HZ   PHE   5           HZ       PHE   5   4.502  -2.947   6.218
   48    H    THR   6           H        THR   6   3.343   4.850   7.418
   49    HA   THR   6           HA       THR   6   3.085   7.031   6.923
   50    HB   THR   6           HB       THR   6   5.858   7.539   8.025
   51    HG1  THR   6           HG1      THR   6   5.264   6.005   9.420
   52   1HG2  THR   6          HG21      THR   6   4.635   9.260   9.310
   53   2HG2  THR   6          HG22      THR   6   4.324   9.472   7.579
   54   3HG2  THR   6          HG23      THR   6   3.098   8.712   8.612
   55    H    TYR   7           H        TYR   7   4.566   5.464   4.836
   56    HA   TYR   7           HA       TYR   7   5.479   5.642   2.809
   57   1HB   TYR   7          HB2       TYR   7   4.031   7.512   2.260
   58   2HB   TYR   7          HB3       TYR   7   5.099   8.652   3.064
   59    HD1  TYR   7           HD1      TYR   7   7.004   9.570   1.955
   60    HD2  TYR   7           HD2      TYR   7   4.933   6.196   0.246
   61    HE1  TYR   7           HE1      TYR   7   8.515   9.633  -0.009
   62    HE2  TYR   7           HE2      TYR   7   6.450   6.253  -1.706
   63    HH   TYR   7           HH       TYR   7   8.216   7.341  -2.721
   64    H    GLY   8           H        GLY   8   6.728   8.300   4.744
   65   1HA   GLY   8          HA2       GLY   8   9.264   8.652   3.812
   66   2HA   GLY   8          HA3       GLY   8   8.817   8.865   5.510
   67    H    GLU   9           H        GLU   9   8.277   6.092   6.184
   68    HA   GLU   9           HA       GLU   9  11.009   5.307   6.758
   69   1HB   GLU   9          HB2       GLU   9   8.443   3.751   7.008
   70   2HB   GLU   9          HB3       GLU   9   9.955   3.357   7.816
   71   1HG   GLU   9          HG2       GLU   9   9.792   5.240   9.285
   72   2HG   GLU   9          HG3       GLU   9   8.537   6.022   8.321
   73    H    LEU  10           H        LEU  10   8.531   4.388   4.381
   74    HA   LEU  10           HA       LEU  10   9.898   2.025   3.409
   75   1HB   LEU  10          HB2       LEU  10   7.330   3.002   3.224
   76   2HB   LEU  10          HB3       LEU  10   7.951   3.451   1.637
   77    HG   LEU  10           HG       LEU  10   7.939   0.661   2.886
   78   1HD1  LEU  10          HD11      LEU  10   6.202   0.171   1.218
   79   2HD1  LEU  10          HD12      LEU  10   5.695   1.536   2.229
   80   3HD1  LEU  10          HD13      LEU  10   6.303   1.828   0.589
   81   1HD2  LEU  10          HD21      LEU  10   8.754   1.510   0.075
   82   2HD2  LEU  10          HD22      LEU  10   9.845   0.856   1.322
   83   3HD2  LEU  10          HD23      LEU  10   8.573  -0.159   0.638
   84    H    GLN  11           H        GLN  11   9.603   5.471   2.481
   85    HA   GLN  11           HA       GLN  11  11.294   5.378   0.184
   86   1HB   GLN  11          HB2       GLN  11   9.908   7.288   0.656
   87   2HB   GLN  11          HB3       GLN  11  10.766   7.623   2.162
   88   1HG   GLN  11          HG2       GLN  11  11.437   9.136   0.306
   89   2HG   GLN  11          HG3       GLN  11  12.786   8.228   0.988
   90   1HE2  GLN  11          HE22      GLN  11  10.300   7.775  -1.677
   91   2HE2  GLN  11          HE21      GLN  11  11.503   7.169  -2.802
   92    H    ARG  12           H        ARG  12  12.102   6.015   3.648
   93    HA   ARG  12           HA       ARG  12  14.877   6.232   3.291
   94   1HB   ARG  12          HB2       ARG  12  13.602   6.797   5.343
   95   2HB   ARG  12          HB3       ARG  12  13.441   5.070   5.713
   96   1HG   ARG  12          HG2       ARG  12  15.915   4.856   5.793
   97   2HG   ARG  12          HG3       ARG  12  16.081   6.563   5.365
   98   1HD   ARG  12          HD2       ARG  12  14.758   5.432   7.875
   99   2HD   ARG  12          HD3       ARG  12  16.354   6.174   7.823
  100    HE   ARG  12           HE       ARG  12  13.779   7.484   7.941
  101   1HH1  ARG  12          HH21      ARG  12  17.065   7.917   6.721
  102   2HH1  ARG  12          HH22      ARG  12  17.002   9.657   6.748
  103   1HH2  ARG  12          HH11      ARG  12  13.674   9.753   7.979
  104   2HH2  ARG  12          HH12      ARG  12  15.035  10.718   7.476
  105    H    MET  13           H        MET  13  12.899   3.272   3.904
  106    HA   MET  13           HA       MET  13  15.051   1.465   3.954
  107   1HB   MET  13          HB2       MET  13  12.673   0.966   4.583
  108   2HB   MET  13          HB3       MET  13  12.245   0.953   2.865
  109   1HG   MET  13          HG2       MET  13  12.566  -1.311   3.675
  110   2HG   MET  13          HG3       MET  13  13.827  -0.927   2.503
  111   1HE   MET  13          HE1       MET  13  13.897  -3.463   4.387
  112   2HE   MET  13          HE2       MET  13  15.200  -3.063   3.239
  113   3HE   MET  13          HE3       MET  13  15.591  -3.440   4.933
  114    H    GLN  14           H        GLN  14  13.065   2.504   1.125
  115    HA   GLN  14           HA       GLN  14  14.515   1.055  -0.845
  116   1HB   GLN  14          HB2       GLN  14  12.968   3.658  -0.960
  117   2HB   GLN  14          HB3       GLN  14  13.671   2.904  -2.395
  118   1HG   GLN  14          HG2       GLN  14  12.335   0.953  -2.218
  119   2HG   GLN  14          HG3       GLN  14  11.837   1.319  -0.562
  120   1HE2  GLN  14          HE22      GLN  14  10.621   3.348  -0.231
  121   2HE2  GLN  14          HE21      GLN  14   9.440   3.826  -1.460
  122    H    GLU  15           H        GLU  15  15.074   4.347   0.435
  123    HA   GLU  15           HA       GLU  15  17.261   5.099  -1.138
  124   1HB   GLU  15          HB2       GLU  15  15.983   6.537   0.442
  125   2HB   GLU  15          HB3       GLU  15  16.774   5.727   1.799
  126   1HG   GLU  15          HG2       GLU  15  18.987   6.521   0.968
  127   2HG   GLU  15          HG3       GLU  15  18.144   7.355  -0.359
  128    H    LYS  16           H        LYS  16  17.273   3.400   2.046
  129    HA   LYS  16           HA       LYS  16  20.078   2.976   2.214
  130   1HB   LYS  16          HB2       LYS  16  17.723   1.401   3.325
  131   2HB   LYS  16          HB3       LYS  16  19.416   1.053   3.714
  132   1HG   LYS  16          HG2       LYS  16  19.733   3.175   4.776
  133   2HG   LYS  16          HG3       LYS  16  18.224   3.821   4.127
  134   1HD   LYS  16          HD2       LYS  16  17.969   3.273   6.491
  135   2HD   LYS  16          HD3       LYS  16  16.892   2.293   5.486
  136   1HE   LYS  16          HE2       LYS  16  18.410   0.357   5.688
  137   2HE   LYS  16          HE3       LYS  16  19.581   1.343   6.590
  138   1HZ   LYS  16          HZ1       LYS  16  17.930   1.598   8.298
  139   2HZ   LYS  16          HZ2       LYS  16  16.849   0.689   7.448
  140   3HZ   LYS  16          HZ3       LYS  16  18.234   0.003   8.019
  141    H    GLU  17           H        GLU  17  17.504   0.778   0.967
  142    HA   GLU  17           HA       GLU  17  19.179  -1.348   0.205
  143   1HB   GLU  17          HB2       GLU  17  16.553  -0.350  -0.955
  144   2HB   GLU  17          HB3       GLU  17  17.321  -1.865  -1.453
  145   1HG   GLU  17          HG2       GLU  17  17.217  -2.772   0.790
  146   2HG   GLU  17          HG3       GLU  17  16.605  -1.257   1.454
  147    H    ARG  18           H        ARG  18  18.073   1.409  -1.879
  148    HA   ARG  18           HA       ARG  18  19.647   0.477  -4.075
  149   1HB   ARG  18          HB2       ARG  18  19.027   2.369  -5.273
  150   2HB   ARG  18          HB3       ARG  18  17.652   1.883  -4.293
  151   1HG   ARG  18          HG2       ARG  18  17.578   4.164  -4.112
  152   2HG   ARG  18          HG3       ARG  18  18.429   3.735  -2.634
  153   1HD   ARG  18          HD2       ARG  18  20.603   4.398  -3.725
  154   2HD   ARG  18          HD3       ARG  18  19.754   4.604  -5.249
  155    HE   ARG  18           HE       ARG  18  18.980   6.638  -4.605
  156   1HH1  ARG  18          HH11      ARG  18  20.021   5.030  -1.604
  157   2HH1  ARG  18          HH12      ARG  18  20.528   6.513  -0.854
  158   1HH2  ARG  18          HH21      ARG  18  19.363   8.572  -3.485
  159   2HH2  ARG  18          HH22      ARG  18  19.952   8.553  -1.845
  160    H    ASN  19           H        ASN  19  20.460   2.602  -1.325
  161    HA   ASN  19           HA       ASN  19  22.976   3.475  -2.408
  162   1HB   ASN  19          HB2       ASN  19  21.736   4.351  -0.324
  163   2HB   ASN  19          HB3       ASN  19  22.445   2.995   0.546
  164   1HD2  ASN  19          HD22      ASN  19  25.123   3.127  -0.944
  165   2HD2  ASN  19          HD21      ASN  19  25.827   4.608  -0.330
  166    H    LYS  20           H        LYS  20  21.977   0.625  -0.474
  167    HA   LYS  20           HA       LYS  20  24.632  -0.456  -0.171
  168   1HB   LYS  20          HB2       LYS  20  21.858  -1.680   0.059
  169   2HB   LYS  20          HB3       LYS  20  23.359  -2.552   0.413
  170   1HG   LYS  20          HG2       LYS  20  23.933  -1.049   2.209
  171   2HG   LYS  20          HG3       LYS  20  22.669   0.088   1.763
  172   1HD   LYS  20          HD2       LYS  20  22.001  -1.202   3.735
  173   2HD   LYS  20          HD3       LYS  20  20.908  -1.463   2.373
  174   1HE   LYS  20          HE2       LYS  20  21.403  -3.562   3.592
  175   2HE   LYS  20          HE3       LYS  20  21.920  -3.651   1.906
  176   1HZ   LYS  20          HZ1       LYS  20  24.149  -3.191   2.629
  177   2HZ   LYS  20          HZ2       LYS  20  23.667  -3.079   4.201
  178   3HZ   LYS  20          HZ3       LYS  20  23.560  -4.518   3.406
  179    H    GLY  21           H        GLY  21  22.063  -0.896  -2.601
  180   1HA   GLY  21          HA2       GLY  21  23.232  -3.133  -3.931
  181   2HA   GLY  21          HA3       GLY  21  21.964  -2.068  -4.544
  182    H    GLN  22           H        GLN  22  25.466  -1.773  -3.830
  183    HA   GLN  22           HA       GLN  22  26.017  -0.824  -6.621
  184   1HB   GLN  22          HB2       GLN  22  26.883   0.229  -3.940
  185   2HB   GLN  22          HB3       GLN  22  28.154   0.048  -5.148
  186   1HG   GLN  22          HG2       GLN  22  27.155   2.314  -5.161
  187   2HG   GLN  22          HG3       GLN  22  27.073   1.476  -6.715
  188   1HE2  GLN  22          HE22      GLN  22  24.955   1.556  -3.713
  189   2HE2  GLN  22          HE21      GLN  22  23.499   1.810  -4.649
  Start of MODEL    6
    1   1H    PHE   1          H1        PHE   1  -2.316   9.015   0.596
    2   2H    PHE   1          H2        PHE   1  -0.905   9.534  -0.093
    3   3H    PHE   1          H3        PHE   1  -1.065   9.481   1.553
    4    HA   PHE   1           HA       PHE   1  -1.126   7.156  -0.201
    5   1HB   PHE   1          HB2       PHE   1   1.072   6.587   0.809
    6   2HB   PHE   1          HB3       PHE   1   1.103   8.025  -0.199
    7    HD1  PHE   1           HD1      PHE   1   1.860  10.128   0.671
    8    HD2  PHE   1           HD2      PHE   1   1.071   6.852   3.354
    9    HE1  PHE   1           HE1      PHE   1   2.867  11.409   2.538
   10    HE2  PHE   1           HE2      PHE   1   2.001   8.171   5.237
   11    HZ   PHE   1           HZ       PHE   1   2.926  10.438   4.828
   12    H    VAL   2           H        VAL   2  -1.256   5.125   0.909
   13    HA   VAL   2           HA       VAL   2  -2.706   5.180   3.428
   14    HB   VAL   2           HB       VAL   2  -3.326   3.538   1.852
   15   1HG1  VAL   2          HG11      VAL   2  -1.222   3.162   0.596
   16   2HG1  VAL   2          HG12      VAL   2  -0.551   2.298   1.993
   17   3HG1  VAL   2          HG13      VAL   2  -1.962   1.659   1.146
   18   1HG2  VAL   2          HG21      VAL   2  -3.240   1.529   3.242
   19   2HG2  VAL   2          HG22      VAL   2  -1.909   2.208   4.195
   20   3HG2  VAL   2          HG23      VAL   2  -3.515   2.967   4.236
   21    HA   PRO   3           HA       PRO   3   1.294   5.634   5.352
   22   1HB   PRO   3          HB2       PRO   3   0.603   6.108   7.937
   23   2HB   PRO   3          HB3       PRO   3   0.098   7.191   6.615
   24   1HG   PRO   3          HG2       PRO   3  -1.512   4.914   7.811
   25   2HG   PRO   3          HG3       PRO   3  -2.004   6.629   7.658
   26   1HD   PRO   3          HD2       PRO   3  -2.698   4.792   5.777
   27   2HD   PRO   3          HD3       PRO   3  -2.218   6.451   5.308
   28    H    ILE   4           H        ILE   4   0.936   2.976   4.682
   29    HA   ILE   4           HA       ILE   4   0.725   1.100   6.707
   30    HB   ILE   4           HB       ILE   4   2.577  -0.177   5.166
   31   1HG1  ILE   4          HG12      ILE   4   2.222   0.343   2.825
   32   2HG1  ILE   4          HG13      ILE   4   1.295   1.783   3.220
   33   1HG2  ILE   4          HG21      ILE   4  -0.339   0.304   4.471
   34   2HG2  ILE   4          HG22      ILE   4   0.660  -1.049   3.901
   35   3HG2  ILE   4          HG23      ILE   4   0.291  -0.894   5.623
   36   1HD1  ILE   4          HD11      ILE   4   3.258   2.959   3.910
   37   2HD1  ILE   4          HD12      ILE   4   4.224   1.446   3.945
   38   3HD1  ILE   4          HD13      ILE   4   3.655   2.126   2.414
   39    H    PHE   5           H        PHE   5   3.741   2.555   5.669
   40    HA   PHE   5           HA       PHE   5   4.786   2.326   8.438
   41   1HB   PHE   5          HB2       PHE   5   6.587   2.101   6.015
   42   2HB   PHE   5          HB3       PHE   5   6.952   1.766   7.709
   43    HD1  PHE   5           HD1      PHE   5   6.309   0.202   4.612
   44    HD2  PHE   5           HD2      PHE   5   5.346  -0.124   8.807
   45    HE1  PHE   5           HE1      PHE   5   5.704  -2.168   4.290
   46    HE2  PHE   5           HE2      PHE   5   4.748  -2.503   8.474
   47    HZ   PHE   5           HZ       PHE   5   4.922  -3.531   6.214
   48    H    THR   6           H        THR   6   3.159   4.231   7.432
   49    HA   THR   6           HA       THR   6   2.883   6.441   7.149
   50    HB   THR   6           HB       THR   6   5.619   6.957   8.330
   51    HG1  THR   6           HG1      THR   6   5.055   5.355   9.648
   52   1HG2  THR   6          HG21      THR   6   4.326   8.576   9.673
   53   2HG2  THR   6          HG22      THR   6   4.033   8.864   7.949
   54   3HG2  THR   6          HG23      THR   6   2.816   8.018   8.925
   55    H    TYR   7           H        TYR   7   4.448   5.001   5.026
   56    HA   TYR   7           HA       TYR   7   5.419   5.254   3.047
   57   1HB   TYR   7          HB2       TYR   7   3.922   6.948   2.393
   58   2HB   TYR   7          HB3       TYR   7   4.706   8.172   3.391
   59    HD1  TYR   7           HD1      TYR   7   5.607   5.790   0.601
   60    HD2  TYR   7           HD2      TYR   7   6.119   9.702   2.351
   61    HE1  TYR   7           HE1      TYR   7   7.203   6.394  -1.197
   62    HE2  TYR   7           HE2      TYR   7   7.689  10.305   0.547
   63    HH   TYR   7           HH       TYR   7   8.700   9.626  -1.408
   64    H    GLY   8           H        GLY   8   6.531   7.912   5.077
   65   1HA   GLY   8          HA2       GLY   8   9.067   8.358   4.103
   66   2HA   GLY   8          HA3       GLY   8   8.633   8.549   5.811
   67    H    GLU   9           H        GLU   9   8.190   5.880   6.587
   68    HA   GLU   9           HA       GLU   9  10.895   5.060   7.091
   69   1HB   GLU   9          HB2       GLU   9   8.367   3.428   7.375
   70   2HB   GLU   9          HB3       GLU   9   9.892   3.137   8.196
   71   1HG   GLU   9          HG2       GLU   9   9.629   5.088   9.585
   72   2HG   GLU   9          HG3       GLU   9   8.269   5.696   8.634
   73    H    LEU  10           H        LEU  10   8.347   3.982   4.838
   74    HA   LEU  10           HA       LEU  10   9.724   1.655   3.886
   75   1HB   LEU  10          HB2       LEU  10   7.280   2.062   3.707
   76   2HB   LEU  10          HB3       LEU  10   7.552   3.328   2.526
   77    HG   LEU  10           HG       LEU  10   6.796   1.104   1.670
   78   1HD1  LEU  10          HD11      LEU  10   9.415   1.985   0.405
   79   2HD1  LEU  10          HD12      LEU  10   8.054   1.157  -0.352
   80   3HD1  LEU  10          HD13      LEU  10   7.861   2.825   0.211
   81   1HD2  LEU  10          HD21      LEU  10   9.658   0.172   2.128
   82   2HD2  LEU  10          HD22      LEU  10   8.261  -0.329   3.110
   83   3HD2  LEU  10          HD23      LEU  10   8.330  -0.728   1.384
   84    H    GLN  11           H        GLN  11   9.385   5.027   2.657
   85    HA   GLN  11           HA       GLN  11  11.081   4.633   0.426
   86   1HB   GLN  11          HB2       GLN  11   9.539   6.560   0.707
   87   2HB   GLN  11          HB3       GLN  11  10.602   7.222   1.959
   88   1HG   GLN  11          HG2       GLN  11  11.018   8.318  -0.203
   89   2HG   GLN  11          HG3       GLN  11  12.444   7.414   0.297
   90   1HE2  GLN  11          HE22      GLN  11   9.593   7.352  -1.890
   91   2HE2  GLN  11          HE21      GLN  11  10.309   6.220  -3.031
   92    H    ARG  12           H        ARG  12  11.849   5.608   3.799
   93    HA   ARG  12           HA       ARG  12  14.617   6.076   3.393
   94   1HB   ARG  12          HB2       ARG  12  13.406   6.714   5.414
   95   2HB   ARG  12          HB3       ARG  12  13.170   5.014   5.855
   96   1HG   ARG  12          HG2       ARG  12  15.566   4.683   6.118
   97   2HG   ARG  12          HG3       ARG  12  15.901   6.303   5.482
   98   1HD   ARG  12          HD2       ARG  12  14.644   7.290   7.441
   99   2HD   ARG  12          HD3       ARG  12  14.321   5.659   8.021
  100    HE   ARG  12           HE       ARG  12  16.382   5.563   8.953
  101   1HH1  ARG  12          HH21      ARG  12  16.432   8.125   6.526
  102   2HH1  ARG  12          HH22      ARG  12  17.992   8.742   6.991
  103   1HH2  ARG  12          HH11      ARG  12  18.418   6.376   9.601
  104   2HH2  ARG  12          HH12      ARG  12  19.150   7.707   8.752
  105    H    MET  13           H        MET  13  12.896   3.040   4.327
  106    HA   MET  13           HA       MET  13  15.168   1.361   4.372
  107   1HB   MET  13          HB2       MET  13  12.957   0.726   5.244
  108   2HB   MET  13          HB3       MET  13  12.284   0.705   3.607
  109   1HG   MET  13          HG2       MET  13  13.796  -1.123   2.980
  110   2HG   MET  13          HG3       MET  13  14.550  -1.076   4.583
  111   1HE   MET  13          HE1       MET  13  13.404  -3.686   3.103
  112   2HE   MET  13          HE2       MET  13  14.216  -3.697   4.690
  113   3HE   MET  13          HE3       MET  13  12.640  -4.497   4.488
  114    H    GLN  14           H        GLN  14  12.923   2.067   1.668
  115    HA   GLN  14           HA       GLN  14  14.158   0.604  -0.363
  116   1HB   GLN  14          HB2       GLN  14  11.962   1.813  -0.413
  117   2HB   GLN  14          HB3       GLN  14  12.823   3.336  -0.624
  118   1HG   GLN  14          HG2       GLN  14  12.897   0.945  -2.517
  119   2HG   GLN  14          HG3       GLN  14  11.900   2.388  -2.729
  120   1HE2  GLN  14          HE22      GLN  14  13.500   4.557  -2.329
  121   2HE2  GLN  14          HE21      GLN  14  14.910   4.473  -3.371
  122    H    GLU  15           H        GLU  15  14.831   3.977   0.672
  123    HA   GLU  15           HA       GLU  15  16.825   4.554  -1.196
  124   1HB   GLU  15          HB2       GLU  15  15.716   6.220   0.260
  125   2HB   GLU  15          HB3       GLU  15  16.582   5.580   1.664
  126   1HG   GLU  15          HG2       GLU  15  17.683   7.589   0.867
  127   2HG   GLU  15          HG3       GLU  15  18.754   6.211   0.604
  128    H    LYS  16           H        LYS  16  17.144   3.208   2.135
  129    HA   LYS  16           HA       LYS  16  19.975   2.880   2.086
  130   1HB   LYS  16          HB2       LYS  16  17.808   1.357   3.575
  131   2HB   LYS  16          HB3       LYS  16  19.543   1.124   3.835
  132   1HG   LYS  16          HG2       LYS  16  19.831   3.464   4.475
  133   2HG   LYS  16          HG3       LYS  16  18.131   3.814   4.126
  134   1HD   LYS  16          HD2       LYS  16  17.394   2.273   5.876
  135   2HD   LYS  16          HD3       LYS  16  19.072   1.794   6.210
  136   1HE   LYS  16          HE2       LYS  16  19.625   4.094   6.910
  137   2HE   LYS  16          HE3       LYS  16  17.991   4.638   6.498
  138   1HZ   LYS  16          HZ1       LYS  16  18.228   4.224   8.821
  139   2HZ   LYS  16          HZ2       LYS  16  17.140   3.172   8.172
  140   3HZ   LYS  16          HZ3       LYS  16  18.657   2.655   8.558
  141    H    GLU  17           H        GLU  17  17.352   0.623   1.096
  142    HA   GLU  17           HA       GLU  17  19.014  -1.554   0.409
  143   1HB   GLU  17          HB2       GLU  17  16.307  -0.693  -0.673
  144   2HB   GLU  17          HB3       GLU  17  17.120  -2.185  -1.157
  145   1HG   GLU  17          HG2       GLU  17  17.173  -2.999   1.137
  146   2HG   GLU  17          HG3       GLU  17  16.475  -1.498   1.745
  147    H    ARG  18           H        ARG  18  17.769   1.038  -1.848
  148    HA   ARG  18           HA       ARG  18  19.374  -0.016  -3.988
  149   1HB   ARG  18          HB2       ARG  18  18.877   1.947  -5.241
  150   2HB   ARG  18          HB3       ARG  18  17.421   1.338  -4.442
  151   1HG   ARG  18          HG2       ARG  18  17.576   3.112  -2.758
  152   2HG   ARG  18          HG3       ARG  18  19.073   3.733  -3.482
  153   1HD   ARG  18          HD2       ARG  18  17.895   4.219  -5.579
  154   2HD   ARG  18          HD3       ARG  18  16.407   3.519  -4.914
  155    HE   ARG  18           HE       ARG  18  17.553   5.680  -3.305
  156   1HH1  ARG  18          HH21      ARG  18  15.519   4.995  -6.113
  157   2HH1  ARG  18          HH22      ARG  18  14.627   6.488  -6.017
  158   1HH2  ARG  18          HH11      ARG  18  16.373   7.642  -3.149
  159   2HH2  ARG  18          HH12      ARG  18  15.136   8.026  -4.316
  160    H    ASN  19           H        ASN  19  20.040   2.480  -1.542
  161    HA   ASN  19           HA       ASN  19  22.456   3.495  -2.577
  162   1HB   ASN  19          HB2       ASN  19  21.395   4.594  -0.724
  163   2HB   ASN  19          HB3       ASN  19  21.429   3.120   0.252
  164   1HD2  ASN  19          HD22      ASN  19  23.855   5.160  -1.522
  165   2HD2  ASN  19          HD21      ASN  19  25.009   5.117  -0.202
  166    H    LYS  20           H        LYS  20  21.898   0.658  -0.451
  167    HA   LYS  20           HA       LYS  20  24.798   0.083  -0.406
  168   1HB   LYS  20          HB2       LYS  20  22.431  -1.175   1.027
  169   2HB   LYS  20          HB3       LYS  20  24.139  -1.590   1.288
  170   1HG   LYS  20          HG2       LYS  20  24.641   0.719   1.969
  171   2HG   LYS  20          HG3       LYS  20  22.981   1.212   1.603
  172   1HD   LYS  20          HD2       LYS  20  22.087  -0.215   3.363
  173   2HD   LYS  20          HD3       LYS  20  23.709  -0.831   3.731
  174   1HE   LYS  20          HE2       LYS  20  23.017   0.952   5.321
  175   2HE   LYS  20          HE3       LYS  20  24.463   1.408   4.408
  176   1HZ   LYS  20          HZ1       LYS  20  23.111   2.754   2.995
  177   2HZ   LYS  20          HZ2       LYS  20  21.733   2.275   3.764
  178   3HZ   LYS  20          HZ3       LYS  20  22.856   3.178   4.563
  179    H    GLY  21           H        GLY  21  21.782  -1.691  -1.277
  180   1HA   GLY  21          HA2       GLY  21  23.263  -3.879  -2.565
  181   2HA   GLY  21          HA3       GLY  21  21.511  -3.673  -2.422
  182    H    GLN  22           H        GLN  22  24.263  -1.891  -3.856
  183    HA   GLN  22           HA       GLN  22  22.725  -0.700  -5.965
  184   1HB   GLN  22          HB2       GLN  22  25.730  -1.171  -5.743
  185   2HB   GLN  22          HB3       GLN  22  24.931  -0.109  -6.920
  186   1HG   GLN  22          HG2       GLN  22  23.994   1.255  -5.072
  187   2HG   GLN  22          HG3       GLN  22  24.782   0.196  -3.890
  188   1HE2  GLN  22          HE22      GLN  22  25.713   2.239  -3.120
  189   2HE2  GLN  22          HE21      GLN  22  27.184   2.830  -3.902
  Start of MODEL    7
    1   1H    PHE   1          H1        PHE   1   1.365   9.467  -0.981
    2   2H    PHE   1          H2        PHE   1  -0.186   9.051  -0.590
    3   3H    PHE   1          H3        PHE   1   0.860   7.902  -1.132
    4    HA   PHE   1           HA       PHE   1   2.209   8.122   0.785
    5   1HB   PHE   1          HB2       PHE   1   1.635  10.547   1.084
    6   2HB   PHE   1          HB3       PHE   1   0.088  10.069   1.766
    7    HD1  PHE   1           HD1      PHE   1   3.454  10.925   2.510
    8    HD2  PHE   1           HD2      PHE   1   0.176   8.480   3.896
    9    HE1  PHE   1           HE1      PHE   1   4.454  10.848   4.773
   10    HE2  PHE   1           HE2      PHE   1   1.240   8.325   6.121
   11    HZ   PHE   1           HZ       PHE   1   3.366   9.525   6.574
   12    H    VAL   2           H        VAL   2   1.843   6.130   1.672
   13    HA   VAL   2           HA       VAL   2  -0.947   5.374   2.423
   14    HB   VAL   2           HB       VAL   2   1.350   3.550   1.663
   15   1HG1  VAL   2          HG11      VAL   2  -0.394   1.811   1.677
   16   2HG1  VAL   2          HG12      VAL   2  -0.311   2.571   3.271
   17   3HG1  VAL   2          HG13      VAL   2  -1.618   3.004   2.153
   18   1HG2  VAL   2          HG21      VAL   2   0.578   4.752  -0.334
   19   2HG2  VAL   2          HG22      VAL   2  -0.026   3.092  -0.368
   20   3HG2  VAL   2          HG23      VAL   2  -1.116   4.418   0.088
   21    HA   PRO   3           HA       PRO   3   1.237   5.624   6.409
   22   1HB   PRO   3          HB2       PRO   3  -0.859   5.598   8.122
   23   2HB   PRO   3          HB3       PRO   3  -0.576   6.969   7.021
   24   1HG   PRO   3          HG2       PRO   3  -2.446   4.627   6.569
   25   2HG   PRO   3          HG3       PRO   3  -2.836   6.368   6.461
   26   1HD   PRO   3          HD2       PRO   3  -2.176   4.877   4.269
   27   2HD   PRO   3          HD3       PRO   3  -1.672   6.589   4.409
   28    H    ILE   4           H        ILE   4   1.747   3.294   5.250
   29    HA   ILE   4           HA       ILE   4   0.527   1.049   6.615
   30    HB   ILE   4           HB       ILE   4   2.911   0.018   5.655
   31   1HG1  ILE   4          HG12      ILE   4   3.122   0.760   3.331
   32   2HG1  ILE   4          HG13      ILE   4   2.045   2.115   3.609
   33   1HG2  ILE   4          HG21      ILE   4   0.269   0.344   4.202
   34   2HG2  ILE   4          HG22      ILE   4   1.523  -0.861   3.838
   35   3HG2  ILE   4          HG23      ILE   4   0.679  -0.912   5.391
   36   1HD1  ILE   4          HD11      ILE   4   4.760   1.664   4.940
   37   2HD1  ILE   4          HD12      ILE   4   4.441   2.729   3.562
   38   3HD1  ILE   4          HD13      ILE   4   3.757   3.126   5.133
   39    H    PHE   5           H        PHE   5   3.916   2.019   6.731
   40    HA   PHE   5           HA       PHE   5   3.898   1.726   9.715
   41   1HB   PHE   5          HB2       PHE   5   6.369   1.766   7.993
   42   2HB   PHE   5          HB3       PHE   5   6.166   1.122   9.616
   43    HD1  PHE   5           HD1      PHE   5   3.921  -0.748   9.415
   44    HD2  PHE   5           HD2      PHE   5   7.069   0.044   6.565
   45    HE1  PHE   5           HE1      PHE   5   3.555  -2.967   8.383
   46    HE2  PHE   5           HE2      PHE   5   6.688  -2.177   5.538
   47    HZ   PHE   5           HZ       PHE   5   4.929  -3.684   6.438
   48    H    THR   6           H        THR   6   3.138   3.946   7.720
   49    HA   THR   6           HA       THR   6   3.232   6.224   7.702
   50    HB   THR   6           HB       THR   6   5.898   6.332   9.155
   51    HG1  THR   6           HG1      THR   6   4.598   5.286  10.531
   52   1HG2  THR   6          HG21      THR   6   5.125   8.371   7.986
   53   2HG2  THR   6          HG22      THR   6   3.582   8.287   8.873
   54   3HG2  THR   6          HG23      THR   6   5.099   8.561   9.751
   55    H    TYR   7           H        TYR   7   3.448   6.265   5.527
   56    HA   TYR   7           HA       TYR   7   5.005   5.045   3.842
   57   1HB   TYR   7          HB2       TYR   7   3.157   6.716   3.346
   58   2HB   TYR   7          HB3       TYR   7   4.355   7.985   3.505
   59    HD1  TYR   7           HD1      TYR   7   5.095   8.856   1.466
   60    HD2  TYR   7           HD2      TYR   7   4.068   4.672   1.714
   61    HE1  TYR   7           HE1      TYR   7   5.692   8.558  -0.924
   62    HE2  TYR   7           HE2      TYR   7   4.791   4.361  -0.633
   63    HH   TYR   7           HH       TYR   7   6.342   5.435  -2.178
   64    H    GLY   8           H        GLY   8   6.022   8.158   5.163
   65   1HA   GLY   8          HA2       GLY   8   8.388   8.735   3.928
   66   2HA   GLY   8          HA3       GLY   8   8.115   8.985   5.659
   67    H    GLU   9           H        GLU   9   8.097   6.379   6.719
   68    HA   GLU   9           HA       GLU   9  10.982   5.976   6.626
   69   1HB   GLU   9          HB2       GLU   9  10.685   4.191   8.226
   70   2HB   GLU   9          HB3       GLU   9  10.027   5.735   8.770
   71   1HG   GLU   9          HG2       GLU   9   7.790   5.000   8.528
   72   2HG   GLU   9          HG3       GLU   9   8.247   3.580   7.564
   73    H    LEU  10           H        LEU  10   8.173   4.377   5.143
   74    HA   LEU  10           HA       LEU  10   9.660   2.037   4.342
   75   1HB   LEU  10          HB2       LEU  10   7.187   2.090   4.437
   76   2HB   LEU  10          HB3       LEU  10   7.162   3.261   3.110
   77    HG   LEU  10           HG       LEU  10   8.234   1.579   1.613
   78   1HD1  LEU  10          HD11      LEU  10   7.946  -0.275   4.018
   79   2HD1  LEU  10          HD12      LEU  10   8.248  -0.818   2.355
   80   3HD1  LEU  10          HD13      LEU  10   9.456   0.162   3.183
   81   1HD2  LEU  10          HD21      LEU  10   5.777   1.815   1.714
   82   2HD2  LEU  10          HD22      LEU  10   6.281   0.163   1.328
   83   3HD2  LEU  10          HD23      LEU  10   5.720   0.548   2.965
   84    H    GLN  11           H        GLN  11   9.006   5.244   2.896
   85    HA   GLN  11           HA       GLN  11  10.486   4.756   0.461
   86   1HB   GLN  11          HB2       GLN  11   9.848   7.338   1.930
   87   2HB   GLN  11          HB3       GLN  11  10.649   7.248   0.359
   88   1HG   GLN  11          HG2       GLN  11   7.856   6.194   1.008
   89   2HG   GLN  11          HG3       GLN  11   8.241   7.646   0.078
   90   1HE2  GLN  11          HE22      GLN  11  10.106   6.962  -1.749
   91   2HE2  GLN  11          HE21      GLN  11   9.557   5.621  -2.736
   92    H    ARG  12           H        ARG  12  11.547   6.151   3.624
   93    HA   ARG  12           HA       ARG  12  14.244   6.402   2.769
   94   1HB   ARG  12          HB2       ARG  12  13.064   6.069   5.537
   95   2HB   ARG  12          HB3       ARG  12  14.791   6.338   5.227
   96   1HG   ARG  12          HG2       ARG  12  14.278   8.362   3.916
   97   2HG   ARG  12          HG3       ARG  12  12.555   8.171   4.252
   98   1HD   ARG  12          HD2       ARG  12  14.739   8.530   6.361
   99   2HD   ARG  12          HD3       ARG  12  13.721   9.835   5.776
  100    HE   ARG  12           HE       ARG  12  13.038   7.715   7.665
  101   1HH1  ARG  12          HH11      ARG  12  11.653   9.991   5.358
  102   2HH1  ARG  12          HH12      ARG  12  10.192  10.267   6.270
  103   1HH2  ARG  12          HH21      ARG  12  11.102   7.972   8.827
  104   2HH2  ARG  12          HH22      ARG  12   9.840   9.020   8.246
  105    H    MET  13           H        MET  13  12.602   3.558   4.187
  106    HA   MET  13           HA       MET  13  14.896   1.882   4.374
  107   1HB   MET  13          HB2       MET  13  11.954   1.298   3.868
  108   2HB   MET  13          HB3       MET  13  13.165   0.025   4.066
  109   1HG   MET  13          HG2       MET  13  13.602   0.589   6.306
  110   2HG   MET  13          HG3       MET  13  12.909   2.197   6.159
  111   1HE   MET  13          HE1       MET  13  11.219  -1.183   4.930
  112   2HE   MET  13          HE2       MET  13  12.115  -1.636   6.404
  113   3HE   MET  13          HE3       MET  13  10.334  -1.628   6.407
  114    H    GLN  14           H        GLN  14  12.561   2.342   1.650
  115    HA   GLN  14           HA       GLN  14  13.938   0.690  -0.216
  116   1HB   GLN  14          HB2       GLN  14  12.209   3.151  -0.592
  117   2HB   GLN  14          HB3       GLN  14  12.853   2.219  -1.945
  118   1HG   GLN  14          HG2       GLN  14  11.639   0.265  -1.376
  119   2HG   GLN  14          HG3       GLN  14  11.239   0.859   0.242
  120   1HE2  GLN  14          HE22      GLN  14   9.861   2.728   0.428
  121   2HE2  GLN  14          HE21      GLN  14   8.673   3.132  -0.822
  122    H    GLU  15           H        GLU  15  14.390   4.217   0.505
  123    HA   GLU  15           HA       GLU  15  16.367   4.677  -1.474
  124   1HB   GLU  15          HB2       GLU  15  15.905   5.964   1.236
  125   2HB   GLU  15          HB3       GLU  15  17.045   6.583   0.044
  126   1HG   GLU  15          HG2       GLU  15  15.364   7.174  -1.497
  127   2HG   GLU  15          HG3       GLU  15  14.153   6.126  -0.763
  128    H    LYS  16           H        LYS  16  16.732   3.653   1.964
  129    HA   LYS  16           HA       LYS  16  19.562   3.535   1.933
  130   1HB   LYS  16          HB2       LYS  16  18.269   3.551   3.994
  131   2HB   LYS  16          HB3       LYS  16  17.506   2.012   3.584
  132   1HG   LYS  16          HG2       LYS  16  19.255   1.749   5.276
  133   2HG   LYS  16          HG3       LYS  16  19.625   0.822   3.819
  134   1HD   LYS  16          HD2       LYS  16  21.247   2.539   3.094
  135   2HD   LYS  16          HD3       LYS  16  20.801   3.569   4.473
