*HEADER    ANTIBIOTIC                              19-APR-01   1IH9              
*TITLE     NMR STRUCTURE OF ZERVAMICIN IIB (PEPTAIBOL ANTIBIOTIC)                
*TITLE    2 BOUND TO DPC MICELLES                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZERVAMICIN IIB;                                            
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA;                  
*SOURCE   3 STRAIN: 336 IMI 58330                                                
*KEYWDS    BENT HELIX                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.O.SHENKAREV, T.A.BALASHEVA, R.G.EFREMOV, Z.A.YAKIMENKO,             
*AUTHOR   2 T.V.OVCHINNIKOVA, J.RAAP, A.S.ARSENIEV                               
*REVDAT   1   13-FEB-02 1IH9    0                                                
#Contencated restraints files for Zrv-IIB in DPC in Dyana format

#Upl restraints, acount for free rotation of some side-chains
#some restraints from noe50 peaklist, other from noe100
  1 GLY  QA      2 TRP  HA      5.14                
#  1 GLY  QA      2 TRP  HD1     6.07                
#  1 GLY  QA      2 TRP  HE3     6.38                
  1 GLY  QA      3 ILE  HN      5.04                
  1 GLY  QA      4 GLN  HN      4.98                
  1 GLY  QA      5 IVA  HN      5.73                
  1 GLY  QA      5 IVA  QB2     7.40                
  1 GLY  QA      5 IVA  QG      7.41                
#  1 GLY  QA     15 AIB  HN      6.19                
#  1 GLY  QA     15 AIB  QB1     7.40                
#  1 GLY  QA     16 PRO  HG3     6.38                
  2 TRP  HN      2 TRP  CB      3.14                
#  2 TRP  HN      2 TRP  HB3     3.14  -free rotation              
#  2 TRP  HN      2 TRP  QB      2.92                
#  2 TRP  HN      2 TRP  HD1     3.67                
  2 TRP  HN      3 ILE  HN      3.14                
#  2 TRP  HA      2 TRP  HB2     2.77                
#  2 TRP  HA      2 TRP  HB3     2.77                
#  2 TRP  HA      2 TRP  HD1     3.89                
#  2 TRP  HA      2 TRP  HE3     3.27                
  2 TRP  HA      5 IVA  HN      3.64                
  2 TRP  HA      5 IVA  QB2     4.17                
#  2 TRP  HB2     2 TRP  HD1     3.55                
#  2 TRP  HB2     2 TRP  HE3     3.67                
  2 TRP  HB2     3 ILE  HN      3.95                
#  2 TRP  HB3     2 TRP  HD1     3.55                
#  2 TRP  HB3     2 TRP  HE3     3.67                
  2 TRP  HB3     3 ILE  HN      3.95                
#  2 TRP  QB      2 TRP  HD1     3.37                
#  2 TRP  QB      2 TRP  HE3     3.44                
  2 TRP  CB      3 ILE  HN      3.68                
#  2 TRP  CB      6 ILE  QD1     7.37                
#  2 TRP  HD1     5 IVA  QB2     6.53                
#  2 TRP  HE3     3 ILE  HA      5.50                
#  2 TRP  HE3     5 IVA  QB2     5.07                
#  2 TRP  HE3     6 ILE  QG2     6.25                
#  2 TRP  HE3     6 ILE  QD1     5.13                
#  2 TRP  HZ3     6 ILE  QD1     6.53                
#  3 ILE  HN      3 ILE  HB      2.71                
#  3 ILE  HN      3 ILE  QG2     4.85                
#  3 ILE  HN      3 ILE  HG12    4.01                
#  3 ILE  HN      3 ILE  HG13    4.01                
#  3 ILE  HN      3 ILE  QG1     3.73                
  3 ILE  HN      4 GLN  HN      3.08                
#  3 ILE  HA      3 ILE  HB      2.77                
#  3 ILE  HA      3 ILE  QG2     3.64                
#  3 ILE  HA      3 ILE  QG1     3.74                
  3 ILE  HA      5 IVA  HN      4.20                
  3 ILE  HA      6 ILE  HN      3.73                
  3 ILE  HA      6 ILE  HB      3.05                
#  3 ILE  HA      6 ILE  QG2     4.39                
#  3 ILE  HA      6 ILE  QD1     5.13                
#  3 ILE  HB      4 GLN  HN      3.11                
#  3 ILE  QG2     4 GLN  HN      4.79                
#  3 ILE  QG2     4 GLN  HA      5.23                
  4 GLN  HN      4 GLN  CB      3.02   # - free rotation   
#  4 GLN  HN      4 GLN  HB3     3.02                
#  4 GLN  HN      4 GLN  QB      2.75                
#  4 GLN  HN      4 GLN  QG      6.00                
  4 GLN  HN      5 IVA  HN      3.02                
  4 GLN  HN      5 IVA  QB2     6.53                
#  4 GLN  HA      4 GLN  HB2     2.68                
#  4 GLN  HA      4 GLN  HB3     2.68                
  4 GLN  HA      7 THR  HN      3.55                
#  4 GLN  HA      7 THR  HB      2.77                
#  4 GLN  HA      7 THR  QG2     5.38                
  4 GLN  HA      8 AIB  HN      4.07                
#  4 GLN  HA     14 HYP  HB3     4.04                
  4 GLN  CB      5 IVA  HN      3.21  #free rotation              
#  4 GLN  HB2     5 IVA  QG      6.23                
  4 GLN  CB      8 AIB  HN      5.34  #free rotation              
#  4 GLN  HB2    15 AIB  HN      4.63                
#  4 GLN  HB3     5 IVA  HN      3.21                
  4 GLN  CB      5 IVA  QG      6.23  #free rotation              
#  4 GLN  HB3     8 AIB  HN      5.34                
#  4 GLN  HB3    15 AIB  HN      4.63                
#  4 GLN  QB      5 IVA  HN      3.02                
#  4 GLN  QB      5 IVA  QG      5.63                
#  4 GLN  QB      8 AIB  HN      5.01                
#  4 GLN  QG      5 IVA  QG      6.92                
#  4 GLN  QG     14 HYP  HD22    6.38                
#  4 GLN  QG     15 AIB  HN      6.38                
  5 IVA  HN      5 IVA  HB12    4.07                
  5 IVA  HN      5 IVA  QG      4.77                
  5 IVA  HN      6 ILE  HN      3.14                
  5 IVA  QB2     6 ILE  HN      4.42                
#  5 IVA  QB2     6 ILE  QD1     7.56                
  5 IVA  HB12    8 AIB  HN      4.07                
  5 IVA  HB12    8 AIB  QB1     4.02                
  5 IVA  HB13    8 AIB  HN      4.76                
#  5 IVA  HB13   12 GLN  HN      5.50                
  5 IVA  QG      6 ILE  HN      6.54                
  5 IVA  QG      8 AIB  HN      6.54                
#  6 ILE  HN      6 ILE  HB      2.65                
#  6 ILE  HN      6 ILE  HG12    4.17                
#  6 ILE  HN      6 ILE  HG13    4.17                
#  6 ILE  HN      6 ILE  QG1     3.74                
#  6 ILE  HN      6 ILE  QD1     6.16                
  6 ILE  HN      7 THR  HN      3.14                
#  6 ILE  HA      6 ILE  HB      2.93                
#  6 ILE  HA      6 ILE  QG2     3.74                
#  6 ILE  HA      6 ILE  QG1     3.63                
#  6 ILE  HA      6 ILE  QD1     4.48                
  6 ILE  HA      9 LEU  HN      3.64                
  6 ILE  HA      9 LEU  QD1     5.04                
#  6 ILE  HB      7 THR  HN      3.14                
#  6 ILE  QG2     7 THR  HN      5.41                
#  6 ILE  QG2     7 THR  QG2     7.56                
#  6 ILE  QG2    10 AIB  QB1     7.56                
#  6 ILE  QG2    10 AIB  QB2     7.56                
#  7 THR  HN      7 THR  HB      3.05                
  7 THR  HN      8 AIB  HN      3.08                
#  7 THR  HA      7 THR  HB      2.83                
#  7 THR  HA      7 THR  QG2     3.58                
  7 THR  HA      8 AIB  HN      3.55                
  7 THR  HA      9 LEU  HN      4.29                
  7 THR  HA     10 AIB  QB1     5.04                
  7 THR  HB      8 AIB  HN      3.21                
#  7 THR  QG2     8 AIB  HN      6.22                
#  7 THR  QG2     8 AIB  QB1     7.56                
#  7 THR  QG2     8 AIB  QB2     7.56                
#  7 THR  QG2     9 LEU  HA      6.53                
#  7 THR  QG2    10 AIB  QB1     7.56                
  8 AIB  HN      9 LEU  HN      2.99                
  8 AIB  QB1     9 LEU  HN      4.02                
  8 AIB  QB1     9 LEU  HA      6.53                
  8 AIB  QB1     9 LEU  QD1     7.56                
  8 AIB  QB1     9 LEU  QD2     7.56                
  8 AIB  QB2    11 HYP  HD22    6.53                
  8 AIB  QB2    11 HYP  HD23    4.98                
  9 LEU  HN      9 LEU  HG      2.99                
  9 LEU  HN      9 LEU  QD1     6.53                
  9 LEU  HN      9 LEU  QD2     6.53                
  9 LEU  HN     10 AIB  HN      2.90                
  9 LEU  HA      9 LEU  HG      3.61                
  9 LEU  HA      9 LEU  QD1     6.53                
  9 LEU  HA      9 LEU  QD2     6.53                
  9 LEU  HA     12 GLN  HN      4.79                
  9 LEU  HA     12 GLN  QB      6.10                
  9 LEU  HA     12 GLN  HG3     4.23                
#  9 LEU  HA     12 GLN  HE21    4.48                
#  9 LEU  HB2    12 GLN  HE21    4.00 #+0.14 sp dif                
#  9 LEU  HB3    12 GLN  HE21    3.52                
  9 LEU  HB2    10 AIB  HN      3.92 #?
#  9 LEU  HG     12 GLN  HE21    4.79                
  9 LEU  QD2    12 GLN  HG3     5.81                