  136   1HE   LYS  16          HE2       LYS  16  21.634   1.820   6.030
  137   2HE   LYS  16          HE3       LYS  16  22.026   0.772   4.652
  138   1HZ   LYS  16          HZ1       LYS  16  23.211   3.404   5.187
  139   2HZ   LYS  16          HZ2       LYS  16  23.933   1.946   5.443
  140   3HZ   LYS  16          HZ3       LYS  16  23.573   2.427   3.910
  141    H    GLU  17           H        GLU  17  17.090   1.019   1.264
  142    HA   GLU  17           HA       GLU  17  18.832  -1.133   0.764
  143   1HB   GLU  17          HB2       GLU  17  16.342  -1.239   0.999
  144   2HB   GLU  17          HB3       GLU  17  16.179  -0.555  -0.628
  145   1HG   GLU  17          HG2       GLU  17  17.399  -2.507  -1.567
  146   2HG   GLU  17          HG3       GLU  17  17.602  -3.165   0.066
  147    H    ARG  18           H        ARG  18  17.546   1.330  -1.513
  148    HA   ARG  18           HA       ARG  18  18.913   0.443  -3.825
  149   1HB   ARG  18          HB2       ARG  18  17.049   2.252  -3.463
  150   2HB   ARG  18          HB3       ARG  18  18.386   3.382  -3.264
  151   1HG   ARG  18          HG2       ARG  18  17.780   1.600  -5.675
  152   2HG   ARG  18          HG3       ARG  18  17.479   3.335  -5.554
  153   1HD   ARG  18          HD2       ARG  18  20.184   1.952  -5.667
  154   2HD   ARG  18          HD3       ARG  18  19.445   2.952  -6.893
  155    HE   ARG  18           HE       ARG  18  19.463   4.834  -5.181
  156   1HH1  ARG  18          HH21      ARG  18  21.988   2.359  -4.907
  157   2HH1  ARG  18          HH22      ARG  18  23.295   3.507  -4.923
  158   1HH2  ARG  18          HH11      ARG  18  21.133   6.315  -4.859
  159   2HH2  ARG  18          HH12      ARG  18  22.780   5.781  -4.675
  160    H    ASN  19           H        ASN  19  19.862   2.877  -1.364
  161    HA   ASN  19           HA       ASN  19  22.340   3.637  -2.388
  162   1HB   ASN  19          HB2       ASN  19  21.069   4.601  -0.414
  163   2HB   ASN  19          HB3       ASN  19  21.774   3.320   0.576
  164   1HD2  ASN  19          HD22      ASN  19  24.490   3.538  -1.035
  165   2HD2  ASN  19          HD21      ASN  19  25.136   5.022  -0.372
  166    H    LYS  20           H        LYS  20  21.571   0.856  -0.236
  167    HA   LYS  20           HA       LYS  20  24.286  -0.056  -0.056
  168   1HB   LYS  20          HB2       LYS  20  22.577  -0.700   1.566
  169   2HB   LYS  20          HB3       LYS  20  21.636  -1.513   0.313
  170   1HG   LYS  20          HG2       LYS  20  22.861  -3.104   1.700
  171   2HG   LYS  20          HG3       LYS  20  23.384  -3.205   0.017
  172   1HD   LYS  20          HD2       LYS  20  25.427  -1.932   0.522
  173   2HD   LYS  20          HD3       LYS  20  24.868  -1.643   2.187
  174   1HE   LYS  20          HE2       LYS  20  24.943  -4.091   2.622
  175   2HE   LYS  20          HE3       LYS  20  25.464  -4.374   0.949
  176   1HZ   LYS  20          HZ1       LYS  20  27.424  -3.095   1.408
  177   2HZ   LYS  20          HZ2       LYS  20  26.943  -2.831   2.962
  178   3HZ   LYS  20          HZ3       LYS  20  27.298  -4.359   2.457
  179    H    GLY  21           H        GLY  21  21.526  -0.979  -2.155
  180   1HA   GLY  21          HA2       GLY  21  23.029  -2.878  -3.761
  181   2HA   GLY  21          HA3       GLY  21  21.401  -2.246  -4.052
  182    H    GLN  22           H        GLN  22  24.742  -0.937  -3.930
  183    HA   GLN  22           HA       GLN  22  24.335   1.090  -5.909
  184   1HB   GLN  22          HB2       GLN  22  26.917  -0.326  -5.109
  185   2HB   GLN  22          HB3       GLN  22  26.786   1.182  -6.029
  186   1HG   GLN  22          HG2       GLN  22  25.561   2.199  -4.052
  187   2HG   GLN  22          HG3       GLN  22  25.899   0.713  -3.148
  188   1HE2  GLN  22          HE22      GLN  22  27.683   3.160  -5.146
  189   2HE2  GLN  22          HE21      GLN  22  29.067   3.202  -4.067
  Start of MODEL    8
    1   1H    PHE   1          H1        PHE   1   1.954   8.778  -0.836
    2   2H    PHE   1          H2        PHE   1   2.524  10.252  -0.351
    3   3H    PHE   1          H3        PHE   1   0.899   9.939  -0.353
    4    HA   PHE   1           HA       PHE   1   2.852   8.569   1.319
    5   1HB   PHE   1          HB2       PHE   1   2.630  10.874   2.056
    6   2HB   PHE   1          HB3       PHE   1   0.872  10.778   1.971
    7    HD1  PHE   1           HD1      PHE   1   3.871   9.549   3.819
    8    HD2  PHE   1           HD2      PHE   1  -0.433   9.808   3.764
    9    HE1  PHE   1           HE1      PHE   1   3.774   8.486   6.052
   10    HE2  PHE   1           HE2      PHE   1  -0.521   8.798   6.023
   11    HZ   PHE   1           HZ       PHE   1   1.571   8.099   7.159
   12    H    VAL   2           H        VAL   2   2.013   6.924   2.622
   13    HA   VAL   2           HA       VAL   2  -0.866   6.399   2.631
   14    HB   VAL   2           HB       VAL   2   1.174   4.275   1.843
   15   1HG1  VAL   2          HG11      VAL   2  -0.791   2.828   1.536
   16   2HG1  VAL   2          HG12      VAL   2  -0.744   3.410   3.204
   17   3HG1  VAL   2          HG13      VAL   2  -1.870   4.140   2.042
   18   1HG2  VAL   2          HG21      VAL   2  -0.064   4.179  -0.314
   19   2HG2  VAL   2          HG22      VAL   2  -0.973   5.628   0.159
   20   3HG2  VAL   2          HG23      VAL   2   0.788   5.708  -0.095
   21    HA   PRO   3           HA       PRO   3   0.785   5.549   6.793
   22   1HB   PRO   3          HB2       PRO   3  -1.512   5.231   8.185
   23   2HB   PRO   3          HB3       PRO   3  -1.089   6.805   7.469
   24   1HG   PRO   3          HG2       PRO   3  -2.906   4.685   6.285
   25   2HG   PRO   3          HG3       PRO   3  -3.267   6.420   6.514
   26   1HD   PRO   3          HD2       PRO   3  -2.344   5.397   4.143
   27   2HD   PRO   3          HD3       PRO   3  -1.886   7.034   4.700
   28    H    ILE   4           H        ILE   4   1.420   3.600   5.204
   29    HA   ILE   4           HA       ILE   4   0.197   1.054   6.029
   30    HB   ILE   4           HB       ILE   4   2.518   0.232   4.983
   31   1HG1  ILE   4          HG12      ILE   4   2.129   2.692   3.264
   32   2HG1  ILE   4          HG13      ILE   4   3.193   2.818   4.659
   33   1HG2  ILE   4          HG21      ILE   4   1.372   0.081   2.796
   34   2HG2  ILE   4          HG22      ILE   4   0.322  -0.350   4.150
   35   3HG2  ILE   4          HG23      ILE   4   0.150   1.232   3.370
   36   1HD1  ILE   4          HD11      ILE   4   3.531   0.804   2.420
   37   2HD1  ILE   4          HD12      ILE   4   4.484   2.274   2.706
   38   3HD1  ILE   4          HD13      ILE   4   4.547   0.942   3.875
   39    H    PHE   5           H        PHE   5   3.569   2.000   6.292
   40    HA   PHE   5           HA       PHE   5   3.533   1.519   9.245
   41   1HB   PHE   5          HB2       PHE   5   6.024   1.348   7.551
   42   2HB   PHE   5          HB3       PHE   5   5.709   0.652   9.131
   43    HD1  PHE   5           HD1      PHE   5   6.418  -0.269   5.913
   44    HD2  PHE   5           HD2      PHE   5   3.384  -1.011   8.894
   45    HE1  PHE   5           HE1      PHE   5   5.747  -2.332   4.723
   46    HE2  PHE   5           HE2      PHE   5   2.729  -3.080   7.702
   47    HZ   PHE   5           HZ       PHE   5   3.898  -3.737   5.606
   48    H    THR   6           H        THR   6   2.737   3.803   7.620
   49    HA   THR   6           HA       THR   6   3.028   6.045   7.379
   50    HB   THR   6           HB       THR   6   5.492   5.902   9.173
   51    HG1  THR   6           HG1      THR   6   3.697   5.056  10.236
   52   1HG2  THR   6          HG21      THR   6   3.580   8.179   8.548
   53   2HG2  THR   6          HG22      THR   6   4.949   8.218   9.671
   54   3HG2  THR   6          HG23      THR   6   5.250   8.021   7.939
   55    H    TYR   7           H        TYR   7   3.401   5.655   5.173
   56    HA   TYR   7           HA       TYR   7   5.221   4.430   3.789
   57   1HB   TYR   7          HB2       TYR   7   3.538   5.501   2.599
   58   2HB   TYR   7          HB3       TYR   7   3.976   7.097   3.221
   59    HD1  TYR   7           HD1      TYR   7   5.149   4.364   0.933
   60    HD2  TYR   7           HD2      TYR   7   5.474   8.521   2.045
   61    HE1  TYR   7           HE1      TYR   7   6.667   4.773  -0.990
   62    HE2  TYR   7           HE2      TYR   7   6.981   8.917   0.136
   63    HH   TYR   7           HH       TYR   7   8.270   7.917  -1.485
   64    H    GLY   8           H        GLY   8   6.032   7.679   4.958
   65   1HA   GLY   8          HA2       GLY   8   8.482   8.163   3.762
   66   2HA   GLY   8          HA3       GLY   8   8.093   8.617   5.431
   67    H    GLU   9           H        GLU   9   7.850   6.009   6.540
   68    HA   GLU   9           HA       GLU   9  10.534   5.318   7.212
   69   1HB   GLU   9          HB2       GLU   9   8.540   4.897   8.645
   70   2HB   GLU   9          HB3       GLU   9   7.936   3.728   7.465
   71   1HG   GLU   9          HG2       GLU   9   9.984   2.342   7.812
   72   2HG   GLU   9          HG3       GLU   9  10.535   3.499   9.038
   73    H    LEU  10           H        LEU  10   8.110   3.788   5.034
   74    HA   LEU  10           HA       LEU  10   9.806   1.607   4.282
   75   1HB   LEU  10          HB2       LEU  10   7.354   1.516   4.053
   76   2HB   LEU  10          HB3       LEU  10   7.401   2.817   2.856
   77    HG   LEU  10           HG       LEU  10   8.714   1.378   1.318
   78   1HD1  LEU  10          HD11      LEU  10   9.886  -0.117   2.862
   79   2HD1  LEU  10          HD12      LEU  10   8.341  -0.747   3.479
   80   3HD1  LEU  10          HD13      LEU  10   8.848  -1.080   1.811
   81   1HD2  LEU  10          HD21      LEU  10   6.908  -0.133   0.705
   82   2HD2  LEU  10          HD22      LEU  10   6.171   0.043   2.309
   83   3HD2  LEU  10          HD23      LEU  10   6.247   1.434   1.198
   84    H    GLN  11           H        GLN  11   9.131   4.839   2.903
   85    HA   GLN  11           HA       GLN  11  10.743   4.587   0.595
   86   1HB   GLN  11          HB2       GLN  11   9.148   6.516   1.259
   87   2HB   GLN  11          HB3       GLN  11  10.522   7.170   2.169
   88   1HG   GLN  11          HG2       GLN  11  11.880   6.938  -0.025
   89   2HG   GLN  11          HG3       GLN  11  10.348   6.580  -0.818
   90   1HE2  GLN  11          HE22      GLN  11  12.257   9.046   0.872
   91   2HE2  GLN  11          HE21      GLN  11  11.265  10.414   0.369
   92    H    ARG  12           H        ARG  12  11.627   5.683   3.930
   93    HA   ARG  12           HA       ARG  12  14.386   6.105   3.336
   94   1HB   ARG  12          HB2       ARG  12  12.876   5.577   5.898
   95   2HB   ARG  12          HB3       ARG  12  14.631   5.831   5.876
   96   1HG   ARG  12          HG2       ARG  12  14.480   8.011   5.039
   97   2HG   ARG  12          HG3       ARG  12  12.871   7.763   4.373
   98   1HD   ARG  12          HD2       ARG  12  11.927   7.655   6.707
   99   2HD   ARG  12          HD3       ARG  12  13.551   7.930   7.343
  100    HE   ARG  12           HE       ARG  12  13.315  10.156   6.955
  101   1HH1  ARG  12          HH11      ARG  12  11.005   8.470   4.851
  102   2HH1  ARG  12          HH12      ARG  12  10.324   9.947   4.211
  103   1HH2  ARG  12          HH21      ARG  12  12.385  12.065   6.161
  104   2HH2  ARG  12          HH22      ARG  12  11.088  12.017   5.001
  105    H    MET  13           H        MET  13  12.687   3.157   4.494
  106    HA   MET  13           HA       MET  13  14.999   1.495   4.680
  107   1HB   MET  13          HB2       MET  13  12.110   0.869   3.951
  108   2HB   MET  13          HB3       MET  13  13.351  -0.370   4.162
  109   1HG   MET  13          HG2       MET  13  13.703   0.218   6.452
  110   2HG   MET  13          HG3       MET  13  12.693   1.664   6.326
  111   1HE   MET  13          HE1       MET  13  10.742  -0.692   8.789
  112   2HE   MET  13          HE2       MET  13  12.510  -0.713   8.585
  113   3HE   MET  13          HE3       MET  13  11.637   0.837   8.615
  114    H    GLN  14           H        GLN  14  12.850   2.182   1.875
  115    HA   GLN  14           HA       GLN  14  14.266   0.651  -0.024
  116   1HB   GLN  14          HB2       GLN  14  12.017   1.602  -0.369
  117   2HB   GLN  14          HB3       GLN  14  12.706   3.227  -0.457
  118   1HG   GLN  14          HG2       GLN  14  14.023   2.555  -2.466
  119   2HG   GLN  14          HG3       GLN  14  13.338   0.925  -2.350
  120   1HE2  GLN  14          HE22      GLN  14  12.115   4.350  -2.298
  121   2HE2  GLN  14          HE21      GLN  14  10.809   4.031  -3.429
  122    H    GLU  15           H        GLU  15  14.720   4.114   0.911
  123    HA   GLU  15           HA       GLU  15  16.836   4.715  -0.873
  124   1HB   GLU  15          HB2       GLU  15  16.250   5.726   1.935
  125   2HB   GLU  15          HB3       GLU  15  17.486   6.414   0.889
  126   1HG   GLU  15          HG2       GLU  15  15.922   7.238  -0.677
  127   2HG   GLU  15          HG3       GLU  15  14.616   6.218  -0.084
  128    H    LYS  16           H        LYS  16  16.961   3.396   2.487
  129    HA   LYS  16           HA       LYS  16  19.780   3.197   2.536
  130   1HB   LYS  16          HB2       LYS  16  18.328   3.176   4.539
  131   2HB   LYS  16          HB3       LYS  16  17.719   1.586   4.091
  132   1HG   LYS  16          HG2       LYS  16  19.462   1.528   5.868
  133   2HG   LYS  16          HG3       LYS  16  19.856   0.549   4.456
  134   1HD   LYS  16          HD2       LYS  16  21.817   1.746   5.326
  135   2HD   LYS  16          HD3       LYS  16  21.469   2.201   3.665
  136   1HE   LYS  16          HE2       LYS  16  20.351   4.308   4.521
  137   2HE   LYS  16          HE3       LYS  16  20.777   3.814   6.168
  138   1HZ   LYS  16          HZ1       LYS  16  22.653   4.393   3.969
  139   2HZ   LYS  16          HZ2       LYS  16  22.344   5.343   5.276
  140   3HZ   LYS  16          HZ3       LYS  16  23.085   3.887   5.480
  141    H    GLU  17           H        GLU  17  17.290   0.830   1.489
  142    HA   GLU  17           HA       GLU  17  19.083  -1.294   0.932
  143   1HB   GLU  17          HB2       GLU  17  16.619  -1.521   0.922
  144   2HB   GLU  17          HB3       GLU  17  16.516  -0.530  -0.538
  145   1HG   GLU  17          HG2       GLU  17  16.337  -2.906  -1.082
  146   2HG   GLU  17          HG3       GLU  17  17.790  -2.221  -1.811
  147    H    ARG  18           H        ARG  18  17.915   1.343  -1.249
  148    HA   ARG  18           HA       ARG  18  19.621   0.628  -3.425
  149   1HB   ARG  18          HB2       ARG  18  18.397   3.316  -2.695
  150   2HB   ARG  18          HB3       ARG  18  19.210   2.962  -4.221
  151   1HG   ARG  18          HG2       ARG  18  16.647   1.667  -3.198
  152   2HG   ARG  18          HG3       ARG  18  16.814   2.827  -4.512
  153   1HD   ARG  18          HD2       ARG  18  17.752  -0.070  -4.429
  154   2HD   ARG  18          HD3       ARG  18  16.522   0.612  -5.469
  155    HE   ARG  18           HE       ARG  18  19.399   0.619  -5.866
  156   1HH1  ARG  18          HH21      ARG  18  16.464   2.418  -6.637
  157   2HH1  ARG  18          HH22      ARG  18  17.077   3.054  -8.140
  158   1HH2  ARG  18          HH11      ARG  18  20.216   1.416  -7.837
  159   2HH2  ARG  18          HH12      ARG  18  19.257   2.491  -8.815
  160    H    ASN  19           H        ASN  19  20.303   2.600  -0.548
  161    HA   ASN  19           HA       ASN  19  22.767   3.684  -1.314
  162   1HB   ASN  19          HB2       ASN  19  21.485   3.907   0.914
  163   2HB   ASN  19          HB3       ASN  19  22.310   2.419   1.404
  164   1HD2  ASN  19          HD22      ASN  19  24.897   3.370  -0.130
  165   2HD2  ASN  19          HD21      ASN  19  25.517   4.550   1.007
  166    H    LYS  20           H        LYS  20  21.950   0.308  -0.474
  167    HA   LYS  20           HA       LYS  20  24.787  -0.533  -0.663
  168   1HB   LYS  20          HB2       LYS  20  22.270  -2.175  -0.178
  169   2HB   LYS  20          HB3       LYS  20  23.923  -2.739  -0.024
  170   1HG   LYS  20          HG2       LYS  20  22.480  -0.667   1.679
  171   2HG   LYS  20          HG3       LYS  20  22.951  -2.287   2.165
  172   1HD   LYS  20          HD2       LYS  20  24.874   0.030   1.575
  173   2HD   LYS  20          HD3       LYS  20  24.360  -0.552   3.149
  174   1HE   LYS  20          HE2       LYS  20  26.442  -1.539   2.928
  175   2HE   LYS  20          HE3       LYS  20  25.343  -2.856   2.494
  176   1HZ   LYS  20          HZ1       LYS  20  25.818  -2.348   0.185
  177   2HZ   LYS  20          HZ2       LYS  20  26.800  -1.103   0.626
  178   3HZ   LYS  20          HZ3       LYS  20  27.207  -2.652   1.009
  179    H    GLY  21           H        GLY  21  21.646  -1.223  -2.229
  180   1HA   GLY  21          HA2       GLY  21  22.515  -2.975  -4.209
  181   2HA   GLY  21          HA3       GLY  21  21.091  -1.931  -4.332
  182    H    GLN  22           H        GLN  22  22.246   0.592  -4.399
  183    HA   GLN  22           HA       GLN  22  22.963   2.126  -5.898
  184   1HB   GLN  22          HB2       GLN  22  25.323   0.208  -5.883
  185   2HB   GLN  22          HB3       GLN  22  25.389   1.872  -6.486
  186   1HG   GLN  22          HG2       GLN  22  24.907   2.803  -4.333
  187   2HG   GLN  22          HG3       GLN  22  24.475   1.235  -3.652
  188   1HE2  GLN  22          HE22      GLN  22  26.160  -0.426  -3.420
  189   2HE2  GLN  22          HE21      GLN  22  27.825   0.106  -3.184
  Start of MODEL    9
    1   1H    PHE   1          H1        PHE   1  -1.429   8.610   0.754
    2   2H    PHE   1          H2        PHE   1  -2.321   7.602  -0.185
    3   3H    PHE   1          H3        PHE   1  -0.965   8.318  -0.807
    4    HA   PHE   1           HA       PHE   1  -0.594   6.014  -0.275
    5   1HB   PHE   1          HB2       PHE   1   1.424   6.346   1.164
    6   2HB   PHE   1          HB3       PHE   1   1.333   7.407  -0.231
    7    HD1  PHE   1           HD1      PHE   1   1.498   9.761   0.019
    8    HD2  PHE   1           HD2      PHE   1   0.704   7.314   3.484
    9    HE1  PHE   1           HE1      PHE   1   1.838  11.723   1.494
   10    HE2  PHE   1           HE2      PHE   1   1.006   9.290   4.943
   11    HZ   PHE   1           HZ       PHE   1   1.593  11.493   3.955
   12    H    VAL   2           H        VAL   2  -0.286   4.405   1.397
   13    HA   VAL   2           HA       VAL   2  -2.014   4.778   3.790
   14    HB   VAL   2           HB       VAL   2  -1.756   2.291   4.002
   15   1HG1  VAL   2          HG11      VAL   2  -3.562   1.866   2.380
   16   2HG1  VAL   2          HG12      VAL   2  -3.812   3.397   3.235
   17   3HG1  VAL   2          HG13      VAL   2  -3.207   3.404   1.564
   18   1HG2  VAL   2          HG21      VAL   2  -0.921   2.419   1.061
   19   2HG2  VAL   2          HG22      VAL   2   0.134   1.893   2.390
   20   3HG2  VAL   2          HG23      VAL   2  -1.318   0.974   1.998
   21    HA   PRO   3           HA       PRO   3   2.135   5.303   5.483
   22   1HB   PRO   3          HB2       PRO   3   1.551   6.433   7.890
   23   2HB   PRO   3          HB3       PRO   3   1.222   7.271   6.353
   24   1HG   PRO   3          HG2       PRO   3  -0.722   5.622   7.994
   25   2HG   PRO   3          HG3       PRO   3  -0.942   7.300   7.413
   26   1HD   PRO   3          HD2       PRO   3  -1.922   5.148   6.048
   27   2HD   PRO   3          HD3       PRO   3  -1.270   6.575   5.185
   28    H    ILE   4           H        ILE   4   1.505   2.710   5.343
   29    HA   ILE   4           HA       ILE   4   0.674   1.338   7.585
   30    HB   ILE   4           HB       ILE   4   2.224  -0.586   6.514
   31   1HG1  ILE   4          HG12      ILE   4   2.349  -0.415   4.123
   32   2HG1  ILE   4          HG13      ILE   4   1.738   1.233   4.118
   33   1HG2  ILE   4          HG21      ILE   4  -0.210  -0.599   6.696
   34   2HG2  ILE   4          HG22      ILE   4  -0.343   0.528   5.328
   35   3HG2  ILE   4          HG23      ILE   4   0.287  -1.114   5.079
   36   1HD1  ILE   4          HD11      ILE   4   3.813   2.091   4.978
   37   2HD1  ILE   4          HD12      ILE   4   4.369   0.442   5.414
   38   3HD1  ILE   4          HD13      ILE   4   4.193   0.921   3.720
   39    H    PHE   5           H        PHE   5   4.038   2.080   6.856
   40    HA   PHE   5           HA       PHE   5   4.724   1.568   9.737
   41   1HB   PHE   5          HB2       PHE   5   6.730   1.542   7.485
   42   2HB   PHE   5          HB3       PHE   5   6.911   0.920   9.119
   43    HD1  PHE   5           HD1      PHE   5   7.329  -0.309   6.156
   44    HD2  PHE   5           HD2      PHE   5   4.449  -0.844   9.328
   45    HE1  PHE   5           HE1      PHE   5   6.672  -2.493   5.197
   46    HE2  PHE   5           HE2      PHE   5   3.797  -3.025   8.358
   47    HZ   PHE   5           HZ       PHE   5   4.881  -3.838   6.268
   48    H    THR   6           H        THR   6   3.622   3.929   8.166
   49    HA   THR   6           HA       THR   6   3.889   6.165   8.139
   50    HB   THR   6           HB       THR   6   6.813   6.084   8.913
   51    HG1  THR   6           HG1      THR   6   5.965   5.010  10.541
   52   1HG2  THR   6          HG21      THR   6   6.287   8.270   9.863
   53   2HG2  THR   6          HG22      THR   6   5.845   8.233   8.146
   54   3HG2  THR   6          HG23      THR   6   4.584   8.101   9.398
   55    H    TYR   7           H        TYR   7   3.794   6.723   6.028
   56    HA   TYR   7           HA       TYR   7   5.089   5.347   4.005
   57   1HB   TYR   7          HB2       TYR   7   3.065   6.637   3.676
   58   2HB   TYR   7          HB3       TYR   7   3.931   8.153   3.958
   59    HD1  TYR   7           HD1      TYR   7   4.468   9.374   2.009
   60    HD2  TYR   7           HD2      TYR   7   4.236   5.070   1.787
   61    HE1  TYR   7           HE1      TYR   7   5.165   9.449  -0.369
   62    HE2  TYR   7           HE2      TYR   7   5.015   5.151  -0.556
   63    HH   TYR   7           HH       TYR   7   6.188   6.541  -2.043
   64    H    GLY   8           H        GLY   8   6.145   8.311   5.601
   65   1HA   GLY   8          HA2       GLY   8   8.405   9.011   4.081
   66   2HA   GLY   8          HA3       GLY   8   8.256   9.201   5.838
   67    H    GLU   9           H        GLU   9   8.042   6.408   6.571
   68    HA   GLU   9           HA       GLU   9  10.884   5.737   6.529
   69   1HB   GLU   9          HB2       GLU   9   8.476   4.256   7.651
   70   2HB   GLU   9          HB3       GLU   9  10.153   3.733   7.790
   71   1HG   GLU   9          HG2       GLU   9  10.760   5.755   9.027
   72   2HG   GLU   9          HG3       GLU   9   9.126   6.405   8.851
   73    H    LEU  10           H        LEU  10   7.841   4.563   5.057
   74    HA   LEU  10           HA       LEU  10   8.923   2.323   3.739
   75   1HB   LEU  10          HB2       LEU  10   6.470   3.183   4.005
   76   2HB   LEU  10          HB3       LEU  10   6.755   4.066   2.509
   77    HG   LEU  10           HG       LEU  10   5.540   1.996   2.202
   78   1HD1  LEU  10          HD11      LEU  10   6.643   1.095   0.320
   79   2HD1  LEU  10          HD12      LEU  10   7.051   2.819   0.385
   80   3HD1  LEU  10          HD13      LEU  10   8.235   1.583   0.902
   81   1HD2  LEU  10          HD21      LEU  10   6.612   0.716   4.092
   82   2HD2  LEU  10          HD22      LEU  10   6.415  -0.201   2.587
   83   3HD2  LEU  10          HD23      LEU  10   8.009   0.418   3.037
   84    H    GLN  11           H        GLN  11   8.837   5.752   2.670
   85    HA   GLN  11           HA       GLN  11  10.369   5.203   0.252
   86   1HB   GLN  11          HB2       GLN  11   9.903   7.790   1.785
   87   2HB   GLN  11          HB3       GLN  11  10.779   7.672   0.257
   88   1HG   GLN  11          HG2       GLN  11   7.848   7.007   0.740
   89   2HG   GLN  11          HG3       GLN  11   8.492   8.340  -0.223
   90   1HE2  GLN  11          HE22      GLN  11  10.436   7.104  -1.829
   91   2HE2  GLN  11          HE21      GLN  11   9.743   5.755  -2.718
   92    H    ARG  12           H        ARG  12  11.354   6.252   3.553
   93    HA   ARG  12           HA       ARG  12  14.043   6.486   2.885
   94   1HB   ARG  12          HB2       ARG  12  13.087   7.178   5.070
   95   2HB   ARG  12          HB3       ARG  12  12.958   5.472   5.531
   96   1HG   ARG  12          HG2       ARG  12  14.945   6.440   6.526
   97   2HG   ARG  12          HG3       ARG  12  15.413   5.212   5.335
   98   1HD   ARG  12          HD2       ARG  12  15.988   6.914   3.713
   99   2HD   ARG  12          HD3       ARG  12  15.387   8.213   4.771
  100    HE   ARG  12           HE       ARG  12  17.303   6.881   6.261
  101   1HH1  ARG  12          HH21      ARG  12  17.234   8.553   3.117
  102   2HH1  ARG  12          HH22      ARG  12  18.930   8.938   3.149
  103   1HH2  ARG  12          HH11      ARG  12  19.521   7.418   6.294
  104   2HH2  ARG  12          HH12      ARG  12  20.245   8.296   4.975
  105    H    MET  13           H        MET  13  12.234   3.496   3.663
  106    HA   MET  13           HA       MET  13  14.416   1.688   3.727
  107   1HB   MET  13          HB2       MET  13  11.542   1.349   2.792
  108   2HB   MET  13          HB3       MET  13  12.688   0.009   2.916
  109   1HG   MET  13          HG2       MET  13  12.933   0.291   5.278
  110   2HG   MET  13          HG3       MET  13  12.060   1.821   5.272
  111   1HE   MET  13          HE1       MET  13   9.680  -0.433   7.348
  112   2HE   MET  13          HE2       MET  13  11.458  -0.425   7.354
  113   3HE   MET  13          HE3       MET  13  10.560   1.112   7.275
  114    H    GLN  14           H        GLN  14  12.582   3.004   0.933
  115    HA   GLN  14           HA       GLN  14  13.932   1.456  -1.073
  116   1HB   GLN  14          HB2       GLN  14  12.555   4.160  -1.249
  117   2HB   GLN  14          HB3       GLN  14  13.137   3.245  -2.633
  118   1HG   GLN  14          HG2       GLN  14  11.542   1.562  -2.405
  119   2HG   GLN  14          HG3       GLN  14  11.276   1.874  -0.690
  120   1HE2  GLN  14          HE22      GLN  14   9.456   2.935  -0.154
  121   2HE2  GLN  14          HE21      GLN  14   8.514   3.941  -1.261
  122    H    GLU  15           H        GLU  15  14.532   4.711   0.329
  123    HA   GLU  15           HA       GLU  15  16.798   5.370  -1.289
  124   1HB   GLU  15          HB2       GLU  15  16.184   6.105   1.594
  125   2HB   GLU  15          HB3       GLU  15  17.411   6.881   0.596
  126   1HG   GLU  15          HG2       GLU  15  15.768   7.823  -0.882
  127   2HG   GLU  15          HG3       GLU  15  14.470   6.827  -0.217
  128    H    LYS  16           H        LYS  16  16.514   3.689   1.836
  129    HA   LYS  16           HA       LYS  16  19.255   3.341   2.338
  130   1HB   LYS  16          HB2       LYS  16  17.345   3.162   3.938
  131   2HB   LYS  16          HB3       LYS  16  16.974   1.556   3.281
  132   1HG   LYS  16          HG2       LYS  16  19.309   0.834   3.897
  133   2HG   LYS  16          HG3       LYS  16  19.585   2.422   4.615
  134   1HD   LYS  16          HD2       LYS  16  17.541   0.317   5.470
  135   2HD   LYS  16          HD3       LYS  16  19.002   0.787   6.343
  136   1HE   LYS  16          HE2       LYS  16  16.483   2.464   5.920
  137   2HE   LYS  16          HE3       LYS  16  17.090   1.788   7.432
  138   1HZ   LYS  16          HZ1       LYS  16  19.006   3.211   7.234
  139   2HZ   LYS  16          HZ2       LYS  16  18.418   3.863   5.837
  140   3HZ   LYS  16          HZ3       LYS  16  17.610   4.089   7.254
  141    H    GLU  17           H        GLU  17  16.887   0.997   0.818
  142    HA   GLU  17           HA       GLU  17  18.971  -0.948   0.462
  143   1HB   GLU  17          HB2       GLU  17  17.478  -2.228  -0.871
  144   2HB   GLU  17          HB3       GLU  17  16.661  -1.597   0.553
  145   1HG   GLU  17          HG2       GLU  17  15.084  -1.400  -1.173
  146   2HG   GLU  17          HG3       GLU  17  15.700   0.228  -0.898
  147    H    ARG  18           H        ARG  18  17.754   1.693  -1.664
  148    HA   ARG  18           HA       ARG  18  19.390   0.994  -3.871
  149   1HB   ARG  18          HB2       ARG  18  17.572   2.688  -3.885
  150   2HB   ARG  18          HB3       ARG  18  18.616   3.832  -3.030
  151   1HG   ARG  18          HG2       ARG  18  19.516   2.481  -5.609
  152   2HG   ARG  18          HG3       ARG  18  18.417   3.852  -5.671
  153   1HD   ARG  18          HD2       ARG  18  19.965   5.370  -4.798
  154   2HD   ARG  18          HD3       ARG  18  21.059   4.151  -4.182
  155    HE   ARG  18           HE       ARG  18  20.915   5.185  -6.881
  156   1HH1  ARG  18          HH21      ARG  18  21.940   2.386  -4.927
  157   2HH1  ARG  18          HH22      ARG  18  23.052   1.778  -6.093
  158   1HH2  ARG  18          HH11      ARG  18  22.445   4.439  -8.412
  159   2HH2  ARG  18          HH12      ARG  18  23.386   3.005  -8.089
  160    H    ASN  19           H        ASN  19  20.084   3.104  -1.034
  161    HA   ASN  19           HA       ASN  19  22.730   3.779  -1.746
  162   1HB   ASN  19          HB2       ASN  19  21.279   4.739   0.117
  163   2HB   ASN  19          HB3       ASN  19  21.749   3.353   1.105
  164   1HD2  ASN  19          HD22      ASN  19  24.665   3.460  -0.140
  165   2HD2  ASN  19          HD21      ASN  19  25.320   4.854   0.693
  166    H    LYS  20           H        LYS  20  21.460   0.936   0.051
  167    HA   LYS  20           HA       LYS  20  23.969  -0.240   0.662
  168   1HB   LYS  20          HB2       LYS  20  21.725  -0.893   1.594
  169   2HB   LYS  20          HB3       LYS  20  21.364  -1.699   0.057
  170   1HG   LYS  20          HG2       LYS  20  23.360  -3.153   0.367
  171   2HG   LYS  20          HG3       LYS  20  23.699  -2.342   1.910
  172   1HD   LYS  20          HD2       LYS  20  21.440  -3.046   2.743
  173   2HD   LYS  20          HD3       LYS  20  21.172  -3.929   1.232
  174   1HE   LYS  20          HE2       LYS  20  23.409  -4.465   3.253
  175   2HE   LYS  20          HE3       LYS  20  21.928  -5.417   3.070
  176   1HZ   LYS  20          HZ1       LYS  20  22.614  -5.945   0.839
  177   2HZ   LYS  20          HZ2       LYS  20  24.011  -5.090   1.028
  178   3HZ   LYS  20          HZ3       LYS  20  23.738  -6.433   1.940
  179    H    GLY  21           H        GLY  21  21.837  -0.555  -2.215
  180   1HA   GLY  21          HA2       GLY  21  23.684  -2.224  -3.729
  181   2HA   GLY  21          HA3       GLY  21  22.249  -1.375  -4.321
  182    H    GLN  22           H        GLN  22  25.276  -0.205  -2.779
  183    HA   GLN  22           HA       GLN  22  25.522   2.120  -4.355
  184   1HB   GLN  22          HB2       GLN  22  27.831   2.225  -3.459
  185   2HB   GLN  22          HB3       GLN  22  26.591   1.941  -2.247
  186   1HG   GLN  22          HG2       GLN  22  27.929   0.351  -1.457
  187   2HG   GLN  22          HG3       GLN  22  27.354  -0.672  -2.766
  188   1HE2  GLN  22          HE22      GLN  22  28.710  -0.627  -4.834
  189   2HE2  GLN  22          HE21      GLN  22  30.445  -0.400  -4.625
  Start of MODEL   10
    1   1H    PHE   1          H1        PHE   1  -4.242   6.451  -0.397
    2   2H    PHE   1          H2        PHE   1  -3.710   7.841  -1.117
    3   3H    PHE   1          H3        PHE   1  -4.522   7.900   0.325
    4    HA   PHE   1           HA       PHE   1  -1.923   6.638  -0.071
    5   1HB   PHE   1          HB2       PHE   1  -1.701   9.048  -0.283
    6   2HB   PHE   1          HB3       PHE   1  -2.681   9.312   1.158
    7    HD1  PHE   1           HD1      PHE   1  -1.716   9.231   3.366
    8    HD2  PHE   1           HD2      PHE   1   0.576   7.917  -0.044
    9    HE1  PHE   1           HE1      PHE   1   0.290   8.997   4.800
   10    HE2  PHE   1           HE2      PHE   1   2.579   7.698   1.389
   11    HZ   PHE   1           HZ       PHE   1   2.436   8.220   3.826
   12    H    VAL   2           H        VAL   2  -1.057   5.624   1.765
   13    HA   VAL   2           HA       VAL   2  -2.503   5.781   4.313
   14    HB   VAL   2           HB       VAL   2  -1.767   3.154   2.943
   15   1HG1  VAL   2          HG11      VAL   2  -2.766   2.071   4.916
   16   2HG1  VAL   2          HG12      VAL   2  -1.394   3.069   5.405
   17   3HG1  VAL   2          HG13      VAL   2  -3.054   3.652   5.664
   18   1HG2  VAL   2          HG21      VAL   2  -3.857   4.004   2.004
   19   2HG2  VAL   2          HG22      VAL   2  -4.207   2.663   3.094
   20   3HG2  VAL   2          HG23      VAL   2  -4.491   4.329   3.634
   21    HA   PRO   3           HA       PRO   3   1.994   5.925   5.178
   22   1HB   PRO   3          HB2       PRO   3   1.944   6.360   7.862
   23   2HB   PRO   3          HB3       PRO   3   1.380   7.596   6.709
   24   1HG   PRO   3          HG2       PRO   3  -0.304   5.583   8.227
   25   2HG   PRO   3          HG3       PRO   3  -0.538   7.354   8.140
   26   1HD   PRO   3          HD2       PRO   3  -1.877   5.604   6.521
   27   2HD   PRO   3          HD3       PRO   3  -1.374   7.216   5.933
   28    H    ILE   4           H        ILE   4   1.455   3.561   4.407
   29    HA   ILE   4           HA       ILE   4   0.607   1.522   5.943
   30    HB   ILE   4           HB       ILE   4   1.854   0.004   4.493
   31   1HG1  ILE   4          HG12      ILE   4   3.963   0.942   4.002
   32   2HG1  ILE   4          HG13      ILE   4   3.071   0.782   2.512
   33   1HG2  ILE   4          HG21      ILE   4  -0.317   0.942   3.829
   34   2HG2  ILE   4          HG22      ILE   4   0.501   2.253   2.959
   35   3HG2  ILE   4          HG23      ILE   4   0.699   0.576   2.428