#  9 LEU  QD2    12 GLN  HE21    5.75                
 10 AIB  HN     10 AIB  QB1     3.49                
 10 AIB  HN     11 HYP  HD22    4.72                
 10 AIB  HN     11 HYP  HD23    4.76                
 10 AIB  QB1    11 HYP  HD22    4.26                
 10 AIB  QB1    11 HYP  HD23    3.77                
 10 AIB  QB1    12 GLN  HN      6.53                
 10 AIB  QB1    13 AIB  HN      6.53                
 10 AIB  QB2    12 GLN  HN      5.54                
 10 AIB  QB2    13 AIB  HN      5.88                
# 11 HYP  HB2    12 GLN  HN      3.39  -bad line shape              
 11 HYP  HD23   12 GLN  HN      5.50                
 12 GLN  HN     13 AIB  HN      2.59                
 12 GLN  HN     13 AIB  QB1     5.54                
 12 GLN  HN     13 AIB  QB2     5.81                
 12 GLN  HN     14 HYP  HD22    3.98                
 12 GLN  HN     14 HYP  HD23    5.50                
 12 GLN  HA     13 AIB  HN      3.48                
 12 GLN  HA     14 HYP  HD22    4.20                
 12 GLN  HA     14 HYP  HD23    5.27 #+0.2 spin diffusion               
 12 GLN  HA     15 AIB  HN      4.11                
 12 GLN  HA     15 AIB  QB1     5.72                
 12 GLN  QB     15 AIB  HN      5.79                
 12 GLN  HG2    13 AIB  HN      5.50                
 12 GLN  HG2    15 AIB  HN      5.50 #?                
 12 GLN  HG2    15 AIB  QB1     4.36                
 12 GLN  HG3    13 AIB  HN      5.50                
# 12 GLN  HG3    15 AIB  QB1     4.76  -spin diffusion
 13 AIB  HN     13 AIB  QB1     3.58                
 13 AIB  HN     14 HYP  HD22    3.86                
 13 AIB  HN     14 HYP  HD23    3.33                
 13 AIB  QB1    14 HYP  HG      6.53                
 13 AIB  QB1    14 HYP  HD22    4.05                
 13 AIB  QB1    14 HYP  HD23    3.64                
 13 AIB  QB1    17 PHE  QD      8.65                
 13 AIB  QB2    15 AIB  HN      6.53                
 14 HYP  HB2    15 AIB  HN      3.42                
 14 HYP  HD22   15 AIB  HN      3.67                
 14 HYP  HD22   15 AIB  QB1     6.53                
 14 HYP  HD23   15 AIB  HN      5.50                
 15 AIB  HN     15 AIB  QB1     3.43                
 15 AIB  HN     16 PRO  HD2     3.08                
 15 AIB  HN     16 PRO  HD3     3.05                
 15 AIB  QB1    16 PRO  HA      5.35                
 15 AIB  QB1    16 PRO  HD2     4.20                
 15 AIB  QB1    16 PRO  HD3     3.61                
 15 AIB  QB1    17 PHE  QD      8.65                
 15 AIB  QB2    17 PHE  HN      5.13                
 16 PRO  HA     17 PHE  HN      3.45                
 16 PRO  HB2    17 PHE  HN      3.58                
 16 PRO  HB2    17 PHE  HA      5.50                
 16 PRO  HB2    17 PHE  QD      7.62                
 16 PRO  HB2    17 PHE  QE      7.62                
 16 PRO  HB3    17 PHE  QD      7.62                
 16 PRO  HB3    17 PHE  QE      7.62                
 16 PRO  HG2    17 PHE  QD      7.62                
 16 PRO  HG2    17 PHE  QE      7.62                
 16 PRO  HG3    17 PHE  HN      5.50                
 16 PRO  HG3    17 PHE  QD      7.62                
 16 PRO  HG3    17 PHE  QE      7.06                
 16 PRO  HD2    17 PHE  HN      3.55                
 16 PRO  HD2    17 PHE  QD      6.35                
 16 PRO  HD2    17 PHE  QE      7.47                
 16 PRO  HD3    17 PHE  QE      7.62  
#from 50              
 17 PHE  HN     17 PHE  HB2     2.65   # peak     97 new calibration
 17 PHE  HN     17 PHE  HB3     3.98   # peak     98
 17 PHE  HA     17 PHE  HB2     3.17   # peak    160
 17 PHE  HA     17 PHE  HB3     2.49   # peak    161
# 17 PHE  HN     17 PHE  HB2     2.52 #from 50 old calibration         
# 17 PHE  HN     17 PHE  HB3     3.79                
# 17 PHE  HA     17 PHE  HB2     3.05                
# 17 PHE  HA     17 PHE  HB3     2.50 #+0.1               
#from 50
 12 GLN  HN     12 GLN  QB      3.65                
# 12 GLN  HN     12 GLN  HG2     3.73  - spin diffusion              
 12 GLN  HN     12 GLN  HG3     2.77                
 12 GLN  HA     12 GLN  HG2     2.62                
# 12 GLN  HA     12 GLN  HG3     2.90  - spin diffusion              
#from 50
  9 LEU  HN      9 LEU  HB2     2.46   # peak    416
  9 LEU  HA      9 LEU  HB2     3.05   # peak    209
  9 LEU  HA      9 LEU  HB3     2.59   # peak    208
  
  
#Upl restraints for hydrogen bonds
#HN5 alpha
  1 GLY 
         O       5 IVA  HN      2.30
         C       5 IVA  HN      3.52
         O       5 IVA  N       3.30
#HN6 alpha
  2 TRP
      O       6 ILE  HN      2.30
         C       6 ILE  HN      3.52
      O       6 ILE  N       3.30
#HN7 alpha
  3 ILE
      O       7 THR  HN      2.30
         C       7 THR  HN      3.52
      O       7 THR  N       3.30
#HN8 alpha
  4 GLN
        O       8 AIB  HN      2.30
         C       8 AIB  HN      3.52
        O       8 AIB  N       3.30
#HN9 alpha
  5 IVA
        O       9 LEU  HN      2.30
         C       9 LEU  HN      3.52
        O       9 LEU  N       3.30
#HN10
#3-10 not bifurcated
  7 THR 
         O      10 AIB  HN      2.40
         C      10 AIB  HN      3.52
         O      10 AIB  N       3.39
#HN12
#3-10 not bifurcated
  9 LEU 
         O      12 GLN  HN      2.40
         C      12 GLN  HN      3.52
         O      12 GLN  N       3.39
#HN13
#3-10 not bifurcated
 10 AIB 
         O      13 AIB  HN      2.40
         C      13 AIB  HN      3.52
         O      13 AIB  N       3.39
#HN15 alpha
 11 HYP
        O      15 AIB  HN      2.30
         C      15 AIB  HN      3.52
        O      15 AIB  N       3.30
#HN17 alpha
 13 AIB
        O      17 PHE  HN      2.30
         C      17 PHE  HN      3.52
        O      17 PHE  N       3.30

#Lol restraints for hydrogen bonds
#Recomended constraint for restriction 5->1 bonds:
#min_H-O 1.80  max_H-O 2.30  min_N-O 2.56  max_N-O 3.30  min_H-C 2.64  max_H-C 3.52
#Recomended constraint for restriction 4->1 bonds:
#min_H-O 1.90  max_H-O 2.40  min_N-O 2.66  max_N-O 3.39  min_H-C 2.26  max_H-C 3.52
#Recomended constraint for restriction bifurcated 4->1 bonds:
#min_H-O 1.90  max_H-O 2.50  min_N-O 2.43  max_N-O 3.49  min_H-C 2.26  max_H-C 3.62

#HN5 alpa
  1 GLY
         O       5 IVA  HN      1.80
         C       5 IVA  HN      2.64
         O       5 IVA  N       2.56
#HN6 alpha
  2 TRP
  O       6 ILE  HN      1.80
         C       6 ILE  HN      2.64
  O       6 ILE  N       2.56
#HN7 alpha
  3 ILE
  O       7 THR  HN      1.80
         C       7 THR  HN      2.64
  O       7 THR  N       2.56
#HN8 alpha
  4 GLN
  O       8 AIB  HN      1.80
         C       8 AIB  HN      2.64
  O       8 AIB  N       2.56
#HN9 alpha
  5 IVA
  O       9 LEU  HN      1.80
         C       9 LEU  HN      2.64
  O       9 LEU  N       2.56
#HN10
#3-10 not bifurcated
  7 THR 
         O      10 AIB  HN      1.90
         C      10 AIB  HN      2.26
         O      10 AIB  N       2.66
#HN12
#3-10 not bifurcated
  9 LEU 
         O      12 GLN  HN      1.90
         C      12 GLN  HN      2.26
         O      12 GLN  N       2.66
#HN13
#3-10 not bifurcated
 10 AIB 
         O      13 AIB  HN      1.90
         C      13 AIB  HN      2.26
         O      13 AIB  N       2.66
#HN15 alpha
 11 HYP
  O      15 AIB  HN      1.80
         C      15 AIB  HN      2.64
  O      15 AIB  N       2.56
#HN17 alpha
 13 AIB
  O      17 PHE  HN      1.80
         C      17 PHE  HN      2.64
  O      17 PHE  N       2.56
  
#Lol restraints, for peaks expexted but not presented in spectra
  2 TRP  HE3     2 TRP  HN      3.00  
  3 ILE  HB      4 GLN  HE21    3.00  
  3 ILE  HG12    2 TRP  HB3     3.00  
  3 ILE  HG13    2 TRP  HB3     3.00  
 16 PRO  HB2    17 PHE  HZ      3.00  
  4 GLN  HA      4 GLN  HE21    3.00  
  4 GLN  HB2     4 GLN  HE21    3.00  
  4 GLN  HB3     4 GLN  HE21    3.00  
  4 GLN  HE22    4 GLN  HN      3.00  
  4 GLN  HE21    4 GLN  HN      3.00  
  5 IVA  HB12    9 LEU  HN      3.00  
  5 IVA  QB2     2 TRP  HZ3     3.00  
  9 LEU  HA     12 GLN  HE22    3.00  
  9 LEU  HB2    12 GLN  HE22    3.00  
  9 LEU  HB3    12 GLN  HE22    3.00  
  9 LEU  HG      5 IVA  HB12    3.00  
  9 LEU  HG     12 GLN  HE22    3.00  
  9 LEU  QD1    12 GLN  HE22    3.00  
  9 LEU  QD1    12 GLN  HE21    3.00  
 12 GLN  HB2    12 GLN  HE22    3.00  
 12 GLN  HB2    12 GLN  HE21    3.00  
 12 GLN  HB3    12 GLN  HE21    3.00  
 12 GLN  HB3    12 GLN  HE22    3.00  
 12 GLN  HG2    12 GLN  HE22    3.00  
 12 GLN  HB3    16 PRO  HD3     3.00  
 12 GLN  HB2    16 PRO  HD3     3.00  
 12 GLN  HG2    16 PRO  HD3     3.00  
 12 GLN  HG3    16 PRO  HD3     3.00  
  1 GLY  QA      4 GLN  HE22    3.00  

#digedral angle restraints (.aco), acount for free rotation
   2 TRP   PHI     -90.0   -40.0
#   2 TRP   CHI1     30.0    90.0
#   3 ILE   CHI1    -90.0   -30.0
#   4 GLN   CHI1    -90.0   -30.0
#   6 ILE   CHI1    -90.0   -30.0
#   7 THR   CHI1    -90.0   -30.0
   9 LEU   CHI1    -90.0   -30.0
   3 ILE   PHI     -90.0   -40.0
   4 GLN   PHI     -90.0   -40.0
   6 ILE   PHI     -90.0   -40.0
   7 THR   PHI     -90.0   -40.0
   9 LEU   PHI    -100.0   -60.0
  12 GLN   PHI    -160.0   -80.0
  17 PHE   PHI    -160.0   -90.0
  17 PHE   CHI1    -90.0   -30.0
  12 GLN   CHI1    -90.0   -30.0
  
  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   1          H1        ACE   1 -13.576  -2.423  -1.275
    2   2H    ACE   1          H2        ACE   1 -12.258  -3.435  -1.921
    3   3H    ACE   1          H3        ACE   1 -12.473  -3.283  -0.160
    4    H    TRP   2           H        TRP   2 -12.910  -0.566   0.037
    5    HA   TRP   2           HA       TRP   2 -10.567   0.974  -1.008
    6   1HB   TRP   2          1HB       TRP   2 -12.761   2.050  -0.492
    7   2HB   TRP   2          2HB       TRP   2 -12.588   1.675   1.207
    8    HD1  TRP   2           HD1      TRP   2 -11.115   4.042  -1.562
    9    HE1  TRP   2           HE1      TRP   2  -9.908   6.129  -0.479
   10    HE3  TRP   2           HE3      TRP   2 -11.420   2.436   3.272
   11    HZ2  TRP   2           HZ2      TRP   2  -9.239   6.817   2.219
   12    HZ3  TRP   2           HZ3      TRP   2 -10.485   3.852   5.067
   13    HH2  TRP   2           HH2      TRP   2  -9.406   6.004   4.549
   14    H    ILE   3           H        ILE   3 -11.348  -0.566   2.126
   15    HA   ILE   3           HA       ILE   3  -8.613  -0.134   3.225
   16    HB   ILE   3           HB       ILE   3  -9.109  -1.925   4.916
   17   1HG1  ILE   3          1HG1      ILE   3 -12.080  -1.889   4.163
   18   2HG1  ILE   3          2HG1      ILE   3 -11.027  -3.026   3.358
   19   1HG2  ILE   3          1HG2      ILE   3 -11.132   0.386   4.892
   20   2HG2  ILE   3          2HG2      ILE   3 -10.631  -0.564   6.312
   21   3HG2  ILE   3          3HG2      ILE   3  -9.449   0.455   5.468
   22   1HD1  ILE   3          1HD1      ILE   3 -11.343  -2.920   6.424
   23   2HD1  ILE   3          2HD1      ILE   3 -12.103  -4.090   5.317
   24   3HD1  ILE   3          3HD1      ILE   3 -10.334  -4.074   5.507
   25    H    GLN   4           H        GLN   4  -9.978  -2.714   1.253
   26    HA   GLN   4           HA       GLN   4  -7.593  -4.435   1.378
   27   1HB   GLN   4          1HB       GLN   4 -10.113  -4.849   0.335
   28   2HB   GLN   4          2HB       GLN   4  -9.333  -4.362  -1.141
   29   1HG   GLN   4          1HG       GLN   4  -9.238  -6.750  -1.040
   30   2HG   GLN   4          2HG       GLN   4  -7.589  -6.212  -0.762
   31   1HE2  GLN   4          1HE2      GLN   4  -7.974  -8.821   1.784
   32   2HE2  GLN   4          2HE2      GLN   4  -7.605  -8.539   0.010
   33   2HN   DIV   5          HN        DIV   5  -8.416  -1.682  -0.715
   34   1HB1  DIV   5          1HB1      DIV   5  -5.333  -1.496  -3.485
   35   2HB1  DIV   5          2HB1      DIV   5  -5.606  -2.971  -2.671
   36   1HG1  DIV   5          1HG1      DIV   5  -7.563  -1.668  -4.659
   37   2HG1  DIV   5          2HG1      DIV   5  -6.603  -3.143  -4.876
   38   3HG1  DIV   5          3HG1      DIV   5  -7.944  -3.124  -3.700
   39   1HB2  DIV   5          1HB2      DIV   5  -7.894   0.609  -1.538
   40   2HB2  DIV   5          2HB2      DIV   5  -6.917   0.644  -3.017
   41   3HB2  DIV   5          3HB2      DIV   5  -8.371  -0.369  -2.922
   42    H    ILE   6           H        ILE   6  -6.679   0.185   0.377
   43    HA   ILE   6           HA       ILE   6  -3.885   1.158   0.439
   44    HB   ILE   6           HB       ILE   6  -5.989   1.213   2.662
   45   1HG1  ILE   6          1HG1      ILE   6  -5.017   3.531   0.853
   46   2HG1  ILE   6          2HG1      ILE   6  -6.442   2.589   0.487
   47   1HG2  ILE   6          1HG2      ILE   6  -3.245   2.654   2.589
   48   2HG2  ILE   6          2HG2      ILE   6  -4.539   3.001   3.763
   49   3HG2  ILE   6          3HG2      ILE   6  -3.775   1.419   3.757
   50   1HD1  ILE   6          1HD1      ILE   6  -6.164   4.338   2.999
   51   2HD1  ILE   6          2HD1      ILE   6  -7.129   4.660   1.550
   52   3HD1  ILE   6          3HD1      ILE   6  -7.562   3.301   2.611
   53    H    THR   7           H        THR   7  -5.318  -1.825   1.662
   54    HA   THR   7           HA       THR   7  -2.929  -2.618   3.214
   55    HB   THR   7           HB       THR   7  -5.257  -4.319   2.214
   56    HG1  THR   7           HG1      THR   7  -5.576  -2.651   3.793
   57   1HG2  THR   7          1HG2      THR   7  -4.562  -5.982   3.980
   58   2HG2  THR   7          2HG2      THR   7  -3.394  -5.899   2.642
   59   3HG2  THR   7          3HG2      THR   7  -3.022  -5.110   4.201
   60   2HN   AIB   8          HN        AIB   8  -3.943  -3.411  -0.131
   61   1HB1  AIB   8          1HB1      AIB   8  -3.352  -3.063  -2.594
   62   2HB1  AIB   8          2HB1      AIB   8  -2.283  -4.294  -3.277
   63   3HB1  AIB   8          3HB1      AIB   8  -3.701  -4.784  -2.327
   64   1HB2  AIB   8          1HB2      AIB   8  -2.184  -6.208  -0.789
   65   2HB2  AIB   8          2HB2      AIB   8  -0.778  -5.725  -1.766
   66   3HB2  AIB   8          3HB2      AIB   8  -0.761  -5.481  -0.016
   67    H    LEU   9           H        LEU   9  -2.200  -1.483  -0.870
   68    HA   LEU   9           HA       LEU   9   0.486  -0.695  -2.010
   69   1HB   LEU   9          1HB       LEU   9  -1.999   0.858  -1.156
   70   2HB   LEU   9          2HB       LEU   9  -0.518   1.670  -1.569
   71    HG   LEU   9           HG       LEU   9  -1.690  -0.346  -3.559
   72   1HD1  LEU   9          1HD1      LEU   9  -2.575   2.593  -3.372
   73   2HD1  LEU   9          2HD1      LEU   9  -2.927   1.470  -4.712
   74   3HD1  LEU   9          3HD1      LEU   9  -3.590   1.153  -3.102
   75   1HD2  LEU   9          1HD2      LEU   9   0.651   0.521  -3.967
   76   2HD2  LEU   9          2HD2      LEU   9  -0.470   1.033  -5.242
   77   3HD2  LEU   9          3HD2      LEU   9   0.030   2.185  -3.974
   78   2HN   AIB  10          HN        AIB  10  -0.575  -1.408   1.175
   79   1HB1  AIB  10          1HB1      AIB  10  -0.041  -2.406   3.386
   80   2HB1  AIB  10          2HB1      AIB  10   0.726  -1.380   4.608
   81   3HB1  AIB  10          3HB1      AIB  10  -0.802  -0.891   3.858
   82   1HB2  AIB  10          1HB2      AIB  10  -0.083   1.306   3.028
   83   2HB2  AIB  10          2HB2      AIB  10   1.393   1.042   3.989
   84   3HB2  AIB  10          3HB2      AIB  10   1.512   1.548   2.300
   85    HA   HYP  11           HA       HYP  11   4.834  -2.632   2.329
   86   1HB   HYP  11          1HB       HYP  11   4.714  -4.771   0.574
   87   2HB   HYP  11          2HB       HYP  11   4.278  -4.855   2.282
   88   1HD   HYP  11          1HD       HYP  11   0.909  -3.245   1.208
   89   2HD   HYP  11          2HD       HYP  11   1.500  -3.921   2.763
   90    HOD  HYP  11           HD1      HYP  11   1.296  -5.822   1.787
   91    HG   HYP  11           HG       HYP  11   2.400  -4.480  -0.107
   92    H    GLN  12           H        GLN  12   3.033  -1.116  -0.194
   93    HA   GLN  12           HA       GLN  12   5.543  -0.756  -1.842
   94   1HB   GLN  12          1HB       GLN  12   2.693   0.127  -2.620
   95   2HB   GLN  12          2HB       GLN  12   4.143   0.226  -3.596
   96   1HG   GLN  12          1HG       GLN  12   4.280  -2.361  -3.500
   97   2HG   GLN  12          2HG       GLN  12   2.708  -2.322  -2.694
   98   1HE2  GLN  12          1HE2      GLN  12   1.084  -2.183  -5.911
   99   2HE2  GLN  12          2HE2      GLN  12   1.082  -2.720  -4.147
  100   2HN   AIB  13          HN        AIB  13   4.476   0.598   0.795
  101   1HB1  AIB  13          1HB1      AIB  13   4.411   1.957   2.729
  102   2HB1  AIB  13          2HB1      AIB  13   5.459   3.380   2.917
  103   3HB1  AIB  13          3HB1      AIB  13   3.937   3.460   2.006
  104   1HB2  AIB  13          1HB2      AIB  13   4.552   4.096  -0.197
  105   2HB2  AIB  13          2HB2      AIB  13   6.011   4.644   0.676
  106   3HB2  AIB  13          3HB2      AIB  13   6.171   3.745  -0.830
  107    HA   HYP  14           HA       HYP  14   9.434   1.180   2.418
  108   1HB   HYP  14          1HB       HYP  14   9.302  -1.601   3.014
  109   2HB   HYP  14          2HB       HYP  14   9.151  -0.241   4.140
  110   1HD   HYP  14          1HD       HYP  14   5.792  -0.479   1.915
  111   2HD   HYP  14          2HD       HYP  14   5.835   0.618   3.285
  112    HOD  HYP  14           HD1      HYP  14   7.105  -0.087   5.088
  113    HG   HYP  14           HG       HYP  14   7.034  -2.038   3.029
  114   2HN   AIB  15          HN        AIB  15   7.821  -0.959  -0.030