   36   1HD1  ILE   4          HD11      ILE   4   2.559   3.262   2.585
   37   2HD1  ILE   4          HD12      ILE   4   3.688   3.392   3.961
   38   3HD1  ILE   4          HD13      ILE   4   4.257   2.837   2.396
   39    H    PHE   5           H        PHE   5   3.991   2.291   5.618
   40    HA   PHE   5           HA       PHE   5   4.510   1.169   8.358
   41   1HB   PHE   5          HB2       PHE   5   6.543   1.131   6.110
   42   2HB   PHE   5          HB3       PHE   5   6.653   0.346   7.678
   43    HD1  PHE   5           HD1      PHE   5   6.693  -0.564   4.486
   44    HD2  PHE   5           HD2      PHE   5   4.127  -1.166   7.907
   45    HE1  PHE   5           HE1      PHE   5   5.779  -2.613   3.446
   46    HE2  PHE   5           HE2      PHE   5   3.229  -3.218   6.862
   47    HZ   PHE   5           HZ       PHE   5   4.042  -3.944   4.626
   48    H    THR   6           H        THR   6   3.669   3.757   7.376
   49    HA   THR   6           HA       THR   6   4.184   5.972   7.394
   50    HB   THR   6           HB       THR   6   6.783   5.293   8.844
   51    HG1  THR   6           HG1      THR   6   4.836   4.546   9.857
   52   1HG2  THR   6          HG21      THR   6   6.730   7.589   7.928
   53   2HG2  THR   6          HG22      THR   6   5.133   7.849   8.671
   54   3HG2  THR   6          HG23      THR   6   6.558   7.586   9.692
   55    H    TYR   7           H        TYR   7   4.324   6.378   5.235
   56    HA   TYR   7           HA       TYR   7   5.954   5.112   3.459
   57   1HB   TYR   7          HB2       TYR   7   4.034   6.388   2.758
   58   2HB   TYR   7          HB3       TYR   7   4.804   7.908   3.236
   59    HD1  TYR   7           HD1      TYR   7   5.226   4.963   0.935
   60    HD2  TYR   7           HD2      TYR   7   6.215   9.090   1.711
   61    HE1  TYR   7           HE1      TYR   7   6.614   5.016  -1.109
   62    HE2  TYR   7           HE2      TYR   7   7.602   9.137  -0.341
   63    HH   TYR   7           HH       TYR   7   8.031   6.275  -2.431
   64    H    GLY   8           H        GLY   8   6.790   8.121   5.135
   65   1HA   GLY   8          HA2       GLY   8   9.214   8.741   3.818
   66   2HA   GLY   8          HA3       GLY   8   8.862   9.084   5.520
   67    H    GLU   9           H        GLU   9   8.553   6.372   6.437
   68    HA   GLU   9           HA       GLU   9  11.363   5.782   6.919
   69   1HB   GLU   9          HB2       GLU   9   9.590   5.526   8.673
   70   2HB   GLU   9          HB3       GLU   9   8.861   4.237   7.706
   71   1HG   GLU   9          HG2       GLU   9  10.195   3.272   9.477
   72   2HG   GLU   9          HG3       GLU   9  10.933   2.885   7.921
   73    H    LEU  10           H        LEU  10   8.620   4.318   5.133
   74    HA   LEU  10           HA       LEU  10  10.000   2.053   4.135
   75   1HB   LEU  10          HB2       LEU  10   7.527   2.652   3.983
   76   2HB   LEU  10          HB3       LEU  10   7.913   3.623   2.563
   77    HG   LEU  10           HG       LEU  10   8.448   0.627   2.873
   78   1HD1  LEU  10          HD11      LEU  10   6.515   0.322   1.402
   79   2HD1  LEU  10          HD12      LEU  10   6.041   1.211   2.855
   80   3HD1  LEU  10          HD13      LEU  10   6.271   2.080   1.321
   81   1HD2  LEU  10          HD21      LEU  10   9.962   1.392   1.173
   82   2HD2  LEU  10          HD22      LEU  10   8.574   0.748   0.315
   83   3HD2  LEU  10          HD23      LEU  10   8.749   2.505   0.487
   84    H    GLN  11           H        GLN  11   9.660   5.319   2.689
   85    HA   GLN  11           HA       GLN  11  11.242   4.914   0.411
   86   1HB   GLN  11          HB2       GLN  11   9.714   6.812   0.862
   87   2HB   GLN  11          HB3       GLN  11  10.864   7.499   2.009
   88   1HG   GLN  11          HG2       GLN  11  11.698   6.919  -0.863
   89   2HG   GLN  11          HG3       GLN  11  10.719   8.330  -0.477
   90   1HE2  GLN  11          HE22      GLN  11  13.906   6.821   0.203
   91   2HE2  GLN  11          HE21      GLN  11  14.689   8.350   0.588
   92    H    ARG  12           H        ARG  12  12.219   6.065   3.692
   93    HA   ARG  12           HA       ARG  12  14.986   6.339   3.037
   94   1HB   ARG  12          HB2       ARG  12  13.460   5.984   5.622
   95   2HB   ARG  12          HB3       ARG  12  15.230   6.080   5.593
   96   1HG   ARG  12          HG2       ARG  12  15.255   8.241   4.646
   97   2HG   ARG  12          HG3       ARG  12  13.569   8.158   4.128
   98   1HD   ARG  12          HD2       ARG  12  13.985   9.618   6.169
   99   2HD   ARG  12          HD3       ARG  12  12.729   8.385   6.297
  100    HE   ARG  12           HE       ARG  12  15.527   7.961   7.306
  101   1HH1  ARG  12          HH21      ARG  12  12.059   8.064   8.108
  102   2HH1  ARG  12          HH22      ARG  12  12.223   6.907   9.408
  103   1HH2  ARG  12          HH11      ARG  12  15.708   6.576   9.106
  104   2HH2  ARG  12          HH12      ARG  12  14.288   6.135  10.020
  105    H    MET  13           H        MET  13  13.175   3.518   4.362
  106    HA   MET  13           HA       MET  13  15.404   1.794   4.650
  107   1HB   MET  13          HB2       MET  13  13.133   1.345   5.531
  108   2HB   MET  13          HB3       MET  13  12.534   1.122   3.881
  109   1HG   MET  13          HG2       MET  13  14.038  -0.820   3.584
  110   2HG   MET  13          HG3       MET  13  14.719  -0.537   5.190
  111   1HE   MET  13          HE1       MET  13  10.842  -0.395   4.162
  112   2HE   MET  13          HE2       MET  13  11.575  -1.660   3.141
  113   3HE   MET  13          HE3       MET  13  10.432  -2.100   4.433
  114    H    GLN  14           H        GLN  14  13.248   2.406   1.841
  115    HA   GLN  14           HA       GLN  14  14.555   0.676   0.017
  116   1HB   GLN  14          HB2       GLN  14  12.327   1.806  -0.288
  117   2HB   GLN  14          HB3       GLN  14  13.189   3.313  -0.650
  118   1HG   GLN  14          HG2       GLN  14  14.398   2.097  -2.513
  119   2HG   GLN  14          HG3       GLN  14  13.374   0.689  -2.196
  120   1HE2  GLN  14          HE22      GLN  14  10.851   1.530  -1.960
  121   2HE2  GLN  14          HE21      GLN  14  10.364   2.498  -3.341
  122    H    GLU  15           H        GLU  15  15.151   4.131   0.834
  123    HA   GLU  15           HA       GLU  15  17.172   4.670  -1.023
  124   1HB   GLU  15          HB2       GLU  15  15.936   6.218   0.576
  125   2HB   GLU  15          HB3       GLU  15  17.127   5.779   1.807
  126   1HG   GLU  15          HG2       GLU  15  18.934   6.625   0.339
  127   2HG   GLU  15          HG3       GLU  15  17.734   7.036  -0.902
  128    H    LYS  16           H        LYS  16  17.466   3.436   2.338
  129    HA   LYS  16           HA       LYS  16  20.287   3.047   2.361
  130   1HB   LYS  16          HB2       LYS  16  18.053   1.605   3.838
  131   2HB   LYS  16          HB3       LYS  16  19.777   1.398   4.183
  132   1HG   LYS  16          HG2       LYS  16  20.023   3.742   4.762
  133   2HG   LYS  16          HG3       LYS  16  18.349   4.089   4.306
  134   1HD   LYS  16          HD2       LYS  16  17.556   2.456   6.035
  135   2HD   LYS  16          HD3       LYS  16  19.231   2.239   6.572
  136   1HE   LYS  16          HE2       LYS  16  17.656   4.864   6.578
  137   2HE   LYS  16          HE3       LYS  16  17.979   3.847   7.992
  138   1HZ   LYS  16          HZ1       LYS  16  20.318   4.230   7.655
  139   2HZ   LYS  16          HZ2       LYS  16  20.009   5.205   6.363
  140   3HZ   LYS  16          HZ3       LYS  16  19.509   5.649   7.867
  141    H    GLU  17           H        GLU  17  17.611   0.822   1.470
  142    HA   GLU  17           HA       GLU  17  19.134  -1.461   0.919
  143   1HB   GLU  17          HB2       GLU  17  16.649  -1.331   1.059
  144   2HB   GLU  17          HB3       GLU  17  16.615  -0.558  -0.534
  145   1HG   GLU  17          HG2       GLU  17  17.661  -2.569  -1.539
  146   2HG   GLU  17          HG3       GLU  17  17.716  -3.334   0.059
  147    H    ARG  18           H        ARG  18  18.083   1.052  -1.484
  148    HA   ARG  18           HA       ARG  18  19.679  -0.133  -3.556
  149   1HB   ARG  18          HB2       ARG  18  19.211   1.771  -4.900
  150   2HB   ARG  18          HB3       ARG  18  17.744   1.228  -4.069
  151   1HG   ARG  18          HG2       ARG  18  17.970   3.087  -2.459
  152   2HG   ARG  18          HG3       ARG  18  19.462   3.621  -3.241
  153   1HD   ARG  18          HD2       ARG  18  17.596   5.000  -3.925
  154   2HD   ARG  18          HD3       ARG  18  18.245   4.143  -5.309
  155    HE   ARG  18           HE       ARG  18  15.633   3.782  -3.945
  156   1HH1  ARG  18          HH21      ARG  18  17.805   2.512  -6.437
  157   2HH1  ARG  18          HH22      ARG  18  16.525   1.785  -7.366
  158   1HH2  ARG  18          HH11      ARG  18  13.956   2.838  -5.157
  159   2HH2  ARG  18          HH12      ARG  18  14.319   1.945  -6.608
  160    H    ASN  19           H        ASN  19  20.388   2.439  -1.174
  161    HA   ASN  19           HA       ASN  19  22.839   3.308  -2.273
  162   1HB   ASN  19          HB2       ASN  19  21.798   4.540  -0.474
  163   2HB   ASN  19          HB3       ASN  19  21.894   3.139   0.607
  164   1HD2  ASN  19          HD22      ASN  19  24.188   5.048  -1.484
  165   2HD2  ASN  19          HD21      ASN  19  25.421   5.119  -0.236
  166    H    LYS  20           H        LYS  20  22.189   0.597   0.029
  167    HA   LYS  20           HA       LYS  20  24.952  -0.291   0.055
  168   1HB   LYS  20          HB2       LYS  20  22.334  -1.735   0.613
  169   2HB   LYS  20          HB3       LYS  20  23.943  -2.457   0.821
  170   1HG   LYS  20          HG2       LYS  20  24.558  -0.589   2.371
  171   2HG   LYS  20          HG3       LYS  20  22.907   0.015   2.287
  172   1HD   LYS  20          HD2       LYS  20  23.830  -2.718   3.318
  173   2HD   LYS  20          HD3       LYS  20  23.288  -1.359   4.309
  174   1HE   LYS  20          HE2       LYS  20  21.577  -2.987   2.367
  175   2HE   LYS  20          HE3       LYS  20  21.509  -3.019   4.130
  176   1HZ   LYS  20          HZ1       LYS  20  20.836  -0.728   4.095
  177   2HZ   LYS  20          HZ2       LYS  20  20.889  -0.696   2.447
  178   3HZ   LYS  20          HZ3       LYS  20  19.793  -1.658   3.218
  179    H    GLY  21           H        GLY  21  22.058  -1.288  -1.834
  180   1HA   GLY  21          HA2       GLY  21  23.522  -3.180  -3.463
  181   2HA   GLY  21          HA3       GLY  21  21.853  -2.637  -3.664
  182    H    GLN  22           H        GLN  22  25.032  -0.961  -3.807
  183    HA   GLN  22           HA       GLN  22  24.369   0.113  -6.529
  184   1HB   GLN  22          HB2       GLN  22  26.430   0.922  -4.440
  185   2HB   GLN  22          HB3       GLN  22  26.450   1.495  -6.118
  186   1HG   GLN  22          HG2       GLN  22  24.190   2.436  -5.871
  187   2HG   GLN  22          HG3       GLN  22  24.122   1.874  -4.199
  188   1HE2  GLN  22          HE22      GLN  22  25.610   2.833  -2.622
  189   2HE2  GLN  22          HE21      GLN  22  26.320   4.417  -2.942
  Start of MODEL   11
    1   1H    PHE   1          H1        PHE   1   0.053   8.413  -1.410
    2   2H    PHE   1          H2        PHE   1  -0.841   8.482  -0.020
    3   3H    PHE   1          H3        PHE   1  -1.198   7.360  -1.162
    4    HA   PHE   1           HA       PHE   1   0.835   6.234  -0.819
    5   1HB   PHE   1          HB2       PHE   1   2.320   6.895   1.011
    6   2HB   PHE   1          HB3       PHE   1   2.226   8.133  -0.230
    7    HD1  PHE   1           HD1      PHE   1   1.314  10.341   0.255
    8    HD2  PHE   1           HD2      PHE   1   1.203   7.231   3.242
    9    HE1  PHE   1           HE1      PHE   1   0.649  12.003   1.969
   10    HE2  PHE   1           HE2      PHE   1   0.514   8.898   4.944
   11    HZ   PHE   1           HZ       PHE   1   0.241  11.283   4.312
   12    H    VAL   2           H        VAL   2   1.214   4.732   1.032
   13    HA   VAL   2           HA       VAL   2  -1.103   4.550   2.894
   14    HB   VAL   2           HB       VAL   2  -1.408   2.880   1.294
   15   1HG1  VAL   2          HG11      VAL   2   1.425   1.846   1.724
   16   2HG1  VAL   2          HG12      VAL   2   0.158   1.113   0.737
   17   3HG1  VAL   2          HG13      VAL   2   0.827   2.678   0.274
   18   1HG2  VAL   2          HG21      VAL   2  -0.173   1.624   3.774
   19   2HG2  VAL   2          HG22      VAL   2  -1.817   2.286   3.650
   20   3HG2  VAL   2          HG23      VAL   2  -1.354   0.874   2.684
   21    HA   PRO   3           HA       PRO   3   2.628   5.120   5.322
   22   1HB   PRO   3          HB2       PRO   3   1.592   6.082   7.649
   23   2HB   PRO   3          HB3       PRO   3   1.469   6.986   6.120
   24   1HG   PRO   3          HG2       PRO   3  -0.614   5.141   7.328
   25   2HG   PRO   3          HG3       PRO   3  -0.842   6.834   6.798
   26   1HD   PRO   3          HD2       PRO   3  -1.436   4.705   5.186
   27   2HD   PRO   3          HD3       PRO   3  -0.759   6.221   4.517
   28    H    ILE   4           H        ILE   4   2.226   2.522   4.966
   29    HA   ILE   4           HA       ILE   4   1.115   0.939   6.907
   30    HB   ILE   4           HB       ILE   4   3.323  -0.617   6.090
   31   1HG1  ILE   4          HG12      ILE   4   3.399  -0.395   3.668
   32   2HG1  ILE   4          HG13      ILE   4   2.465   1.093   3.726
   33   1HG2  ILE   4          HG21      ILE   4   0.997  -1.325   6.224
   34   2HG2  ILE   4          HG22      ILE   4   0.594  -0.341   4.801
   35   3HG2  ILE   4          HG23      ILE   4   1.699  -1.721   4.648
   36   1HD1  ILE   4          HD11      ILE   4   4.374   2.227   4.873
   37   2HD1  ILE   4          HD12      ILE   4   5.214   0.664   4.979
   38   3HD1  ILE   4          HD13      ILE   4   4.905   1.410   3.411
   39    H    PHE   5           H        PHE   5   4.518   1.833   6.857
   40    HA   PHE   5           HA       PHE   5   4.490   1.721   9.839
   41   1HB   PHE   5          HB2       PHE   5   6.806   0.981   9.897
   42   2HB   PHE   5          HB3       PHE   5   5.733  -0.235   9.234
   43    HD1  PHE   5           HD1      PHE   5   5.901  -0.959   6.895
   44    HD2  PHE   5           HD2      PHE   5   8.584   1.980   8.545
   45    HE1  PHE   5           HE1      PHE   5   7.463  -1.319   5.003
   46    HE2  PHE   5           HE2      PHE   5  10.147   1.612   6.648
   47    HZ   PHE   5           HZ       PHE   5   9.593  -0.041   4.885
   48    H    THR   6           H        THR   6   3.808   3.757   8.012
   49    HA   THR   6           HA       THR   6   4.059   6.000   7.952
   50    HB   THR   6           HB       THR   6   6.937   5.954   8.880
   51    HG1  THR   6           HG1      THR   6   5.994   4.956  10.498
   52   1HG2  THR   6          HG21      THR   6   4.698   8.000   9.142
   53   2HG2  THR   6          HG22      THR   6   6.366   8.182   9.716
   54   3HG2  THR   6          HG23      THR   6   6.040   8.080   7.976
   55    H    TYR   7           H        TYR   7   4.063   6.562   5.872
   56    HA   TYR   7           HA       TYR   7   5.475   5.296   3.845
   57   1HB   TYR   7          HB2       TYR   7   3.505   6.566   3.355
   58   2HB   TYR   7          HB3       TYR   7   4.241   8.067   3.925
   59    HD1  TYR   7           HD1      TYR   7   5.439   9.465   2.413
   60    HD2  TYR   7           HD2      TYR   7   4.670   5.357   1.351
   61    HE1  TYR   7           HE1      TYR   7   6.670   9.780   0.288
   62    HE2  TYR   7           HE2      TYR   7   5.866   5.687  -0.788
   63    HH   TYR   7           HH       TYR   7   6.994   7.176  -2.124
   64    H    GLY   8           H        GLY   8   6.401   8.224   5.603
   65   1HA   GLY   8          HA2       GLY   8   8.721   8.985   4.206
   66   2HA   GLY   8          HA3       GLY   8   8.493   9.147   5.957
   67    H    GLU   9           H        GLU   9   8.278   6.365   6.638
   68    HA   GLU   9           HA       GLU   9  11.121   5.728   6.729
   69   1HB   GLU   9          HB2       GLU   9   8.682   4.302   7.847
   70   2HB   GLU   9          HB3       GLU   9  10.361   3.799   8.067
   71   1HG   GLU   9          HG2       GLU   9  10.872   6.051   9.069
   72   2HG   GLU   9          HG3       GLU   9   9.161   6.456   8.990
   73    H    LEU  10           H        LEU  10   8.194   4.490   5.054
   74    HA   LEU  10           HA       LEU  10   9.483   2.270   3.804
   75   1HB   LEU  10          HB2       LEU  10   7.018   2.684   3.684
   76   2HB   LEU  10          HB3       LEU  10   7.325   4.075   2.639
   77    HG   LEU  10           HG       LEU  10   8.513   2.436   1.023
   78   1HD1  LEU  10          HD11      LEU  10   8.738   0.514   2.550
   79   2HD1  LEU  10          HD12      LEU  10   6.973   0.419   2.717
   80   3HD1  LEU  10          HD13      LEU  10   7.743   0.097   1.150
   81   1HD2  LEU  10          HD21      LEU  10   6.402   1.782  -0.017
   82   2HD2  LEU  10          HD22      LEU  10   5.515   2.239   1.450
   83   3HD2  LEU  10          HD23      LEU  10   6.385   3.469   0.517
   84    H    GLN  11           H        GLN  11   9.174   5.681   2.720
   85    HA   GLN  11           HA       GLN  11  10.687   5.355   0.355
   86   1HB   GLN  11          HB2       GLN  11   9.188   7.272   0.846
   87   2HB   GLN  11          HB3       GLN  11  10.327   7.851   2.070
   88   1HG   GLN  11          HG2       GLN  11  10.607   9.096  -0.018
   89   2HG   GLN  11          HG3       GLN  11  12.057   8.159   0.333
   90   1HE2  GLN  11          HE22      GLN  11   8.982   8.043  -1.618
   91   2HE2  GLN  11          HE21      GLN  11   9.747   7.183  -2.942
   92    H    ARG  12           H        ARG  12  11.707   6.389   3.655
   93    HA   ARG  12           HA       ARG  12  14.450   6.705   3.198
   94   1HB   ARG  12          HB2       ARG  12  13.274   7.180   5.339
   95   2HB   ARG  12          HB3       ARG  12  13.085   5.441   5.592
   96   1HG   ARG  12          HG2       ARG  12  15.639   5.248   5.548
   97   2HG   ARG  12          HG3       ARG  12  15.686   7.017   5.508
   98   1HD   ARG  12          HD2       ARG  12  15.921   6.217   7.824
   99   2HD   ARG  12          HD3       ARG  12  14.372   7.066   7.625
  100    HE   ARG  12           HE       ARG  12  14.254   4.173   7.185
  101   1HH1  ARG  12          HH11      ARG  12  14.069   6.668   9.689
  102   2HH1  ARG  12          HH12      ARG  12  12.979   5.752  10.699
  103   1HH2  ARG  12          HH21      ARG  12  12.869   2.970   8.522
  104   2HH2  ARG  12          HH22      ARG  12  12.196   3.681   9.969
  105    H    MET  13           H        MET  13  12.712   3.642   4.068
  106    HA   MET  13           HA       MET  13  14.958   1.939   3.959
  107   1HB   MET  13          HB2       MET  13  12.848   1.328   4.952
  108   2HB   MET  13          HB3       MET  13  12.011   1.390   3.408
  109   1HG   MET  13          HG2       MET  13  14.317  -0.500   4.025
  110   2HG   MET  13          HG3       MET  13  12.622  -0.905   4.295
  111   1HE   MET  13          HE1       MET  13  10.811  -1.170   2.377
  112   2HE   MET  13          HE2       MET  13  11.231   0.364   1.566
  113   3HE   MET  13          HE3       MET  13  11.209  -1.148   0.645
  114    H    GLN  14           H        GLN  14  12.602   2.786   1.391
  115    HA   GLN  14           HA       GLN  14  13.694   1.318  -0.707
  116   1HB   GLN  14          HB2       GLN  14  11.526   2.519  -0.733
  117   2HB   GLN  14          HB3       GLN  14  12.379   4.067  -0.870
  118   1HG   GLN  14          HG2       GLN  14  13.305   3.425  -3.037
  119   2HG   GLN  14          HG3       GLN  14  12.633   1.788  -2.856
  120   1HE2  GLN  14          HE22      GLN  14  11.409   5.228  -2.672
  121   2HE2  GLN  14          HE21      GLN  14   9.980   4.850  -3.633
  122    H    GLU  15           H        GLU  15  14.632   4.624   0.382
  123    HA   GLU  15           HA       GLU  15  16.697   4.988  -1.589
  124   1HB   GLU  15          HB2       GLU  15  16.330   6.168   1.193
  125   2HB   GLU  15          HB3       GLU  15  17.595   6.652   0.059
  126   1HG   GLU  15          HG2       GLU  15  15.952   7.400  -1.574
  127   2HG   GLU  15          HG3       GLU  15  14.616   6.784  -0.596
  128    H    LYS  16           H        LYS  16  16.781   3.711   1.784
  129    HA   LYS  16           HA       LYS  16  19.568   3.252   1.868
  130   1HB   LYS  16          HB2       LYS  16  17.299   1.826   3.294
  131   2HB   LYS  16          HB3       LYS  16  18.999   1.532   3.642
  132   1HG   LYS  16          HG2       LYS  16  17.745   4.304   3.832
  133   2HG   LYS  16          HG3       LYS  16  17.808   3.158   5.176
  134   1HD   LYS  16          HD2       LYS  16  20.298   3.087   4.994
  135   2HD   LYS  16          HD3       LYS  16  20.231   4.297   3.698
  136   1HE   LYS  16          HE2       LYS  16  19.119   5.897   5.235
  137   2HE   LYS  16          HE3       LYS  16  19.220   4.702   6.546
  138   1HZ   LYS  16          HZ1       LYS  16  21.503   5.870   5.114
  139   2HZ   LYS  16          HZ2       LYS  16  21.002   6.274   6.631
  140   3HZ   LYS  16          HZ3       LYS  16  21.597   4.766   6.333
  141    H    GLU  17           H        GLU  17  17.005   1.168   0.447
  142    HA   GLU  17           HA       GLU  17  18.660  -1.051  -0.082
  143   1HB   GLU  17          HB2       GLU  17  16.573   0.080  -1.990
  144   2HB   GLU  17          HB3       GLU  17  17.268  -1.542  -2.016
  145   1HG   GLU  17          HG2       GLU  17  15.441  -0.382   0.109
  146   2HG   GLU  17          HG3       GLU  17  15.101  -1.699  -1.001
  147    H    ARG  18           H        ARG  18  18.699   2.112  -1.762
  148    HA   ARG  18           HA       ARG  18  20.446   1.152  -3.894
  149   1HB   ARG  18          HB2       ARG  18  19.772   3.957  -2.906
  150   2HB   ARG  18          HB3       ARG  18  20.971   3.617  -4.145
  151   1HG   ARG  18          HG2       ARG  18  18.912   4.215  -5.209
  152   2HG   ARG  18          HG3       ARG  18  19.308   2.529  -5.572
  153   1HD   ARG  18          HD2       ARG  18  17.653   1.767  -3.925
  154   2HD   ARG  18          HD3       ARG  18  17.289   3.451  -3.474
  155    HE   ARG  18           HE       ARG  18  16.884   3.298  -6.220
  156   1HH1  ARG  18          HH21      ARG  18  15.517   1.829  -3.304
  157   2HH1  ARG  18          HH22      ARG  18  14.187   1.069  -4.148
  158   1HH2  ARG  18          HH11      ARG  18  14.988   2.553  -7.268
  159   2HH2  ARG  18          HH12      ARG  18  13.778   1.658  -6.390
  160    H    ASN  19           H        ASN  19  20.866   2.630  -0.676
  161    HA   ASN  19           HA       ASN  19  23.699   2.947  -0.808
  162   1HB   ASN  19          HB2       ASN  19  22.116   3.921   0.915
  163   2HB   ASN  19          HB3       ASN  19  22.111   2.344   1.711
  164   1HD2  ASN  19          HD22      ASN  19  25.223   2.103   0.858
  165   2HD2  ASN  19          HD21      ASN  19  25.933   3.113   2.096
  166    H    LYS  20           H        LYS  20  21.617   0.222   0.269
  167    HA   LYS  20           HA       LYS  20  23.739  -1.556   1.023
  168   1HB   LYS  20          HB2       LYS  20  20.940  -2.143  -0.027
  169   2HB   LYS  20          HB3       LYS  20  22.032  -3.342   0.675
  170   1HG   LYS  20          HG2       LYS  20  22.031  -2.182   2.827
  171   2HG   LYS  20          HG3       LYS  20  21.046  -0.870   2.163
  172   1HD   LYS  20          HD2       LYS  20  19.247  -2.550   1.621
  173   2HD   LYS  20          HD3       LYS  20  20.202  -3.789   2.451
  174   1HE   LYS  20          HE2       LYS  20  20.056  -2.506   4.560
  175   2HE   LYS  20          HE3       LYS  20  19.207  -1.189   3.723
  176   1HZ   LYS  20          HZ1       LYS  20  17.428  -2.673   3.253
  177   2HZ   LYS  20          HZ2       LYS  20  18.197  -3.928   4.002
  178   3HZ   LYS  20          HZ3       LYS  20  17.703  -2.621   4.879
  179    H    GLY  21           H        GLY  21  21.957  -1.097  -2.059
  180   1HA   GLY  21          HA2       GLY  21  23.234  -3.020  -3.641
  181   2HA   GLY  21          HA3       GLY  21  22.566  -1.489  -4.227
  182    H    GLN  22           H        GLN  22  24.241   0.379  -2.982
  183    HA   GLN  22           HA       GLN  22  27.025  -0.322  -3.333
  184   1HB   GLN  22          HB2       GLN  22  27.480   1.389  -5.066
  185   2HB   GLN  22          HB3       GLN  22  26.647  -0.036  -5.671
  186   1HG   GLN  22          HG2       GLN  22  25.092   2.501  -4.981
  187   2HG   GLN  22          HG3       GLN  22  25.946   2.304  -6.505
  188   1HE2  GLN  22          HE22      GLN  22  23.110   1.252  -4.678
  189   2HE2  GLN  22          HE21      GLN  22  22.401   0.389  -6.040
  Start of MODEL   12
    1   1H    PHE   1          H1        PHE   1  -3.051   6.124  -1.367
    2   2H    PHE   1          H2        PHE   1  -3.042   7.700  -1.864
    3   3H    PHE   1          H3        PHE   1  -4.139   7.186  -0.737
    4    HA   PHE   1           HA       PHE   1  -1.249   7.263  -0.362
    5   1HB   PHE   1          HB2       PHE   1  -2.277   9.501  -0.472
    6   2HB   PHE   1          HB3       PHE   1  -3.415   9.054   0.792
    7    HD1  PHE   1           HD1      PHE   1   0.064  10.003   0.028
    8    HD2  PHE   1           HD2      PHE   1  -2.659   8.794   3.147
    9    HE1  PHE   1           HE1      PHE   1   1.671  10.794   1.743
   10    HE2  PHE   1           HE2      PHE   1  -1.029   9.551   4.857
   11    HZ   PHE   1           HZ       PHE   1   1.129  10.565   4.159
   12    H    VAL   2           H        VAL   2  -0.631   5.729   1.086
   13    HA   VAL   2           HA       VAL   2  -2.404   5.066   3.360
   14    HB   VAL   2           HB       VAL   2  -2.948   3.430   1.756
   15   1HG1  VAL   2          HG11      VAL   2  -0.923   3.478   0.299
   16   2HG1  VAL   2          HG12      VAL   2  -0.049   2.538   1.529
   17   3HG1  VAL   2          HG13      VAL   2  -1.468   1.856   0.737
   18   1HG2  VAL   2          HG21      VAL   2  -2.813   2.746   4.097
   19   2HG2  VAL   2          HG22      VAL   2  -2.402   1.400   3.019
   20   3HG2  VAL   2          HG23      VAL   2  -1.118   2.265   3.888
   21    HA   PRO   3           HA       PRO   3   1.842   5.816   4.819
   22   1HB   PRO   3          HB2       PRO   3   1.311   6.622   7.361
   23   2HB   PRO   3          HB3       PRO   3   0.884   7.621   5.948
   24   1HG   PRO   3          HG2       PRO   3  -0.913   5.721   7.478
   25   2HG   PRO   3          HG3       PRO   3  -1.232   7.433   7.070
   26   1HD   PRO   3          HD2       PRO   3  -2.160   5.347   5.562
   27   2HD   PRO   3          HD3       PRO   3  -1.674   6.897   4.810
   28    H    ILE   4           H        ILE   4   1.511   3.307   4.351
   29    HA   ILE   4           HA       ILE   4   0.723   1.431   6.137
   30    HB   ILE   4           HB       ILE   4   3.009   0.205   5.007
   31   1HG1  ILE   4          HG12      ILE   4   2.968   0.725   2.651
   32   2HG1  ILE   4          HG13      ILE   4   1.885   2.083   2.900
   33   1HG2  ILE   4          HG21      ILE   4   0.222   0.380   3.843
   34   2HG2  ILE   4          HG22      ILE   4   1.438  -0.870   3.520
   35   3HG2  ILE   4          HG23      ILE   4   0.749  -0.712   5.143
   36   1HD1  ILE   4          HD11      ILE   4   4.247   2.716   2.513
   37   2HD1  ILE   4          HD12      ILE   4   3.696   3.315   4.068
   38   3HD1  ILE   4          HD13      ILE   4   4.729   1.863   3.992
   39    H    PHE   5           H        PHE   5   4.030   2.550   5.913
   40    HA   PHE   5           HA       PHE   5   4.496   1.754   8.779
   41   1HB   PHE   5          HB2       PHE   5   6.665   2.047   6.700
   42   2HB   PHE   5          HB3       PHE   5   6.747   1.244   8.261
   43    HD1  PHE   5           HD1      PHE   5   4.531  -0.647   8.291
   44    HD2  PHE   5           HD2      PHE   5   7.051   0.501   4.977
   45    HE1  PHE   5           HE1      PHE   5   3.930  -2.732   7.102
   46    HE2  PHE   5           HE2      PHE   5   6.434  -1.579   3.793
   47    HZ   PHE   5           HZ       PHE   5   4.868  -3.196   4.843
   48    H    THR   6           H        THR   6   3.363   4.222   7.458
   49    HA   THR   6           HA       THR   6   3.601   6.479   7.404
   50    HB   THR   6           HB       THR   6   5.823   6.179   9.470
   51    HG1  THR   6           HG1      THR   6   3.764   5.207   9.989
   52   1HG2  THR   6          HG21      THR   6   3.966   8.495   8.772
   53   2HG2  THR   6          HG22      THR   6   5.719   8.434   8.461
   54   3HG2  THR   6          HG23      THR   6   5.112   8.441  10.125
   55    H    TYR   7           H        TYR   7   4.174   6.600   5.302
   56    HA   TYR   7           HA       TYR   7   5.952   5.689   3.745
   57   1HB   TYR   7          HB2       TYR   7   5.078   8.583   3.794
   58   2HB   TYR   7          HB3       TYR   7   6.101   7.954   2.509
   59    HD1  TYR   7           HD1      TYR   7   5.372   5.887   1.201
   60    HD2  TYR   7           HD2      TYR   7   2.683   8.264   3.593
   61    HE1  TYR   7           HE1      TYR   7   3.468   5.078  -0.144
   62    HE2  TYR   7           HE2      TYR   7   0.773   7.438   2.247
   63    HH   TYR   7           HH       TYR   7   1.220   5.219  -0.520
   64    H    GLY   8           H        GLY   8   7.006   8.583   5.512
   65   1HA   GLY   8          HA2       GLY   8   9.559   9.010   4.621
   66   2HA   GLY   8          HA3       GLY   8   9.108   9.124   6.328
   67    H    GLU   9           H        GLU   9   8.623   6.415   6.938
   68    HA   GLU   9           HA       GLU   9  11.289   5.452   7.428
   69   1HB   GLU   9          HB2       GLU   9   8.640   3.942   7.553
   70   2HB   GLU   9          HB3       GLU   9  10.159   3.474   8.324
   71   1HG   GLU   9          HG2       GLU   9   8.470   5.933   9.010
   72   2HG   GLU   9          HG3       GLU   9   8.614   4.453   9.949
   73    H    LEU  10           H        LEU  10   8.748   4.531   5.091
   74    HA   LEU  10           HA       LEU  10  10.172   2.284   3.998
   75   1HB   LEU  10          HB2       LEU  10   7.742   2.493   3.781
   76   2HB   LEU  10          HB3       LEU  10   7.916   3.993   2.870
   77    HG   LEU  10           HG       LEU  10   9.017   2.808   1.021
   78   1HD1  LEU  10          HD11      LEU  10  10.107   0.933   2.176
   79   2HD1  LEU  10          HD12      LEU  10   8.528   0.300   2.696
   80   3HD1  LEU  10          HD13      LEU  10   8.975   0.306   0.978
   81   1HD2  LEU  10          HD21      LEU  10   7.045   1.607   0.223
   82   2HD2  LEU  10          HD22      LEU  10   6.399   1.516   1.875
   83   3HD2  LEU  10          HD23      LEU  10   6.565   3.091   1.064
   84    H    GLN  11           H        GLN  11   9.828   5.748   3.091
   85    HA   GLN  11           HA       GLN  11  11.474   5.512   0.763
   86   1HB   GLN  11          HB2       GLN  11  11.144   8.039   2.424
   87   2HB   GLN  11          HB3       GLN  11  11.600   7.894   0.725
   88   1HG   GLN  11          HG2       GLN  11   8.900   7.675   2.003
   89   2HG   GLN  11          HG3       GLN  11   9.370   8.506   0.530
   90   1HE2  GLN  11          HE22      GLN  11  10.363   6.699  -1.178
   91   2HE2  GLN  11          HE21      GLN  11   9.403   5.232  -1.290
   92    H    ARG  12           H        ARG  12  12.351   6.326   4.160
   93    HA   ARG  12           HA       ARG  12  15.109   6.672   3.636
   94   1HB   ARG  12          HB2       ARG  12  13.982   7.213   5.784
   95   2HB   ARG  12          HB3       ARG  12  13.873   5.477   6.146
   96   1HG   ARG  12          HG2       ARG  12  16.350   5.299   6.052
   97   2HG   ARG  12          HG3       ARG  12  16.464   7.001   5.579
   98   1HD   ARG  12          HD2       ARG  12  17.004   6.734   7.922
   99   2HD   ARG  12          HD3       ARG  12  15.545   7.693   7.769
  100    HE   ARG  12           HE       ARG  12  15.854   4.892   8.740
  101   1HH1  ARG  12          HH11      ARG  12  13.570   7.518   8.063
  102   2HH1  ARG  12          HH12      ARG  12  12.361   6.931   9.171
  103   1HH2  ARG  12          HH21      ARG  12  14.257   4.075  10.105
  104   2HH2  ARG  12          HH22      ARG  12  12.733   4.897  10.303
  105    H    MET  13           H        MET  13  13.264   3.663   4.401
  106    HA   MET  13           HA       MET  13  15.464   1.879   4.263
  107   1HB   MET  13          HB2       MET  13  12.512   1.501   3.652
  108   2HB   MET  13          HB3       MET  13  13.669   0.181   3.582
  109   1HG   MET  13          HG2       MET  13  13.249   1.926   6.039
  110   2HG   MET  13          HG3       MET  13  12.407   0.405   5.760
  111   1HE   MET  13          HE1       MET  13  14.728  -1.539   4.602
  112   2HE   MET  13          HE2       MET  13  15.233  -2.247   6.148
  113   3HE   MET  13          HE3       MET  13  13.508  -1.955   5.832
  114    H    GLN  14           H        GLN  14  13.270   2.944   1.594
  115    HA   GLN  14           HA       GLN  14  14.581   1.484  -0.453
  116   1HB   GLN  14          HB2       GLN  14  13.095   4.145  -0.581
  117   2HB   GLN  14          HB3       GLN  14  13.689   3.264  -1.993
  118   1HG   GLN  14          HG2       GLN  14  12.310   1.287  -1.338
  119   2HG   GLN  14          HG3       GLN  14  11.648   2.209   0.011
  120   1HE2  GLN  14          HE22      GLN  14  12.037   2.307  -3.574
  121   2HE2  GLN  14          HE21      GLN  14  10.531   3.162  -3.858
  122    H    GLU  15           H        GLU  15  15.242   4.831   0.712
  123    HA   GLU  15           HA       GLU  15  17.391   5.354  -1.068
  124   1HB   GLU  15          HB2       GLU  15  16.803   6.353   1.751
  125   2HB   GLU  15          HB3       GLU  15  18.159   6.944   0.788
  126   1HG   GLU  15          HG2       GLU  15  15.240   7.091  -0.097
  127   2HG   GLU  15          HG3       GLU  15  16.153   8.415   0.637
  128    H    LYS  16           H        LYS  16  17.471   3.909   2.229
  129    HA   LYS  16           HA       LYS  16  20.269   3.518   2.361
  130   1HB   LYS  16          HB2       LYS  16  18.782   3.324   4.275
  131   2HB   LYS  16          HB3       LYS  16  17.976   1.924   3.552
  132   1HG   LYS  16          HG2       LYS  16  20.023   0.583   3.745
  133   2HG   LYS  16          HG3       LYS  16  20.939   2.001   4.265
  134   1HD   LYS  16          HD2       LYS  16  20.326   0.490   6.150
  135   2HD   LYS  16          HD3       LYS  16  19.737   2.143   6.350
  136   1HE   LYS  16          HE2       LYS  16  18.067   0.411   7.021
  137   2HE   LYS  16          HE3       LYS  16  17.470   1.504   5.773
  138   1HZ   LYS  16          HZ1       LYS  16  18.512  -1.208   5.321
  139   2HZ   LYS  16          HZ2       LYS  16  16.928  -0.744   5.292
  140   3HZ   LYS  16          HZ3       LYS  16  17.968  -0.184   4.147
  141    H    GLU  17           H        GLU  17  17.692   1.308   1.179
  142    HA   GLU  17           HA       GLU  17  19.331  -0.864   0.413
  143   1HB   GLU  17          HB2       GLU  17  16.690   0.184  -0.663
  144   2HB   GLU  17          HB3       GLU  17  17.408  -1.339  -1.200
  145   1HG   GLU  17          HG2       GLU  17  17.207  -2.355   0.930
  146   2HG   GLU  17          HG3       GLU  17  16.968  -0.819   1.763
  147    H    ARG  18           H        ARG  18  18.301   2.019  -1.509
  148    HA   ARG  18           HA       ARG  18  19.731   1.228  -3.831
  149   1HB   ARG  18          HB2       ARG  18  18.771   3.913  -2.802
  150   2HB   ARG  18          HB3       ARG  18  19.637   3.799  -4.327
  151   1HG   ARG  18          HG2       ARG  18  17.178   2.075  -3.853
  152   2HG   ARG  18          HG3       ARG  18  17.035   3.780  -4.275
  153   1HD   ARG  18          HD2       ARG  18  16.853   2.640  -6.307
  154   2HD   ARG  18          HD3       ARG  18  18.441   3.378  -6.343
  155    HE   ARG  18           HE       ARG  18  17.694   0.516  -6.152
  156   1HH1  ARG  18          HH21      ARG  18  20.439   2.813  -6.112
  157   2HH1  ARG  18          HH22      ARG  18  21.602   1.513  -6.312
  158   1HH2  ARG  18          HH11      ARG  18  19.310  -1.071  -6.592
  159   2HH2  ARG  18          HH12      ARG  18  20.995  -0.557  -6.617
  160    H    ASN  19           H        ASN  19  20.705   3.253  -1.068
  161    HA   ASN  19           HA       ASN  19  23.268   4.017  -2.099
  162   1HB   ASN  19          HB2       ASN  19  22.086   3.886   0.691
  163   2HB   ASN  19          HB3       ASN  19  23.811   4.165   0.458
  164   1HD2  ASN  19          HD22      ASN  19  20.623   5.461  -0.621
  165   2HD2  ASN  19          HD21      ASN  19  21.212   7.111  -0.797
  166    H    LYS  20           H        LYS  20  22.202   1.136  -0.256
  167    HA   LYS  20           HA       LYS  20  24.825  -0.054  -0.143
  168   1HB   LYS  20          HB2       LYS  20  22.858  -0.719   1.226
  169   2HB   LYS  20          HB3       LYS  20  22.101  -1.424  -0.211
  170   1HG   LYS  20          HG2       LYS  20  24.139  -2.913  -0.462
  171   2HG   LYS  20          HG3       LYS  20  24.737  -2.281   1.073
  172   1HD   LYS  20          HD2       LYS  20  22.145  -3.829   0.570
  173   2HD   LYS  20          HD3       LYS  20  23.594  -4.446   1.365
  174   1HE   LYS  20          HE2       LYS  20  21.704  -2.293   2.427
  175   2HE   LYS  20          HE3       LYS  20  21.905  -3.938   3.035
  176   1HZ   LYS  20          HZ1       LYS  20  24.158  -3.388   3.622
  177   2HZ   LYS  20          HZ2       LYS  20  23.958  -1.844   3.081
  178   3HZ   LYS  20          HZ3       LYS  20  23.088  -2.383   4.370
  179    H    GLY  21           H        GLY  21  22.054  -0.558  -2.370
  180   1HA   GLY  21          HA2       GLY  21  23.478  -2.298  -4.173
  181   2HA   GLY  21          HA3       GLY  21  21.852  -1.627  -4.360
  182    H    GLN  22           H        GLN  22  25.189  -0.388  -4.258
  183    HA   GLN  22           HA       GLN  22  24.888   1.784  -6.070
  184   1HB   GLN  22          HB2       GLN  22  27.267   0.050  -5.305
  185   2HB   GLN  22          HB3       GLN  22  27.418   1.538  -6.250
  186   1HG   GLN  22          HG2       GLN  22  26.957   2.920  -4.469
  187   2HG   GLN  22          HG3       GLN  22  25.871   1.775  -3.693
  188   1HE2  GLN  22          HE22      GLN  22  26.782  -0.071  -2.485
  189   2HE2  GLN  22          HE21      GLN  22  28.408   0.093  -1.831
  Start of MODEL   13
    1   1H    PHE   1          H1        PHE   1   2.852   8.426  -2.273
    2   2H    PHE   1          H2        PHE   1   1.422   7.602  -2.375
    3   3H    PHE   1          H3        PHE   1   2.832   6.778  -2.174
    4    HA   PHE   1           HA       PHE   1   3.149   7.698  -0.030
    5   1HB   PHE   1          HB2       PHE   1   2.036   9.850  -0.526
    6   2HB   PHE   1          HB3       PHE   1   0.471   9.047  -0.522
    7    HD1  PHE   1           HD1      PHE   1  -0.476   8.134   1.625
    8    HD2  PHE   1           HD2      PHE   1   3.136  10.480   1.521
    9    HE1  PHE   1           HE1      PHE   1  -0.564   8.384   4.090
   10    HE2  PHE   1           HE2      PHE   1   3.052  10.715   3.989
   11    HZ   PHE   1           HZ       PHE   1   1.218   9.644   5.280
   12    H    VAL   2           H        VAL   2   2.854   5.920   1.255
   13    HA   VAL   2           HA       VAL   2   0.197   4.613   1.349
   14    HB   VAL   2           HB       VAL   2   1.371   2.399   1.404
   15   1HG1  VAL   2          HG11      VAL   2   1.410   3.917  -1.237
   16   2HG1  VAL   2          HG12      VAL   2   1.311   2.161  -1.020
   17   3HG1  VAL   2          HG13      VAL   2  -0.025   3.189  -0.484
   18   1HG2  VAL   2          HG21      VAL   2   3.462   2.158   0.147
   19   2HG2  VAL   2          HG22      VAL   2   3.623   3.913  -0.007
   20   3HG2  VAL   2          HG23      VAL   2   3.742   3.134   1.585
   21    HA   PRO   3           HA       PRO   3   1.668   5.135   5.632
   22   1HB   PRO   3          HB2       PRO   3  -0.728   5.258   6.890
   23   2HB   PRO   3          HB3       PRO   3  -0.125   6.616   5.897
   24   1HG   PRO   3          HG2       PRO   3  -2.134   4.493   5.120
   25   2HG   PRO   3          HG3       PRO   3  -2.221   6.250   4.830
   26   1HD   PRO   3          HD2       PRO   3  -1.338   4.372   2.980
   27   2HD   PRO   3          HD3       PRO   3  -0.820   6.082   2.961
   28    H    ILE   4           H        ILE   4   2.616   3.264   6.104
   29    HA   ILE   4           HA       ILE   4   0.909   0.996   6.947
   30    HB   ILE   4           HB       ILE   4   3.239  -0.260   6.076
   31   1HG1  ILE   4          HG12      ILE   4   3.419   0.276   3.672
   32   2HG1  ILE   4          HG13      ILE   4   2.420   1.703   3.879
   33   1HG2  ILE   4          HG21      ILE   4   0.944  -1.088   5.923
   34   2HG2  ILE   4          HG22      ILE   4   0.599   0.067   4.617
   35   3HG2  ILE   4          HG23      ILE   4   1.776  -1.239   4.370
   36   1HD1  ILE   4          HD11      ILE   4   4.261   2.699   5.320
   37   2HD1  ILE   4          HD12      ILE   4   5.175   1.192   5.100
   38   3HD1  ILE   4          HD13      ILE   4   4.807   2.241   3.723
   39    H    PHE   5           H        PHE   5   4.359   1.738   7.040
   40    HA   PHE   5           HA       PHE   5   4.179   1.805  10.033
   41   1HB   PHE   5          HB2       PHE   5   6.497   1.039  10.117
   42   2HB   PHE   5          HB3       PHE   5   5.395  -0.171   9.492
   43    HD1  PHE   5           HD1      PHE   5   5.480  -0.899   7.131
   44    HD2  PHE   5           HD2      PHE   5   8.307   1.931   8.740
   45    HE1  PHE   5           HE1      PHE   5   7.038  -1.389   5.266
   46    HE2  PHE   5           HE2      PHE   5   9.875   1.412   6.888
   47    HZ   PHE   5           HZ       PHE   5   9.255  -0.270   5.169
   48    H    THR   6           H        THR   6   3.571   3.817   8.191
   49    HA   THR   6           HA       THR   6   3.860   6.061   8.034
   50    HB   THR   6           HB       THR   6   6.720   5.987   9.016
   51    HG1  THR   6           HG1      THR   6   5.757   5.062  10.654
   52   1HG2  THR   6          HG21      THR   6   6.182   8.248   9.773
   53   2HG2  THR   6          HG22      THR   6   5.874   8.100   8.034
   54   3HG2  THR   6          HG23      THR   6   4.517   8.081   9.188
   55    H    TYR   7           H        TYR   7   3.884   6.466   5.901
   56    HA   TYR   7           HA       TYR   7   5.277   5.224   3.910
   57   1HB   TYR   7          HB2       TYR   7   3.454   6.753   3.406
   58   2HB   TYR   7          HB3       TYR   7   4.341   8.103   4.097
   59    HD1  TYR   7           HD1      TYR   7   5.105   5.422   1.530
   60    HD2  TYR   7           HD2      TYR   7   5.250   9.608   2.565
   61    HE1  TYR   7           HE1      TYR   7   6.323   5.905  -0.567
   62    HE2  TYR   7           HE2      TYR   7   6.375  10.095   0.416
   63    HH   TYR   7           HH       TYR   7   7.603   7.542  -1.676
   64    H    GLY   8           H        GLY   8   6.318   8.175   5.576
   65   1HA   GLY   8          HA2       GLY   8   8.690   8.762   4.246
   66   2HA   GLY   8          HA3       GLY   8   8.422   9.047   5.973
   67    H    GLU   9           H        GLU   9   8.161   6.284   6.807
   68    HA   GLU   9           HA       GLU   9  11.007   5.708   7.082
   69   1HB   GLU   9          HB2       GLU   9   8.521   4.307   8.133
   70   2HB   GLU   9          HB3       GLU   9  10.184   3.809   8.455
   71   1HG   GLU   9          HG2       GLU   9  10.646   6.132   9.362
   72   2HG   GLU   9          HG3       GLU   9   8.926   6.485   9.229
   73    H    LEU  10           H        LEU  10   8.193   4.268   5.362
   74    HA   LEU  10           HA       LEU  10   9.665   2.044   4.299
   75   1HB   LEU  10          HB2       LEU  10   7.265   2.066   4.095
   76   2HB   LEU  10          HB3       LEU  10   7.295   3.577   3.177
   77    HG   LEU  10           HG       LEU  10   8.485   2.445   1.312
   78   1HD1  LEU  10          HD11      LEU  10   8.043  -0.096   2.946
   79   2HD1  LEU  10          HD12      LEU  10   8.579  -0.035   1.257
   80   3HD1  LEU  10          HD13      LEU  10   9.623   0.607   2.527
   81   1HD2  LEU  10          HD21      LEU  10   5.921   1.033   2.101
   82   2HD2  LEU  10          HD22      LEU  10   6.037   2.633   1.326
   83   3HD2  LEU  10          HD23      LEU  10   6.599   1.187   0.472
   84    H    GLN  11           H        GLN  11   9.142   5.371   3.046
   85    HA   GLN  11           HA       GLN  11  10.607   4.939   0.692
   86   1HB   GLN  11          HB2       GLN  11   8.996   6.852   1.262
   87   2HB   GLN  11          HB3       GLN  11  10.334   7.631   2.115
   88   1HG   GLN  11          HG2       GLN  11  10.044   8.491  -0.190
   89   2HG   GLN  11          HG3       GLN  11  11.623   7.715   0.000
   90   1HE2  GLN  11          HE22      GLN  11  12.162   6.162  -1.511
   91   2HE2  GLN  11          HE21      GLN  11  10.987   5.250  -2.466
   92    H    ARG  12           H        ARG  12  11.669   6.314   3.826
   93    HA   ARG  12           HA       ARG  12  14.406   6.667   3.368
   94   1HB   ARG  12          HB2       ARG  12  13.220   7.254   5.449
   95   2HB   ARG  12          HB3       ARG  12  12.980   5.542   5.796
   96   1HG   ARG  12          HG2       ARG  12  15.534   5.297   5.877
   97   2HG   ARG  12          HG3       ARG  12  15.613   7.063   5.740
   98   1HD   ARG  12          HD2       ARG  12  15.729   6.403   8.098
   99   2HD   ARG  12          HD3       ARG  12  14.192   7.241   7.785
  100    HE   ARG  12           HE       ARG  12  14.034   4.345   7.484
  101   1HH1  ARG  12          HH11      ARG  12  13.909   6.936   9.892
  102   2HH1  ARG  12          HH12      ARG  12  12.841   6.064  10.962
  103   1HH2  ARG  12          HH21      ARG  12  12.681   3.197   8.897
  104   2HH2  ARG  12          HH22      ARG  12  12.040   3.960  10.333
  105    H    MET  13           H        MET  13  12.725   3.634   4.421
  106    HA   MET  13           HA       MET  13  14.989   1.982   4.416
  107   1HB   MET  13          HB2       MET  13  12.860   1.408   5.431
  108   2HB   MET  13          HB3       MET  13  12.083   1.240   3.855
  109   1HG   MET  13          HG2       MET  13  14.504  -0.413   4.626
  110   2HG   MET  13          HG3       MET  13  12.860  -0.869   5.082
  111   1HE   MET  13          HE1       MET  13  13.718  -3.470   2.323
  112   2HE   MET  13          HE2       MET  13  14.834  -2.763   3.516
  113   3HE   MET  13          HE3       MET  13  13.184  -3.228   4.002
  114    H    GLN  14           H        GLN  14  12.700   2.646   1.690
  115    HA   GLN  14           HA       GLN  14  14.035   1.080  -0.257
  116   1HB   GLN  14          HB2       GLN  14  12.687   3.772  -0.712
  117   2HB   GLN  14          HB3       GLN  14  13.195   2.612  -1.942
  118   1HG   GLN  14          HG2       GLN  14  11.605   0.959  -1.175
  119   2HG   GLN  14          HG3       GLN  14  11.096   2.013   0.153
  120   1HE2  GLN  14          HE22      GLN  14   8.890   1.867  -0.789
  121   2HE2  GLN  14          HE21      GLN  14   8.498   2.922  -2.135
  122    H    GLU  15           H        GLU  15  14.691   4.518   0.712
  123    HA   GLU  15           HA       GLU  15  16.837   4.885  -1.111
  124   1HB   GLU  15          HB2       GLU  15  16.763   6.116   1.675
  125   2HB   GLU  15          HB3       GLU  15  17.628   6.676   0.246
  126   1HG   GLU  15          HG2       GLU  15  14.705   6.909   0.890
  127   2HG   GLU  15          HG3       GLU  15  15.832   8.140   0.354
  128    H    LYS  16           H        LYS  16  16.924   3.564   2.231
  129    HA   LYS  16           HA       LYS  16  19.749   3.146   2.298
  130   1HB   LYS  16          HB2       LYS  16  17.556   1.509   3.632
  131   2HB   LYS  16          HB3       LYS  16  19.273   1.426   4.016
  132   1HG   LYS  16          HG2       LYS  16  17.542   3.915   4.354
  133   2HG   LYS  16          HG3       LYS  16  17.971   2.769   5.623
  134   1HD   LYS  16          HD2       LYS  16  20.401   3.284   5.220
  135   2HD   LYS  16          HD3       LYS  16  19.908   4.531   4.052
  136   1HE   LYS  16          HE2       LYS  16  18.617   5.693   5.823
  137   2HE   LYS  16          HE3       LYS  16  19.124   4.464   7.000
  138   1HZ   LYS  16          HZ1       LYS  16  20.482   6.409   7.109
  139   2HZ   LYS  16          HZ2       LYS  16  21.385   5.121   6.618
  140   3HZ   LYS  16          HZ3       LYS  16  20.915   6.263   5.526
  141    H    GLU  17           H        GLU  17  17.116   0.983   1.151
  142    HA   GLU  17           HA       GLU  17  18.805  -1.172   0.394
  143   1HB   GLU  17          HB2       GLU  17  16.144  -0.309  -0.794
  144   2HB   GLU  17          HB3       GLU  17  16.975  -1.827  -1.150
  145   1HG   GLU  17          HG2       GLU  17  16.000  -0.976   1.611
  146   2HG   GLU  17          HG3       GLU  17  15.233  -2.154   0.546
  147    H    ARG  18           H        ARG  18  17.719   1.649  -1.584
  148    HA   ARG  18           HA       ARG  18  19.178   0.862  -3.915
  149   1HB   ARG  18          HB2       ARG  18  18.442   3.665  -2.969
  150   2HB   ARG  18          HB3       ARG  18  19.084   3.242  -4.565
  151   1HG   ARG  18          HG2       ARG  18  17.108   1.659  -4.853
  152   2HG   ARG  18          HG3       ARG  18  16.432   2.351  -3.375
  153   1HD   ARG  18          HD2       ARG  18  16.700   4.665  -4.561
  154   2HD   ARG  18          HD3       ARG  18  17.001   3.731  -6.019
  155    HE   ARG  18           HE       ARG  18  14.797   3.047  -6.119
  156   1HH1  ARG  18          HH21      ARG  18  15.368   4.761  -3.084
  157   2HH1  ARG  18          HH22      ARG  18  13.692   4.861  -2.648
  158   1HH2  ARG  18          HH11      ARG  18  12.602   3.039  -5.504
  159   2HH2  ARG  18          HH12      ARG  18  12.098   3.659  -3.954
  160    H    ASN  19           H        ASN  19  20.145   2.835  -1.093
  161    HA   ASN  19           HA       ASN  19  22.683   3.635  -2.072
  162   1HB   ASN  19          HB2       ASN  19  21.517   3.375   0.705
  163   2HB   ASN  19          HB3       ASN  19  23.250   3.618   0.507
  164   1HD2  ASN  19          HD22      ASN  19  20.121   5.045  -0.580
  165   2HD2  ASN  19          HD21      ASN  19  20.759   6.687  -0.656
  166    H    LYS  20           H        LYS  20  21.864   0.725  -0.062
  167    HA   LYS  20           HA       LYS  20  24.609  -0.221  -0.267
  168   1HB   LYS  20          HB2       LYS  20  23.886  -2.250   0.745
  169   2HB   LYS  20          HB3       LYS  20  23.206  -0.851   1.588
  170   1HG   LYS  20          HG2       LYS  20  21.033  -1.250   0.423
  171   2HG   LYS  20          HG3       LYS  20  21.723  -2.650  -0.391
  172   1HD   LYS  20          HD2       LYS  20  20.419  -3.439   1.454
  173   2HD   LYS  20          HD3       LYS  20  22.124  -3.764   1.770
  174   1HE   LYS  20          HE2       LYS  20  20.951  -2.984   3.789
  175   2HE   LYS  20          HE3       LYS  20  22.219  -1.843   3.338
  176   1HZ   LYS  20          HZ1       LYS  20  20.512  -0.484   2.316
  177   2HZ   LYS  20          HZ2       LYS  20  19.348  -1.573   2.756
  178   3HZ   LYS  20          HZ3       LYS  20  20.187  -0.748   3.911
  179    H    GLY  21           H        GLY  21  21.635  -0.828  -2.118
  180   1HA   GLY  21          HA2       GLY  21  22.444  -3.047  -3.616
  181   2HA   GLY  21          HA3       GLY  21  21.215  -1.860  -4.086
  182    H    GLN  22           H        GLN  22  22.755   0.449  -4.378
  183    HA   GLN  22           HA       GLN  22  23.963   1.584  -5.925
  184   1HB   GLN  22          HB2       GLN  22  25.799  -0.846  -5.807
  185   2HB   GLN  22          HB3       GLN  22  26.228   0.727  -6.484
  186   1HG   GLN  22          HG2       GLN  22  26.165   1.810  -4.377
  187   2HG   GLN  22          HG3       GLN  22  25.280   0.491  -3.613
  188   1HE2  GLN  22          HE22      GLN  22  26.317  -1.401  -2.928
  189   2HE2  GLN  22          HE21      GLN  22  28.077  -1.504  -2.873
  Start of MODEL   14
    1   1H    PHE   1          H1        PHE   1  -1.982   9.659   1.681
    2   2H    PHE   1          H2        PHE   1  -0.564  10.244   1.063
    3   3H    PHE   1          H3        PHE   1  -0.727   9.980   2.689
    4    HA   PHE   1           HA       PHE   1  -0.817   7.903   0.645
    5   1HB   PHE   1          HB2       PHE   1   1.370   7.170   1.622
    6   2HB   PHE   1          HB3       PHE   1   1.420   8.689   0.742
    7    HD1  PHE   1           HD1      PHE   1   2.428  10.581   1.724
    8    HD2  PHE   1           HD2      PHE   1   1.178   7.318   4.258
    9    HE1  PHE   1           HE1      PHE   1   3.538  11.649   3.662
   10    HE2  PHE   1           HE2      PHE   1   2.237   8.427   6.200
   11    HZ   PHE   1           HZ       PHE   1   3.435  10.584   5.904
   12    H    VAL   2           H        VAL   2  -0.821   5.729   1.517
   13    HA   VAL   2           HA       VAL   2  -2.259   5.470   4.062
   14    HB   VAL   2           HB       VAL   2  -3.008   4.098   2.284
   15   1HG1  VAL   2          HG11      VAL   2  -0.297   2.736   2.135
   16   2HG1  VAL   2          HG12      VAL   2  -1.763   2.298   1.256
   17   3HG1  VAL   2          HG13      VAL   2  -0.961   3.831   0.906
   18   1HG2  VAL   2          HG21      VAL   2  -1.569   2.417   4.375
   19   2HG2  VAL   2          HG22      VAL   2  -3.146   3.212   4.565
   20   3HG2  VAL   2          HG23      VAL   2  -2.948   1.910   3.381
   21    HA   PRO   3           HA       PRO   3   1.874   5.337   5.812
   22   1HB   PRO   3          HB2       PRO   3   1.334   5.375   8.474
   23   2HB   PRO   3          HB3       PRO   3   0.888   6.732   7.411
   24   1HG   PRO   3          HG2       PRO   3  -0.898   4.435   8.263
   25   2HG   PRO   3          HG3       PRO   3  -1.224   6.186   8.432
   26   1HD   PRO   3          HD2       PRO   3  -2.155   4.759   6.306
   27   2HD   PRO   3          HD3       PRO   3  -1.566   6.437   6.103
   28    H    ILE   4           H        ILE   4   1.389   2.975   4.650
   29    HA   ILE   4           HA       ILE   4   0.702   0.756   6.083
   30    HB   ILE   4           HB       ILE   4   2.632  -0.347   4.440
   31   1HG1  ILE   4          HG12      ILE   4   2.620   0.741   2.302
   32   2HG1  ILE   4          HG13      ILE   4   1.693   2.106   2.904
   33   1HG2  ILE   4          HG21      ILE   4   0.267  -0.928   4.524
   34   2HG2  ILE   4          HG22      ILE   4  -0.152   0.562   3.650
   35   3HG2  ILE   4          HG23      ILE   4   0.802  -0.705   2.853
   36   1HD1  ILE   4          HD11      ILE   4   4.511   1.423   3.820
   37   2HD1  ILE   4          HD12      ILE   4   4.104   2.554   2.518
   38   3HD1  ILE   4          HD13      ILE   4   3.601   2.928   4.159
   39    H    PHE   5           H        PHE   5   3.993   1.895   5.777
   40    HA   PHE   5           HA       PHE   5   4.613   0.764   8.463
   41   1HB   PHE   5          HB2       PHE   5   6.654   0.873   6.221
   42   2HB   PHE   5          HB3       PHE   5   6.794   0.076   7.779
   43    HD1  PHE   5           HD1      PHE   5   4.846  -1.800   8.190
   44    HD2  PHE   5           HD2      PHE   5   6.207  -0.451   4.324
   45    HE1  PHE   5           HE1      PHE   5   3.929  -3.849   7.144
   46    HE2  PHE   5           HE2      PHE   5   5.290  -2.500   3.288
   47    HZ   PHE   5           HZ       PHE   5   4.149  -4.204   4.691
   48    H    THR   6           H        THR   6   3.517   3.232   7.651
   49    HA   THR   6           HA       THR   6   3.757   5.470   7.616
   50    HB   THR   6           HB       THR   6   6.421   5.123   9.019
   51    HG1  THR   6           HG1      THR   6   5.193   5.092  10.879
   52   1HG2  THR   6          HG21      THR   6   5.791   7.323  10.008
   53   2HG2  THR   6          HG22      THR   6   5.879   7.445   8.243
   54   3HG2  THR   6          HG23      THR   6   4.300   7.335   9.052
   55    H    TYR   7           H        TYR   7   3.854   5.970   5.497
   56    HA   TYR   7           HA       TYR   7   5.492   5.009   3.617
   57   1HB   TYR   7          HB2       TYR   7   3.457   6.282   3.146
   58   2HB   TYR   7          HB3       TYR   7   4.289   7.778   3.617
   59    HD1  TYR   7           HD1      TYR   7   5.492   9.039   2.008
   60    HD2  TYR   7           HD2      TYR   7   4.514   4.918   1.187
   61    HE1  TYR   7           HE1      TYR   7   6.578   9.216  -0.213
   62    HE2  TYR   7           HE2      TYR   7   5.604   5.099  -1.024
   63    HH   TYR   7           HH       TYR   7   6.736   6.472  -2.492
   64    H    GLY   8           H        GLY   8   6.223   7.983   5.412
   65   1HA   GLY   8          HA2       GLY   8   8.502   8.864   4.015
   66   2HA   GLY   8          HA3       GLY   8   8.250   9.059   5.759
   67    H    GLU   9           H        GLU   9   8.300   6.447   6.687
   68    HA   GLU   9           HA       GLU   9  11.156   5.962   6.789
   69   1HB   GLU   9          HB2       GLU   9   8.759   4.388   7.865
   70   2HB   GLU   9          HB3       GLU   9  10.442   3.899   8.028
   71   1HG   GLU   9          HG2       GLU   9  10.106   4.927  10.027
   72   2HG   GLU   9          HG3       GLU   9  10.873   6.217   9.102
   73    H    LEU  10           H        LEU  10   8.354   4.294   5.340
   74    HA   LEU  10           HA       LEU  10   9.748   2.127   4.209
   75   1HB   LEU  10          HB2       LEU  10   7.314   2.330   4.314
   76   2HB   LEU  10          HB3       LEU  10   7.319   3.604   3.103
   77    HG   LEU  10           HG       LEU  10   6.622   1.288   2.390
   78   1HD1  LEU  10          HD11      LEU  10   7.235   3.082   0.777
   79   2HD1  LEU  10          HD12      LEU  10   8.878   2.410   0.697
   80   3HD1  LEU  10          HD13      LEU  10   7.501   1.434   0.185
   81   1HD2  LEU  10          HD21      LEU  10   8.256  -0.389   1.854
   82   2HD2  LEU  10          HD22      LEU  10   9.598   0.653   2.349
   83   3HD2  LEU  10          HD23      LEU  10   8.455   0.038   3.563
   84    H    GLN  11           H        GLN  11   9.036   5.294   2.674
   85    HA   GLN  11           HA       GLN  11  10.384   4.801   0.259
   86   1HB   GLN  11          HB2       GLN  11   8.748   6.716   1.030
   87   2HB   GLN  11          HB3       GLN  11  10.230   7.584   1.443
   88   1HG   GLN  11          HG2       GLN  11   9.443   6.392  -1.265
   89   2HG   GLN  11          HG3       GLN  11   9.372   8.099  -0.837
   90   1HE2  GLN  11          HE22      GLN  11  11.503   9.114  -0.134
   91   2HE2  GLN  11          HE21      GLN  11  12.937   8.626  -1.006
   92    H    ARG  12           H        ARG  12  11.568   6.400   3.294
   93    HA   ARG  12           HA       ARG  12  14.238   6.754   2.364
   94   1HB   ARG  12          HB2       ARG  12  13.055   6.461   5.136
   95   2HB   ARG  12          HB3       ARG  12  14.784   6.744   4.856
   96   1HG   ARG  12          HG2       ARG  12  14.369   8.769   3.612
   97   2HG   ARG  12          HG3       ARG  12  12.618   8.534   3.664
   98   1HD   ARG  12          HD2       ARG  12  14.382   8.919   6.120
   99   2HD   ARG  12          HD3       ARG  12  13.446  10.206   5.323
  100    HE   ARG  12           HE       ARG  12  11.643   8.129   5.840
  101   1HH1  ARG  12          HH21      ARG  12  13.650  10.405   7.640
  102   2HH1  ARG  12          HH22      ARG  12  12.597  10.492   9.026
  103   1HH2  ARG  12          HH11      ARG  12  10.235   8.191   7.721
  104   2HH2  ARG  12          HH12      ARG  12  10.620   9.248   9.039
  105    H    MET  13           H        MET  13  12.675   3.842   3.786
  106    HA   MET  13           HA       MET  13  15.104   2.371   3.967
  107   1HB   MET  13          HB2       MET  13  13.005   1.685   5.083
  108   2HB   MET  13          HB3       MET  13  12.291   1.294   3.518
  109   1HG   MET  13          HG2       MET  13  13.125  -0.704   4.656
  110   2HG   MET  13          HG3       MET  13  13.914  -0.443   3.106
  111   1HE   MET  13          HE1       MET  13  14.817   1.394   6.536
  112   2HE   MET  13          HE2       MET  13  14.287  -0.243   7.005
  113   3HE   MET  13          HE3       MET  13  15.993   0.230   7.183
  114    H    GLN  14           H        GLN  14  12.807   2.888   1.235
  115    HA   GLN  14           HA       GLN  14  14.142   1.164  -0.619
  116   1HB   GLN  14          HB2       GLN  14  12.985   3.882  -1.357
  117   2HB   GLN  14          HB3       GLN  14  13.266   2.505  -2.411
  118   1HG   GLN  14          HG2       GLN  14  11.556   1.194  -1.171
  119   2HG   GLN  14          HG3       GLN  14  11.211   2.608  -0.173
  120   1HE2  GLN  14          HE22      GLN  14  11.283   4.733  -2.146
  121   2HE2  GLN  14          HE21      GLN  14   9.958   4.400  -3.240
  122    H    GLU  15           H        GLU  15  14.730   4.619   0.194
  123    HA   GLU  15           HA       GLU  15  16.945   4.980  -1.548
  124   1HB   GLU  15          HB2       GLU  15  16.414   6.306   1.139
  125   2HB   GLU  15          HB3       GLU  15  17.570   6.859  -0.075
  126   1HG   GLU  15          HG2       GLU  15  15.767   7.184  -1.718
  127   2HG   GLU  15          HG3       GLU  15  14.562   6.597  -0.568
  128    H    LYS  16           H        LYS  16  16.850   3.855   1.842
  129    HA   LYS  16           HA       LYS  16  19.607   3.552   2.280
  130   1HB   LYS  16          HB2       LYS  16  17.608   3.385   3.891
  131   2HB   LYS  16          HB3       LYS  16  17.467   1.698   3.400
  132   1HG   LYS  16          HG2       LYS  16  19.872   3.030   4.726
  133   2HG   LYS  16          HG3       LYS  16  18.657   2.006   5.497
  134   1HD   LYS  16          HD2       LYS  16  19.388   0.141   3.846
  135   2HD   LYS  16          HD3       LYS  16  20.771   1.190   3.468
  136   1HE   LYS  16          HE2       LYS  16  21.516  -0.340   5.124
  137   2HE   LYS  16          HE3       LYS  16  21.352   1.229   5.921
  138   1HZ   LYS  16          HZ1       LYS  16  20.443  -0.574   7.212
  139   2HZ   LYS  16          HZ2       LYS  16  19.249   0.479   6.793
  140   3HZ   LYS  16          HZ3       LYS  16  19.387  -0.963   6.008
  141    H    GLU  17           H        GLU  17  17.220   1.088   1.102
  142    HA   GLU  17           HA       GLU  17  19.207  -0.925   0.698
  143   1HB   GLU  17          HB2       GLU  17  16.443  -0.596  -0.545
  144   2HB   GLU  17          HB3       GLU  17  17.454  -2.043  -0.686
  145   1HG   GLU  17          HG2       GLU  17  16.350  -0.893   1.918
  146   2HG   GLU  17          HG3       GLU  17  15.797  -2.348   1.092
  147    H    ARG  18           H        ARG  18  17.943   1.605  -1.521
  148    HA   ARG  18           HA       ARG  18  19.471   0.695  -3.755
  149   1HB   ARG  18          HB2       ARG  18  18.339   3.386  -2.945
  150   2HB   ARG  18          HB3       ARG  18  19.445   3.283  -4.304
  151   1HG   ARG  18          HG2       ARG  18  16.785   1.821  -4.054
  152   2HG   ARG  18          HG3       ARG  18  17.155   3.211  -5.082
  153   1HD   ARG  18          HD2       ARG  18  17.997   0.339  -5.408
  154   2HD   ARG  18          HD3       ARG  18  17.240   1.407  -6.575
  155    HE   ARG  18           HE       ARG  18  19.369   2.699  -6.680
  156   1HH1  ARG  18          HH21      ARG  18  19.568  -0.794  -5.852
  157   2HH1  ARG  18          HH22      ARG  18  21.325  -0.750  -5.934
  158   1HH2  ARG  18          HH11      ARG  18  21.679   2.562  -6.805
  159   2HH2  ARG  18          HH12      ARG  18  22.441   1.021  -6.429
  160    H    ASN  19           H        ASN  19  20.331   2.968  -1.118
  161    HA   ASN  19           HA       ASN  19  22.941   3.542  -2.102
  162   1HB   ASN  19          HB2       ASN  19  21.679   3.714   0.644
  163   2HB   ASN  19          HB3       ASN  19  23.420   3.906   0.451
  164   1HD2  ASN  19          HD22      ASN  19  20.299   5.222  -0.757
  165   2HD2  ASN  19          HD21      ASN  19  20.967   6.814  -1.115
  166    H    LYS  20           H        LYS  20  21.783   0.938   0.048
  167    HA   LYS  20           HA       LYS  20  24.291  -0.338   0.494
  168   1HB   LYS  20          HB2       LYS  20  22.163  -0.811   1.689
  169   2HB   LYS  20          HB3       LYS  20  21.521  -1.574   0.226
  170   1HG   LYS  20          HG2       LYS  20  23.497  -3.189   0.326
  171   2HG   LYS  20          HG3       LYS  20  23.858  -2.534   1.923
  172   1HD   LYS  20          HD2       LYS  20  21.247  -3.860   1.007
  173   2HD   LYS  20          HD3       LYS  20  22.491  -4.626   1.997
  174   1HE   LYS  20          HE2       LYS  20  20.768  -2.235   2.819
  175   2HE   LYS  20          HE3       LYS  20  20.570  -3.905   3.351
  176   1HZ   LYS  20          HZ1       LYS  20  22.749  -3.795   4.335
  177   2HZ   LYS  20          HZ2       LYS  20  22.914  -2.220   3.875
  178   3HZ   LYS  20          HZ3       LYS  20  21.749  -2.645   4.962
  179    H    GLY  21           H        GLY  21  21.824  -0.807  -2.081
  180   1HA   GLY  21          HA2       GLY  21  23.345  -2.801  -3.526
  181   2HA   GLY  21          HA3       GLY  21  21.858  -1.988  -4.028
  182    H    GLN  22           H        GLN  22  25.257  -1.062  -3.369
  183    HA   GLN  22           HA       GLN  22  25.529   0.057  -6.128
  184   1HB   GLN  22          HB2       GLN  22  26.515   1.297  -3.520
  185   2HB   GLN  22          HB3       GLN  22  27.019   1.807  -5.142
  186   1HG   GLN  22          HG2       GLN  22  24.671   2.349  -5.721
  187   2HG   GLN  22          HG3       GLN  22  24.159   1.884  -4.092
  188   1HE2  GLN  22          HE22      GLN  22  25.378   3.034  -2.254
  189   2HE2  GLN  22          HE21      GLN  22  25.675   4.758  -2.496
  Start of MODEL   15
    1   1H    PHE   1          H1        PHE   1  -1.481   8.818  -0.727
    2   2H    PHE   1          H2        PHE   1  -1.530   9.082   0.907
    3   3H    PHE   1          H3        PHE   1  -2.802   8.363   0.159
    4    HA   PHE   1           HA       PHE   1  -1.534   6.455  -0.356
    5   1HB   PHE   1          HB2       PHE   1   0.756   6.218   0.529
    6   2HB   PHE   1          HB3       PHE   1   0.622   7.485  -0.681
    7    HD1  PHE   1           HD1      PHE   1   1.045   6.811   2.958
    8    HD2  PHE   1           HD2      PHE   1   1.112   9.801  -0.143
    9    HE1  PHE   1           HE1      PHE   1   2.052   8.434   4.543
   10    HE2  PHE   1           HE2      PHE   1   2.168  11.400   1.430
   11    HZ   PHE   1           HZ       PHE   1   2.639  10.718   3.775
   12    H    VAL   2           H        VAL   2  -1.458   4.674   1.139
   13    HA   VAL   2           HA       VAL   2  -2.793   5.138   3.682
   14    HB   VAL   2           HB       VAL   2  -1.497   2.626   2.549
   15   1HG1  VAL   2          HG11      VAL   2  -1.771   2.547   5.023
   16   2HG1  VAL   2          HG12      VAL   2  -3.477   3.003   4.844
   17   3HG1  VAL   2          HG13      VAL   2  -2.894   1.450   4.213
   18   1HG2  VAL   2          HG21      VAL   2  -4.401   3.569   2.526
   19   2HG2  VAL   2          HG22      VAL   2  -3.349   3.389   1.106
   20   3HG2  VAL   2          HG23      VAL   2  -3.837   1.963   2.026
   21    HA   PRO   3           HA       PRO   3   1.322   6.075   5.275
   22   1HB   PRO   3          HB2       PRO   3   0.733   6.982   7.770
   23   2HB   PRO   3          HB3       PRO   3   0.161   7.820   6.306