  115   1HB1  AIB  15          1HB1      AIB  15   7.516  -1.867  -2.351
  116   2HB1  AIB  15          2HB1      AIB  15   8.791  -2.918  -2.981
  117   3HB1  AIB  15          3HB1      AIB  15   7.988  -3.297  -1.440
  118   1HB2  AIB  15          1HB2      AIB  15  10.090  -3.424  -0.095
  119   2HB2  AIB  15          2HB2      AIB  15  10.926  -3.289  -1.668
  120   3HB2  AIB  15          3HB2      AIB  15  11.383  -2.231  -0.328
  121    HA   PRO  16           HA       PRO  16  10.937   1.352  -4.023
  122   1HB   PRO  16          1HB       PRO  16   9.432   3.688  -3.880
  123   2HB   PRO  16          2HB       PRO  16   9.053   2.331  -4.947
  124   1HG   PRO  16          1HG       PRO  16   7.789   3.066  -2.307
  125   2HG   PRO  16          2HG       PRO  16   7.017   2.369  -3.742
  126   1HD   PRO  16          1HD       PRO  16   7.851   0.970  -1.401
  127   2HD   PRO  16          2HD       PRO  16   7.433   0.157  -2.892
  128    H1   PHL  17           H1       PHL  17  11.251   2.314   1.773
  129    H2   PHL  17           H2       PHL  17  12.524   3.523   1.944
  130    HO   PHL  17           HO       PHL  17  13.390   1.489   1.761
  131    HA   PHL  17           HA       PHL  17  12.485   3.971  -0.500
  132   2HN   PHL  17          2HN       PHL  17  10.006   2.120  -0.730
  133   1HB   PHL  17          1HB       PHL  17   9.764   4.247   0.873
  134   2HB   PHL  17          2HB       PHL  17  11.118   5.348   1.066
  135    HD1  PHL  17           HD1      PHL  17   8.045   5.141  -0.496
  136    HD2  PHL  17           HD2      PHL  17  12.103   6.140  -1.503
  137    HE1  PHL  17           HE1      PHL  17   7.253   6.435  -2.429
  138    HE2  PHL  17           HE2      PHL  17  11.295   7.438  -3.429
  139    HZ   PHL  17           HZ       PHL  17   8.873   7.599  -3.892
  Start of MODEL    2
    1   1H    ACE   1          H1        ACE   1 -13.910  -1.824  -1.236
    2   2H    ACE   1          H2        ACE   1 -12.860  -2.919  -2.169
    3   3H    ACE   1          H3        ACE   1 -12.985  -3.102  -0.402
    4    H    TRP   2           H        TRP   2 -12.950  -0.134  -0.084
    5    HA   TRP   2           HA       TRP   2 -10.242   0.788  -0.937
    6   1HB   TRP   2          1HB       TRP   2 -12.277   2.070   0.974
    7   2HB   TRP   2          2HB       TRP   2 -10.684   2.739   0.732
    8    HD1  TRP   2           HD1      TRP   2 -14.080   3.041  -0.736
    9    HE1  TRP   2           HE1      TRP   2 -14.088   4.463  -2.962
   10    HE3  TRP   2           HE3      TRP   2  -9.033   2.898  -1.536
   11    HZ2  TRP   2           HZ2      TRP   2 -12.014   5.355  -4.721
   12    HZ3  TRP   2           HZ3      TRP   2  -8.103   4.066  -3.506
   13    HH2  TRP   2           HH2      TRP   2  -9.568   5.273  -5.073
   14    H    ILE   3           H        ILE   3 -11.312  -0.959   1.925
   15    HA   ILE   3           HA       ILE   3  -8.752  -0.365   3.345
   16    HB   ILE   3           HB       ILE   3 -10.740  -2.556   4.199
   17   1HG1  ILE   3          1HG1      ILE   3 -11.295  -0.752   6.115
   18   2HG1  ILE   3          2HG1      ILE   3 -10.776   0.431   4.938
   19   1HG2  ILE   3          1HG2      ILE   3  -8.541  -1.137   5.835
   20   2HG2  ILE   3          2HG2      ILE   3  -9.673  -2.371   6.446
   21   3HG2  ILE   3          3HG2      ILE   3  -8.476  -2.808   5.226
   22   1HD1  ILE   3          1HD1      ILE   3 -13.053  -1.651   4.563
   23   2HD1  ILE   3          2HD1      ILE   3 -13.269   0.060   4.994
   24   3HD1  ILE   3          3HD1      ILE   3 -12.649  -0.371   3.388
   25    H    GLN   4           H        GLN   4  -9.962  -3.191   1.513
   26    HA   GLN   4           HA       GLN   4  -7.398  -4.633   1.614
   27   1HB   GLN   4          1HB       GLN   4  -8.061  -5.905  -0.312
   28   2HB   GLN   4          2HB       GLN   4  -9.300  -5.885   0.908
   29   1HG   GLN   4          1HG       GLN   4 -10.686  -4.304  -0.443
   30   2HG   GLN   4          2HG       GLN   4  -9.428  -4.199  -1.672
   31   1HE2  GLN   4          1HE2      GLN   4 -12.027  -6.786  -2.703
   32   2HE2  GLN   4          2HE2      GLN   4 -12.096  -5.044  -2.132
   33   2HN   DIV   5          HN        DIV   5  -8.512  -2.078  -0.542
   34   1HB1  DIV   5          1HB1      DIV   5  -5.479  -1.678  -3.344
   35   2HB1  DIV   5          2HB1      DIV   5  -5.637  -3.141  -2.484
   36   1HG1  DIV   5          1HG1      DIV   5  -7.755  -2.023  -4.426
   37   2HG1  DIV   5          2HG1      DIV   5  -6.677  -3.415  -4.657
   38   3HG1  DIV   5          3HG1      DIV   5  -7.971  -3.487  -3.431
   39   1HB2  DIV   5          1HB2      DIV   5  -8.065   0.341  -1.355
   40   2HB2  DIV   5          2HB2      DIV   5  -7.151   0.385  -2.868
   41   3HB2  DIV   5          3HB2      DIV   5  -8.554  -0.686  -2.700
   42    H    ILE   6           H        ILE   6  -6.784   0.102   0.455
   43    HA   ILE   6           HA       ILE   6  -4.042   1.185   0.467
   44    HB   ILE   6           HB       ILE   6  -6.170   1.135   2.667
   45   1HG1  ILE   6          1HG1      ILE   6  -6.987   2.446   0.782
   46   2HG1  ILE   6          2HG1      ILE   6  -6.637   3.490   2.131
   47   1HG2  ILE   6          1HG2      ILE   6  -3.560   2.772   2.688
   48   2HG2  ILE   6          2HG2      ILE   6  -4.946   3.052   3.772
   49   3HG2  ILE   6          3HG2      ILE   6  -4.061   1.523   3.849
   50   1HD1  ILE   6          1HD1      ILE   6  -4.902   3.197  -0.418
   51   2HD1  ILE   6          2HD1      ILE   6  -5.959   4.559   0.011
   52   3HD1  ILE   6          3HD1      ILE   6  -4.488   4.255   0.961
   53    H    THR   7           H        THR   7  -5.265  -1.832   1.743
   54    HA   THR   7           HA       THR   7  -2.839  -2.402   3.383
   55    HB   THR   7           HB       THR   7  -5.126  -4.253   2.557
   56    HG1  THR   7           HG1      THR   7  -5.346  -2.363   4.022
   57   1HG2  THR   7          1HG2      THR   7  -4.353  -5.730   4.444
   58   2HG2  THR   7          2HG2      THR   7  -3.147  -5.672   3.141
   59   3HG2  THR   7          3HG2      THR   7  -2.888  -4.739   4.639
   60   2HN   AIB   8          HN        AIB   8  -3.865  -3.304   0.073
   61   1HB1  AIB   8          1HB1      AIB   8  -3.314  -3.115  -2.400
   62   2HB1  AIB   8          2HB1      AIB   8  -2.232  -4.368  -3.026
   63   3HB1  AIB   8          3HB1      AIB   8  -3.652  -4.826  -2.056
   64   1HB2  AIB   8          1HB2      AIB   8  -2.114  -6.177  -0.476
   65   2HB2  AIB   8          2HB2      AIB   8  -0.736  -5.716  -1.499
   66   3HB2  AIB   8          3HB2      AIB   8  -0.679  -5.415   0.242
   67    H    LEU   9           H        LEU   9  -2.198  -1.474  -0.716
   68    HA   LEU   9           HA       LEU   9   0.455  -0.639  -1.878
   69   1HB   LEU   9          1HB       LEU   9  -2.018   0.877  -0.919
   70   2HB   LEU   9          2HB       LEU   9  -0.566   1.709  -1.404
   71    HG   LEU   9           HG       LEU   9  -1.805  -0.323  -3.344
   72   1HD1  LEU   9          1HD1      LEU   9  -2.735   2.602  -3.121
   73   2HD1  LEU   9          2HD1      LEU   9  -3.173   1.436  -4.399
   74   3HD1  LEU   9          3HD1      LEU   9  -3.698   1.156  -2.731
   75   1HD2  LEU   9          1HD2      LEU   9   0.492   0.612  -3.869
   76   2HD2  LEU   9          2HD2      LEU   9  -0.714   1.091  -5.079
   77   3HD2  LEU   9          3HD2      LEU   9  -0.177   2.258  -3.843
   78   2HN   AIB  10          HN        AIB  10  -0.562  -1.361   1.337
   79   1HB1  AIB  10          1HB1      AIB  10   0.069  -2.386   3.553
   80   2HB1  AIB  10          2HB1      AIB  10   0.802  -1.314   4.748
   81   3HB1  AIB  10          3HB1      AIB  10  -0.742  -0.888   3.987
   82   1HB2  AIB  10          1HB2      AIB  10  -0.028   1.329   3.201
   83   2HB2  AIB  10          2HB2      AIB  10   1.488   1.072   4.104
   84   3HB2  AIB  10          3HB2      AIB  10   1.539   1.590   2.414
   85    HA   HYP  11           HA       HYP  11   4.894  -2.573   2.370
   86   1HB   HYP  11          1HB       HYP  11   4.771  -4.735   0.656
   87   2HB   HYP  11          2HB       HYP  11   4.331  -4.795   2.371
   88   1HD   HYP  11          1HD       HYP  11   0.952  -3.217   1.298
   89   2HD   HYP  11          2HD       HYP  11   1.564  -3.889   2.849
   90    HOD  HYP  11           HD1      HYP  11   1.412  -5.786   1.957
   91    HG   HYP  11           HG       HYP  11   2.450  -4.443  -0.025
   92    H    GLN  12           H        GLN  12   3.033  -1.079  -0.128
   93    HA   GLN  12           HA       GLN  12   5.503  -0.725  -1.835
   94   1HB   GLN  12          1HB       GLN  12   2.642   0.189  -2.530
   95   2HB   GLN  12          2HB       GLN  12   4.066   0.277  -3.552
   96   1HG   GLN  12          1HG       GLN  12   4.181  -2.314  -3.461