   24   1HG   PRO   3          HG2       PRO   3  -1.369   5.782   7.953
   25   2HG   PRO   3          HG3       PRO   3  -1.892   7.436   7.512
   26   1HD   PRO   3          HD2       PRO   3  -2.627   5.265   6.036
   27   2HD   PRO   3          HD3       PRO   3  -2.223   6.823   5.251
   28    H    ILE   4           H        ILE   4   0.971   3.356   5.073
   29    HA   ILE   4           HA       ILE   4   0.780   1.808   7.352
   30    HB   ILE   4           HB       ILE   4   2.638   0.335   5.962
   31   1HG1  ILE   4          HG12      ILE   4   2.167   0.483   3.593
   32   2HG1  ILE   4          HG13      ILE   4   1.211   1.944   3.804
   33   1HG2  ILE   4          HG21      ILE   4   0.401  -0.363   6.635
   34   2HG2  ILE   4          HG22      ILE   4  -0.318   0.616   5.338
   35   3HG2  ILE   4          HG23      ILE   4   0.707  -0.778   4.944
   36   1HD1  ILE   4          HD11      ILE   4   3.523   2.236   2.859
   37   2HD1  ILE   4          HD12      ILE   4   3.198   3.241   4.266
   38   3HD1  ILE   4          HD13      ILE   4   4.186   1.753   4.427
   39    H    PHE   5           H        PHE   5   3.795   3.033   6.044
   40    HA   PHE   5           HA       PHE   5   4.936   3.161   8.792
   41   1HB   PHE   5          HB2       PHE   5   6.642   2.669   6.340
   42   2HB   PHE   5          HB3       PHE   5   7.064   2.493   8.046
   43    HD1  PHE   5           HD1      PHE   5   5.332   0.744   9.325
   44    HD2  PHE   5           HD2      PHE   5   6.478   0.624   5.164
   45    HE1  PHE   5           HE1      PHE   5   4.687  -1.643   9.205
   46    HE2  PHE   5           HE2      PHE   5   5.826  -1.752   5.054
   47    HZ   PHE   5           HZ       PHE   5   4.926  -2.895   7.066
   48    H    THR   6           H        THR   6   3.267   4.958   7.563
   49    HA   THR   6           HA       THR   6   3.032   7.145   7.076
   50    HB   THR   6           HB       THR   6   5.907   7.658   7.903
   51    HG1  THR   6           HG1      THR   6   5.347   6.376   9.535
   52   1HG2  THR   6          HG21      THR   6   3.260   9.075   8.439
   53   2HG2  THR   6          HG22      THR   6   4.846   9.580   9.060
   54   3HG2  THR   6          HG23      THR   6   4.524   9.630   7.320
   55    H    TYR   7           H        TYR   7   4.588   5.279   5.133
   56    HA   TYR   7           HA       TYR   7   5.436   5.219   3.091
   57   1HB   TYR   7          HB2       TYR   7   3.759   6.791   2.349
   58   2HB   TYR   7          HB3       TYR   7   4.752   8.170   2.830
   59    HD1  TYR   7           HD1      TYR   7   4.486   5.296   0.485
   60    HD2  TYR   7           HD2      TYR   7   6.651   8.883   1.500
   61    HE1  TYR   7           HE1      TYR   7   5.890   5.013  -1.530
   62    HE2  TYR   7           HE2      TYR   7   8.059   8.600  -0.527
   63    HH   TYR   7           HH       TYR   7   7.587   5.917  -2.820
   64    H    GLY   8           H        GLY   8   6.482   8.236   4.602
   65   1HA   GLY   8          HA2       GLY   8   8.991   8.628   3.580
   66   2HA   GLY   8          HA3       GLY   8   8.571   8.987   5.262
   67    H    GLU   9           H        GLU   9   8.236   6.409   6.345
   68    HA   GLU   9           HA       GLU   9  10.982   5.722   6.845
   69   1HB   GLU   9          HB2       GLU   9   8.501   4.093   7.423
   70   2HB   GLU   9          HB3       GLU   9  10.062   3.923   8.208
   71   1HG   GLU   9          HG2       GLU   9   9.818   6.050   9.349
   72   2HG   GLU   9          HG3       GLU   9   8.398   6.491   8.399
   73    H    LEU  10           H        LEU  10   8.446   4.427   4.713
   74    HA   LEU  10           HA       LEU  10   9.828   1.977   4.062
   75   1HB   LEU  10          HB2       LEU  10   7.377   2.310   3.927
   76   2HB   LEU  10          HB3       LEU  10   7.572   3.435   2.598
   77    HG   LEU  10           HG       LEU  10   6.845   1.074   2.081
   78   1HD1  LEU  10          HD11      LEU  10   9.266   2.065   0.539
   79   2HD1  LEU  10          HD12      LEU  10   7.997   0.973  -0.032
   80   3HD1  LEU  10          HD13      LEU  10   7.604   2.656   0.354
   81   1HD2  LEU  10          HD21      LEU  10   8.505  -0.110   3.521
   82   2HD2  LEU  10          HD22      LEU  10   8.474  -0.680   1.844
   83   3HD2  LEU  10          HD23      LEU  10   9.791   0.370   2.386
   84    H    GLN  11           H        GLN  11   9.427   5.209   2.520
   85    HA   GLN  11           HA       GLN  11  11.116   4.578   0.324
   86   1HB   GLN  11          HB2       GLN  11   9.543   6.469   0.338
   87   2HB   GLN  11          HB3       GLN  11  10.534   7.322   1.529
   88   1HG   GLN  11          HG2       GLN  11  10.873   8.088  -0.862
   89   2HG   GLN  11          HG3       GLN  11  12.355   7.564  -0.053
   90   1HE2  GLN  11          HE22      GLN  11   9.670   5.992  -1.953
   91   2HE2  GLN  11          HE21      GLN  11  10.761   4.836  -2.725
   92    H    ARG  12           H        ARG  12  11.860   5.944   3.552
   93    HA   ARG  12           HA       ARG  12  14.634   6.361   3.152
   94   1HB   ARG  12          HB2       ARG  12  13.392   7.170   5.099
   95   2HB   ARG  12          HB3       ARG  12  13.125   5.506   5.644
   96   1HG   ARG  12          HG2       ARG  12  15.531   5.184   5.983
   97   2HG   ARG  12          HG3       ARG  12  15.874   6.780   5.302
   98   1HD   ARG  12          HD2       ARG  12  15.909   6.766   7.823
   99   2HD   ARG  12          HD3       ARG  12  14.763   7.903   7.119
  100    HE   ARG  12           HE       ARG  12  13.037   6.826   8.108
  101   1HH1  ARG  12          HH11      ARG  12  15.750   4.576   8.014
  102   2HH1  ARG  12          HH12      ARG  12  14.938   3.329   8.923
  103   1HH2  ARG  12          HH21      ARG  12  11.964   5.225   9.308
  104   2HH2  ARG  12          HH22      ARG  12  12.741   3.709   9.669
  105    H    MET  13           H        MET  13  12.857   3.400   4.222
  106    HA   MET  13           HA       MET  13  15.114   1.718   4.436
  107   1HB   MET  13          HB2       MET  13  12.922   1.197   5.322
  108   2HB   MET  13          HB3       MET  13  12.234   1.031   3.705
  109   1HG   MET  13          HG2       MET  13  14.553  -0.690   4.629
  110   2HG   MET  13          HG3       MET  13  12.870  -1.077   5.005
  111   1HE   MET  13          HE1       MET  13  13.597  -3.781   2.368
  112   2HE   MET  13          HE2       MET  13  14.759  -3.148   3.559
  113   3HE   MET  13          HE3       MET  13  13.059  -3.424   4.021
  114    H    GLN  14           H        GLN  14  12.983   2.289   1.569
  115    HA   GLN  14           HA       GLN  14  14.447   0.696  -0.264
  116   1HB   GLN  14          HB2       GLN  14  12.946   3.301  -0.755
  117   2HB   GLN  14          HB3       GLN  14  13.616   2.253  -2.017
  118   1HG   GLN  14          HG2       GLN  14  12.229   0.381  -1.282
  119   2HG   GLN  14          HG3       GLN  14  11.499   1.390  -0.024
  120   1HE2  GLN  14          HE22      GLN  14   9.748   0.260  -1.747
  121   2HE2  GLN  14          HE21      GLN  14   9.167   1.435  -2.914
  122    H    GLU  15           H        GLU  15  14.945   4.143   0.620
  123    HA   GLU  15           HA       GLU  15  17.122   4.646  -1.084
  124   1HB   GLU  15          HB2       GLU  15  15.814   6.339   0.216
  125   2HB   GLU  15          HB3       GLU  15  16.658   5.829   1.686
  126   1HG   GLU  15          HG2       GLU  15  18.813   6.505   0.741
  127   2HG   GLU  15          HG3       GLU  15  18.049   6.887  -0.810
  128    H    LYS  16           H        LYS  16  17.130   3.390   2.278
  129    HA   LYS  16           HA       LYS  16  19.916   3.085   2.555
  130   1HB   LYS  16          HB2       LYS  16  18.200   2.892   4.322
  131   2HB   LYS  16          HB3       LYS  16  17.716   1.311   3.719
  132   1HG   LYS  16          HG2       LYS  16  20.575   1.910   4.587
  133   2HG   LYS  16          HG3       LYS  16  19.294   1.494   5.731
  134   1HD   LYS  16          HD2       LYS  16  18.874  -0.646   4.456
  135   2HD   LYS  16          HD3       LYS  16  20.272  -0.272   3.441
  136   1HE   LYS  16          HE2       LYS  16  20.981  -1.799   5.148
  137   2HE   LYS  16          HE3       LYS  16  21.725  -0.221   5.469
  138   1HZ   LYS  16          HZ1       LYS  16  19.330  -1.288   6.798
  139   2HZ   LYS  16          HZ2       LYS  16  20.849  -1.257   7.438
  140   3HZ   LYS  16          HZ3       LYS  16  20.058   0.154   7.132
  141    H    GLU  17           H        GLU  17  17.492   0.740   1.250
  142    HA   GLU  17           HA       GLU  17  19.346  -1.297   0.551
  143   1HB   GLU  17          HB2       GLU  17  16.750  -0.529  -0.850
  144   2HB   GLU  17          HB3       GLU  17  17.688  -1.989  -1.160
  145   1HG   GLU  17          HG2       GLU  17  17.405  -2.699   1.196
  146   2HG   GLU  17          HG3       GLU  17  16.409  -1.273   1.514
  147    H    ARG  18           H        ARG  18  18.170   1.454  -1.468
  148    HA   ARG  18           HA       ARG  18  19.706   0.871  -3.771
  149   1HB   ARG  18          HB2       ARG  18  18.790   3.562  -2.662
  150   2HB   ARG  18          HB3       ARG  18  19.556   3.329  -4.238
  151   1HG   ARG  18          HG2       ARG  18  17.728   1.712  -4.848
  152   2HG   ARG  18          HG3       ARG  18  16.886   2.153  -3.358
  153   1HD   ARG  18          HD2       ARG  18  17.682   4.053  -5.608
  154   2HD   ARG  18          HD3       ARG  18  16.064   3.427  -5.350
  155    HE   ARG  18           HE       ARG  18  17.507   5.492  -3.802
  156   1HH1  ARG  18          HH21      ARG  18  14.582   3.440  -3.898
  157   2HH1  ARG  18          HH22      ARG  18  13.665   4.582  -2.921
  158   1HH2  ARG  18          HH11      ARG  18  16.203   6.909  -2.504
  159   2HH2  ARG  18          HH12      ARG  18  14.550   6.420  -2.145
  160    H    ASN  19           H        ASN  19  20.545   2.899  -0.944
  161    HA   ASN  19           HA       ASN  19  23.114   3.717  -1.816
  162   1HB   ASN  19          HB2       ASN  19  22.170   3.205   1.042
  163   2HB   ASN  19          HB3       ASN  19  23.607   4.112   0.572
  164   1HD2  ASN  19          HD22      ASN  19  22.098   5.448  -1.766
  165   2HD2  ASN  19          HD21      ASN  19  21.141   6.658  -0.933
  166    H    LYS  20           H        LYS  20  22.196   0.857   0.191
  167    HA   LYS  20           HA       LYS  20  24.901  -0.140   0.308
  168   1HB   LYS  20          HB2       LYS  20  22.214  -1.544   0.592
  169   2HB   LYS  20          HB3       LYS  20  23.773  -2.321   0.888
  170   1HG   LYS  20          HG2       LYS  20  22.700   0.095   2.416
  171   2HG   LYS  20          HG3       LYS  20  22.695  -1.590   2.957
  172   1HD   LYS  20          HD2       LYS  20  25.265  -1.551   2.683
  173   2HD   LYS  20          HD3       LYS  20  25.116   0.199   2.455
  174   1HE   LYS  20          HE2       LYS  20  25.684  -0.172   4.737
  175   2HE   LYS  20          HE3       LYS  20  24.006   0.382   4.688
  176   1HZ   LYS  20          HZ1       LYS  20  23.339  -1.922   4.935
  177   2HZ   LYS  20          HZ2       LYS  20  24.913  -2.408   4.957
  178   3HZ   LYS  20          HZ3       LYS  20  24.326  -1.467   6.174
  179    H    GLY  21           H        GLY  21  22.287  -0.605  -2.059
  180   1HA   GLY  21          HA2       GLY  21  23.510  -2.555  -3.704
  181   2HA   GLY  21          HA3       GLY  21  22.391  -1.287  -4.239
  182    H    GLN  22           H        GLN  22  23.717   1.044  -3.839
  183    HA   GLN  22           HA       GLN  22  26.480   0.962  -4.677
  184   1HB   GLN  22          HB2       GLN  22  25.283   0.515  -6.839
  185   2HB   GLN  22          HB3       GLN  22  24.425   2.053  -6.659
  186   1HG   GLN  22          HG2       GLN  22  26.574   3.275  -6.735
  187   2HG   GLN  22          HG3       GLN  22  27.464   1.746  -6.804
  188   1HE2  GLN  22          HE22      GLN  22  26.587   0.220  -8.693
  189   2HE2  GLN  22          HE21      GLN  22  26.402   1.055 -10.227
  Start of MODEL   16
    1   1H    PHE   1          H1        PHE   1  -0.319   8.526  -1.783
    2   2H    PHE   1          H2        PHE   1  -1.066   8.883  -0.349
    3   3H    PHE   1          H3        PHE   1  -1.690   7.721  -1.325
    4    HA   PHE   1           HA       PHE   1   0.169   6.322  -0.997
    5   1HB   PHE   1          HB2       PHE   1   1.920   6.911   0.583
    6   2HB   PHE   1          HB3       PHE   1   1.857   8.078  -0.728
    7    HD1  PHE   1           HD1      PHE   1   1.184  10.411  -0.317
    8    HD2  PHE   1           HD2      PHE   1   1.195   7.522   2.885
    9    HE1  PHE   1           HE1      PHE   1   0.912  12.236   1.339
   10    HE2  PHE   1           HE2      PHE   1   0.919   9.355   4.533
   11    HZ   PHE   1           HZ       PHE   1   0.778  11.711   3.764
   12    H    VAL   2           H        VAL   2   0.465   4.978   0.996
   13    HA   VAL   2           HA       VAL   2  -1.689   5.388   3.007
   14    HB   VAL   2           HB       VAL   2  -2.443   3.671   1.640
   15   1HG1  VAL   2          HG11      VAL   2  -0.476   2.993   0.394
   16   2HG1  VAL   2          HG12      VAL   2   0.250   2.267   1.838
   17   3HG1  VAL   2          HG13      VAL   2  -1.232   1.590   1.152
   18   1HG2  VAL   2          HG21      VAL   2  -2.701   3.338   4.057
   19   2HG2  VAL   2          HG22      VAL   2  -2.587   1.798   3.190
   20   3HG2  VAL   2          HG23      VAL   2  -1.195   2.400   4.107
   21    HA   PRO   3           HA       PRO   3   2.218   5.486   5.207
   22   1HB   PRO   3          HB2       PRO   3   1.431   6.601   7.575
   23   2HB   PRO   3          HB3       PRO   3   1.374   7.501   6.038
   24   1HG   PRO   3          HG2       PRO   3  -0.888   5.982   7.370
   25   2HG   PRO   3          HG3       PRO   3  -0.901   7.682   6.812
   26   1HD   PRO   3          HD2       PRO   3  -1.868   5.643   5.279
   27   2HD   PRO   3          HD3       PRO   3  -0.998   7.024   4.542
   28    H    ILE   4           H        ILE   4   1.721   3.000   4.924
   29    HA   ILE   4           HA       ILE   4   0.419   1.461   6.718
   30    HB   ILE   4           HB       ILE   4   1.932  -0.388   6.096
   31   1HG1  ILE   4          HG12      ILE   4   4.096   0.597   5.775
   32   2HG1  ILE   4          HG13      ILE   4   3.563  -0.224   4.330
   33   1HG2  ILE   4          HG21      ILE   4   1.243  -0.462   3.730
   34   2HG2  ILE   4          HG22      ILE   4  -0.047   0.146   4.780
   35   3HG2  ILE   4          HG23      ILE   4   0.889   1.274   3.783
   36   1HD1  ILE   4          HD11      ILE   4   4.725   1.743   3.703
   37   2HD1  ILE   4          HD12      ILE   4   3.027   2.017   3.307
   38   3HD1  ILE   4          HD13      ILE   4   3.775   2.783   4.741
   39    H    PHE   5           H        PHE   5   3.822   2.214   7.037
   40    HA   PHE   5           HA       PHE   5   3.508   2.092   9.990
   41   1HB   PHE   5          HB2       PHE   5   5.809   1.141  10.225
   42   2HB   PHE   5          HB3       PHE   5   4.571   0.022   9.692
   43    HD1  PHE   5           HD1      PHE   5   7.570   1.937   8.605
   44    HD2  PHE   5           HD2      PHE   5   4.772  -1.194   7.639
   45    HE1  PHE   5           HE1      PHE   5   8.960   1.295   6.658
   46    HE2  PHE   5           HE2      PHE   5   6.174  -1.845   5.702
   47    HZ   PHE   5           HZ       PHE   5   8.245  -0.580   5.182
   48    H    THR   6           H        THR   6   3.181   4.086   8.159
   49    HA   THR   6           HA       THR   6   3.693   6.308   7.975
   50    HB   THR   6           HB       THR   6   6.487   6.005   9.083
   51    HG1  THR   6           HG1      THR   6   5.364   5.200  10.694
   52   1HG2  THR   6          HG21      THR   6   6.113   8.318   9.776
   53   2HG2  THR   6          HG22      THR   6   5.868   8.160   8.027
   54   3HG2  THR   6          HG23      THR   6   4.466   8.281   9.119
   55    H    TYR   7           H        TYR   7   3.834   6.653   5.847
   56    HA   TYR   7           HA       TYR   7   5.183   5.056   4.039
   57   1HB   TYR   7          HB2       TYR   7   3.292   6.651   3.585
   58   2HB   TYR   7          HB3       TYR   7   4.445   7.980   3.615
   59    HD1  TYR   7           HD1      TYR   7   5.512   8.581   1.552
   60    HD2  TYR   7           HD2      TYR   7   3.700   4.686   1.962
   61    HE1  TYR   7           HE1      TYR   7   5.985   8.110  -0.829
   62    HE2  TYR   7           HE2      TYR   7   4.180   4.220  -0.428
   63    HH   TYR   7           HH       TYR   7   6.136   6.411  -2.424
   64    H    GLY   8           H        GLY   8   6.299   8.036   5.548
   65   1HA   GLY   8          HA2       GLY   8   8.711   8.518   4.190
   66   2HA   GLY   8          HA3       GLY   8   8.391   8.902   5.888
   67    H    GLU   9           H        GLU   9   8.024   6.168   6.856
   68    HA   GLU   9           HA       GLU   9  10.824   5.507   7.284
   69   1HB   GLU   9          HB2       GLU   9   8.235   4.106   8.051
   70   2HB   GLU   9          HB3       GLU   9   9.848   3.506   8.451
   71   1HG   GLU   9          HG2       GLU   9  10.357   5.521   9.729
   72   2HG   GLU   9          HG3       GLU   9   8.815   6.257   9.271
   73    H    LEU  10           H        LEU  10   8.100   4.124   5.398
   74    HA   LEU  10           HA       LEU  10   9.580   1.989   4.264
   75   1HB   LEU  10          HB2       LEU  10   7.206   2.015   3.988
   76   2HB   LEU  10          HB3       LEU  10   7.248   3.556   3.134
   77    HG   LEU  10           HG       LEU  10   8.497   2.505   1.254
   78   1HD1  LEU  10          HD11      LEU  10   8.029  -0.093   2.787
   79   2HD1  LEU  10          HD12      LEU  10   8.594   0.030   1.111
   80   3HD1  LEU  10          HD13      LEU  10   9.612   0.631   2.422
   81   1HD2  LEU  10          HD21      LEU  10   6.632   1.321   0.308
   82   2HD2  LEU  10          HD22      LEU  10   5.939   1.008   1.909
   83   3HD2  LEU  10          HD23      LEU  10   6.002   2.669   1.272
   84    H    GLN  11           H        GLN  11   9.221   5.411   3.151
   85    HA   GLN  11           HA       GLN  11  10.861   5.036   0.858
   86   1HB   GLN  11          HB2       GLN  11  10.587   7.641   2.415
   87   2HB   GLN  11          HB3       GLN  11  11.145   7.422   0.759
   88   1HG   GLN  11          HG2       GLN  11   8.360   7.444   1.817
   89   2HG   GLN  11          HG3       GLN  11   9.026   8.142   0.358
   90   1HE2  GLN  11          HE22      GLN  11   7.515   5.339   1.776
   91   2HE2  GLN  11          HE21      GLN  11   7.334   4.429   0.272
   92    H    ARG  12           H        ARG  12  11.740   5.904   4.209
   93    HA   ARG  12           HA       ARG  12  14.489   6.343   3.706
   94   1HB   ARG  12          HB2       ARG  12  13.326   6.955   5.769
   95   2HB   ARG  12          HB3       ARG  12  13.191   5.247   6.233
   96   1HG   ARG  12          HG2       ARG  12  15.652   5.038   6.265
   97   2HG   ARG  12          HG3       ARG  12  15.820   6.717   5.725
   98   1HD   ARG  12          HD2       ARG  12  14.552   5.823   8.365
   99   2HD   ARG  12          HD3       ARG  12  16.187   6.419   8.158
  100    HE   ARG  12           HE       ARG  12  15.486   8.582   7.757
  101   1HH1  ARG  12          HH21      ARG  12  12.659   6.509   8.233
  102   2HH1  ARG  12          HH22      ARG  12  11.587   7.829   8.608
  103   1HH2  ARG  12          HH11      ARG  12  14.096  10.300   8.205
  104   2HH2  ARG  12          HH12      ARG  12  12.415  10.023   8.568
  105    H    MET  13           H        MET  13  12.846   3.252   4.775
  106    HA   MET  13           HA       MET  13  15.353   1.840   4.631
  107   1HB   MET  13          HB2       MET  13  14.157  -0.192   4.914
  108   2HB   MET  13          HB3       MET  13  13.541   1.037   6.027
  109   1HG   MET  13          HG2       MET  13  11.660   1.445   4.477
  110   2HG   MET  13          HG3       MET  13  12.194   0.115   3.446
  111   1HE   MET  13          HE1       MET  13  13.064  -2.114   5.633
  112   2HE   MET  13          HE2       MET  13  11.523  -2.991   5.730
  113   3HE   MET  13          HE3       MET  13  12.116  -2.419   4.153
  114    H    GLN  14           H        GLN  14  12.785   2.415   2.228
  115    HA   GLN  14           HA       GLN  14  13.755   0.743   0.147
  116   1HB   GLN  14          HB2       GLN  14  11.566   1.833   0.163
  117   2HB   GLN  14          HB3       GLN  14  12.335   3.420   0.186
  118   1HG   GLN  14          HG2       GLN  14  13.205   3.015  -2.125
  119   2HG   GLN  14          HG3       GLN  14  12.355   1.456  -2.126
  120   1HE2  GLN  14          HE22      GLN  14  11.749   4.947  -1.381
  121   2HE2  GLN  14          HE21      GLN  14  10.086   4.958  -1.939
  122    H    GLU  15           H        GLU  15  14.541   4.161   1.005
  123    HA   GLU  15           HA       GLU  15  16.402   4.586  -1.072
  124   1HB   GLU  15          HB2       GLU  15  15.499   6.425   0.221
  125   2HB   GLU  15          HB3       GLU  15  16.225   5.815   1.712
  126   1HG   GLU  15          HG2       GLU  15  17.484   7.717   0.757
  127   2HG   GLU  15          HG3       GLU  15  18.472   6.262   0.899
  128    H    LYS  16           H        LYS  16  16.941   3.387   2.299
  129    HA   LYS  16           HA       LYS  16  19.753   2.982   1.996
  130   1HB   LYS  16          HB2       LYS  16  17.739   1.437   3.677
  131   2HB   LYS  16          HB3       LYS  16  19.489   1.311   3.841
  132   1HG   LYS  16          HG2       LYS  16  17.899   3.888   4.259
  133   2HG   LYS  16          HG3       LYS  16  18.409   2.775   5.532
  134   1HD   LYS  16          HD2       LYS  16  20.802   3.137   4.850
  135   2HD   LYS  16          HD3       LYS  16  20.252   4.360   3.683
  136   1HE   LYS  16          HE2       LYS  16  19.224   5.667   5.525
  137   2HE   LYS  16          HE3       LYS  16  19.787   4.459   6.697
  138   1HZ   LYS  16          HZ1       LYS  16  21.254   6.322   6.571
  139   2HZ   LYS  16          HZ2       LYS  16  22.027   4.964   6.049
  140   3HZ   LYS  16          HZ3       LYS  16  21.505   6.087   4.961
  141    H    GLU  17           H        GLU  17  17.047   0.735   1.402
  142    HA   GLU  17           HA       GLU  17  18.479  -1.539   0.692
  143   1HB   GLU  17          HB2       GLU  17  16.015  -1.386   1.125
  144   2HB   GLU  17          HB3       GLU  17  15.813  -0.567  -0.424
  145   1HG   GLU  17          HG2       GLU  17  15.183  -2.869  -0.674
  146   2HG   GLU  17          HG3       GLU  17  16.656  -2.593  -1.606
  147    H    ARG  18           H        ARG  18  17.322   1.134  -1.419
  148    HA   ARG  18           HA       ARG  18  18.530   0.091  -3.795
  149   1HB   ARG  18          HB2       ARG  18  16.804   1.767  -3.987
  150   2HB   ARG  18          HB3       ARG  18  17.703   2.902  -2.973
  151   1HG   ARG  18          HG2       ARG  18  17.846   3.566  -5.311
  152   2HG   ARG  18          HG3       ARG  18  19.439   3.156  -4.696
  153   1HD   ARG  18          HD2       ARG  18  19.065   0.801  -5.790
  154   2HD   ARG  18          HD3       ARG  18  17.658   1.530  -6.547
  155    HE   ARG  18           HE       ARG  18  19.029   2.765  -7.940
  156   1HH1  ARG  18          HH21      ARG  18  21.064   1.305  -5.375
  157   2HH1  ARG  18          HH22      ARG  18  22.519   1.420  -6.315
  158   1HH2  ARG  18          HH11      ARG  18  20.994   3.038  -9.071
  159   2HH2  ARG  18          HH12      ARG  18  22.498   2.505  -8.363
  160    H    ASN  19           H        ASN  19  19.609   2.557  -1.441
  161    HA   ASN  19           HA       ASN  19  21.848   3.468  -2.740
  162   1HB   ASN  19          HB2       ASN  19  20.865   4.515  -0.722
  163   2HB   ASN  19          HB3       ASN  19  21.515   3.200   0.273
  164   1HD2  ASN  19          HD22      ASN  19  22.375   5.966  -1.825
  165   2HD2  ASN  19          HD21      ASN  19  24.007   6.139  -1.200
  166    H    LYS  20           H        LYS  20  21.736   0.674  -0.454
  167    HA   LYS  20           HA       LYS  20  24.530   0.238  -0.431
  168   1HB   LYS  20          HB2       LYS  20  24.049  -2.088   0.167
  169   2HB   LYS  20          HB3       LYS  20  23.178  -0.912   1.157
  170   1HG   LYS  20          HG2       LYS  20  21.101  -1.411   0.183
  171   2HG   LYS  20          HG3       LYS  20  21.827  -2.146  -1.258
  172   1HD   LYS  20          HD2       LYS  20  22.606  -4.063   0.023
  173   2HD   LYS  20          HD3       LYS  20  22.094  -3.316   1.547
  174   1HE   LYS  20          HE2       LYS  20  20.512  -5.074   0.710
  175   2HE   LYS  20          HE3       LYS  20  19.761  -3.494   0.954
  176   1HZ   LYS  20          HZ1       LYS  20  19.889  -3.100  -1.377
  177   2HZ   LYS  20          HZ2       LYS  20  20.669  -4.535  -1.641
  178   3HZ   LYS  20          HZ3       LYS  20  19.108  -4.523  -1.099
  179    H    GLY  21           H        GLY  21  22.308  -0.332  -3.088
  180   1HA   GLY  21          HA2       GLY  21  24.051  -2.126  -4.598
  181   2HA   GLY  21          HA3       GLY  21  22.639  -1.224  -5.169
  182    H    GLN  22           H        GLN  22  25.945  -0.629  -3.938
  183    HA   GLN  22           HA       GLN  22  26.433   1.355  -6.122
  184   1HB   GLN  22          HB2       GLN  22  27.622   2.785  -4.560
  185   2HB   GLN  22          HB3       GLN  22  25.944   2.566  -4.052
  186   1HG   GLN  22          HG2       GLN  22  26.759   0.797  -2.406
  187   2HG   GLN  22          HG3       GLN  22  28.415   1.213  -2.865
  188   1HE2  GLN  22          HE22      GLN  22  25.356   2.750  -1.757
  189   2HE2  GLN  22          HE21      GLN  22  26.111   3.862  -0.639
  Start of MODEL   17
    1   1H    PHE   1          H1        PHE   1   2.943   7.232   0.199
    2   2H    PHE   1          H2        PHE   1   2.452   8.443  -0.803
    3   3H    PHE   1          H3        PHE   1   1.544   7.079  -0.660
    4    HA   PHE   1           HA       PHE   1   2.067   9.086   1.409
    5   1HB   PHE   1          HB2       PHE   1   0.455   9.947  -0.142
    6   2HB   PHE   1          HB3       PHE   1  -0.417   8.416  -0.193
    7    HD1  PHE   1           HD1      PHE   1  -2.239   8.013   1.276
    8    HD2  PHE   1           HD2      PHE   1   0.585  11.138   2.207
    9    HE1  PHE   1           HE1      PHE   1  -3.517   8.561   3.324
   10    HE2  PHE   1           HE2      PHE   1  -0.694  11.673   4.262
   11    HZ   PHE   1           HZ       PHE   1  -2.750  10.392   4.821
   12    H    VAL   2           H        VAL   2   0.409   6.067   0.635
   13    HA   VAL   2           HA       VAL   2  -1.066   5.488   2.744
   14    HB   VAL   2           HB       VAL   2  -0.966   4.079   0.889
   15   1HG1  VAL   2          HG11      VAL   2   1.761   3.010   1.727
   16   2HG1  VAL   2          HG12      VAL   2   0.768   2.486   0.366
   17   3HG1  VAL   2          HG13      VAL   2   1.466   4.109   0.367
   18   1HG2  VAL   2          HG21      VAL   2  -1.798   3.112   3.000
   19   2HG2  VAL   2          HG22      VAL   2  -1.103   1.886   1.926
   20   3HG2  VAL   2          HG23      VAL   2  -0.186   2.447   3.335
   21    HA   PRO   3           HA       PRO   3   2.074   5.837   5.915
   22   1HB   PRO   3          HB2       PRO   3   0.574   6.451   8.087
   23   2HB   PRO   3          HB3       PRO   3   0.704   7.538   6.681
   24   1HG   PRO   3          HG2       PRO   3  -1.486   5.504   7.202
   25   2HG   PRO   3          HG3       PRO   3  -1.683   7.252   6.869
   26   1HD   PRO   3          HD2       PRO   3  -1.853   5.392   4.889
   27   2HD   PRO   3          HD3       PRO   3  -1.067   6.975   4.598
   28    H    ILE   4           H        ILE   4   1.915   3.266   5.176
   29    HA   ILE   4           HA       ILE   4   0.849   1.463   7.060
   30    HB   ILE   4           HB       ILE   4   3.051   0.067   6.103
   31   1HG1  ILE   4          HG12      ILE   4   3.204   0.424   3.719
   32   2HG1  ILE   4          HG13      ILE   4   2.181   1.846   3.788
   33   1HG2  ILE   4          HG21      ILE   4   1.447  -0.932   4.538
   34   2HG2  ILE   4          HG22      ILE   4   0.735  -0.678   6.137
   35   3HG2  ILE   4          HG23      ILE   4   0.334   0.427   4.802
   36   1HD1  ILE   4          HD11      ILE   4   4.936   1.555   5.087
   37   2HD1  ILE   4          HD12      ILE   4   4.601   2.345   3.533
   38   3HD1  ILE   4          HD13      ILE   4   3.988   3.065   5.010
   39    H    PHE   5           H        PHE   5   4.202   2.532   6.853
   40    HA   PHE   5           HA       PHE   5   4.409   2.360   9.836
   41   1HB   PHE   5          HB2       PHE   5   6.794   2.122   8.003
   42   2HB   PHE   5          HB3       PHE   5   6.635   1.615   9.677
   43    HD1  PHE   5           HD1      PHE   5   4.499  -0.231   9.878
   44    HD2  PHE   5           HD2      PHE   5   7.080   0.384   6.472
   45    HE1  PHE   5           HE1      PHE   5   3.890  -2.467   9.004
   46    HE2  PHE   5           HE2      PHE   5   6.455  -1.844   5.601
   47    HZ   PHE   5           HZ       PHE   5   4.855  -3.271   6.854
   48    H    THR   6           H        THR   6   3.436   4.440   8.002
   49    HA   THR   6           HA       THR   6   3.649   6.668   7.593
   50    HB   THR   6           HB       THR   6   6.449   6.857   8.736
   51    HG1  THR   6           HG1      THR   6   5.449   5.887  10.353
   52   1HG2  THR   6          HG21      THR   6   4.065   8.753   8.722
   53   2HG2  THR   6          HG22      THR   6   5.447   8.825   7.601
   54   3HG2  THR   6          HG23      THR   6   5.692   9.098   9.337
   55    H    TYR   7           H        TYR   7   3.802   6.728   5.365
   56    HA   TYR   7           HA       TYR   7   5.264   5.035   3.843
   57   1HB   TYR   7          HB2       TYR   7   3.430   6.323   2.967
   58   2HB   TYR   7          HB3       TYR   7   4.332   7.831   3.112
   59    HD1  TYR   7           HD1      TYR   7   4.366   4.474   1.425
   60    HD2  TYR   7           HD2      TYR   7   5.732   8.564   1.308
   61    HE1  TYR   7           HE1      TYR   7   5.483   4.042  -0.741
   62    HE2  TYR   7           HE2      TYR   7   6.831   8.130  -0.871
   63    HH   TYR   7           HH       TYR   7   6.809   4.918  -2.425
   64    H    GLY   8           H        GLY   8   6.321   8.281   4.750
   65   1HA   GLY   8          HA2       GLY   8   8.670   8.633   3.345
   66   2HA   GLY   8          HA3       GLY   8   8.442   9.145   5.026
   67    H    GLU   9           H        GLU   9   8.204   6.511   6.226
   68    HA   GLU   9           HA       GLU   9  11.038   5.932   6.497
   69   1HB   GLU   9          HB2       GLU   9   8.581   4.598   7.710
   70   2HB   GLU   9          HB3       GLU   9  10.264   4.249   8.115
   71   1HG   GLU   9          HG2       GLU   9  10.548   6.736   8.659
   72   2HG   GLU   9          HG3       GLU   9   8.800   6.903   8.494
   73    H    LEU  10           H        LEU  10   8.266   4.421   4.820
   74    HA   LEU  10           HA       LEU  10   9.718   1.987   4.183
   75   1HB   LEU  10          HB2       LEU  10   7.271   2.031   4.126
   76   2HB   LEU  10          HB3       LEU  10   7.291   3.269   2.863
   77    HG   LEU  10           HG       LEU  10   8.378   1.692   1.294
   78   1HD1  LEU  10          HD11      LEU  10   8.116  -0.309   3.588
   79   2HD1  LEU  10          HD12      LEU  10   8.453  -0.744   1.900
   80   3HD1  LEU  10          HD13      LEU  10   9.624   0.217   2.803
   81   1HD2  LEU  10          HD21      LEU  10   5.911   1.866   1.413
   82   2HD2  LEU  10          HD22      LEU  10   6.451   0.250   0.929
   83   3HD2  LEU  10          HD23      LEU  10   5.885   0.527   2.587
   84    H    GLN  11           H        GLN  11   9.085   5.119   2.557
   85    HA   GLN  11           HA       GLN  11  10.543   4.547   0.205
   86   1HB   GLN  11          HB2       GLN  11   9.017   6.641   1.020
   87   2HB   GLN  11          HB3       GLN  11  10.614   7.366   1.229
   88   1HG   GLN  11          HG2       GLN  11   9.459   6.099  -1.305
   89   2HG   GLN  11          HG3       GLN  11   9.675   7.823  -0.996
   90   1HE2  GLN  11          HE22      GLN  11  11.221   4.904  -2.158
   91   2HE2  GLN  11          HE21      GLN  11  12.794   5.652  -2.436
   92    H    ARG  12           H        ARG  12  11.619   6.114   3.265
   93    HA   ARG  12           HA       ARG  12  14.342   6.400   2.733
   94   1HB   ARG  12          HB2       ARG  12  13.170   7.190   4.768
   95   2HB   ARG  12          HB3       ARG  12  13.019   5.517   5.313
   96   1HG   ARG  12          HG2       ARG  12  15.558   5.366   5.341
   97   2HG   ARG  12          HG3       ARG  12  15.597   7.091   4.936
   98   1HD   ARG  12          HD2       ARG  12  15.816   6.792   7.366
   99   2HD   ARG  12          HD3       ARG  12  14.270   7.576   6.980
  100    HE   ARG  12           HE       ARG  12  14.196   4.645   7.177
  101   1HH1  ARG  12          HH11      ARG  12  13.838   7.642   9.033
  102   2HH1  ARG  12          HH12      ARG  12  12.741   6.938  10.192
  103   1HH2  ARG  12          HH21      ARG  12  12.799   3.732   8.701
  104   2HH2  ARG  12          HH22      ARG  12  12.061   4.714   9.943
  105    H    MET  13           H        MET  13  12.651   3.446   3.994
  106    HA   MET  13           HA       MET  13  14.933   1.806   4.108
  107   1HB   MET  13          HB2       MET  13  12.700   1.296   5.082
  108   2HB   MET  13          HB3       MET  13  12.089   0.925   3.462
  109   1HG   MET  13          HG2       MET  13  13.745  -0.878   3.235
  110   2HG   MET  13          HG3       MET  13  14.407  -0.483   4.831
  111   1HE   MET  13          HE1       MET  13  13.538  -3.419   3.950
  112   2HE   MET  13          HE2       MET  13  14.210  -3.004   5.547