   97   2HG   GLN  12          2HG       GLN  12   2.628  -2.259  -2.628
   98   1HE2  GLN  12          1HE2      GLN  12   0.962  -2.109  -5.833
   99   2HE2  GLN  12          2HE2      GLN  12   0.960  -2.627  -4.071
  100   2HN   AIB  13          HN        AIB  13   4.527   0.629   0.843
  101   1HB1  AIB  13          1HB1      AIB  13   4.550   1.978   2.807
  102   2HB1  AIB  13          2HB1      AIB  13   5.573   3.425   2.934
  103   3HB1  AIB  13          3HB1      AIB  13   4.008   3.460   2.090
  104   1HB2  AIB  13          1HB2      AIB  13   4.536   4.123  -0.119
  105   2HB2  AIB  13          2HB2      AIB  13   6.024   4.687   0.702
  106   3HB2  AIB  13          3HB2      AIB  13   6.135   3.803  -0.821
  107    HA   HYP  14           HA       HYP  14   9.545   1.228   2.273
  108   1HB   HYP  14          1HB       HYP  14   9.457  -1.552   2.883
  109   2HB   HYP  14          2HB       HYP  14   9.341  -0.186   4.004
  110   1HD   HYP  14          1HD       HYP  14   5.896  -0.461   1.922
  111   2HD   HYP  14          2HD       HYP  14   5.975   0.633   3.282
  112    HOD  HYP  14           HD1      HYP  14   7.380  -0.029   5.037
  113    HG   HYP  14           HG       HYP  14   7.187  -2.007   3.010
  114   2HN   AIB  15          HN        AIB  15   7.842  -0.939  -0.097
  115   1HB1  AIB  15          1HB1      AIB  15   7.433  -1.813  -2.413
  116   2HB1  AIB  15          2HB1      AIB  15   8.671  -2.877  -3.095
  117   3HB1  AIB  15          3HB1      AIB  15   7.937  -3.244  -1.518
  118   1HB2  AIB  15          1HB2      AIB  15  10.124  -3.380  -0.277
  119   2HB2  AIB  15          2HB2      AIB  15  10.865  -3.248  -1.894
  120   3HB2  AIB  15          3HB2      AIB  15  11.397  -2.184  -0.588
  121    HA   PRO  16           HA       PRO  16  10.815   1.412  -4.190
  122   1HB   PRO  16          1HB       PRO  16   9.352   3.767  -3.932
  123   2HB   PRO  16          2HB       PRO  16   8.924   2.442  -5.023
  124   1HG   PRO  16          1HG       PRO  16   7.733   3.138  -2.347
  125   2HG   PRO  16          2HG       PRO  16   6.932   2.447  -3.768
  126   1HD   PRO  16          1HD       PRO  16   7.853   1.043  -1.448
  127   2HD   PRO  16          2HD       PRO  16   7.343   0.237  -2.912
  128    H1   PHL  17           H1       PHL  17  12.805   1.951   0.697
  129    H2   PHL  17           H2       PHL  17  11.355   2.346   1.617
  130    HO   PHL  17           HO       PHL  17  13.627   3.113   2.229
  131    HA   PHL  17           HA       PHL  17  12.483   4.000  -0.702
  132   2HN   PHL  17          2HN       PHL  17   9.994   2.163  -0.861
  133   1HB   PHL  17          1HB       PHL  17   9.814   4.271   0.775
  134   2HB   PHL  17          2HB       PHL  17  11.175   5.370   0.924
  135    HD1  PHL  17           HD1      PHL  17  12.071   6.105  -1.712
  136    HD2  PHL  17           HD2      PHL  17   8.045   5.245  -0.476
  137    HE1  PHL  17           HE1      PHL  17  11.202   7.399  -3.616
  138    HE2  PHL  17           HE2      PHL  17   7.190   6.546  -2.378
  139    HZ   PHL  17           HZ       PHL  17   8.763   7.627  -3.952
  Start of MODEL    3
    1   1H    ACE   1          H1        ACE   1 -13.576  -1.686  -2.124
    2   2H    ACE   1          H2        ACE   1 -12.393  -2.955  -2.524
    3   3H    ACE   1          H3        ACE   1 -13.087  -2.880  -0.886
    4    H    TRP   2           H        TRP   2 -12.913  -0.252  -0.283
    5    HA   TRP   2           HA       TRP   2 -10.272   0.959  -0.893
    6   1HB   TRP   2          1HB       TRP   2 -12.349   1.837   1.198
    7   2HB   TRP   2          2HB       TRP   2 -10.875   2.703   0.849
    8    HD1  TRP   2           HD1      TRP   2 -14.340   1.954  -0.739
    9    HE1  TRP   2           HE1      TRP   2 -14.858   3.626  -2.716
   10    HE3  TRP   2           HE3      TRP   2  -9.697   4.084  -0.929
   11    HZ2  TRP   2           HZ2      TRP   2 -13.304   5.629  -4.041
   12    HZ3  TRP   2           HZ3      TRP   2  -9.282   5.894  -2.563
   13    HH2  TRP   2           HH2      TRP   2 -11.054   6.651  -4.093
   14    H    ILE   3           H        ILE   3 -11.377  -0.938   1.955
   15    HA   ILE   3           HA       ILE   3  -8.820  -0.387   3.361
   16    HB   ILE   3           HB       ILE   3 -10.803  -2.567   4.205
   17   1HG1  ILE   3          1HG1      ILE   3 -11.250  -0.578   6.100
   18   2HG1  ILE   3          2HG1      ILE   3 -10.913   0.443   4.726
   19   1HG2  ILE   3          1HG2      ILE   3  -8.608  -1.155   5.843
   20   2HG2  ILE   3          2HG2      ILE   3  -9.778  -2.347   6.466
   21   3HG2  ILE   3          3HG2      ILE   3  -8.577  -2.840   5.268
   22   1HD1  ILE   3          1HD1      ILE   3 -13.091  -1.756   4.923
   23   2HD1  ILE   3          2HD1      ILE   3 -13.354   0.001   4.974
   24   3HD1  ILE   3          3HD1      ILE   3 -12.819  -0.770   3.461
   25    H    GLN   4           H        GLN   4  -9.991  -3.184   1.483
   26    HA   GLN   4           HA       GLN   4  -7.465  -4.696   1.621
   27   1HB   GLN   4          1HB       GLN   4  -8.141  -5.884  -0.381
   28   2HB   GLN   4          2HB       GLN   4  -9.383  -5.865   0.841
   29   1HG   GLN   4          1HG       GLN   4 -10.702  -4.154  -0.465
   30   2HG   GLN   4          2HG       GLN   4  -9.443  -4.096  -1.687
   31   1HE2  GLN   4          1HE2      GLN   4 -12.131  -7.144  -1.907
   32   2HE2  GLN   4          2HE2      GLN   4 -12.251  -5.769  -0.697
   33   2HN   DIV   5          HN        DIV   5  -8.437  -2.058  -0.531
   34   1HB1  DIV   5          1HB1      DIV   5  -5.291  -1.713  -3.214
   35   2HB1  DIV   5          2HB1      DIV   5  -5.501  -3.176  -2.355
   36   1HG1  DIV   5          1HG1      DIV   5  -7.508  -2.027  -4.390
   37   2HG1  DIV   5          2HG1      DIV   5  -6.480  -3.464  -4.544
   38   3HG1  DIV   5          3HG1      DIV   5  -7.831  -3.465  -3.381
   39   1HB2  DIV   5          1HB2      DIV   5  -7.940   0.327  -1.323
   40   2HB2  DIV   5          2HB2      DIV   5  -6.879   0.419  -2.738
   41   3HB2  DIV   5          3HB2      DIV   5  -8.301  -0.635  -2.752
   42    H    ILE   6           H        ILE   6  -6.712   0.021   0.590
   43    HA   ILE   6           HA       ILE   6  -3.968   1.083   0.714
   44    HB   ILE   6           HB       ILE   6  -6.127   0.961   2.873
   45   1HG1  ILE   6          1HG1      ILE   6  -6.910   2.342   1.015
   46   2HG1  ILE   6          2HG1      ILE   6  -6.605   3.320   2.420
   47   1HG2  ILE   6          1HG2      ILE   6  -3.521   2.589   3.001
   48   2HG2  ILE   6          2HG2      ILE   6  -4.927   2.829   4.068
   49   3HG2  ILE   6          3HG2      ILE   6  -4.050   1.295   4.103
   50   1HD1  ILE   6          1HD1      ILE   6  -4.775   3.165  -0.073
   51   2HD1  ILE   6          2HD1      ILE   6  -5.876   4.489   0.364
   52   3HD1  ILE   6          3HD1      ILE   6  -4.443   4.170   1.364
   53    H    THR   7           H        THR   7  -5.266  -1.963   1.916
   54    HA   THR   7           HA       THR   7  -2.853  -2.626   3.518
   55    HB   THR   7           HB       THR   7  -5.108  -4.451   2.566
   56    HG1  THR   7           HG1      THR   7  -5.250  -2.553   4.146
   57   1HG2  THR   7          1HG2      THR   7  -4.405  -5.962   4.452
   58   2HG2  THR   7          2HG2      THR   7  -3.155  -5.887   3.192
   59   3HG2  THR   7          3HG2      THR   7  -2.940  -4.981   4.711
   60   2HN   AIB   8          HN        AIB   8  -3.833  -3.505   0.187
   61   1HB1  AIB   8          1HB1      AIB   8  -3.245  -3.261  -2.306
   62   2HB1  AIB   8          2HB1      AIB   8  -2.152  -4.508  -2.922
   63   3HB1  AIB   8          3HB1      AIB   8  -3.570  -4.975  -1.958
   64   1HB2  AIB   8          1HB2      AIB   8  -1.990  -6.310  -0.392
   65   2HB2  AIB   8          2HB2      AIB   8  -0.618  -5.804  -1.402
   66   3HB2  AIB   8          3HB2      AIB   8  -0.579  -5.515   0.342
   67    H    LEU   9           H        LEU   9  -2.205  -1.606  -0.592
   68    HA   LEU   9           HA       LEU   9   0.403  -0.695  -1.773
   69   1HB   LEU   9          1HB       LEU   9  -2.071   0.756  -0.725
   70   2HB   LEU   9          2HB       LEU   9  -0.650   1.623  -1.235
   71    HG   LEU   9           HG       LEU   9  -1.983  -0.373  -3.154
   72   1HD1  LEU   9          1HD1      LEU   9  -2.734   2.602  -2.923
   73   2HD1  LEU   9          2HD1      LEU   9  -3.293   1.451  -4.168
   74   3HD1  LEU   9          3HD1      LEU   9  -3.777   1.227  -2.478
   75   1HD2  LEU   9          1HD2      LEU   9   0.342   0.453  -3.749
   76   2HD2  LEU   9          2HD2      LEU   9  -0.877   0.993  -4.920
   77   3HD2  LEU   9          3HD2      LEU   9  -0.249   2.127  -3.695