  113   3HE   MET  13          HE3       MET  13  12.708  -3.950   5.430
  114    H    GLN  14           H        GLN  14  12.680   2.358   1.340
  115    HA   GLN  14           HA       GLN  14  13.985   0.640  -0.524
  116   1HB   GLN  14          HB2       GLN  14  12.563   3.275  -1.022
  117   2HB   GLN  14          HB3       GLN  14  13.044   2.142  -2.277
  118   1HG   GLN  14          HG2       GLN  14  11.565   0.442  -1.477
  119   2HG   GLN  14          HG3       GLN  14  11.175   1.345  -0.011
  120   1HE2  GLN  14          HE22      GLN  14   9.132   0.423  -1.678
  121   2HE2  GLN  14          HE21      GLN  14   8.380   1.807  -2.451
  122    H    GLU  15           H        GLU  15  14.605   4.120   0.234
  123    HA   GLU  15           HA       GLU  15  16.771   4.379  -1.616
  124   1HB   GLU  15          HB2       GLU  15  16.329   5.904   0.990
  125   2HB   GLU  15          HB3       GLU  15  17.431   6.352  -0.317
  126   1HG   GLU  15          HG2       GLU  15  14.392   6.280  -0.451
  127   2HG   GLU  15          HG3       GLU  15  15.431   7.692  -0.521
  128    H    LYS  16           H        LYS  16  16.729   3.301   1.797
  129    HA   LYS  16           HA       LYS  16  19.545   3.091   2.092
  130   1HB   LYS  16          HB2       LYS  16  17.867   2.983   3.932
  131   2HB   LYS  16          HB3       LYS  16  17.408   1.358   3.398
  132   1HG   LYS  16          HG2       LYS  16  19.730   0.571   3.796
  133   2HG   LYS  16          HG3       LYS  16  20.192   2.214   4.292
  134   1HD   LYS  16          HD2       LYS  16  18.568   2.109   6.171
  135   2HD   LYS  16          HD3       LYS  16  18.031   0.512   5.630
  136   1HE   LYS  16          HE2       LYS  16  19.566   0.274   7.513
  137   2HE   LYS  16          HE3       LYS  16  20.290  -0.419   6.054
  138   1HZ   LYS  16          HZ1       LYS  16  20.866   2.248   7.153
  139   2HZ   LYS  16          HZ2       LYS  16  21.829   0.920   7.304
  140   3HZ   LYS  16          HZ3       LYS  16  21.572   1.586   5.820
  141    H    GLU  17           H        GLU  17  17.112   0.649   1.039
  142    HA   GLU  17           HA       GLU  17  18.904  -1.472   0.465
  143   1HB   GLU  17          HB2       GLU  17  16.282  -0.663  -0.856
  144   2HB   GLU  17          HB3       GLU  17  17.136  -2.170  -1.206
  145   1HG   GLU  17          HG2       GLU  17  16.893  -2.953   1.064
  146   2HG   GLU  17          HG3       GLU  17  16.267  -1.395   1.612
  147    H    ARG  18           H        ARG  18  17.719   1.144  -1.702
  148    HA   ARG  18           HA       ARG  18  19.201   0.433  -3.982
  149   1HB   ARG  18          HB2       ARG  18  17.361   2.121  -3.867
  150   2HB   ARG  18          HB3       ARG  18  18.471   3.242  -3.061
  151   1HG   ARG  18          HG2       ARG  18  19.968   3.170  -5.055
  152   2HG   ARG  18          HG3       ARG  18  18.865   2.029  -5.835
  153   1HD   ARG  18          HD2       ARG  18  18.449   4.304  -6.685
  154   2HD   ARG  18          HD3       ARG  18  17.055   3.694  -5.801
  155    HE   ARG  18           HE       ARG  18  17.251   5.385  -4.290
  156   1HH1  ARG  18          HH21      ARG  18  20.360   5.082  -5.942
  157   2HH1  ARG  18          HH22      ARG  18  21.036   6.523  -5.231
  158   1HH2  ARG  18          HH11      ARG  18  18.084   7.245  -3.385
  159   2HH2  ARG  18          HH12      ARG  18  19.718   7.778  -3.715
  160    H    ASN  19           H        ASN  19  20.111   2.650  -1.310
  161    HA   ASN  19           HA       ASN  19  22.663   3.398  -2.239
  162   1HB   ASN  19          HB2       ASN  19  21.660   4.583  -0.403
  163   2HB   ASN  19          HB3       ASN  19  21.533   3.113   0.566
  164   1HD2  ASN  19          HD22      ASN  19  24.078   5.090  -1.102
  165   2HD2  ASN  19          HD21      ASN  19  25.267   4.826   0.160
  166    H    LYS  20           H        LYS  20  21.766   0.644  -0.077
  167    HA   LYS  20           HA       LYS  20  24.464  -0.338   0.126
  168   1HB   LYS  20          HB2       LYS  20  21.787  -1.753   0.443
  169   2HB   LYS  20          HB3       LYS  20  23.347  -2.456   0.881
  170   1HG   LYS  20          HG2       LYS  20  22.192   0.089   2.119
  171   2HG   LYS  20          HG3       LYS  20  22.077  -1.538   2.799
  172   1HD   LYS  20          HD2       LYS  20  24.611  -1.629   2.855
  173   2HD   LYS  20          HD3       LYS  20  24.640   0.048   2.284
  174   1HE   LYS  20          HE2       LYS  20  24.936   0.058   4.667
  175   2HE   LYS  20          HE3       LYS  20  23.368   0.779   4.277
  176   1HZ   LYS  20          HZ1       LYS  20  22.344  -1.303   4.869
  177   2HZ   LYS  20          HZ2       LYS  20  23.811  -1.989   5.178
  178   3HZ   LYS  20          HZ3       LYS  20  23.264  -0.754   6.121
  179    H    GLY  21           H        GLY  21  21.841  -1.011  -2.194
  180   1HA   GLY  21          HA2       GLY  21  23.127  -3.094  -3.644
  181   2HA   GLY  21          HA3       GLY  21  21.900  -1.976  -4.266
  182    H    GLN  22           H        GLN  22  23.213   0.472  -4.020
  183    HA   GLN  22           HA       GLN  22  24.708   0.539  -6.408
  184   1HB   GLN  22          HB2       GLN  22  23.431   2.443  -5.544
  185   2HB   GLN  22          HB3       GLN  22  24.493   2.557  -4.137
  186   1HG   GLN  22          HG2       GLN  22  25.002   4.296  -5.745
  187   2HG   GLN  22          HG3       GLN  22  26.387   3.224  -5.571
  188   1HE2  GLN  22          HE22      GLN  22  26.746   1.589  -7.338
  189   2HE2  GLN  22          HE21      GLN  22  26.180   2.004  -8.953
  Start of MODEL   18
    1   1H    PHE   1          H1        PHE   1   3.515   8.138   0.802
    2   2H    PHE   1          H2        PHE   1   3.380   9.747   0.472
    3   3H    PHE   1          H3        PHE   1   2.124   8.733   0.153
    4    HA   PHE   1           HA       PHE   1   3.216   9.416   2.783
    5   1HB   PHE   1          HB2       PHE   1   1.928  11.247   1.874
    6   2HB   PHE   1          HB3       PHE   1   0.608  10.171   1.428
    7    HD1  PHE   1           HD1      PHE   1  -1.273  10.206   2.844
    8    HD2  PHE   1           HD2      PHE   1   2.616  11.056   4.512
    9    HE1  PHE   1           HE1      PHE   1  -2.299  10.563   5.068
   10    HE2  PHE   1           HE2      PHE   1   1.580  11.392   6.739
   11    HZ   PHE   1           HZ       PHE   1  -0.877  11.150   7.020
   12    H    VAL   2           H        VAL   2   0.526   7.855   1.135
   13    HA   VAL   2           HA       VAL   2  -1.057   6.396   2.356
   14    HB   VAL   2           HB       VAL   2  -0.405   4.267   1.201
   15   1HG1  VAL   2          HG11      VAL   2  -0.501   6.826  -0.452
   16   2HG1  VAL   2          HG12      VAL   2  -0.909   5.192  -1.006
   17   3HG1  VAL   2          HG13      VAL   2  -1.900   5.971   0.234
   18   1HG2  VAL   2          HG21      VAL   2   1.865   5.976   0.056
   19   2HG2  VAL   2          HG22      VAL   2   2.068   4.526   1.059
   20   3HG2  VAL   2          HG23      VAL   2   1.334   4.394  -0.533
   21    HA   PRO   3           HA       PRO   3   1.494   5.413   5.907
   22   1HB   PRO   3          HB2       PRO   3  -1.130   5.753   7.382
   23   2HB   PRO   3          HB3       PRO   3   0.499   6.313   7.851
   24   1HG   PRO   3          HG2       PRO   3  -1.262   8.037   6.744
   25   2HG   PRO   3          HG3       PRO   3   0.426   8.022   6.139
   26   1HD   PRO   3          HD2       PRO   3  -1.980   6.590   4.948
   27   2HD   PRO   3          HD3       PRO   3  -0.819   7.690   4.159
   28    H    ILE   4           H        ILE   4   1.430   3.188   4.720
   29    HA   ILE   4           HA       ILE   4  -0.174   1.172   5.982
   30    HB   ILE   4           HB       ILE   4   2.555   0.381   4.967
   31   1HG1  ILE   4          HG12      ILE   4   1.245   0.260   2.627
   32   2HG1  ILE   4          HG13      ILE   4   0.527   1.752   3.226
   33   1HG2  ILE   4          HG21      ILE   4  -0.214  -0.782   4.567
   34   2HG2  ILE   4          HG22      ILE   4   1.341  -1.537   4.157
   35   3HG2  ILE   4          HG23      ILE   4   0.925  -1.244   5.851
   36   1HD1  ILE   4          HD11      ILE   4   2.974   2.553   3.648
   37   2HD1  ILE   4          HD12      ILE   4   3.481   1.057   2.858
   38   3HD1  ILE   4          HD13      ILE   4   2.555   2.259   1.945
   39    H    PHE   5           H        PHE   5   3.253   1.889   6.328
   40    HA   PHE   5           HA       PHE   5   3.057   1.651   9.306
   41   1HB   PHE   5          HB2       PHE   5   5.564   1.126   7.704
   42   2HB   PHE   5          HB3       PHE   5   5.256   0.727   9.387
   43    HD1  PHE   5           HD1      PHE   5   6.127  -0.910   6.666
   44    HD2  PHE   5           HD2      PHE   5   2.687  -0.776   9.268
   45    HE1  PHE   5           HE1      PHE   5   5.375  -3.101   5.792
   46    HE2  PHE   5           HE2      PHE   5   1.953  -2.974   8.403
   47    HZ   PHE   5           HZ       PHE   5   3.277  -4.130   6.640
   48    H    THR   6           H        THR   6   2.645   3.825   7.289
   49    HA   THR   6           HA       THR   6   3.121   6.087   7.121
   50    HB   THR   6           HB       THR   6   5.775   5.840   8.551
   51    HG1  THR   6           HG1      THR   6   4.381   5.025   9.989
   52   1HG2  THR   6          HG21      THR   6   5.243   7.931   7.323
   53   2HG2  THR   6          HG22      THR   6   3.740   8.088   8.263
   54   3HG2  THR   6          HG23      THR   6   5.311   8.174   9.079
   55    H    TYR   7           H        TYR   7   3.517   6.202   4.843
   56    HA   TYR   7           HA       TYR   7   5.229   4.443   3.569
   57   1HB   TYR   7          HB2       TYR   7   3.541   5.731   2.375
   58   2HB   TYR   7          HB3       TYR   7   4.475   7.218   2.639
   59    HD1  TYR   7           HD1      TYR   7   5.916   7.931   0.916
   60    HD2  TYR   7           HD2      TYR   7   4.953   3.739   1.246
   61    HE1  TYR   7           HE1      TYR   7   7.519   7.418  -0.893
   62    HE2  TYR   7           HE2      TYR   7   6.655   3.220  -0.480
   63    HH   TYR   7           HH       TYR   7   8.741   5.750  -1.911
   64    H    GLY   8           H        GLY   8   6.052   7.580   4.935
   65   1HA   GLY   8          HA2       GLY   8   8.598   8.129   4.036
   66   2HA   GLY   8          HA3       GLY   8   8.080   8.338   5.716
   67    H    GLU   9           H        GLU   9   7.674   5.530   6.357
   68    HA   GLU   9           HA       GLU   9  10.353   4.845   7.153
   69   1HB   GLU   9          HB2       GLU   9   8.291   4.241   8.423
   70   2HB   GLU   9          HB3       GLU   9   7.804   3.159   7.114
   71   1HG   GLU   9          HG2       GLU   9   9.923   1.841   7.475
   72   2HG   GLU   9          HG3       GLU   9  10.310   2.908   8.834
   73    H    LEU  10           H        LEU  10   8.070   3.527   4.716
   74    HA   LEU  10           HA       LEU  10   9.862   1.521   3.683
   75   1HB   LEU  10          HB2       LEU  10   7.420   2.886   2.462
   76   2HB   LEU  10          HB3       LEU  10   8.362   1.622   1.678
   77    HG   LEU  10           HG       LEU  10   7.887   0.105   3.658
   78   1HD1  LEU  10          HD11      LEU  10   5.891   2.328   4.296
   79   2HD1  LEU  10          HD12      LEU  10   5.725   0.665   4.874
   80   3HD1  LEU  10          HD13      LEU  10   7.114   1.625   5.382
   81   1HD2  LEU  10          HD21      LEU  10   5.614   1.127   1.910
   82   2HD2  LEU  10          HD22      LEU  10   6.796  -0.127   1.489
   83   3HD2  LEU  10          HD23      LEU  10   5.618  -0.430   2.776
   84    H    GLN  11           H        GLN  11   9.259   4.957   2.914
   85    HA   GLN  11           HA       GLN  11  10.762   4.933   0.523
   86   1HB   GLN  11          HB2       GLN  11   9.114   6.684   1.157
   87   2HB   GLN  11          HB3       GLN  11  10.238   7.302   2.370
   88   1HG   GLN  11          HG2       GLN  11  10.253   8.591   0.229
   89   2HG   GLN  11          HG3       GLN  11  11.837   7.952   0.663
   90   1HE2  GLN  11          HE22      GLN  11  12.671   6.065  -0.530
   91   2HE2  GLN  11          HE21      GLN  11  12.061   5.765  -2.154
   92    H    ARG  12           H        ARG  12  11.636   5.848   3.864
   93    HA   ARG  12           HA       ARG  12  14.375   6.416   3.443
   94   1HB   ARG  12          HB2       ARG  12  13.072   6.905   5.492
   95   2HB   ARG  12          HB3       ARG  12  13.021   5.177   5.883
   96   1HG   ARG  12          HG2       ARG  12  15.517   5.142   5.992
   97   2HG   ARG  12          HG3       ARG  12  15.543   6.870   5.599
   98   1HD   ARG  12          HD2       ARG  12  14.246   5.580   8.045
   99   2HD   ARG  12          HD3       ARG  12  15.779   6.441   8.065
  100    HE   ARG  12           HE       ARG  12  13.088   7.541   8.058
  101   1HH1  ARG  12          HH21      ARG  12  16.428   8.266   7.188
  102   2HH1  ARG  12          HH22      ARG  12  16.222   9.997   7.241
  103   1HH2  ARG  12          HH11      ARG  12  12.794   9.791   8.133
  104   2HH2  ARG  12          HH12      ARG  12  14.112  10.877   7.790
  105    H    MET  13           H        MET  13  12.718   3.329   4.296
  106    HA   MET  13           HA       MET  13  14.999   1.709   4.368
  107   1HB   MET  13          HB2       MET  13  12.676   1.108   5.093
  108   2HB   MET  13          HB3       MET  13  12.217   0.908   3.392
  109   1HG   MET  13          HG2       MET  13  13.992  -0.845   3.166
  110   2HG   MET  13          HG3       MET  13  14.345  -0.675   4.889
  111   1HE   MET  13          HE1       MET  13  12.601  -1.318   6.805
  112   2HE   MET  13          HE2       MET  13  11.260  -0.396   6.071
  113   3HE   MET  13          HE3       MET  13  11.037  -2.106   6.489
  114    H    GLN  14           H        GLN  14  12.891   2.419   1.522
  115    HA   GLN  14           HA       GLN  14  14.416   0.970  -0.382
  116   1HB   GLN  14          HB2       GLN  14  12.675   3.442  -0.598
  117   2HB   GLN  14          HB3       GLN  14  13.451   2.717  -2.010
  118   1HG   GLN  14          HG2       GLN  14  12.268   0.672  -1.798
  119   2HG   GLN  14          HG3       GLN  14  11.699   1.052  -0.169
  120   1HE2  GLN  14          HE22      GLN  14  10.276   2.916   0.083
  121   2HE2  GLN  14          HE21      GLN  14   9.194   3.416  -1.232
  122    H    GLU  15           H        GLU  15  14.771   4.413   0.680
  123    HA   GLU  15           HA       GLU  15  16.918   5.064  -1.052
  124   1HB   GLU  15          HB2       GLU  15  16.242   6.051   1.743
  125   2HB   GLU  15          HB3       GLU  15  17.568   6.707   0.781
  126   1HG   GLU  15          HG2       GLU  15  16.091   7.472  -0.949
  127   2HG   GLU  15          HG3       GLU  15  14.710   6.625  -0.252
  128    H    LYS  16           H        LYS  16  17.066   3.680   2.290
  129    HA   LYS  16           HA       LYS  16  19.943   3.518   2.301
  130   1HB   LYS  16          HB2       LYS  16  17.711   2.357   3.962
  131   2HB   LYS  16          HB3       LYS  16  19.327   1.661   4.093
  132   1HG   LYS  16          HG2       LYS  16  18.962   3.397   5.782
  133   2HG   LYS  16          HG3       LYS  16  20.326   3.749   4.713
  134   1HD   LYS  16          HD2       LYS  16  18.947   5.370   3.445
  135   2HD   LYS  16          HD3       LYS  16  17.547   4.983   4.464
  136   1HE   LYS  16          HE2       LYS  16  18.733   5.841   6.448
  137   2HE   LYS  16          HE3       LYS  16  20.187   6.134   5.475
  138   1HZ   LYS  16          HZ1       LYS  16  18.912   8.116   5.782
  139   2HZ   LYS  16          HZ2       LYS  16  18.958   7.707   4.188
  140   3HZ   LYS  16          HZ3       LYS  16  17.590   7.439   5.064
  141    H    GLU  17           H        GLU  17  17.414   1.139   1.442
  142    HA   GLU  17           HA       GLU  17  19.093  -1.050   0.947
  143   1HB   GLU  17          HB2       GLU  17  16.623  -1.096   1.090
  144   2HB   GLU  17          HB3       GLU  17  16.499  -0.347  -0.506
  145   1HG   GLU  17          HG2       GLU  17  18.040  -2.948  -0.072
  146   2HG   GLU  17          HG3       GLU  17  16.284  -2.938  -0.238
  147    H    ARG  18           H        ARG  18  18.030   1.553  -1.335
  148    HA   ARG  18           HA       ARG  18  19.644   0.475  -3.445
  149   1HB   ARG  18          HB2       ARG  18  17.626   1.891  -3.812
  150   2HB   ARG  18          HB3       ARG  18  18.512   3.280  -3.179
  151   1HG   ARG  18          HG2       ARG  18  18.466   3.250  -5.644
  152   2HG   ARG  18          HG3       ARG  18  20.118   3.169  -5.038
  153   1HD   ARG  18          HD2       ARG  18  19.682   1.664  -6.981
  154   2HD   ARG  18          HD3       ARG  18  20.280   0.808  -5.576
  155    HE   ARG  18           HE       ARG  18  17.410   0.969  -6.462
  156   1HH1  ARG  18          HH21      ARG  18  19.990  -1.152  -5.137
  157   2HH1  ARG  18          HH22      ARG  18  18.837  -2.153  -4.296
  158   1HH2  ARG  18          HH11      ARG  18  15.982  -0.482  -5.536
  159   2HH2  ARG  18          HH12      ARG  18  16.553  -1.786  -4.533
  160    H    ASN  19           H        ASN  19  20.244   2.995  -1.008
  161    HA   ASN  19           HA       ASN  19  22.667   4.001  -2.024
  162   1HB   ASN  19          HB2       ASN  19  21.559   5.046  -0.135
  163   2HB   ASN  19          HB3       ASN  19  21.786   3.593   0.850
  164   1HD2  ASN  19          HD22      ASN  19  23.849   5.817  -1.166
  165   2HD2  ASN  19          HD21      ASN  19  25.142   5.861   0.017
  166    H    LYS  20           H        LYS  20  22.111   1.164   0.119
  167    HA   LYS  20           HA       LYS  20  24.910   0.379   0.055
  168   1HB   LYS  20          HB2       LYS  20  23.484  -0.233   1.918
  169   2HB   LYS  20          HB3       LYS  20  22.359  -1.080   0.856
  170   1HG   LYS  20          HG2       LYS  20  23.787  -2.626   2.101
  171   2HG   LYS  20          HG3       LYS  20  24.026  -2.803   0.361
  172   1HD   LYS  20          HD2       LYS  20  26.126  -1.516   0.476
  173   2HD   LYS  20          HD3       LYS  20  25.850  -1.176   2.200
  174   1HE   LYS  20          HE2       LYS  20  25.989  -3.611   2.690
  175   2HE   LYS  20          HE3       LYS  20  26.228  -3.947   0.963
  176   1HZ   LYS  20          HZ1       LYS  20  28.285  -3.901   2.150
  177   2HZ   LYS  20          HZ2       LYS  20  28.239  -2.671   1.055
  178   3HZ   LYS  20          HZ3       LYS  20  28.020  -2.356   2.659
  179    H    GLY  21           H        GLY  21  21.945  -0.979  -1.423
  180   1HA   GLY  21          HA2       GLY  21  23.340  -2.929  -3.022
  181   2HA   GLY  21          HA3       GLY  21  21.611  -2.558  -3.012
  182    H    GLN  22           H        GLN  22  24.710  -1.061  -3.987
  183    HA   GLN  22           HA       GLN  22  23.769  -0.843  -6.758
  184   1HB   GLN  22          HB2       GLN  22  24.394   1.521  -6.975
  185   2HB   GLN  22          HB3       GLN  22  23.046   1.296  -5.855
  186   1HG   GLN  22          HG2       GLN  22  24.652   1.486  -3.932
  187   2HG   GLN  22          HG3       GLN  22  25.968   1.769  -5.079
  188   1HE2  GLN  22          HE22      GLN  22  22.690   2.990  -4.286
  189   2HE2  GLN  22          HE21      GLN  22  23.057   4.687  -4.632
  Start of MODEL   19
    1   1H    PHE   1          H1        PHE   1  -0.969   8.037  -1.366
    2   2H    PHE   1          H2        PHE   1  -1.668   7.917   0.116
    3   3H    PHE   1          H3        PHE   1  -1.471   6.569  -0.818
    4    HA   PHE   1           HA       PHE   1   0.880   6.772  -0.738
    5   1HB   PHE   1          HB2       PHE   1   2.004   8.319   0.637
    6   2HB   PHE   1          HB3       PHE   1   0.925   9.220  -0.416
    7    HD1  PHE   1           HD1      PHE   1  -1.378   9.985   0.593
    8    HD2  PHE   1           HD2      PHE   1   2.027   8.774   2.949
    9    HE1  PHE   1           HE1      PHE   1  -2.316  11.160   2.559
   10    HE2  PHE   1           HE2      PHE   1   1.139  10.060   4.874
   11    HZ   PHE   1           HZ       PHE   1  -1.058  11.207   4.702
   12    H    VAL   2           H        VAL   2  -1.720   6.565   1.503
   13    HA   VAL   2           HA       VAL   2  -2.093   5.324   3.376
   14    HB   VAL   2           HB       VAL   2  -0.841   3.178   1.650
   15   1HG1  VAL   2          HG11      VAL   2  -2.636   1.807   2.588
   16   2HG1  VAL   2          HG12      VAL   2  -1.762   2.553   3.933
   17   3HG1  VAL   2          HG13      VAL   2  -3.327   3.208   3.431
   18   1HG2  VAL   2          HG21      VAL   2  -3.523   4.589   1.321
   19   2HG2  VAL   2          HG22      VAL   2  -2.197   4.526   0.136
   20   3HG2  VAL   2          HG23      VAL   2  -3.080   3.056   0.545
   21    HA   PRO   3           HA       PRO   3   2.237   5.468   4.933
   22   1HB   PRO   3          HB2       PRO   3   1.931   7.137   7.096
   23   2HB   PRO   3          HB3       PRO   3   1.860   7.716   5.413
   24   1HG   PRO   3          HG2       PRO   3  -0.458   6.928   7.202
   25   2HG   PRO   3          HG3       PRO   3  -0.245   8.477   6.337
   26   1HD   PRO   3          HD2       PRO   3  -1.716   6.442   5.303
   27   2HD   PRO   3          HD3       PRO   3  -0.697   7.450   4.235
   28    H    ILE   4           H        ILE   4   1.241   3.080   5.259
   29    HA   ILE   4           HA       ILE   4   0.143   2.203   7.597
   30    HB   ILE   4           HB       ILE   4   1.103   0.036   7.169
   31   1HG1  ILE   4          HG12      ILE   4   3.302   0.320   6.313
   32   2HG1  ILE   4          HG13      ILE   4   2.328  -0.539   5.149
   33   1HG2  ILE   4          HG21      ILE   4   0.007   1.330   4.648
   34   2HG2  ILE   4          HG22      ILE   4  -0.065  -0.388   5.068
   35   3HG2  ILE   4          HG23      ILE   4  -0.953   0.795   6.041
   36   1HD1  ILE   4          HD11      ILE   4   3.263   2.353   4.928
   37   2HD1  ILE   4          HD12      ILE   4   3.743   0.960   3.971
   38   3HD1  ILE   4          HD13      ILE   4   2.105   1.582   3.807
   39    H    PHE   5           H        PHE   5   3.614   2.341   7.018
   40    HA   PHE   5           HA       PHE   5   4.103   2.313   9.998
   41   1HB   PHE   5          HB2       PHE   5   6.180   1.624   7.934
   42   2HB   PHE   5          HB3       PHE   5   6.175   1.243   9.650
   43    HD1  PHE   5           HD1      PHE   5   3.455  -0.095   9.907
   44    HD2  PHE   5           HD2      PHE   5   6.560  -0.455   6.934
   45    HE1  PHE   5           HE1      PHE   5   2.510  -2.265   9.175
   46    HE2  PHE   5           HE2      PHE   5   5.610  -2.623   6.205
   47    HZ   PHE   5           HZ       PHE   5   3.564  -3.511   7.290
   48    H    THR   6           H        THR   6   3.381   4.493   8.090
   49    HA   THR   6           HA       THR   6   3.996   6.643   7.648
   50    HB   THR   6           HB       THR   6   6.865   6.279   8.549
   51    HG1  THR   6           HG1      THR   6   5.730   5.578  10.262
   52   1HG2  THR   6          HG21      THR   6   4.939   8.636   8.601
   53   2HG2  THR   6          HG22      THR   6   6.644   8.647   9.088
   54   3HG2  THR   6          HG23      THR   6   6.217   8.373   7.388
   55    H    TYR   7           H        TYR   7   3.995   6.716   5.433
   56    HA   TYR   7           HA       TYR   7   5.185   4.933   3.682
   57   1HB   TYR   7          HB2       TYR   7   3.422   6.556   3.107
   58   2HB   TYR   7          HB3       TYR   7   4.568   7.886   3.250
   59    HD1  TYR   7           HD1      TYR   7   5.829   8.564   1.338
   60    HD2  TYR   7           HD2      TYR   7   3.844   4.734   1.345
   61    HE1  TYR   7           HE1      TYR   7   6.543   8.185  -1.001
   62    HE2  TYR   7           HE2      TYR   7   4.583   4.354  -0.993
   63    HH   TYR   7           HH       TYR   7   7.185   6.192  -2.297
   64    H    GLY   8           H        GLY   8   6.492   7.957   4.900
   65   1HA   GLY   8          HA2       GLY   8   8.930   8.313   3.655
   66   2HA   GLY   8          HA3       GLY   8   8.592   8.670   5.348
   67    H    GLU   9           H        GLU   9   8.139   5.887   6.200
   68    HA   GLU   9           HA       GLU   9  10.838   5.217   6.896
   69   1HB   GLU   9          HB2       GLU   9   8.795   4.661   8.261
   70   2HB   GLU   9          HB3       GLU   9   8.330   3.481   7.025
   71   1HG   GLU   9          HG2       GLU   9  10.543   2.307   7.416
   72   2HG   GLU   9          HG3       GLU   9  10.840   3.435   8.748
   73    H    LEU  10           H        LEU  10   8.429   3.799   4.620
   74    HA   LEU  10           HA       LEU  10  10.241   1.794   3.627
   75   1HB   LEU  10          HB2       LEU  10   7.762   2.988   2.328
   76   2HB   LEU  10          HB3       LEU  10   8.643   1.561   1.769
   77    HG   LEU  10           HG       LEU  10   7.117   1.846   4.398
   78   1HD1  LEU  10          HD11      LEU  10   5.722   1.505   2.399
   79   2HD1  LEU  10          HD12      LEU  10   6.717   0.115   1.915
   80   3HD1  LEU  10          HD13      LEU  10   5.743   0.031   3.391
   81   1HD2  LEU  10          HD21      LEU  10   7.636  -0.616   4.664
   82   2HD2  LEU  10          HD22      LEU  10   8.842  -0.455   3.373
   83   3HD2  LEU  10          HD23      LEU  10   9.028   0.435   4.905
   84    H    GLN  11           H        GLN  11   9.656   5.192   2.718
   85    HA   GLN  11           HA       GLN  11  11.238   5.032   0.315
   86   1HB   GLN  11          HB2       GLN  11  11.002   7.513   2.050
   87   2HB   GLN  11          HB3       GLN  11  11.395   7.385   0.337
   88   1HG   GLN  11          HG2       GLN  11   8.722   7.164   1.685
   89   2HG   GLN  11          HG3       GLN  11   9.201   8.117   0.296
   90   1HE2  GLN  11          HE22      GLN  11   7.916   5.068   1.408
   91   2HE2  GLN  11          HE21      GLN  11   7.686   4.353  -0.190
   92    H    ARG  12           H        ARG  12  12.085   5.850   3.714
   93    HA   ARG  12           HA       ARG  12  14.882   6.187   3.273
   94   1HB   ARG  12          HB2       ARG  12  13.271   5.370   5.703
   95   2HB   ARG  12          HB3       ARG  12  15.028   5.596   5.754
   96   1HG   ARG  12          HG2       ARG  12  14.919   7.877   5.274
   97   2HG   ARG  12          HG3       ARG  12  13.346   7.756   4.494
   98   1HD   ARG  12          HD2       ARG  12  12.271   7.320   6.721
   99   2HD   ARG  12          HD3       ARG  12  13.858   7.461   7.484
  100    HE   ARG  12           HE       ARG  12  13.674   9.724   7.423
  101   1HH1  ARG  12          HH21      ARG  12  11.450   8.422   4.976
  102   2HH1  ARG  12          HH22      ARG  12  10.826   9.994   4.537
  103   1HH2  ARG  12          HH11      ARG  12  12.813  11.750   6.880
  104   2HH2  ARG  12          HH12      ARG  12  11.578  11.904   5.662
  105    H    MET  13           H        MET  13  13.011   3.202   4.069
  106    HA   MET  13           HA       MET  13  15.248   1.440   4.021
  107   1HB   MET  13          HB2       MET  13  12.368   0.948   3.156
  108   2HB   MET  13          HB3       MET  13  13.590  -0.307   3.295
  109   1HG   MET  13          HG2       MET  13  12.572   1.448   5.563
  110   2HG   MET  13          HG3       MET  13  12.181  -0.244   5.290
  111   1HE   MET  13          HE1       MET  13  15.603  -1.989   6.168
  112   2HE   MET  13          HE2       MET  13  13.954  -2.221   5.538
  113   3HE   MET  13          HE3       MET  13  15.190  -1.404   4.544
  114    H    GLN  14           H        GLN  14  13.212   2.656   1.289
  115    HA   GLN  14           HA       GLN  14  14.661   1.245  -0.656
  116   1HB   GLN  14          HB2       GLN  14  12.452   2.424  -0.995
  117   2HB   GLN  14          HB3       GLN  14  13.330   3.952  -1.094
  118   1HG   GLN  14          HG2       GLN  14  12.813   3.002  -3.331
  119   2HG   GLN  14          HG3       GLN  14  14.546   3.221  -3.063
  120   1HE2  GLN  14          HE22      GLN  14  12.236   0.593  -2.084
  121   2HE2  GLN  14          HE21      GLN  14  13.264  -0.691  -2.704
  122    H    GLU  15           H        GLU  15  15.353   4.465   0.783
  123    HA   GLU  15           HA       GLU  15  17.647   5.033  -0.810
  124   1HB   GLU  15          HB2       GLU  15  17.353   5.659   2.163
  125   2HB   GLU  15          HB3       GLU  15  18.473   6.390   1.023
  126   1HG   GLU  15          HG2       GLU  15  15.441   6.683   0.984
  127   2HG   GLU  15          HG3       GLU  15  16.623   7.903   1.439
  128    H    LYS  16           H        LYS  16  17.382   3.085   2.211
  129    HA   LYS  16           HA       LYS  16  20.158   2.389   2.311
  130   1HB   LYS  16          HB2       LYS  16  17.802   0.737   3.304
  131   2HB   LYS  16          HB3       LYS  16  19.493   0.519   3.742
  132   1HG   LYS  16          HG2       LYS  16  17.776   2.946   4.394
  133   2HG   LYS  16          HG3       LYS  16  18.250   1.658   5.500
  134   1HD   LYS  16          HD2       LYS  16  20.670   2.278   5.109
  135   2HD   LYS  16          HD3       LYS  16  20.121   3.675   4.163
  136   1HE   LYS  16          HE2       LYS  16  19.453   3.140   7.094
  137   2HE   LYS  16          HE3       LYS  16  20.648   4.300   6.490
  138   1HZ   LYS  16          HZ1       LYS  16  18.599   5.368   7.002
  139   2HZ   LYS  16          HZ2       LYS  16  18.876   5.459   5.380
  140   3HZ   LYS  16          HZ3       LYS  16  17.761   4.398   5.968
  141    H    GLU  17           H        GLU  17  17.411   0.695   0.746
  142    HA   GLU  17           HA       GLU  17  18.829  -1.521  -0.280
  143   1HB   GLU  17          HB2       GLU  17  16.488   0.029  -1.456
  144   2HB   GLU  17          HB3       GLU  17  17.073  -1.500  -2.100
  145   1HG   GLU  17          HG2       GLU  17  16.477  -2.716  -0.141
  146   2HG   GLU  17          HG3       GLU  17  16.239  -1.254   0.815
  147    H    ARG  18           H        ARG  18  18.267   1.699  -1.822
  148    HA   ARG  18           HA       ARG  18  19.812   1.129  -4.129
  149   1HB   ARG  18          HB2       ARG  18  18.187   3.093  -3.666
  150   2HB   ARG  18          HB3       ARG  18  19.586   3.907  -2.939
  151   1HG   ARG  18          HG2       ARG  18  20.831   3.394  -5.156
  152   2HG   ARG  18          HG3       ARG  18  19.269   2.853  -5.786
  153   1HD   ARG  18          HD2       ARG  18  20.125   5.649  -4.983
  154   2HD   ARG  18          HD3       ARG  18  19.548   5.079  -6.533
  155    HE   ARG  18           HE       ARG  18  17.322   4.965  -5.769
  156   1HH1  ARG  18          HH21      ARG  18  19.470   6.297  -3.271
  157   2HH1  ARG  18          HH22      ARG  18  18.186   7.101  -2.416
  158   1HH2  ARG  18          HH11      ARG  18  15.638   5.880  -4.556
  159   2HH2  ARG  18          HH12      ARG  18  15.965   6.729  -3.066
  160    H    ASN  19           H        ASN  19  20.748   2.607  -0.992
  161    HA   ASN  19           HA       ASN  19  23.436   3.187  -1.631
  162   1HB   ASN  19          HB2       ASN  19  22.099   3.858   0.433
  163   2HB   ASN  19          HB3       ASN  19  22.450   2.260   1.096
  164   1HD2  ASN  19          HD22      ASN  19  25.350   2.353  -0.159
  165   2HD2  ASN  19          HD21      ASN  19  26.138   3.477   0.928
  166    H    LYS  20           H        LYS  20  21.932   0.172  -0.402
  167    HA   LYS  20           HA       LYS  20  24.383  -1.277  -0.129
  168   1HB   LYS  20          HB2       LYS  20  22.298  -1.882   1.040
  169   2HB   LYS  20          HB3       LYS  20  21.513  -2.231  -0.496
  170   1HG   LYS  20          HG2       LYS  20  22.195  -4.289   0.632
  171   2HG   LYS  20          HG3       LYS  20  22.980  -4.113  -0.929
  172   1HD   LYS  20          HD2       LYS  20  24.522  -4.986   0.781
  173   2HD   LYS  20          HD3       LYS  20  25.093  -3.467   0.106
  174   1HE   LYS  20          HE2       LYS  20  25.417  -3.571   2.553
  175   2HE   LYS  20          HE3       LYS  20  24.334  -2.245   2.123
  176   1HZ   LYS  20          HZ1       LYS  20  22.488  -3.639   2.717
  177   2HZ   LYS  20          HZ2       LYS  20  23.495  -4.888   3.097
  178   3HZ   LYS  20          HZ3       LYS  20  23.533  -3.499   3.983
  179    H    GLY  21           H        GLY  21  21.919  -1.139  -2.734
  180   1HA   GLY  21          HA2       GLY  21  23.650  -2.711  -4.582
  181   2HA   GLY  21          HA3       GLY  21  21.955  -2.258  -4.800
  182    H    GLN  22           H        GLN  22  24.858  -0.327  -3.987
  183    HA   GLN  22           HA       GLN  22  24.042   1.863  -5.599
  184   1HB   GLN  22          HB2       GLN  22  26.082   2.921  -5.076
  185   2HB   GLN  22          HB3       GLN  22  25.527   2.079  -3.638
  186   1HG   GLN  22          HG2       GLN  22  27.790   1.249  -5.524
  187   2HG   GLN  22          HG3       GLN  22  27.957   1.898  -3.894
  188   1HE2  GLN  22          HE22      GLN  22  26.215   0.448  -2.319
  189   2HE2  GLN  22          HE21      GLN  22  26.489  -1.268  -2.509
  Start of MODEL   20
    1   1H    PHE   1          H1        PHE   1  -5.086   5.480   0.663
    2   2H    PHE   1          H2        PHE   1  -4.472   6.718  -0.244
    3   3H    PHE   1          H3        PHE   1  -5.156   7.018   1.233
    4    HA   PHE   1           HA       PHE   1  -2.743   5.439   0.808
    5   1HB   PHE   1          HB2       PHE   1  -2.310   7.782   0.304
    6   2HB   PHE   1          HB3       PHE   1  -3.114   8.291   1.785
    7    HD1  PHE   1           HD1      PHE   1  -1.901   8.468   3.839
    8    HD2  PHE   1           HD2      PHE   1  -0.166   6.342   0.510
    9    HE1  PHE   1           HE1      PHE   1   0.250   8.306   5.059
   10    HE2  PHE   1           HE2      PHE   1   1.976   6.163   1.747
   11    HZ   PHE   1           HZ       PHE   1   2.194   7.164   4.012