   78   2HN   AIB  10          HN        AIB  10  -0.545  -1.458   1.469
   79   1HB1  AIB  10          1HB1      AIB  10   0.165  -2.515   3.643
   80   2HB1  AIB  10          2HB1      AIB  10   0.918  -1.454   4.834
   81   3HB1  AIB  10          3HB1      AIB  10  -0.650  -1.034   4.124
   82   1HB2  AIB  10          1HB2      AIB  10   0.011   1.204   3.338
   83   2HB2  AIB  10          2HB2      AIB  10   1.549   0.959   4.201
   84   3HB2  AIB  10          3HB2      AIB  10   1.555   1.489   2.517
   85    HA   HYP  11           HA       HYP  11   4.966  -2.613   2.335
   86   1HB   HYP  11          1HB       HYP  11   4.808  -4.748   0.572
   87   2HB   HYP  11          2HB       HYP  11   4.473  -4.846   2.305
   88   1HD   HYP  11          1HD       HYP  11   1.000  -3.324   1.429
   89   2HD   HYP  11          2HD       HYP  11   1.707  -3.980   2.943
   90    HOD  HYP  11           HD1      HYP  11   1.400  -5.931   1.762
   91    HG   HYP  11           HG       HYP  11   2.452  -4.525   0.027
   92    H    GLN  12           H        GLN  12   3.022  -1.112  -0.095
   93    HA   GLN  12           HA       GLN  12   5.453  -0.699  -1.843
   94   1HB   GLN  12          1HB       GLN  12   2.562   0.157  -2.482
   95   2HB   GLN  12          2HB       GLN  12   3.967   0.289  -3.519
   96   1HG   GLN  12          1HG       GLN  12   4.146  -2.291  -3.475
   97   2HG   GLN  12          2HG       GLN  12   2.614  -2.295  -2.596
   98   1HE2  GLN  12          1HE2      GLN  12   0.856  -2.148  -5.747
   99   2HE2  GLN  12          2HE2      GLN  12   0.906  -2.671  -3.981
  100   2HN   AIB  13          HN        AIB  13   4.528   0.599   0.856
  101   1HB1  AIB  13          1HB1      AIB  13   4.540   1.935   2.819
  102   2HB1  AIB  13          2HB1      AIB  13   5.557   3.388   2.960
  103   3HB1  AIB  13          3HB1      AIB  13   3.982   3.429   2.135
  104   1HB2  AIB  13          1HB2      AIB  13   4.465   4.110  -0.084
  105   2HB2  AIB  13          2HB2      AIB  13   5.954   4.685   0.719
  106   3HB2  AIB  13          3HB2      AIB  13   6.058   3.810  -0.811
  107    HA   HYP  14           HA       HYP  14   9.545   1.256   2.207
  108   1HB   HYP  14          1HB       HYP  14   9.497  -1.528   2.799
  109   2HB   HYP  14          2HB       HYP  14   9.366  -0.177   3.938
  110   1HD   HYP  14          1HD       HYP  14   5.891  -0.460   1.902
  111   2HD   HYP  14          2HD       HYP  14   6.010   0.616   3.280
  112    HOD  HYP  14           HD1      HYP  14   7.383  -0.097   4.996
  113    HG   HYP  14           HG       HYP  14   7.239  -2.015   2.909
  114   2HN   AIB  15          HN        AIB  15   7.828  -0.907  -0.151
  115   1HB1  AIB  15          1HB1      AIB  15   7.393  -1.786  -2.456
  116   2HB1  AIB  15          2HB1      AIB  15   8.643  -2.809  -3.177
  117   3HB1  AIB  15          3HB1      AIB  15   7.947  -3.219  -1.594
  118   1HB2  AIB  15          1HB2      AIB  15  10.143  -3.319  -0.383
  119   2HB2  AIB  15          2HB2      AIB  15  10.858  -3.160  -2.011
  120   3HB2  AIB  15          3HB2      AIB  15  11.391  -2.099  -0.702
  121    HA   PRO  16           HA       PRO  16  10.660   1.518  -4.291
  122   1HB   PRO  16          1HB       PRO  16   9.147   3.833  -4.003
  123   2HB   PRO  16          2HB       PRO  16   8.711   2.493  -5.071
  124   1HG   PRO  16          1HG       PRO  16   7.617   3.166  -2.342
  125   2HG   PRO  16          2HG       PRO  16   6.760   2.488  -3.737
  126   1HD   PRO  16          1HD       PRO  16   7.751   1.053  -1.483
  127   2HD   PRO  16          2HD       PRO  16   7.249   0.262  -2.956
  128    H1   PHL  17           H1       PHL  17  12.650   1.947   0.562
  129    H2   PHL  17           H2       PHL  17  11.306   2.507   1.566
  130    HO   PHL  17           HO       PHL  17  13.709   3.922   1.022
  131    HA   PHL  17           HA       PHL  17  12.395   4.086  -0.831
  132   2HN   PHL  17          2HN       PHL  17   9.920   2.231  -0.937
  133   1HB   PHL  17          1HB       PHL  17   9.775   4.313   0.740
  134   2HB   PHL  17          2HB       PHL  17  11.124   5.433   0.843
  135    HD1  PHL  17           HD1      PHL  17  11.866   6.195  -1.870
  136    HD2  PHL  17           HD2      PHL  17   7.941   5.290  -0.370
  137    HE1  PHL  17           HE1      PHL  17  10.857   7.538  -3.671
  138    HE2  PHL  17           HE2      PHL  17   6.947   6.625  -2.177
  139    HZ   PHL  17           HZ       PHL  17   8.400   7.762  -3.823
  Start of MODEL    4
    1   1H    ACE   1          H1        ACE   1 -13.640  -2.348  -1.329
    2   2H    ACE   1          H2        ACE   1 -12.405  -3.449  -1.988
    3   3H    ACE   1          H3        ACE   1 -12.581  -3.269  -0.222
    4    H    TRP   2           H        TRP   2 -12.869  -0.523  -0.090
    5    HA   TRP   2           HA       TRP   2 -10.443   0.787  -1.263
    6   1HB   TRP   2          1HB       TRP   2 -12.849   1.862  -0.740
    7   2HB   TRP   2          2HB       TRP   2 -12.216   2.095   0.869
    8    HD1  TRP   2           HD1      TRP   2 -11.481   2.983  -2.886
    9    HE1  TRP   2           HE1      TRP   2 -10.417   5.387  -3.118
   10    HE3  TRP   2           HE3      TRP   2 -10.895   3.829   2.113
   11    HZ2  TRP   2           HZ2      TRP   2  -9.512   7.313  -1.207
   12    HZ3  TRP   2           HZ3      TRP   2  -9.972   6.001   2.855
   13    HH2  TRP   2           HH2      TRP   2  -9.292   7.712   1.223
   14    H    ILE   3           H        ILE   3 -11.308  -0.526   1.912
   15    HA   ILE   3           HA       ILE   3  -8.589   0.013   3.022
   16    HB   ILE   3           HB       ILE   3 -10.488  -0.181   4.597
   17   1HG1  ILE   3          1HG1      ILE   3  -8.444  -2.428   5.091
   18   2HG1  ILE   3          2HG1      ILE   3  -8.122  -0.720   5.304
   19   1HG2  ILE   3          1HG2      ILE   3 -10.716  -3.180   3.871
   20   2HG2  ILE   3          2HG2      ILE   3 -11.636  -2.324   5.131
   21   3HG2  ILE   3          3HG2      ILE   3 -11.890  -1.924   3.428
   22   1HD1  ILE   3          1HD1      ILE   3 -10.160  -2.350   6.947
   23   2HD1  ILE   3          2HD1      ILE   3  -8.573  -1.756   7.475
   24   3HD1  ILE   3          3HD1      ILE   3  -9.877  -0.595   7.129
   25    H    GLN   4           H        GLN   4 -10.000  -2.596   1.093
   26    HA   GLN   4           HA       GLN   4  -7.659  -4.379   1.348
   27   1HB   GLN   4          1HB       GLN   4 -10.175  -4.644   0.086
   28   2HB   GLN   4          2HB       GLN   4  -9.125  -4.501  -1.297
   29   1HG   GLN   4          1HG       GLN   4  -7.716  -6.418  -0.445
   30   2HG   GLN   4          2HG       GLN   4  -8.660  -6.483   1.032
   31   1HE2  GLN   4          1HE2      GLN   4 -10.045  -8.696  -1.983
   32   2HE2  GLN   4          2HE2      GLN   4  -8.394  -7.896  -1.972
   33   2HN   DIV   5          HN        DIV   5  -8.399  -1.676  -0.853
   34   1HB1  DIV   5          1HB1      DIV   5  -5.056  -1.370  -3.295
   35   2HB1  DIV   5          2HB1      DIV   5  -5.470  -2.882  -2.617
   36   1HG1  DIV   5          1HG1      DIV   5  -7.173  -1.375  -4.700
   37   2HG1  DIV   5          2HG1      DIV   5  -6.203  -2.836  -4.945
   38   3HG1  DIV   5          3HG1      DIV   5  -7.661  -2.904  -3.919
   39   1HB2  DIV   5          1HB2      DIV   5  -7.779   0.672  -1.481
   40   2HB2  DIV   5          2HB2      DIV   5  -6.686   0.780  -2.862
   41   3HB2  DIV   5          3HB2      DIV   5  -8.154  -0.211  -2.951
   42    H    ILE   6           H        ILE   6  -6.765   0.107   0.513
   43    HA   ILE   6           HA       ILE   6  -4.034   1.091   0.815
   44    HB   ILE   6           HB       ILE   6  -6.386   1.868   1.978
   45   1HG1  ILE   6          1HG1      ILE   6  -3.613   2.493   3.150
   46   2HG1  ILE   6          2HG1      ILE   6  -4.220   3.147   1.640
   47   1HG2  ILE   6          1HG2      ILE   6  -4.970   0.667   4.422
   48   2HG2  ILE   6          2HG2      ILE   6  -6.494   1.586   4.370
   49   3HG2  ILE   6          3HG2      ILE   6  -6.411  -0.037   3.673
   50   1HD1  ILE   6          1HD1      ILE   6  -5.410   3.745   4.410
   51   2HD1  ILE   6          2HD1      ILE   6  -4.523   4.843   3.331
   52   3HD1  ILE   6          3HD1      ILE   6  -6.143   4.271   2.868
   53    H    THR   7           H        THR   7  -5.281  -2.000   1.692
   54    HA   THR   7           HA       THR   7  -2.931  -2.748   3.369
   55    HB   THR   7           HB       THR   7  -5.232  -4.456   2.302
   56    HG1  THR   7           HG1      THR   7  -5.524  -2.730   3.893
   57   1HG2  THR   7          1HG2      THR   7  -4.582  -6.116   4.087
   58   2HG2  THR   7          2HG2      THR   7  -3.366  -6.012   2.799
   59   3HG2  THR   7          3HG2      THR   7  -3.067  -5.227   4.372