   12    H    VAL   2           H        VAL   2  -1.744   4.683   2.729
   13    HA   VAL   2           HA       VAL   2  -3.038   5.189   5.300
   14    HB   VAL   2           HB       VAL   2  -2.733   2.753   5.902
   15   1HG1  VAL   2          HG11      VAL   2  -4.884   2.047   5.010
   16   2HG1  VAL   2          HG12      VAL   2  -4.957   3.758   5.466
   17   3HG1  VAL   2          HG13      VAL   2  -4.823   3.299   3.756
   18   1HG2  VAL   2          HG21      VAL   2  -1.309   2.035   3.996
   19   2HG2  VAL   2          HG22      VAL   2  -2.775   1.061   4.140
   20   3HG2  VAL   2          HG23      VAL   2  -2.665   2.301   2.881
   21    HA   PRO   3           HA       PRO   3   1.253   5.814   5.933
   22   1HB   PRO   3          HB2       PRO   3   1.462   6.100   8.632
   23   2HB   PRO   3          HB3       PRO   3   0.439   7.176   7.647
   24   1HG   PRO   3          HG2       PRO   3  -0.452   4.688   9.141
   25   2HG   PRO   3          HG3       PRO   3  -1.127   6.339   9.285
   26   1HD   PRO   3          HD2       PRO   3  -2.245   4.500   7.617
   27   2HD   PRO   3          HD3       PRO   3  -2.114   6.219   7.137
   28    H    ILE   4           H        ILE   4   1.002   3.219   5.182
   29    HA   ILE   4           HA       ILE   4   1.553   1.159   6.911
   30    HB   ILE   4           HB       ILE   4   3.075   0.381   4.735
   31   1HG1  ILE   4          HG12      ILE   4   1.995   1.039   2.701
   32   2HG1  ILE   4          HG13      ILE   4   0.928   2.163   3.525
   33   1HG2  ILE   4          HG21      ILE   4   0.057   0.314   5.034
   34   2HG2  ILE   4          HG22      ILE   4   1.223  -0.837   5.720
   35   3HG2  ILE   4          HG23      ILE   4   1.020  -0.730   3.966
   36   1HD1  ILE   4          HD11      ILE   4   2.780   3.210   2.244
   37   2HD1  ILE   4          HD12      ILE   4   2.777   3.697   3.932
   38   3HD1  ILE   4          HD13      ILE   4   3.951   2.477   3.353
   39    H    PHE   5           H        PHE   5   4.010   3.093   5.335
   40    HA   PHE   5           HA       PHE   5   5.858   2.618   7.635
   41   1HB   PHE   5          HB2       PHE   5   6.673   2.892   4.728
   42   2HB   PHE   5          HB3       PHE   5   7.746   2.583   6.079
   43    HD1  PHE   5           HD1      PHE   5   5.940   1.035   3.432
   44    HD2  PHE   5           HD2      PHE   5   7.201   0.407   7.512
   45    HE1  PHE   5           HE1      PHE   5   5.674  -1.407   3.142
   46    HE2  PHE   5           HE2      PHE   5   6.936  -2.037   7.210
   47    HZ   PHE   5           HZ       PHE   5   6.175  -2.951   5.026
   48    H    THR   6           H        THR   6   3.791   4.512   7.220
   49    HA   THR   6           HA       THR   6   3.220   6.676   6.891
   50    HB   THR   6           HB       THR   6   5.870   7.310   8.228
   51    HG1  THR   6           HG1      THR   6   4.888   5.487   9.219
   52   1HG2  THR   6          HG21      THR   6   3.031   8.413   8.533
   53   2HG2  THR   6          HG22      THR   6   4.398   9.282   7.807
   54   3HG2  THR   6          HG23      THR   6   4.424   8.879   9.527
   55    H    TYR   7           H        TYR   7   4.725   5.554   4.663
   56    HA   TYR   7           HA       TYR   7   5.619   5.991   2.688
   57   1HB   TYR   7          HB2       TYR   7   4.006   7.794   2.425
   58   2HB   TYR   7          HB3       TYR   7   5.063   8.925   3.260
   59    HD1  TYR   7           HD1      TYR   7   5.002   6.598   0.303
   60    HD2  TYR   7           HD2      TYR   7   6.582  10.227   2.011
   61    HE1  TYR   7           HE1      TYR   7   6.161   7.091  -1.825
   62    HE2  TYR   7           HE2      TYR   7   7.692  10.751  -0.145
   63    HH   TYR   7           HH       TYR   7   7.496   8.575  -2.974
   64    H    GLY   8           H        GLY   8   6.760   8.490   4.890
   65   1HA   GLY   8          HA2       GLY   8   9.312   8.999   3.983
   66   2HA   GLY   8          HA3       GLY   8   8.842   9.059   5.690
   67    H    GLU   9           H        GLU   9   8.369   6.258   6.213
   68    HA   GLU   9           HA       GLU   9  11.180   5.502   6.480
   69   1HB   GLU   9          HB2       GLU   9   8.699   4.011   7.379
   70   2HB   GLU   9          HB3       GLU   9  10.375   3.621   7.754
   71   1HG   GLU   9          HG2       GLU   9  10.597   5.896   8.828
   72   2HG   GLU   9          HG3       GLU   9   8.873   6.168   8.532
   73    H    LEU  10           H        LEU  10   8.571   4.816   4.241
   74    HA   LEU  10           HA       LEU  10   9.714   2.400   3.105
   75   1HB   LEU  10          HB2       LEU  10   7.305   3.597   2.776
   76   2HB   LEU  10          HB3       LEU  10   8.131   4.343   1.421
   77    HG   LEU  10           HG       LEU  10   7.862   1.346   1.928
   78   1HD1  LEU  10          HD11      LEU  10   6.297   1.410   0.031
   79   2HD1  LEU  10          HD12      LEU  10   5.737   2.484   1.324
   80   3HD1  LEU  10          HD13      LEU  10   6.518   3.166  -0.118
   81   1HD2  LEU  10          HD21      LEU  10   9.106   2.872  -0.403
   82   2HD2  LEU  10          HD22      LEU  10   9.902   1.693   0.669
   83   3HD2  LEU  10          HD23      LEU  10   8.658   1.154  -0.455
   84    H    GLN  11           H        GLN  11   9.774   5.924   2.408
   85    HA   GLN  11           HA       GLN  11  11.623   5.832   0.286
   86   1HB   GLN  11          HB2       GLN  11  10.229   7.857   1.341
   87   2HB   GLN  11          HB3       GLN  11  11.713   8.116   2.264
   88   1HG   GLN  11          HG2       GLN  11  12.209   9.407   0.428
   89   2HG   GLN  11          HG3       GLN  11  12.849   7.877  -0.171
   90   1HE2  GLN  11          HE22      GLN  11  10.243  10.248  -0.399
   91   2HE2  GLN  11          HE21      GLN  11   9.439   9.546  -1.795
   92    H    ARG  12           H        ARG  12  12.240   6.215   3.812
   93    HA   ARG  12           HA       ARG  12  15.035   6.308   3.728
   94   1HB   ARG  12          HB2       ARG  12  13.601   6.663   5.736
   95   2HB   ARG  12          HB3       ARG  12  13.318   4.914   5.811
   96   1HG   ARG  12          HG2       ARG  12  15.781   4.550   6.069
   97   2HG   ARG  12          HG3       ARG  12  16.021   6.306   6.027
   98   1HD   ARG  12          HD2       ARG  12  15.976   5.543   8.361
   99   2HD   ARG  12          HD3       ARG  12  14.551   6.537   8.012
  100    HE   ARG  12           HE       ARG  12  14.281   3.607   7.688
  101   1HH1  ARG  12          HH11      ARG  12  13.725   6.353   9.880
  102   2HH1  ARG  12          HH12      ARG  12  12.419   5.553  10.719
  103   1HH2  ARG  12          HH21      ARG  12  12.636   2.569   8.868
  104   2HH2  ARG  12          HH22      ARG  12  11.767   3.443  10.112
  105    H    MET  13           H        MET  13  12.953   3.359   4.031
  106    HA   MET  13           HA       MET  13  15.046   1.473   4.002
  107   1HB   MET  13          HB2       MET  13  12.742   0.968   4.629
  108   2HB   MET  13          HB3       MET  13  12.175   1.229   2.975
  109   1HG   MET  13          HG2       MET  13  14.278  -0.853   3.657
  110   2HG   MET  13          HG3       MET  13  12.546  -1.183   3.774
  111   1HE   MET  13          HE1       MET  13  14.683  -2.874   2.072
  112   2HE   MET  13          HE2       MET  13  12.966  -3.317   2.253
  113   3HE   MET  13          HE3       MET  13  13.699  -3.227   0.634
  114    H    GLN  14           H        GLN  14  13.167   2.827   1.272
  115    HA   GLN  14           HA       GLN  14  14.404   1.456  -0.847
  116   1HB   GLN  14          HB2       GLN  14  12.351   2.876  -0.935
  117   2HB   GLN  14          HB3       GLN  14  13.365   4.303  -0.716
  118   1HG   GLN  14          HG2       GLN  14  14.557   3.487  -2.914
  119   2HG   GLN  14          HG3       GLN  14  13.069   2.562  -3.156
  120   1HE2  GLN  14          HE22      GLN  14  11.206   4.395  -1.975
  121   2HE2  GLN  14          HE21      GLN  14  11.273   5.948  -2.780
  122    H    GLU  15           H        GLU  15  15.336   4.580   0.702
  123    HA   GLU  15           HA       GLU  15  17.576   5.131  -0.966
  124   1HB   GLU  15          HB2       GLU  15  16.869   5.954   1.875
  125   2HB   GLU  15          HB3       GLU  15  18.291   6.564   1.019
  126   1HG   GLU  15          HG2       GLU  15  16.979   7.630  -0.666
  127   2HG   GLU  15          HG3       GLU  15  15.500   6.805  -0.178
  128    H    LYS  16           H        LYS  16  17.359   3.413   2.204
  129    HA   LYS  16           HA       LYS  16  20.150   2.808   2.395
  130   1HB   LYS  16          HB2       LYS  16  17.687   1.388   3.472
  131   2HB   LYS  16          HB3       LYS  16  19.349   0.894   3.837
  132   1HG   LYS  16          HG2       LYS  16  19.855   3.084   4.789
  133   2HG   LYS  16          HG3       LYS  16  18.231   3.678   4.399
  134   1HD   LYS  16          HD2       LYS  16  17.206   2.008   5.866
  135   2HD   LYS  16          HD3       LYS  16  18.783   1.294   6.235
  136   1HE   LYS  16          HE2       LYS  16  17.984   4.174   6.892
  137   2HE   LYS  16          HE3       LYS  16  17.918   2.821   8.031
  138   1HZ   LYS  16          HZ1       LYS  16  19.911   4.061   8.288
  139   2HZ   LYS  16          HZ2       LYS  16  20.277   2.550   7.746
  140   3HZ   LYS  16          HZ3       LYS  16  20.338   3.834   6.715
  141    H    GLU  17           H        GLU  17  17.432   1.028   0.880
  142    HA   GLU  17           HA       GLU  17  18.914  -1.223   0.089
  143   1HB   GLU  17          HB2       GLU  17  16.393  -0.943   0.127
  144   2HB   GLU  17          HB3       GLU  17  16.529  -0.020  -1.369
  145   1HG   GLU  17          HG2       GLU  17  15.954  -2.311  -1.915
  146   2HG   GLU  17          HG3       GLU  17  17.634  -2.069  -2.421
  147    H    ARG  18           H        ARG  18  18.298   1.854  -1.706
  148    HA   ARG  18           HA       ARG  18  19.873   1.231  -4.006
  149   1HB   ARG  18          HB2       ARG  18  19.017   3.805  -2.650
  150   2HB   ARG  18          HB3       ARG  18  20.361   3.849  -3.778
  151   1HG   ARG  18          HG2       ARG  18  18.649   4.401  -5.132
  152   2HG   ARG  18          HG3       ARG  18  18.870   2.693  -5.500
  153   1HD   ARG  18          HD2       ARG  18  16.790   3.891  -3.604
  154   2HD   ARG  18          HD3       ARG  18  16.450   3.472  -5.276
  155    HE   ARG  18           HE       ARG  18  16.604   1.722  -2.982
  156   1HH1  ARG  18          HH21      ARG  18  17.103   1.810  -6.478
  157   2HH1  ARG  18          HH22      ARG  18  16.751   0.123  -6.736
  158   1HH2  ARG  18          HH11      ARG  18  16.100  -0.506  -3.310
  159   2HH2  ARG  18          HH12      ARG  18  16.193  -1.219  -4.897
  160    H    ASN  19           H        ASN  19  20.776   2.877  -0.954
  161    HA   ASN  19           HA       ASN  19  23.440   3.414  -1.551
  162   1HB   ASN  19          HB2       ASN  19  22.357   4.395   0.379
  163   2HB   ASN  19          HB3       ASN  19  22.123   2.806   1.116
  164   1HD2  ASN  19          HD22      ASN  19  24.841   4.852  -0.150
  165   2HD2  ASN  19          HD21      ASN  19  25.943   4.368   1.124
  166    H    LYS  20           H        LYS  20  22.122   0.421  -0.057
  167    HA   LYS  20           HA       LYS  20  24.796  -0.800   0.046
  168   1HB   LYS  20          HB2       LYS  20  22.058  -2.061   0.431
  169   2HB   LYS  20          HB3       LYS  20  23.621  -2.779   0.841
  170   1HG   LYS  20          HG2       LYS  20  22.355  -0.319   2.119
  171   2HG   LYS  20          HG3       LYS  20  22.521  -1.920   2.837
  172   1HD   LYS  20          HD2       LYS  20  25.019  -1.681   2.725
  173   2HD   LYS  20          HD3       LYS  20  24.818  -0.027   2.112
  174   1HE   LYS  20          HE2       LYS  20  23.797  -1.015   4.807
  175   2HE   LYS  20          HE3       LYS  20  25.260  -0.056   4.529
  176   1HZ   LYS  20          HZ1       LYS  20  23.877   1.661   3.578
  177   2HZ   LYS  20          HZ2       LYS  20  22.519   0.796   3.931
  178   3HZ   LYS  20          HZ3       LYS  20  23.479   1.348   5.151
  179    H    GLY  21           H        GLY  21  21.891  -1.148  -2.018
  180   1HA   GLY  21          HA2       GLY  21  22.695  -3.352  -3.533
  181   2HA   GLY  21          HA3       GLY  21  21.577  -2.082  -4.058
  182    H    GLN  22           H        GLN  22  23.216   0.142  -4.188
  183    HA   GLN  22           HA       GLN  22  24.573   1.252  -5.631
  184   1HB   GLN  22          HB2       GLN  22  26.366  -1.168  -5.168
  185   2HB   GLN  22          HB3       GLN  22  26.900   0.382  -5.835
  186   1HG   GLN  22          HG2       GLN  22  26.456   1.552  -3.801
  187   2HG   GLN  22          HG3       GLN  22  25.543   0.202  -3.127
  188   1HE2  GLN  22          HE22      GLN  22  26.609  -1.703  -2.390
  189   2HE2  GLN  22          HE21      GLN  22  28.335  -1.663  -2.030
  Start of MODEL   21
    1   1H    PHE   1          H1        PHE   1  -0.875  10.033   1.683
    2   2H    PHE   1          H2        PHE   1  -2.272   9.554   0.966
    3   3H    PHE   1          H3        PHE   1  -0.896   9.705   0.061
    4    HA   PHE   1           HA       PHE   1  -1.413   7.416   0.519
    5   1HB   PHE   1          HB2       PHE   1   0.805   6.781   1.500
    6   2HB   PHE   1          HB3       PHE   1   0.883   7.884   0.136
    7    HD1  PHE   1           HD1      PHE   1   1.018   7.794   3.902
    8    HD2  PHE   1           HD2      PHE   1   2.067   9.935   0.304
    9    HE1  PHE   1           HE1      PHE   1   2.272   9.446   5.247
   10    HE2  PHE   1           HE2      PHE   1   3.376  11.546   1.654
   11    HZ   PHE   1           HZ       PHE   1   3.468  11.316   4.128
   12    H    VAL   2           H        VAL   2  -1.544   5.696   2.079
   13    HA   VAL   2           HA       VAL   2  -2.629   6.496   4.702
   14    HB   VAL   2           HB       VAL   2  -2.298   3.779   3.370
   15   1HG1  VAL   2          HG11      VAL   2  -3.782   4.540   5.928
   16   2HG1  VAL   2          HG12      VAL   2  -3.772   2.942   5.160
   17   3HG1  VAL   2          HG13      VAL   2  -2.282   3.587   5.855
   18   1HG2  VAL   2          HG21      VAL   2  -4.769   3.877   3.150
   19   2HG2  VAL   2          HG22      VAL   2  -4.758   5.535   3.785
   20   3HG2  VAL   2          HG23      VAL   2  -3.988   5.165   2.227
   21    HA   PRO   3           HA       PRO   3   1.641   5.910   6.113
   22   1HB   PRO   3          HB2       PRO   3   1.389   6.433   8.776
   23   2HB   PRO   3          HB3       PRO   3   1.113   7.684   7.535
   24   1HG   PRO   3          HG2       PRO   3  -0.976   5.952   8.890
   25   2HG   PRO   3          HG3       PRO   3  -0.953   7.736   8.775
   26   1HD   PRO   3          HD2       PRO   3  -2.353   6.204   7.013
   27   2HD   PRO   3          HD3       PRO   3  -1.497   7.677   6.465
   28    H    ILE   4           H        ILE   4   0.708   3.556   5.363
   29    HA   ILE   4           HA       ILE   4  -0.239   1.717   7.146
   30    HB   ILE   4           HB       ILE   4   0.629  -0.009   5.742
   31   1HG1  ILE   4          HG12      ILE   4   2.777   0.604   4.944
   32   2HG1  ILE   4          HG13      ILE   4   1.706   0.346   3.593
   33   1HG2  ILE   4          HG21      ILE   4  -1.472   1.125   5.200
   34   2HG2  ILE   4          HG22      ILE   4  -0.611   2.278   4.164
   35   3HG2  ILE   4          HG23      ILE   4  -0.669   0.562   3.726
   36   1HD1  ILE   4          HD11      ILE   4   2.676   3.057   4.589
   37   2HD1  ILE   4          HD12      ILE   4   3.122   2.215   3.112
   38   3HD1  ILE   4          HD13      ILE   4   1.474   2.816   3.292
   39    H    PHE   5           H        PHE   5   3.172   2.131   6.397
   40    HA   PHE   5           HA       PHE   5   3.903   0.985   9.079
   41   1HB   PHE   5          HB2       PHE   5   5.707   0.972   6.650
   42   2HB   PHE   5          HB3       PHE   5   5.914   0.101   8.160
   43    HD1  PHE   5           HD1      PHE   5   3.287  -1.282   8.493
   44    HD2  PHE   5           HD2      PHE   5   5.667  -0.629   4.954
   45    HE1  PHE   5           HE1      PHE   5   2.169  -3.190   7.383
   46    HE2  PHE   5           HE2      PHE   5   4.547  -2.545   3.851
   47    HZ   PHE   5           HZ       PHE   5   2.786  -3.818   5.053
   48    H    THR   6           H        THR   6   3.024   3.621   8.412
   49    HA   THR   6           HA       THR   6   3.634   5.821   8.435
   50    HB   THR   6           HB       THR   6   6.272   4.976   9.703
   51    HG1  THR   6           HG1      THR   6   4.439   4.122  10.779
   52   1HG2  THR   6          HG21      THR   6   6.103   7.176  10.794
   53   2HG2  THR   6          HG22      THR   6   6.162   7.370   9.034
   54   3HG2  THR   6          HG23      THR   6   4.613   7.531   9.898
   55    H    TYR   7           H        TYR   7   3.555   5.149   6.193
   56    HA   TYR   7           HA       TYR   7   4.691   4.487   4.142
   57   1HB   TYR   7          HB2       TYR   7   2.932   6.085   3.998
   58   2HB   TYR   7          HB3       TYR   7   3.972   7.385   4.576
   59    HD1  TYR   7           HD1      TYR   7   3.369   5.073   1.695
   60    HD2  TYR   7           HD2      TYR   7   5.284   8.690   3.060
   61    HE1  TYR   7           HE1      TYR   7   4.108   5.570  -0.624
   62    HE2  TYR   7           HE2      TYR   7   6.008   9.179   0.754
   63    HH   TYR   7           HH       TYR   7   6.396   8.185  -1.336
   64    H    GLY   8           H        GLY   8   6.182   7.408   5.441
   65   1HA   GLY   8          HA2       GLY   8   8.323   7.857   3.734
   66   2HA   GLY   8          HA3       GLY   8   8.365   8.147   5.481
   67    H    GLU   9           H        GLU   9   8.144   5.436   6.384
   68    HA   GLU   9           HA       GLU   9  10.821   4.595   6.436
   69   1HB   GLU   9          HB2       GLU   9   8.261   3.002   6.873
   70   2HB   GLU   9          HB3       GLU   9   9.893   2.401   7.201
   71   1HG   GLU   9          HG2       GLU   9  10.282   4.286   8.781
   72   2HG   GLU   9          HG3       GLU   9   8.629   4.856   8.501
   73    H    LEU  10           H        LEU  10   8.282   3.714   4.050
   74    HA   LEU  10           HA       LEU  10   9.843   1.596   2.825
   75   1HB   LEU  10          HB2       LEU  10   7.590   3.341   1.748
   76   2HB   LEU  10          HB3       LEU  10   8.277   1.962   0.894
   77    HG   LEU  10           HG       LEU  10   6.926   1.753   3.626
   78   1HD1  LEU  10          HD11      LEU  10   5.863   1.128   0.837
   79   2HD1  LEU  10          HD12      LEU  10   5.029   0.797   2.370
   80   3HD1  LEU  10          HD13      LEU  10   5.342   2.472   1.876
   81   1HD2  LEU  10          HD21      LEU  10   7.915  -0.318   1.603
   82   2HD2  LEU  10          HD22      LEU  10   8.467  -0.110   3.282
   83   3HD2  LEU  10          HD23      LEU  10   6.837  -0.702   2.951
   84    H    GLN  11           H        GLN  11   9.654   5.125   2.422
   85    HA   GLN  11           HA       GLN  11  11.239   5.162  -0.030
   86   1HB   GLN  11          HB2       GLN  11  10.776   7.407   1.966
   87   2HB   GLN  11          HB3       GLN  11  11.387   7.532   0.308
   88   1HG   GLN  11          HG2       GLN  11   9.197   6.465  -0.472
   89   2HG   GLN  11          HG3       GLN  11   8.583   6.676   1.174
   90   1HE2  GLN  11          HE22      GLN  11   9.964   9.298   1.588
   91   2HE2  GLN  11          HE21      GLN  11   9.059  10.430   0.599
   92    H    ARG  12           H        ARG  12  11.825   5.643   3.473
   93    HA   ARG  12           HA       ARG  12  14.597   6.012   3.319
   94   1HB   ARG  12          HB2       ARG  12  12.867   6.016   5.407
   95   2HB   ARG  12          HB3       ARG  12  13.483   4.378   5.593
   96   1HG   ARG  12          HG2       ARG  12  15.069   5.490   6.843
   97   2HG   ARG  12          HG3       ARG  12  15.852   5.596   5.264
   98   1HD   ARG  12          HD2       ARG  12  14.383   7.727   6.841
   99   2HD   ARG  12          HD3       ARG  12  15.994   7.777   6.161
  100    HE   ARG  12           HE       ARG  12  15.151   8.143   3.974
  101   1HH1  ARG  12          HH21      ARG  12  12.575   8.308   6.433
  102   2HH1  ARG  12          HH22      ARG  12  11.483   9.165   5.388
  103   1HH2  ARG  12          HH11      ARG  12  13.644   9.112   2.595
  104   2HH2  ARG  12          HH12      ARG  12  12.128   9.702   3.223
  105    H    MET  13           H        MET  13  12.792   2.928   3.640
  106    HA   MET  13           HA       MET  13  14.971   1.172   3.674
  107   1HB   MET  13          HB2       MET  13  12.604   0.538   4.079
  108   2HB   MET  13          HB3       MET  13  12.245   0.787   2.363
  109   1HG   MET  13          HG2       MET  13  13.850  -1.029   1.777
  110   2HG   MET  13          HG3       MET  13  14.239  -1.216   3.491
  111   1HE   MET  13          HE1       MET  13  10.208  -2.427   1.577
  112   2HE   MET  13          HE2       MET  13  10.626  -0.720   1.819
  113   3HE   MET  13          HE3       MET  13  11.566  -1.714   0.678
  114    H    GLN  14           H        GLN  14  13.124   2.382   0.809
  115    HA   GLN  14           HA       GLN  14  14.757   1.135  -1.144
  116   1HB   GLN  14          HB2       GLN  14  13.073   3.655  -1.200
  117   2HB   GLN  14          HB3       GLN  14  13.916   3.047  -2.633
  118   1HG   GLN  14          HG2       GLN  14  12.716   0.994  -2.649
  119   2HG   GLN  14          HG3       GLN  14  12.074   1.238  -1.021
  120   1HE2  GLN  14          HE22      GLN  14  10.582   3.029  -0.670
  121   2HE2  GLN  14          HE21      GLN  14   9.497   3.504  -1.986
  122    H    GLU  15           H        GLU  15  15.170   4.361   0.416
  123    HA   GLU  15           HA       GLU  15  17.476   5.150  -1.051
  124   1HB   GLU  15          HB2       GLU  15  16.640   5.739   1.810
  125   2HB   GLU  15          HB3       GLU  15  17.976   6.544   0.992
  126   1HG   GLU  15          HG2       GLU  15  16.580   7.671  -0.522
  127   2HG   GLU  15          HG3       GLU  15  15.236   6.552  -0.305
  128    H    LYS  16           H        LYS  16  17.234   3.307   2.050
  129    HA   LYS  16           HA       LYS  16  20.056   2.983   2.371
  130   1HB   LYS  16          HB2       LYS  16  17.745   1.256   3.340
  131   2HB   LYS  16          HB3       LYS  16  19.420   1.066   3.866
  132   1HG   LYS  16          HG2       LYS  16  17.778   3.612   4.259
  133   2HG   LYS  16          HG3       LYS  16  17.973   2.329   5.456
  134   1HD   LYS  16          HD2       LYS  16  20.451   2.713   5.424
  135   2HD   LYS  16          HD3       LYS  16  20.201   4.069   4.303
  136   1HE   LYS  16          HE2       LYS  16  18.738   5.187   5.970
  137   2HE   LYS  16          HE3       LYS  16  19.023   3.855   7.107
  138   1HZ   LYS  16          HZ1       LYS  16  21.347   4.403   7.065
  139   2HZ   LYS  16          HZ2       LYS  16  21.078   5.643   6.012
  140   3HZ   LYS  16          HZ3       LYS  16  20.450   5.703   7.532
  141    H    GLU  17           H        GLU  17  17.633   0.804   0.838
  142    HA   GLU  17           HA       GLU  17  19.485  -1.219   0.108
  143   1HB   GLU  17          HB2       GLU  17  16.882  -0.325  -1.206
  144   2HB   GLU  17          HB3       GLU  17  17.777  -1.777  -1.671
  145   1HG   GLU  17          HG2       GLU  17  16.667  -1.271   1.132
  146   2HG   GLU  17          HG3       GLU  17  15.905  -2.270  -0.109
  147    H    ARG  18           H        ARG  18  18.439   1.693  -1.719
  148    HA   ARG  18           HA       ARG  18  20.005   1.228  -4.016
  149   1HB   ARG  18          HB2       ARG  18  18.205   2.862  -3.883
  150   2HB   ARG  18          HB3       ARG  18  19.092   3.817  -2.699
  151   1HG   ARG  18          HG2       ARG  18  19.057   4.830  -4.918
  152   2HG   ARG  18          HG3       ARG  18  20.701   4.532  -4.357
  153   1HD   ARG  18          HD2       ARG  18  19.225   2.630  -6.236
  154   2HD   ARG  18          HD3       ARG  18  20.196   4.002  -6.818
  155    HE   ARG  18           HE       ARG  18  21.897   2.784  -5.085
  156   1HH1  ARG  18          HH21      ARG  18  20.278   1.520  -7.969
  157   2HH1  ARG  18          HH22      ARG  18  21.234   0.057  -7.973
  158   1HH2  ARG  18          HH11      ARG  18  22.906   0.975  -4.966
  159   2HH2  ARG  18          HH12      ARG  18  22.882  -0.275  -6.189
  160    H    ASN  19           H        ASN  19  20.797   3.067  -1.020
  161    HA   ASN  19           HA       ASN  19  23.437   3.786  -1.747
  162   1HB   ASN  19          HB2       ASN  19  22.269   3.208   1.008
  163   2HB   ASN  19          HB3       ASN  19  23.845   3.954   0.717
  164   1HD2  ASN  19          HD22      ASN  19  21.962   5.294   2.256
  165   2HD2  ASN  19          HD21      ASN  19  21.404   6.690   1.346
  166    H    LYS  20           H        LYS  20  22.283   0.843  -0.047
  167    HA   LYS  20           HA       LYS  20  24.963  -0.168   0.361
  168   1HB   LYS  20          HB2       LYS  20  22.212  -1.437   0.607
  169   2HB   LYS  20          HB3       LYS  20  23.707  -2.242   1.090
  170   1HG   LYS  20          HG2       LYS  20  22.782   0.422   2.264
  171   2HG   LYS  20          HG3       LYS  20  22.405  -1.162   2.950
  172   1HD   LYS  20          HD2       LYS  20  24.859  -1.641   3.146
  173   2HD   LYS  20          HD3       LYS  20  25.204   0.004   2.572
  174   1HE   LYS  20          HE2       LYS  20  23.929   0.945   4.484
  175   2HE   LYS  20          HE3       LYS  20  23.601  -0.698   5.072
  176   1HZ   LYS  20          HZ1       LYS  20  25.953  -1.016   5.310
  177   2HZ   LYS  20          HZ2       LYS  20  26.259   0.510   4.766
  178   3HZ   LYS  20          HZ3       LYS  20  25.452   0.286   6.185
  179    H    GLY  21           H        GLY  21  22.416  -0.917  -2.039
  180   1HA   GLY  21          HA2       GLY  21  23.696  -3.319  -2.971
  181   2HA   GLY  21          HA3       GLY  21  22.305  -2.490  -3.677
  182    H    GLN  22           H        GLN  22  25.796  -1.739  -3.246
  183    HA   GLN  22           HA       GLN  22  26.128  -1.408  -6.171
  184   1HB   GLN  22          HB2       GLN  22  25.624   0.835  -5.308
  185   2HB   GLN  22          HB3       GLN  22  26.831   0.649  -4.032
  186   1HG   GLN  22          HG2       GLN  22  27.647   2.090  -5.812
  187   2HG   GLN  22          HG3       GLN  22  28.649   0.647  -5.707
  188   1HE2  GLN  22          HE22      GLN  22  28.283  -1.078  -7.381
  189   2HE2  GLN  22          HE21      GLN  22  27.672  -0.566  -8.953
  Start of MODEL   22
    1   1H    PHE   1          H1        PHE   1   1.317   7.673  -1.864
    2   2H    PHE   1          H2        PHE   1  -0.174   7.893  -1.189
    3   3H    PHE   1          H3        PHE   1   0.448   6.377  -1.327
    4    HA   PHE   1           HA       PHE   1   2.182   6.877   0.195
    5   1HB   PHE   1          HB2       PHE   1   2.259   9.285  -0.429
    6   2HB   PHE   1          HB3       PHE   1   0.791   9.556   0.501
    7    HD1  PHE   1           HD1      PHE   1   0.842   9.166   3.041
    8    HD2  PHE   1           HD2      PHE   1   4.402   9.270   0.601
    9    HE1  PHE   1           HE1      PHE   1   2.198   9.691   5.036
   10    HE2  PHE   1           HE2      PHE   1   5.744   9.849   2.597
   11    HZ   PHE   1           HZ       PHE   1   4.644  10.109   4.807
   12    H    VAL   2           H        VAL   2   1.433   5.339   1.546
   13    HA   VAL   2           HA       VAL   2  -1.341   5.501   2.535
   14    HB   VAL   2           HB       VAL   2   0.592   3.168   2.527
   15   1HG1  VAL   2          HG11      VAL   2  -2.438   3.284   2.914
   16   2HG1  VAL   2          HG12      VAL   2  -1.437   1.821   2.892
   17   3HG1  VAL   2          HG13      VAL   2  -1.263   2.989   4.209
   18   1HG2  VAL   2          HG21      VAL   2   0.104   3.821   0.213
   19   2HG2  VAL   2          HG22      VAL   2  -0.795   2.358   0.618
   20   3HG2  VAL   2          HG23      VAL   2  -1.632   3.923   0.581
   21    HA   PRO   3           HA       PRO   3   0.485   6.240   6.655
   22   1HB   PRO   3          HB2       PRO   3  -1.758   6.609   8.115
   23   2HB   PRO   3          HB3       PRO   3  -1.281   7.777   6.855
   24   1HG   PRO   3          HG2       PRO   3  -3.263   5.498   6.577
   25   2HG   PRO   3          HG3       PRO   3  -3.518   7.218   6.161
   26   1HD   PRO   3          HD2       PRO   3  -2.762   5.345   4.313
   27   2HD   PRO   3          HD3       PRO   3  -2.177   7.034   4.221
   28    H    ILE   4           H        ILE   4   0.961   3.812   5.897
   29    HA   ILE   4           HA       ILE   4  -0.348   1.818   7.626
   30    HB   ILE   4           HB       ILE   4   1.912   0.558   6.928
   31   1HG1  ILE   4          HG12      ILE   4   1.541   2.217   4.424
   32   2HG1  ILE   4          HG13      ILE   4   2.672   2.789   5.646
   33   1HG2  ILE   4          HG21      ILE   4  -0.329  -0.202   6.426
   34   2HG2  ILE   4          HG22      ILE   4  -0.477   0.970   5.106
   35   3HG2  ILE   4          HG23      ILE   4   0.688  -0.364   4.991
   36   1HD1  ILE   4          HD11      ILE   4   2.832   0.091   4.273
   37   2HD1  ILE   4          HD12      ILE   4   3.858   1.516   4.011
   38   3HD1  ILE   4          HD13      ILE   4   3.906   0.671   5.570
   39    H    PHE   5           H        PHE   5   3.073   2.602   7.457
   40    HA   PHE   5           HA       PHE   5   3.148   3.240  10.381
   41   1HB   PHE   5          HB2       PHE   5   5.568   2.460   8.779
   42   2HB   PHE   5          HB3       PHE   5   5.291   2.290  10.503
   43    HD1  PHE   5           HD1      PHE   5   2.901   0.656  10.769
   44    HD2  PHE   5           HD2      PHE   5   5.994   0.420   7.765
   45    HE1  PHE   5           HE1      PHE   5   2.200  -1.657  10.216
   46    HE2  PHE   5           HE2      PHE   5   5.279  -1.883   7.213
   47    HZ   PHE   5           HZ       PHE   5   3.371  -2.919   8.416
   48    H    THR   6           H        THR   6   2.361   4.811   7.994
   49    HA   THR   6           HA       THR   6   2.714   6.791   6.949
   50    HB   THR   6           HB       THR   6   5.268   7.218   8.567
   51    HG1  THR   6           HG1      THR   6   3.519   6.932   9.950
   52   1HG2  THR   6          HG21      THR   6   3.383   9.123   7.135
   53   2HG2  THR   6          HG22      THR   6   4.779   9.577   8.131
   54   3HG2  THR   6          HG23      THR   6   5.034   8.679   6.625
   55    H    TYR   7           H        TYR   7   3.019   5.872   4.900
   56    HA   TYR   7           HA       TYR   7   4.987   4.223   4.071
   57   1HB   TYR   7          HB2       TYR   7   3.032   4.740   2.763
   58   2HB   TYR   7          HB3       TYR   7   3.601   6.388   2.459
   59    HD1  TYR   7           HD1      TYR   7   4.717   2.808   2.079
   60    HD2  TYR   7           HD2      TYR   7   4.639   6.753   0.350
   61    HE1  TYR   7           HE1      TYR   7   6.251   2.052   0.287
   62    HE2  TYR   7           HE2      TYR   7   6.000   5.943  -1.547
   63    HH   TYR   7           HH       TYR   7   7.747   2.835  -1.269
   64    H    GLY   8           H        GLY   8   5.453   7.680   4.450
   65   1HA   GLY   8          HA2       GLY   8   7.831   8.263   3.164
   66   2HA   GLY   8          HA3       GLY   8   7.410   8.823   4.788
   67    H    GLU   9           H        GLU   9   7.401   6.289   6.128
   68    HA   GLU   9           HA       GLU   9  10.112   5.905   6.858
   69   1HB   GLU   9          HB2       GLU   9   8.087   5.300   8.216
   70   2HB   GLU   9          HB3       GLU   9   7.738   3.995   7.078
   71   1HG   GLU   9          HG2       GLU   9   9.983   2.975   7.648
   72   2HG   GLU   9          HG3       GLU   9  10.206   4.255   8.851
   73    H    LEU  10           H        LEU  10   7.970   4.138   4.568
   74    HA   LEU  10           HA       LEU  10  10.018   2.150   3.970
   75   1HB   LEU  10          HB2       LEU  10   7.425   2.734   2.524
   76   2HB   LEU  10          HB3       LEU  10   8.487   1.345   2.280
   77    HG   LEU  10           HG       LEU  10   6.744   1.977   4.688
   78   1HD1  LEU  10          HD11      LEU  10   7.019  -0.478   2.892
   79   2HD1  LEU  10          HD12      LEU  10   5.823  -0.251   4.180
   80   3HD1  LEU  10          HD13      LEU  10   5.768   0.765   2.725
   81   1HD2  LEU  10          HD21      LEU  10   8.967  -0.107   4.518
   82   2HD2  LEU  10          HD22      LEU  10   8.834   1.222   5.697
   83   3HD2  LEU  10          HD23      LEU  10   7.676  -0.107   5.737
   84    H    GLN  11           H        GLN  11   8.846   5.192   2.467
   85    HA   GLN  11           HA       GLN  11  10.551   5.080   0.162
   86   1HB   GLN  11          HB2       GLN  11   9.523   7.375   1.850
   87   2HB   GLN  11          HB3       GLN  11  10.648   7.664   0.530
   88   1HG   GLN  11          HG2       GLN  11   8.090   6.086   0.149
   89   2HG   GLN  11          HG3       GLN  11   8.136   7.849   0.012
   90   1HE2  GLN  11          HE22      GLN  11   8.065   5.231  -1.984
   91   2HE2  GLN  11          HE21      GLN  11   9.025   5.909  -3.294
   92    H    ARG  12           H        ARG  12  11.251   6.338   3.481
   93    HA   ARG  12           HA       ARG  12  13.937   6.947   2.944
   94   1HB   ARG  12          HB2       ARG  12  12.631   7.629   4.950
   95   2HB   ARG  12          HB3       ARG  12  12.844   6.015   5.644
   96   1HG   ARG  12          HG2       ARG  12  15.221   7.630   4.667
   97   2HG   ARG  12          HG3       ARG  12  14.494   8.008   6.226
   98   1HD   ARG  12          HD2       ARG  12  15.006   5.915   7.176
   99   2HD   ARG  12          HD3       ARG  12  15.424   5.154   5.654
  100    HE   ARG  12           HE       ARG  12  17.126   6.750   7.317