   60   2HN   AIB   8          HN        AIB   8  -3.907  -3.519   0.006
   61   1HB1  AIB   8          1HB1      AIB   8  -3.305  -3.224  -2.476
   62   2HB1  AIB   8          2HB1      AIB   8  -2.236  -4.481  -3.115
   63   3HB1  AIB   8          3HB1      AIB   8  -3.663  -4.937  -2.158
   64   1HB2  AIB   8          1HB2      AIB   8  -2.121  -6.324  -0.618
   65   2HB2  AIB   8          2HB2      AIB   8  -0.723  -5.833  -1.597
   66   3HB2  AIB   8          3HB2      AIB   8  -0.706  -5.573   0.151
   67    H    LEU   9           H        LEU   9  -2.214  -1.614  -0.715
   68    HA   LEU   9           HA       LEU   9   0.459  -0.766  -1.853
   69   1HB   LEU   9          1HB       LEU   9  -2.041   0.764  -0.988
   70   2HB   LEU   9          2HB       LEU   9  -0.570   1.584  -1.411
   71    HG   LEU   9           HG       LEU   9  -1.721  -0.431  -3.410
   72   1HD1  LEU   9          1HD1      LEU   9  -2.667   2.488  -3.192
   73   2HD1  LEU   9          2HD1      LEU   9  -3.012   1.365  -4.531
   74   3HD1  LEU   9          3HD1      LEU   9  -3.650   1.030  -2.918
   75   1HD2  LEU   9          1HD2      LEU   9   0.596   0.511  -3.818
   76   2HD2  LEU   9          2HD2      LEU   9  -0.547   1.001  -5.083
   77   3HD2  LEU   9          3HD2      LEU   9  -0.076   2.155  -3.808
   78   2HN   AIB  10          HN        AIB  10  -0.605  -1.512   1.334
   79   1HB1  AIB  10          1HB1      AIB  10   0.053  -2.590   3.505
   80   2HB1  AIB  10          2HB1      AIB  10   0.823  -1.571   4.724
   81   3HB1  AIB  10          3HB1      AIB  10  -0.742  -1.114   4.034
   82   1HB2  AIB  10          1HB2      AIB  10  -0.088   1.133   3.272
   83   2HB2  AIB  10          2HB2      AIB  10   1.433   0.869   4.155
   84   3HB2  AIB  10          3HB2      AIB  10   1.468   1.433   2.483
   85    HA   HYP  11           HA       HYP  11   4.874  -2.682   2.295
   86   1HB   HYP  11          1HB       HYP  11   4.756  -4.782   0.492
   87   2HB   HYP  11          2HB       HYP  11   4.359  -4.910   2.208
   88   1HD   HYP  11          1HD       HYP  11   0.932  -3.340   1.240
   89   2HD   HYP  11          2HD       HYP  11   1.573  -4.043   2.762
   90    HOD  HYP  11           HD1      HYP  11   1.376  -5.921   1.738
   91    HG   HYP  11           HG       HYP  11   2.424  -4.519  -0.134
   92    H    GLN  12           H        GLN  12   2.996  -1.158  -0.168
   93    HA   GLN  12           HA       GLN  12   5.468  -0.725  -1.851
   94   1HB   GLN  12          1HB       GLN  12   2.587   0.114  -2.554
   95   2HB   GLN  12          2HB       GLN  12   4.007   0.268  -3.566
   96   1HG   GLN  12          1HG       GLN  12   4.205  -2.320  -3.518
   97   2HG   GLN  12          2HG       GLN  12   2.649  -2.330  -2.683
   98   1HE2  GLN  12          1HE2      GLN  12   0.944  -2.119  -5.861
   99   2HE2  GLN  12          2HE2      GLN  12   0.970  -2.677  -4.108
  100   2HN   AIB  13          HN        AIB  13   4.477   0.551   0.832
  101   1HB1  AIB  13          1HB1      AIB  13   4.432   1.881   2.804
  102   2HB1  AIB  13          2HB1      AIB  13   5.434   3.336   2.971
  103   3HB1  AIB  13          3HB1      AIB  13   3.883   3.370   2.112
  104   1HB2  AIB  13          1HB2      AIB  13   4.428   4.075  -0.086
  105   2HB2  AIB  13          2HB2      AIB  13   5.906   4.635   0.749
  106   3HB2  AIB  13          3HB2      AIB  13   6.031   3.768  -0.783
  107    HA   HYP  14           HA       HYP  14   9.446   1.219   2.330
  108   1HB   HYP  14          1HB       HYP  14   9.407  -1.555   2.909
  109   2HB   HYP  14          2HB       HYP  14   9.222  -0.211   4.048
  110   1HD   HYP  14          1HD       HYP  14   5.816  -0.512   1.903
  111   2HD   HYP  14          2HD       HYP  14   5.893   0.557   3.288
  112    HOD  HYP  14           HD1      HYP  14   7.202  -0.171   5.040
  113    HG   HYP  14           HG       HYP  14   7.152  -2.065   2.926
  114   2HN   AIB  15          HN        AIB  15   7.816  -0.937  -0.083
  115   1HB1  AIB  15          1HB1      AIB  15   7.453  -1.797  -2.406
  116   2HB1  AIB  15          2HB1      AIB  15   8.722  -2.807  -3.105
  117   3HB1  AIB  15          3HB1      AIB  15   7.985  -3.234  -1.544
  118   1HB2  AIB  15          1HB2      AIB  15  10.130  -3.345  -0.277
  119   2HB2  AIB  15          2HB2      AIB  15  10.913  -3.162  -1.872
  120   3HB2  AIB  15          3HB2      AIB  15  11.393  -2.124  -0.526
  121    HA   PRO  16           HA       PRO  16  10.775   1.531  -4.113
  122   1HB   PRO  16          1HB       PRO  16   9.210   3.822  -3.898
  123   2HB   PRO  16          2HB       PRO  16   8.852   2.473  -4.982
  124   1HG   PRO  16          1HG       PRO  16   7.604   3.132  -2.317
  125   2HG   PRO  16          2HG       PRO  16   6.839   2.421  -3.749
  126   1HD   PRO  16          1HD       PRO  16   7.766   1.039  -1.426
  127   2HD   PRO  16          2HD       PRO  16   7.326   0.226  -2.911
  128    H1   PHL  17           H1       PHL  17  11.181   2.389   1.699
  129    H2   PHL  17           H2       PHL  17  12.499   3.541   1.853
  130    HO   PHL  17           HO       PHL  17  12.488   1.276   0.144
  131    HA   PHL  17           HA       PHL  17  12.384   4.079  -0.567
  132   2HN   PHL  17          2HN       PHL  17   9.917   2.206  -0.781
  133   1HB   PHL  17          1HB       PHL  17   9.694   4.298   0.878
  134   2HB   PHL  17          2HB       PHL  17  11.043   5.410   1.059
  135    HD1  PHL  17           HD1      PHL  17  11.928   6.355  -1.455
  136    HD2  PHL  17           HD2      PHL  17   7.934   5.102  -0.491
  137    HE1  PHL  17           HE1      PHL  17  11.045   7.706  -3.316
  138    HE2  PHL  17           HE2      PHL  17   7.066   6.449  -2.354
  139    HZ   PHL  17           HZ       PHL  17   8.614   7.770  -3.757
  Start of MODEL    5
    1   1H    ACE   1          H1        ACE   1 -13.664  -2.529  -1.020
    2   2H    ACE   1          H2        ACE   1 -12.354  -3.500  -1.738
    3   3H    ACE   1          H3        ACE   1 -12.528  -3.421   0.035
    4    H    TRP   2           H        TRP   2 -12.965  -0.720   0.369
    5    HA   TRP   2           HA       TRP   2 -10.742   0.905  -0.817
    6   1HB   TRP   2          1HB       TRP   2 -12.454   1.625   1.633
    7   2HB   TRP   2          2HB       TRP   2 -11.318   2.682   0.832
    8    HD1  TRP   2           HD1      TRP   2 -11.912   3.163  -2.002
    9    HE1  TRP   2           HE1      TRP   2 -14.226   3.907  -3.034
   10    HE3  TRP   2           HE3      TRP   2 -14.824   1.438   1.819
   11    HZ2  TRP   2           HZ2      TRP   2 -16.928   3.730  -2.103
   12    HZ3  TRP   2           HZ3      TRP   2 -17.265   1.794   1.718
   13    HH2  TRP   2           HH2      TRP   2 -18.303   2.924  -0.210
   14    H    ILE   3           H        ILE   3 -11.216  -0.742   2.348
   15    HA   ILE   3           HA       ILE   3  -8.422  -0.081   3.180
   16    HB   ILE   3           HB       ILE   3 -10.218  -2.160   4.541
   17   1HG1  ILE   3          1HG1      ILE   3 -10.145   0.122   6.293
   18   2HG1  ILE   3          2HG1      ILE   3 -10.399   0.840   4.722
   19   1HG2  ILE   3          1HG2      ILE   3  -7.730  -0.720   5.622
   20   2HG2  ILE   3          2HG2      ILE   3  -8.793  -1.793   6.569
   21   3HG2  ILE   3          3HG2      ILE   3  -7.872  -2.450   5.214
   22   1HD1  ILE   3          1HD1      ILE   3 -12.119  -1.411   5.985
   23   2HD1  ILE   3          2HD1      ILE   3 -12.563   0.310   5.866
   24   3HD1  ILE   3          3HD1      ILE   3 -12.434  -0.679   4.384
   25    H    GLN   4           H        GLN   4  -9.924  -2.826   1.469
   26    HA   GLN   4           HA       GLN   4  -7.523  -4.548   1.464
   27   1HB   GLN   4          1HB       GLN   4  -9.793  -4.269  -0.587
   28   2HB   GLN   4          2HB       GLN   4  -8.454  -5.361  -0.841
   29   1HG   GLN   4          1HG       GLN   4 -10.382  -5.536   1.556
   30   2HG   GLN   4          2HG       GLN   4 -10.498  -6.465   0.074
   31   1HE2  GLN   4          1HE2      GLN   4  -8.082  -7.965   2.916
   32   2HE2  GLN   4          2HE2      GLN   4  -9.317  -6.630   3.166
   33   2HN   DIV   5          HN        DIV   5  -8.426  -1.785  -0.688
   34   1HB1  DIV   5          1HB1      DIV   5  -5.245  -1.524  -3.329
   35   2HB1  DIV   5          2HB1      DIV   5  -5.485  -3.013  -2.506
   36   1HG1  DIV   5          1HG1      DIV   5  -7.417  -1.817  -4.579
   37   2HG1  DIV   5          2HG1      DIV   5  -6.365  -3.237  -4.750
   38   3HG1  DIV   5          3HG1      DIV   5  -7.751  -3.299  -3.635
   39   1HB2  DIV   5          1HB2      DIV   5  -7.933   0.486  -1.466
   40   2HB2  DIV   5          2HB2      DIV   5  -6.898   0.557  -2.903
   41   3HB2  DIV   5          3HB2      DIV   5  -8.330  -0.492  -2.878