  101   1HH1  ARG  12          HH21      ARG  12  16.536   5.845   3.917
  102   2HH1  ARG  12          HH22      ARG  12  18.142   6.277   3.405
  103   1HH2  ARG  12          HH11      ARG  12  19.237   7.239   6.631
  104   2HH2  ARG  12          HH12      ARG  12  19.706   7.042   4.966
  105    H    MET  13           H        MET  13  12.535   3.882   4.198
  106    HA   MET  13           HA       MET  13  14.931   2.441   4.418
  107   1HB   MET  13          HB2       MET  13  12.735   1.666   5.261
  108   2HB   MET  13          HB3       MET  13  12.201   1.377   3.595
  109   1HG   MET  13          HG2       MET  13  12.906  -0.702   4.631
  110   2HG   MET  13          HG3       MET  13  13.982  -0.301   3.293
  111   1HE   MET  13          HE1       MET  13  15.772  -2.039   3.994
  112   2HE   MET  13          HE2       MET  13  16.381  -2.223   5.655
  113   3HE   MET  13          HE3       MET  13  14.675  -2.572   5.294
  114    H    GLN  14           H        GLN  14  12.761   2.772   1.590
  115    HA   GLN  14           HA       GLN  14  14.208   1.193  -0.251
  116   1HB   GLN  14          HB2       GLN  14  12.450   3.634  -0.643
  117   2HB   GLN  14          HB3       GLN  14  13.098   2.681  -1.978
  118   1HG   GLN  14          HG2       GLN  14  11.801   0.798  -1.476
  119   2HG   GLN  14          HG3       GLN  14  11.538   1.267   0.200
  120   1HE2  GLN  14          HE22      GLN  14  11.114   3.392  -2.674
  121   2HE2  GLN  14          HE21      GLN  14   9.393   3.617  -2.428
  122    H    GLU  15           H        GLU  15  14.579   4.705   0.588
  123    HA   GLU  15           HA       GLU  15  16.626   5.211  -1.318
  124   1HB   GLU  15          HB2       GLU  15  16.053   6.504   1.373
  125   2HB   GLU  15          HB3       GLU  15  17.274   7.089   0.239
  126   1HG   GLU  15          HG2       GLU  15  15.629   7.521  -1.471
  127   2HG   GLU  15          HG3       GLU  15  14.348   6.739  -0.545
  128    H    LYS  16           H        LYS  16  16.986   4.183   2.155
  129    HA   LYS  16           HA       LYS  16  19.868   4.066   1.873
  130   1HB   LYS  16          HB2       LYS  16  19.907   2.671   3.896
  131   2HB   LYS  16          HB3       LYS  16  19.188   4.263   4.082
  132   1HG   LYS  16          HG2       LYS  16  16.946   3.300   4.014
  133   2HG   LYS  16          HG3       LYS  16  17.589   1.672   3.796
  134   1HD   LYS  16          HD2       LYS  16  18.069   3.517   6.195
  135   2HD   LYS  16          HD3       LYS  16  16.883   2.213   6.141
  136   1HE   LYS  16          HE2       LYS  16  19.917   1.887   6.017
  137   2HE   LYS  16          HE3       LYS  16  18.842   1.461   7.352
  138   1HZ   LYS  16          HZ1       LYS  16  18.847   0.226   4.691
  139   2HZ   LYS  16          HZ2       LYS  16  19.384  -0.452   6.092
  140   3HZ   LYS  16          HZ3       LYS  16  17.778  -0.128   5.894
  141    H    GLU  17           H        GLU  17  17.307   1.644   1.323
  142    HA   GLU  17           HA       GLU  17  19.031  -0.566   0.917
  143   1HB   GLU  17          HB2       GLU  17  16.502  -0.593   1.171
  144   2HB   GLU  17          HB3       GLU  17  16.385  -0.020  -0.499
  145   1HG   GLU  17          HG2       GLU  17  16.085  -2.428  -0.438
  146   2HG   GLU  17          HG3       GLU  17  17.614  -2.076  -1.251
  147    H    ARG  18           H        ARG  18  17.760   1.871  -1.375
  148    HA   ARG  18           HA       ARG  18  18.996   0.954  -3.736
  149   1HB   ARG  18          HB2       ARG  18  17.242   2.805  -3.350
  150   2HB   ARG  18          HB3       ARG  18  18.586   3.888  -3.015
  151   1HG   ARG  18          HG2       ARG  18  17.970   2.356  -5.585
  152   2HG   ARG  18          HG3       ARG  18  17.768   4.087  -5.306
  153   1HD   ARG  18          HD2       ARG  18  20.372   2.549  -5.569
  154   2HD   ARG  18          HD3       ARG  18  19.715   3.783  -6.650
  155    HE   ARG  18           HE       ARG  18  19.971   5.011  -4.136
  156   1HH1  ARG  18          HH21      ARG  18  22.066   3.573  -6.610
  157   2HH1  ARG  18          HH22      ARG  18  23.472   4.500  -6.111
  158   1HH2  ARG  18          HH11      ARG  18  21.878   6.198  -3.505
  159   2HH2  ARG  18          HH12      ARG  18  23.379   5.905  -4.365
  160    H    ASN  19           H        ASN  19  20.167   3.332  -1.280
  161    HA   ASN  19           HA       ASN  19  22.716   3.704  -2.444
  162   1HB   ASN  19          HB2       ASN  19  21.793   5.178  -0.722
  163   2HB   ASN  19          HB3       ASN  19  21.960   3.898   0.492
  164   1HD2  ASN  19          HD22      ASN  19  24.059   3.436   1.352
  165   2HD2  ASN  19          HD21      ASN  19  25.455   4.411   0.931
  166    H    LYS  20           H        LYS  20  21.652   1.207  -0.097
  167    HA   LYS  20           HA       LYS  20  24.229   0.019   0.263
  168   1HB   LYS  20          HB2       LYS  20  22.421  -0.425   1.772
  169   2HB   LYS  20          HB3       LYS  20  21.419  -1.145   0.513
  170   1HG   LYS  20          HG2       LYS  20  24.153  -2.309   0.999
  171   2HG   LYS  20          HG3       LYS  20  22.901  -2.616   2.202
  172   1HD   LYS  20          HD2       LYS  20  21.490  -3.766   0.749
  173   2HD   LYS  20          HD3       LYS  20  22.233  -3.139  -0.715
  174   1HE   LYS  20          HE2       LYS  20  23.632  -5.040   1.217
  175   2HE   LYS  20          HE3       LYS  20  22.784  -5.529  -0.260
  176   1HZ   LYS  20          HZ1       LYS  20  24.283  -4.151  -1.516
  177   2HZ   LYS  20          HZ2       LYS  20  25.108  -3.736  -0.159
  178   3HZ   LYS  20          HZ3       LYS  20  25.102  -5.303  -0.667
  179    H    GLY  21           H        GLY  21  21.669  -0.440  -2.189
  180   1HA   GLY  21          HA2       GLY  21  23.034  -2.543  -3.652
  181   2HA   GLY  21          HA3       GLY  21  21.648  -1.574  -4.173
  182    H    GLN  22           H        GLN  22  25.093  -0.930  -3.365
  183    HA   GLN  22           HA       GLN  22  25.582   0.168  -6.089
  184   1HB   GLN  22          HB2       GLN  22  26.317   1.502  -3.448
  185   2HB   GLN  22          HB3       GLN  22  26.987   1.959  -5.023
  186   1HG   GLN  22          HG2       GLN  22  24.744   2.492  -5.877
  187   2HG   GLN  22          HG3       GLN  22  24.018   2.055  -4.326
  188   1HE2  GLN  22          HE22      GLN  22  25.342   3.180  -2.403
  189   2HE2  GLN  22          HE21      GLN  22  25.366   4.929  -2.541
  Start of MODEL   23
    1   1H    PHE   1          H1        PHE   1  -0.074   7.812  -2.563
    2   2H    PHE   1          H2        PHE   1   1.535   7.866  -2.948
    3   3H    PHE   1          H3        PHE   1   0.920   8.835  -1.754
    4    HA   PHE   1           HA       PHE   1   1.023   5.921  -1.682
    5   1HB   PHE   1          HB2       PHE   1   2.741   6.145   0.017
    6   2HB   PHE   1          HB3       PHE   1   3.246   6.949  -1.457
    7    HD1  PHE   1           HD1      PHE   1   2.194   7.437   2.064
    8    HD2  PHE   1           HD2      PHE   1   3.535   9.386  -1.542
    9    HE1  PHE   1           HE1      PHE   1   2.599   9.515   3.340
   10    HE2  PHE   1           HE2      PHE   1   3.981  11.453  -0.248
   11    HZ   PHE   1           HZ       PHE   1   3.509  11.524   2.191
   12    H    VAL   2           H        VAL   2   0.885   5.313   0.821
   13    HA   VAL   2           HA       VAL   2  -1.091   6.950   2.255
   14    HB   VAL   2           HB       VAL   2  -2.180   4.753   2.984
   15   1HG1  VAL   2          HG11      VAL   2  -3.280   6.372   1.477
   16   2HG1  VAL   2          HG12      VAL   2  -2.543   5.574   0.072
   17   3HG1  VAL   2          HG13      VAL   2  -3.713   4.701   1.079
   18   1HG2  VAL   2          HG21      VAL   2  -0.448   3.197   2.048
   19   2HG2  VAL   2          HG22      VAL   2  -2.091   2.838   1.502
   20   3HG2  VAL   2          HG23      VAL   2  -0.958   3.652   0.410
   21    HA   PRO   3           HA       PRO   3   2.008   6.140   5.286
   22   1HB   PRO   3          HB2       PRO   3   0.814   6.864   7.614
   23   2HB   PRO   3          HB3       PRO   3   1.056   8.012   6.276
   24   1HG   PRO   3          HG2       PRO   3  -1.446   6.394   6.864
   25   2HG   PRO   3          HG3       PRO   3  -1.323   8.169   6.667
   26   1HD   PRO   3          HD2       PRO   3  -2.015   6.561   4.584
   27   2HD   PRO   3          HD3       PRO   3  -0.941   7.971   4.337
   28    H    ILE   4           H        ILE   4   1.139   3.713   4.391
   29    HA   ILE   4           HA       ILE   4  -0.337   2.022   5.967
   30    HB   ILE   4           HB       ILE   4   1.620   0.273   5.061
   31   1HG1  ILE   4          HG12      ILE   4   2.223   0.854   2.814
   32   2HG1  ILE   4          HG13      ILE   4   1.512   2.454   2.950
   33   1HG2  ILE   4          HG21      ILE   4  -0.756   1.403   3.557
   34   2HG2  ILE   4          HG22      ILE   4   0.084  -0.118   3.182
   35   3HG2  ILE   4          HG23      ILE   4  -0.763   0.065   4.725
   36   1HD1  ILE   4          HD11      ILE   4   3.988   2.389   3.038
   37   2HD1  ILE   4          HD12      ILE   4   3.293   3.172   4.447
   38   3HD1  ILE   4          HD13      ILE   4   3.909   1.496   4.563
   39    H    PHE   5           H        PHE   5   3.140   2.411   6.245
   40    HA   PHE   5           HA       PHE   5   3.034   1.431   9.083
   41   1HB   PHE   5          HB2       PHE   5   5.435   1.371   7.256
   42   2HB   PHE   5          HB3       PHE   5   5.237   0.537   8.793
   43    HD1  PHE   5           HD1      PHE   5   2.610  -0.852   8.412
   44    HD2  PHE   5           HD2      PHE   5   5.885  -0.270   5.656
   45    HE1  PHE   5           HE1      PHE   5   1.816  -2.761   7.055
   46    HE2  PHE   5           HE2      PHE   5   5.074  -2.173   4.300
   47    HZ   PHE   5           HZ       PHE   5   3.033  -3.416   4.985
   48    H    THR   6           H        THR   6   2.567   4.099   7.828
   49    HA   THR   6           HA       THR   6   2.988   6.246   8.430
   50    HB   THR   6           HB       THR   6   5.819   5.700   9.345
   51    HG1  THR   6           HG1      THR   6   4.609   4.413  10.617
   52   1HG2  THR   6          HG21      THR   6   3.772   7.846  10.040
   53   2HG2  THR   6          HG22      THR   6   5.383   7.676  10.761
   54   3HG2  THR   6          HG23      THR   6   5.229   8.074   9.044
   55    H    TYR   7           H        TYR   7   4.969   4.202   6.489
   56    HA   TYR   7           HA       TYR   7   5.613   4.357   4.380
   57   1HB   TYR   7          HB2       TYR   7   3.671   5.635   3.811
   58   2HB   TYR   7          HB3       TYR   7   4.409   7.146   4.332
   59    HD1  TYR   7           HD1      TYR   7   4.824   4.334   1.885
   60    HD2  TYR   7           HD2      TYR   7   5.659   8.460   2.822
   61    HE1  TYR   7           HE1      TYR   7   5.733   4.670  -0.393
   62    HE2  TYR   7           HE2      TYR   7   6.448   8.820   0.499
   63    HH   TYR   7           HH       TYR   7   7.168   6.150  -1.605
   64    H    GLY   8           H        GLY   8   6.416   7.366   6.080
   65   1HA   GLY   8          HA2       GLY   8   8.777   8.091   4.828
   66   2HA   GLY   8          HA3       GLY   8   8.509   8.272   6.571
   67    H    GLU   9           H        GLU   9   8.461   5.664   7.463
   68    HA   GLU   9           HA       GLU   9  11.269   5.061   7.555
   69   1HB   GLU   9          HB2       GLU   9  10.446   2.913   8.711
   70   2HB   GLU   9          HB3       GLU   9  10.276   4.477   9.502
   71   1HG   GLU   9          HG2       GLU   9   8.310   3.069   9.847
   72   2HG   GLU   9          HG3       GLU   9   7.892   4.564   9.031
   73    H    LEU  10           H        LEU  10   8.573   3.686   5.672
   74    HA   LEU  10           HA       LEU  10  10.052   1.483   4.632
   75   1HB   LEU  10          HB2       LEU  10   7.585   1.616   4.621
   76   2HB   LEU  10          HB3       LEU  10   7.649   2.969   3.488
   77    HG   LEU  10           HG       LEU  10   8.688   1.512   1.773
   78   1HD1  LEU  10          HD11      LEU  10   8.600  -0.970   2.126
   79   2HD1  LEU  10          HD12      LEU  10   9.808  -0.183   3.143
   80   3HD1  LEU  10          HD13      LEU  10   8.254  -0.690   3.845
   81   1HD2  LEU  10          HD21      LEU  10   6.649   0.219   1.289
   82   2HD2  LEU  10          HD22      LEU  10   6.086   0.456   2.956
   83   3HD2  LEU  10          HD23      LEU  10   6.250   1.846   1.861
   84    H    GLN  11           H        GLN  11   9.444   4.821   3.446
   85    HA   GLN  11           HA       GLN  11  11.037   4.565   1.089
   86   1HB   GLN  11          HB2       GLN  11  10.190   6.954   2.761
   87   2HB   GLN  11          HB3       GLN  11  11.242   7.140   1.362
   88   1HG   GLN  11          HG2       GLN  11   8.451   5.928   1.360
   89   2HG   GLN  11          HG3       GLN  11   8.906   7.526   0.744
   90   1HE2  GLN  11          HE22      GLN  11  11.333   6.827  -0.658
   91   2HE2  GLN  11          HE21      GLN  11  10.920   5.730  -1.961
   92    H    ARG  12           H        ARG  12  11.970   5.432   4.455
   93    HA   ARG  12           HA       ARG  12  14.704   5.961   3.726
   94   1HB   ARG  12          HB2       ARG  12  13.417   5.169   6.355
   95   2HB   ARG  12          HB3       ARG  12  15.157   5.467   6.168
   96   1HG   ARG  12          HG2       ARG  12  14.765   7.691   5.286
   97   2HG   ARG  12          HG3       ARG  12  13.019   7.455   5.297
   98   1HD   ARG  12          HD2       ARG  12  13.709   8.796   7.271
   99   2HD   ARG  12          HD3       ARG  12  12.984   7.261   7.735
  100    HE   ARG  12           HE       ARG  12  14.933   6.598   8.708
  101   1HH1  ARG  12          HH21      ARG  12  15.681   9.265   6.522
  102   2HH1  ARG  12          HH22      ARG  12  17.341   9.413   7.032
  103   1HH2  ARG  12          HH11      ARG  12  17.094   6.769   9.388
  104   2HH2  ARG  12          HH12      ARG  12  18.158   7.960   8.691
  105    H    MET  13           H        MET  13  13.138   2.918   4.872
  106    HA   MET  13           HA       MET  13  15.509   1.334   4.713
  107   1HB   MET  13          HB2       MET  13  12.573   0.593   4.374
  108   2HB   MET  13          HB3       MET  13  13.891  -0.587   4.455
  109   1HG   MET  13          HG2       MET  13  13.243   1.423   6.645
  110   2HG   MET  13          HG3       MET  13  12.768  -0.275   6.633
  111   1HE   MET  13          HE1       MET  13  14.260   1.218   9.028
  112   2HE   MET  13          HE2       MET  13  13.751  -0.489   9.073
  113   3HE   MET  13          HE3       MET  13  15.419  -0.046   9.504
  114    H    GLN  14           H        GLN  14  13.041   2.086   2.256
  115    HA   GLN  14           HA       GLN  14  14.134   0.658   0.081
  116   1HB   GLN  14          HB2       GLN  14  11.906   1.719   0.191
  117   2HB   GLN  14          HB3       GLN  14  12.668   3.310   0.171
  118   1HG   GLN  14          HG2       GLN  14  13.588   2.764  -2.123
  119   2HG   GLN  14          HG3       GLN  14  12.544   1.329  -2.112
  120   1HE2  GLN  14          HE22      GLN  14  10.175   2.087  -1.074
  121   2HE2  GLN  14          HE21      GLN  14   9.538   3.569  -1.768
  122    H    GLU  15           H        GLU  15  14.819   4.057   1.195
  123    HA   GLU  15           HA       GLU  15  16.673   4.670  -0.846
  124   1HB   GLU  15          HB2       GLU  15  15.612   6.274   0.718
  125   2HB   GLU  15          HB3       GLU  15  16.622   5.682   2.037
  126   1HG   GLU  15          HG2       GLU  15  17.690   6.906  -0.553
  127   2HG   GLU  15          HG3       GLU  15  17.392   7.818   0.932
  128    H    LYS  16           H        LYS  16  17.205   3.299   2.429
  129    HA   LYS  16           HA       LYS  16  20.015   2.985   2.252
  130   1HB   LYS  16          HB2       LYS  16  17.904   1.424   3.784
  131   2HB   LYS  16          HB3       LYS  16  19.650   1.202   3.997
  132   1HG   LYS  16          HG2       LYS  16  19.950   3.459   4.777
  133   2HG   LYS  16          HG3       LYS  16  18.335   3.938   4.277
  134   1HD   LYS  16          HD2       LYS  16  18.437   3.637   6.709
  135   2HD   LYS  16          HD3       LYS  16  17.273   2.551   5.949
  136   1HE   LYS  16          HE2       LYS  16  18.573   1.418   7.720
  137   2HE   LYS  16          HE3       LYS  16  18.823   0.656   6.148
  138   1HZ   LYS  16          HZ1       LYS  16  20.887   1.849   5.967
  139   2HZ   LYS  16          HZ2       LYS  16  20.644   2.581   7.425
  140   3HZ   LYS  16          HZ3       LYS  16  20.865   0.950   7.347
  141    H    GLU  17           H        GLU  17  17.388   0.685   1.408
  142    HA   GLU  17           HA       GLU  17  18.977  -1.480   0.595
  143   1HB   GLU  17          HB2       GLU  17  16.516  -1.518   0.942
  144   2HB   GLU  17          HB3       GLU  17  16.292  -0.571  -0.536
  145   1HG   GLU  17          HG2       GLU  17  17.332  -2.416  -1.857
  146   2HG   GLU  17          HG3       GLU  17  17.539  -3.348  -0.364
  147    H    ARG  18           H        ARG  18  17.655   1.213  -1.407
  148    HA   ARG  18           HA       ARG  18  18.911   0.437  -3.842
  149   1HB   ARG  18          HB2       ARG  18  18.017   3.156  -2.800
  150   2HB   ARG  18          HB3       ARG  18  18.631   2.875  -4.439
  151   1HG   ARG  18          HG2       ARG  18  16.850   1.256  -4.893
  152   2HG   ARG  18          HG3       ARG  18  16.231   1.407  -3.247
  153   1HD   ARG  18          HD2       ARG  18  14.860   2.783  -4.751
  154   2HD   ARG  18          HD3       ARG  18  15.735   3.791  -3.604
  155    HE   ARG  18           HE       ARG  18  16.880   4.786  -5.305
  156   1HH1  ARG  18          HH21      ARG  18  15.490   1.792  -6.553
  157   2HH1  ARG  18          HH22      ARG  18  15.924   2.106  -8.212
  158   1HH2  ARG  18          HH11      ARG  18  17.468   5.213  -7.460
  159   2HH2  ARG  18          HH12      ARG  18  17.078   4.087  -8.731
  160    H    ASN  19           H        ASN  19  20.034   2.675  -1.264
  161    HA   ASN  19           HA       ASN  19  22.449   3.474  -2.461
  162   1HB   ASN  19          HB2       ASN  19  21.619   4.586  -0.483
  163   2HB   ASN  19          HB3       ASN  19  21.714   3.098   0.465
  164   1HD2  ASN  19          HD22      ASN  19  23.804   5.366  -1.421
  165   2HD2  ASN  19          HD21      ASN  19  25.216   5.099  -0.413
  166    H    LYS  20           H        LYS  20  21.909   0.690  -0.215
  167    HA   LYS  20           HA       LYS  20  24.645  -0.209  -0.442
  168   1HB   LYS  20          HB2       LYS  20  22.126  -1.676   0.438
  169   2HB   LYS  20          HB3       LYS  20  23.766  -2.292   0.626
  170   1HG   LYS  20          HG2       LYS  20  22.568   0.176   1.960
  171   2HG   LYS  20          HG3       LYS  20  22.993  -1.350   2.726
  172   1HD   LYS  20          HD2       LYS  20  24.898   0.738   1.568
  173   2HD   LYS  20          HD3       LYS  20  24.631   0.348   3.262
  174   1HE   LYS  20          HE2       LYS  20  25.518  -1.964   2.876
  175   2HE   LYS  20          HE3       LYS  20  25.874  -1.529   1.192
  176   1HZ   LYS  20          HZ1       LYS  20  27.322   0.177   1.987
  177   2HZ   LYS  20          HZ2       LYS  20  27.012  -0.226   3.555
  178   3HZ   LYS  20          HZ3       LYS  20  27.779  -1.296   2.564
  179    H    GLY  21           H        GLY  21  21.670  -0.993  -2.234
  180   1HA   GLY  21          HA2       GLY  21  22.663  -3.166  -3.762
  181   2HA   GLY  21          HA3       GLY  21  21.380  -2.039  -4.240
  182    H    GLN  22           H        GLN  22  22.801   0.377  -4.312
  183    HA   GLN  22           HA       GLN  22  23.929   0.335  -6.898
  184   1HB   GLN  22          HB2       GLN  22  22.893   2.282  -5.738
  185   2HB   GLN  22          HB3       GLN  22  24.322   2.406  -4.697
  186   1HG   GLN  22          HG2       GLN  22  25.746   2.802  -6.698
  187   2HG   GLN  22          HG3       GLN  22  24.317   2.680  -7.738
  188   1HE2  GLN  22          HE22      GLN  22  22.393   4.200  -6.773
  189   2HE2  GLN  22          HE21      GLN  22  22.942   5.839  -6.457
  Start of MODEL   24
    1   1H    PHE   1          H1        PHE   1  -0.295  10.243   1.872
    2   2H    PHE   1          H2        PHE   1  -1.372   9.900   0.680
    3   3H    PHE   1          H3        PHE   1   0.149  10.419   0.287
    4    HA   PHE   1           HA       PHE   1  -0.107   8.065  -0.058
    5   1HB   PHE   1          HB2       PHE   1   1.858   7.333   1.307
    6   2HB   PHE   1          HB3       PHE   1   2.107   8.804   0.383
    7    HD1  PHE   1           HD1      PHE   1   2.930  10.754   1.442
    8    HD2  PHE   1           HD2      PHE   1   1.261   7.592   3.859
    9    HE1  PHE   1           HE1      PHE   1   3.717  11.894   3.495
   10    HE2  PHE   1           HE2      PHE   1   2.013   8.762   5.903
   11    HZ   PHE   1           HZ       PHE   1   3.258  10.904   5.728
   12    H    VAL   2           H        VAL   2  -0.350   5.936   0.898
   13    HA   VAL   2           HA       VAL   2  -2.208   5.844   3.176
   14    HB   VAL   2           HB       VAL   2  -0.973   3.593   1.542
   15   1HG1  VAL   2          HG11      VAL   2  -1.773   2.901   3.806
   16   2HG1  VAL   2          HG12      VAL   2  -3.352   3.632   3.459
   17   3HG1  VAL   2          HG13      VAL   2  -2.788   2.237   2.517
   18   1HG2  VAL   2          HG21      VAL   2  -3.215   3.478   0.461
   19   2HG2  VAL   2          HG22      VAL   2  -3.690   4.965   1.307
   20   3HG2  VAL   2          HG23      VAL   2  -2.391   4.998   0.096
   21    HA   PRO   3           HA       PRO   3   1.618   5.616   5.557
   22   1HB   PRO   3          HB2       PRO   3   0.682   5.720   8.106
   23   2HB   PRO   3          HB3       PRO   3   0.474   7.073   6.967
   24   1HG   PRO   3          HG2       PRO   3  -1.534   4.880   7.565
   25   2HG   PRO   3          HG3       PRO   3  -1.795   6.648   7.655
   26   1HD   PRO   3          HD2       PRO   3  -2.457   5.218   5.431
   27   2HD   PRO   3          HD3       PRO   3  -1.762   6.862   5.294
   28    H    ILE   4           H        ILE   4   1.173   3.218   4.370
   29    HA   ILE   4           HA       ILE   4   0.163   1.101   5.793
   30    HB   ILE   4           HB       ILE   4   2.104  -0.227   4.385
   31   1HG1  ILE   4          HG12      ILE   4   2.394   0.802   2.215
   32   2HG1  ILE   4          HG13      ILE   4   1.636   2.299   2.742
   33   1HG2  ILE   4          HG21      ILE   4  -0.448   0.963   3.259
   34   2HG2  ILE   4          HG22      ILE   4   0.427  -0.442   2.620
   35   3HG2  ILE   4          HG23      ILE   4  -0.317  -0.525   4.222
   36   1HD1  ILE   4          HD11      ILE   4   3.540   2.845   4.117
   37   2HD1  ILE   4          HD12      ILE   4   4.221   1.197   3.919
   38   3HD1  ILE   4          HD13      ILE   4   4.140   2.319   2.550
   39    H    PHE   5           H        PHE   5   3.556   1.979   5.779
   40    HA   PHE   5           HA       PHE   5   3.843   0.862   8.532
   41   1HB   PHE   5          HB2       PHE   5   6.092   0.929   6.503
   42   2HB   PHE   5          HB3       PHE   5   6.070   0.131   8.069
   43    HD1  PHE   5           HD1      PHE   5   3.624  -1.507   8.032
   44    HD2  PHE   5           HD2      PHE   5   6.438  -0.699   4.863
   45    HE1  PHE   5           HE1      PHE   5   2.885  -3.548   6.848
   46    HE2  PHE   5           HE2      PHE   5   5.684  -2.738   3.677
   47    HZ   PHE   5           HZ       PHE   5   3.901  -4.164   4.661
   48    H    THR   6           H        THR   6   2.896   3.380   7.693
   49    HA   THR   6           HA       THR   6   3.259   5.624   7.771
   50    HB   THR   6           HB       THR   6   5.748   5.033   9.432
   51    HG1  THR   6           HG1      THR   6   4.304   5.060  11.152
   52   1HG2  THR   6          HG21      THR   6   5.211   7.215  10.456
   53   2HG2  THR   6          HG22      THR   6   5.495   7.411   8.721
   54   3HG2  THR   6          HG23      THR   6   3.835   7.414   9.354
   55    H    TYR   7           H        TYR   7   3.587   5.165   5.512
   56    HA   TYR   7           HA       TYR   7   5.223   4.560   3.749
   57   1HB   TYR   7          HB2       TYR   7   3.324   5.965   3.235
   58   2HB   TYR   7          HB3       TYR   7   4.150   7.374   3.905
   59    HD1  TYR   7           HD1      TYR   7   5.397   8.799   2.499
   60    HD2  TYR   7           HD2      TYR   7   4.514   4.782   1.201
   61    HE1  TYR   7           HE1      TYR   7   6.469   9.269   0.326
   62    HE2  TYR   7           HE2      TYR   7   5.606   5.256  -0.978
   63    HH   TYR   7           HH       TYR   7   7.025   8.440  -1.755
   64    H    GLY   8           H        GLY   8   6.000   7.716   5.153
   65   1HA   GLY   8          HA2       GLY   8   8.361   8.362   3.873
   66   2HA   GLY   8          HA3       GLY   8   8.034   8.753   5.569
   67    H    GLU   9           H        GLU   9   8.033   6.211   6.735
   68    HA   GLU   9           HA       GLU   9  10.843   5.758   7.089
   69   1HB   GLU   9          HB2       GLU   9   8.489   3.996   7.914
   70   2HB   GLU   9          HB3       GLU   9  10.138   3.941   8.555
   71   1HG   GLU   9          HG2       GLU   9   8.126   6.216   8.878
   72   2HG   GLU   9          HG3       GLU   9   8.724   5.126  10.127
   73    H    LEU  10           H        LEU  10   8.336   4.037   5.198
   74    HA   LEU  10           HA       LEU  10  10.062   1.830   4.476
   75   1HB   LEU  10          HB2       LEU  10   7.622   1.619   4.375
   76   2HB   LEU  10          HB3       LEU  10   7.529   2.921   3.185
   77    HG   LEU  10           HG       LEU  10   8.813   1.547   1.555
   78   1HD1  LEU  10          HD11      LEU  10   9.056  -0.900   2.006
   79   2HD1  LEU  10          HD12      LEU  10  10.104   0.081   3.033
   80   3HD1  LEU  10          HD13      LEU  10   8.612  -0.616   3.702
   81   1HD2  LEU  10          HD21      LEU  10   6.368   1.566   1.530
   82   2HD2  LEU  10          HD22      LEU  10   6.998  -0.019   1.054
   83   3HD2  LEU  10          HD23      LEU  10   6.322   0.212   2.678
   84    H    GLN  11           H        GLN  11   9.113   4.935   2.986
   85    HA   GLN  11           HA       GLN  11  10.568   4.628   0.579
   86   1HB   GLN  11          HB2       GLN  11   8.753   6.269   1.122
   87   2HB   GLN  11          HB3       GLN  11   9.922   7.250   2.009
   88   1HG   GLN  11          HG2       GLN  11  10.476   6.455  -0.883
   89   2HG   GLN  11          HG3       GLN  11   9.286   7.705  -0.525
   90   1HE2  GLN  11          HE22      GLN  11  12.770   6.890  -0.036
   91   2HE2  GLN  11          HE21      GLN  11  13.238   8.582   0.088
   92    H    ARG  12           H        ARG  12  11.548   6.011   3.753
   93    HA   ARG  12           HA       ARG  12  14.224   6.670   2.952
   94   1HB   ARG  12          HB2       ARG  12  12.914   6.130   5.634
   95   2HB   ARG  12          HB3       ARG  12  14.635   6.532   5.476
   96   1HG   ARG  12          HG2       ARG  12  14.183   8.613   4.409
   97   2HG   ARG  12          HG3       ARG  12  12.477   8.238   4.181
   98   1HD   ARG  12          HD2       ARG  12  12.760   9.811   6.092
   99   2HD   ARG  12          HD3       ARG  12  12.046   8.279   6.576
  100    HE   ARG  12           HE       ARG  12  13.818   7.827   7.920
  101   1HH1  ARG  12          HH11      ARG  12  14.808  10.342   5.655
  102   2HH1  ARG  12          HH12      ARG  12  16.321  10.679   6.453
  103   1HH2  ARG  12          HH21      ARG  12  15.787   8.233   8.974
  104   2HH2  ARG  12          HH22      ARG  12  16.890   9.444   8.378
  105    H    MET  13           H        MET  13  12.868   3.726   4.527
  106    HA   MET  13           HA       MET  13  15.238   2.244   4.714
  107   1HB   MET  13          HB2       MET  13  13.174   1.537   5.730
  108   2HB   MET  13          HB3       MET  13  12.390   1.308   4.163
  109   1HG   MET  13          HG2       MET  13  14.893  -0.222   4.911
  110   2HG   MET  13          HG3       MET  13  13.283  -0.756   5.407
  111   1HE   MET  13          HE1       MET  13  15.405  -2.496   3.728
  112   2HE   MET  13          HE2       MET  13  13.838  -3.108   4.318
  113   3HE   MET  13          HE3       MET  13  14.286  -3.306   2.607
  114    H    GLN  14           H        GLN  14  12.997   2.559   1.912
  115    HA   GLN  14           HA       GLN  14  14.423   0.953   0.105
  116   1HB   GLN  14          HB2       GLN  14  12.191   1.933  -0.351
  117   2HB   GLN  14          HB3       GLN  14  12.927   3.531  -0.484
  118   1HG   GLN  14          HG2       GLN  14  14.340   2.653  -2.406
  119   2HG   GLN  14          HG3       GLN  14  13.378   1.169  -2.325
  120   1HE2  GLN  14          HE22      GLN  14  13.006   4.784  -2.498
  121   2HE2  GLN  14          HE21      GLN  14  11.630   4.713  -3.593
  122    H    GLU  15           H        GLU  15  14.999   4.482   0.887
  123    HA   GLU  15           HA       GLU  15  17.132   4.659  -1.043
  124   1HB   GLU  15          HB2       GLU  15  16.931   6.329   1.487
  125   2HB   GLU  15          HB3       GLU  15  17.776   6.696  -0.022
  126   1HG   GLU  15          HG2       GLU  15  14.832   6.718   0.558
  127   2HG   GLU  15          HG3       GLU  15  15.822   8.005  -0.113
  128    H    LYS  16           H        LYS  16  17.137   3.898   2.459
  129    HA   LYS  16           HA       LYS  16  19.965   3.658   2.743
  130   1HB   LYS  16          HB2       LYS  16  17.726   2.167   4.173
  131   2HB   LYS  16          HB3       LYS  16  19.413   2.174   4.686
  132   1HG   LYS  16          HG2       LYS  16  17.665   4.675   4.492
  133   2HG   LYS  16          HG3       LYS  16  17.952   3.733   5.958
  134   1HD   LYS  16          HD2       LYS  16  20.418   4.167   5.715
  135   2HD   LYS  16          HD3       LYS  16  20.065   5.228   4.334
  136   1HE   LYS  16          HE2       LYS  16  18.642   6.655   5.783
  137   2HE   LYS  16          HE3       LYS  16  19.005   5.609   7.170
  138   1HZ   LYS  16          HZ1       LYS  16  20.975   7.146   5.629
  139   2HZ   LYS  16          HZ2       LYS  16  20.399   7.531   7.124
  140   3HZ   LYS  16          HZ3       LYS  16  21.309   6.174   6.917
  141    H    GLU  17           H        GLU  17  17.518   1.250   1.752
  142    HA   GLU  17           HA       GLU  17  19.296  -0.942   1.454
  143   1HB   GLU  17          HB2       GLU  17  16.798  -0.989   1.539
  144   2HB   GLU  17          HB3       GLU  17  16.731  -0.364  -0.108
  145   1HG   GLU  17          HG2       GLU  17  18.204  -2.935   0.642
  146   2HG   GLU  17          HG3       GLU  17  16.483  -2.894   0.252
  147    H    ARG  18           H        ARG  18  18.070   1.415  -0.983
  148    HA   ARG  18           HA       ARG  18  19.617   0.530  -3.136
  149   1HB   ARG  18          HB2       ARG  18  17.665   2.271  -3.057
  150   2HB   ARG  18          HB3       ARG  18  18.903   3.436  -2.596
  151   1HG   ARG  18          HG2       ARG  18  18.783   3.795  -4.854
  152   2HG   ARG  18          HG3       ARG  18  20.108   2.632  -4.818
  153   1HD   ARG  18          HD2       ARG  18  17.166   2.058  -5.468
  154   2HD   ARG  18          HD3       ARG  18  18.494   2.162  -6.610
  155    HE   ARG  18           HE       ARG  18  19.438   0.148  -5.855
  156   1HH1  ARG  18          HH21      ARG  18  16.347   0.749  -4.163
  157   2HH1  ARG  18          HH22      ARG  18  16.345  -0.857  -3.467
  158   1HH2  ARG  18          HH11      ARG  18  19.351  -1.837  -4.974
  159   2HH2  ARG  18          HH12      ARG  18  17.999  -2.365  -3.980
  160    H    ASN  19           H        ASN  19  20.531   2.761  -0.549
  161    HA   ASN  19           HA       ASN  19  22.928   3.735  -1.534
  162   1HB   ASN  19          HB2       ASN  19  21.701   4.165   0.724
  163   2HB   ASN  19          HB3       ASN  19  22.686   2.841   1.355
  164   1HD2  ASN  19          HD22      ASN  19  25.195   3.463  -0.104
  165   2HD2  ASN  19          HD21      ASN  19  25.730   4.988   0.578
  166    H    LYS  20           H        LYS  20  22.270   0.459  -0.290
  167    HA   LYS  20           HA       LYS  20  25.149  -0.267  -0.690
  168   1HB   LYS  20          HB2       LYS  20  24.569  -2.386   0.402
  169   2HB   LYS  20          HB3       LYS  20  24.542  -0.950   1.429
  170   1HG   LYS  20          HG2       LYS  20  22.089  -0.876   1.361
  171   2HG   LYS  20          HG3       LYS  20  22.044  -2.320   0.340
  172   1HD   LYS  20          HD2       LYS  20  23.128  -2.108   3.184
  173   2HD   LYS  20          HD3       LYS  20  21.588  -2.822   2.702
  174   1HE   LYS  20          HE2       LYS  20  24.377  -3.894   2.066
  175   2HE   LYS  20          HE3       LYS  20  23.171  -4.598   3.143
  176   1HZ   LYS  20          HZ1       LYS  20  21.748  -4.925   1.243
  177   2HZ   LYS  20          HZ2       LYS  20  22.895  -4.301   0.237
  178   3HZ   LYS  20          HZ3       LYS  20  23.190  -5.701   1.052
  179    H    GLY  21           H        GLY  21  21.823  -1.354  -1.575
  180   1HA   GLY  21          HA2       GLY  21  22.848  -3.197  -3.610
  181   2HA   GLY  21          HA3       GLY  21  21.163  -2.825  -3.225
  182    H    GLN  22           H        GLN  22  24.002  -0.951  -4.356
  183    HA   GLN  22           HA       GLN  22  22.449   0.928  -5.848
  184   1HB   GLN  22          HB2       GLN  22  25.403   0.198  -6.046
  185   2HB   GLN  22          HB3       GLN  22  24.645   1.621  -6.785
  186   1HG   GLN  22          HG2       GLN  22  23.974   2.456  -4.561
  187   2HG   GLN  22          HG3       GLN  22  24.675   1.024  -3.790
  188   1HE2  GLN  22          HE22      GLN  22  25.999   2.472  -2.516
  189   2HE2  GLN  22          HE21      GLN  22  27.445   3.178  -3.241