   42    H    ILE   6           H        ILE   6  -6.787   0.012   0.543
   43    HA   ILE   6           HA       ILE   6  -4.068   1.095   0.646
   44    HB   ILE   6           HB       ILE   6  -6.408   1.852   1.896
   45   1HG1  ILE   6          1HG1      ILE   6  -3.581   2.617   2.840
   46   2HG1  ILE   6          2HG1      ILE   6  -4.328   3.196   1.363
   47   1HG2  ILE   6          1HG2      ILE   6  -4.822   0.839   4.312
   48   2HG2  ILE   6          2HG2      ILE   6  -6.400   1.664   4.278
   49   3HG2  ILE   6          3HG2      ILE   6  -6.242   0.012   3.657
   50   1HD1  ILE   6          1HD1      ILE   6  -5.351   3.826   4.194
   51   2HD1  ILE   6          2HD1      ILE   6  -4.534   4.926   3.063
   52   3HD1  ILE   6          3HD1      ILE   6  -6.166   4.325   2.686
   53    H    THR   7           H        THR   7  -5.189  -1.990   1.565
   54    HA   THR   7           HA       THR   7  -2.843  -2.617   3.321
   55    HB   THR   7           HB       THR   7  -5.200  -4.346   2.406
   56    HG1  THR   7           HG1      THR   7  -5.495  -2.653   3.934
   57   1HG2  THR   7          1HG2      THR   7  -4.507  -5.994   4.164
   58   2HG2  THR   7          2HG2      THR   7  -3.331  -5.932   2.838
   59   3HG2  THR   7          3HG2      THR   7  -2.965  -5.133   4.390
   60   2HN   AIB   8          HN        AIB   8  -3.869  -3.501   0.001
   61   1HB1  AIB   8          1HB1      AIB   8  -3.286  -3.235  -2.480
   62   2HB1  AIB   8          2HB1      AIB   8  -2.224  -4.496  -3.121
   63   3HB1  AIB   8          3HB1      AIB   8  -3.644  -4.944  -2.149
   64   1HB2  AIB   8          1HB2      AIB   8  -2.103  -6.320  -0.592
   65   2HB2  AIB   8          2HB2      AIB   8  -0.700  -5.852  -1.583
   66   3HB2  AIB   8          3HB2      AIB   8  -0.682  -5.568   0.161
   67    H    LEU   9           H        LEU   9  -2.188  -1.607  -0.807
   68    HA   LEU   9           HA       LEU   9   0.497  -0.805  -1.937
   69   1HB   LEU   9          1HB       LEU   9  -2.039   0.724  -1.199
   70   2HB   LEU   9          2HB       LEU   9  -0.567   1.551  -1.611
   71    HG   LEU   9           HG       LEU   9  -1.568  -0.583  -3.553
   72   1HD1  LEU   9          1HD1      LEU   9  -2.746   2.256  -3.468
   73   2HD1  LEU   9          2HD1      LEU   9  -2.954   1.070  -4.783
   74   3HD1  LEU   9          3HD1      LEU   9  -3.614   0.727  -3.178
   75   1HD2  LEU   9          1HD2      LEU   9   0.687   0.511  -3.935
   76   2HD2  LEU   9          2HD2      LEU   9  -0.449   0.871  -5.254
   77   3HD2  LEU   9          3HD2      LEU   9  -0.106   2.102  -4.010
   78   2HN   AIB  10          HN        AIB  10  -0.589  -1.458   1.253
   79   1HB1  AIB  10          1HB1      AIB  10  -0.032  -2.388   3.475
   80   2HB1  AIB  10          2HB1      AIB  10   0.762  -1.349   4.668
   81   3HB1  AIB  10          3HB1      AIB  10  -0.791  -0.876   3.964
   82   1HB2  AIB  10          1HB2      AIB  10  -0.143   1.312   3.076
   83   2HB2  AIB  10          2HB2      AIB  10   1.359   1.093   4.009
   84   3HB2  AIB  10          3HB2      AIB  10   1.433   1.577   2.311
   85    HA   HYP  11           HA       HYP  11   4.829  -2.563   2.399
   86   1HB   HYP  11          1HB       HYP  11   4.753  -4.751   0.725
   87   2HB   HYP  11          2HB       HYP  11   4.239  -4.794   2.415
   88   1HD   HYP  11          1HD       HYP  11   0.917  -3.217   1.239
   89   2HD   HYP  11          2HD       HYP  11   1.497  -3.892   2.801
   90    HOD  HYP  11           HD1      HYP  11   1.732  -5.799   2.244
   91    HG   HYP  11           HG       HYP  11   2.470  -4.412  -0.058
   92    H    GLN  12           H        GLN  12   3.020  -1.127  -0.177
   93    HA   GLN  12           HA       GLN  12   5.524  -0.802  -1.835
   94   1HB   GLN  12          1HB       GLN  12   2.670   0.056  -2.621
   95   2HB   GLN  12          2HB       GLN  12   4.111   0.138  -3.611
   96   1HG   GLN  12          1HG       GLN  12   4.260  -2.445  -3.455
   97   2HG   GLN  12          2HG       GLN  12   2.693  -2.396  -2.643
   98   1HE2  GLN  12          1HE2      GLN  12   1.059  -2.351  -5.861
   99   2HE2  GLN  12          2HE2      GLN  12   1.056  -2.826  -4.083
  100   2HN   AIB  13          HN        AIB  13   4.450   0.618   0.767
  101   1HB1  AIB  13          1HB1      AIB  13   4.402   2.013   2.682
  102   2HB1  AIB  13          2HB1      AIB  13   5.440   3.448   2.828
  103   3HB1  AIB  13          3HB1      AIB  13   3.905   3.493   1.934
  104   1HB2  AIB  13          1HB2      AIB  13   4.480   4.096  -0.271
  105   2HB2  AIB  13          2HB2      AIB  13   5.952   4.671   0.560
  106   3HB2  AIB  13          3HB2      AIB  13   6.086   3.751  -0.939
  107    HA   HYP  14           HA       HYP  14   9.428   1.284   2.329
  108   1HB   HYP  14          1HB       HYP  14   9.334  -1.490   2.993
  109   2HB   HYP  14          2HB       HYP  14   9.205  -0.103   4.080
  110   1HD   HYP  14          1HD       HYP  14   5.799  -0.437   1.921
  111   2HD   HYP  14          2HD       HYP  14   5.846   0.703   3.250
  112    HOD  HYP  14           HD1      HYP  14   7.201   0.095   5.055
  113    HG   HYP  14           HG       HYP  14   7.070  -1.941   3.085
  114   2HN   AIB  15          HN        AIB  15   7.832  -0.945  -0.049
  115   1HB1  AIB  15          1HB1      AIB  15   7.506  -1.866  -2.346
  116   2HB1  AIB  15          2HB1      AIB  15   8.770  -2.929  -2.975
  117   3HB1  AIB  15          3HB1      AIB  15   7.988  -3.278  -1.416
  118   1HB2  AIB  15          1HB2      AIB  15  10.117  -3.378  -0.099
  119   2HB2  AIB  15          2HB2      AIB  15  10.934  -3.262  -1.686
  120   3HB2  AIB  15          3HB2      AIB  15  11.401  -2.181  -0.367
  121    HA   PRO  16           HA       PRO  16  10.958   1.361  -4.042
  122   1HB   PRO  16          1HB       PRO  16   9.421   3.679  -3.939
  123   2HB   PRO  16          2HB       PRO  16   9.083   2.309  -5.003
  124   1HG   PRO  16          1HG       PRO  16   7.732   3.059  -2.412
  125   2HG   PRO  16          2HG       PRO  16   7.024   2.306  -3.853
  126   1HD   PRO  16          1HD       PRO  16   7.844   0.992  -1.449
  127   2HD   PRO  16          2HD       PRO  16   7.443   0.143  -2.922
  128    H1   PHL  17           H1       PHL  17  11.185   2.578   1.781
  129    H2   PHL  17           H2       PHL  17  12.420   3.837   1.848
  130    HO   PHL  17           HO       PHL  17  13.674   2.212   1.635
  131    HA   PHL  17           HA       PHL  17  12.358   4.148  -0.580
  132   2HN   PHL  17          2HN       PHL  17   9.983   2.160  -0.771
  133   1HB   PHL  17          1HB       PHL  17   9.594   4.356   0.707
  134   2HB   PHL  17          2HB       PHL  17  10.894   5.512   0.910
  135    HD1  PHL  17           HD1      PHL  17  11.955   6.205  -1.668
  136    HD2  PHL  17           HD2      PHL  17   7.882   5.207  -0.725
  137    HE1  PHL  17           HE1      PHL  17  11.190   7.409  -3.667
  138    HE2  PHL  17           HE2      PHL  17   7.128   6.423  -2.726
  139    HZ   PHL  17           HZ       PHL  17   8.779   7.534  -4.196
  Start of MODEL    6
    1   1H    ACE   1          H1        ACE   1 -13.664  -2.742  -1.225
    2   2H    ACE   1          H2        ACE   1 -12.314  -3.734  -1.834
    3   3H    ACE   1          H3        ACE   1 -12.551  -3.547  -0.081
    4    H    TRP   2           H        TRP   2 -13.072  -0.790  -0.022
    5    HA   TRP   2           HA       TRP   2 -10.647   0.646  -1.014
    6   1HB   TRP   2          1HB       TRP   2 -13.007   1.480   0.716
    7   2HB   TRP   2          2HB       TRP   2 -11.535   2.351   0.978
    8    HD1  TRP   2           HD1      TRP   2 -10.449   2.621  -2.136
    9    HE1  TRP   2           HE1      TRP   2 -11.411   4.635  -3.518
   10    HE3  TRP   2           HE3      TRP   2 -14.737   3.184   0.579
   11    HZ2  TRP   2           HZ2      TRP   2 -13.720   6.276  -3.224
   12    HZ3  TRP   2           HZ3      TRP   2 -16.217   5.092   0.062
   13    HH2  TRP   2           HH2      TRP   2 -15.711   6.620  -1.801
   14    H    ILE   3           H        ILE   3 -11.499  -0.792   2.159
   15    HA   ILE   3           HA       ILE   3  -8.834  -0.109   3.281
   16    HB   ILE   3           HB       ILE   3  -9.292  -1.602   5.183
   17   1HG1  ILE   3          1HG1      ILE   3 -11.976  -2.262   5.303
   18   2HG1  ILE   3          2HG1      ILE   3 -11.732  -2.513   3.594
   19   1HG2  ILE   3          1HG2      ILE   3 -11.600   0.347   4.680
   20   2HG2  ILE   3          2HG2      ILE   3 -11.015  -0.248   6.252
   21   3HG2  ILE   3          3HG2      ILE   3  -9.969   0.777   5.251
   22   1HD1  ILE   3          1HD1      ILE   3 -10.203  -3.882   5.910
   23   2HD1  ILE   3          2HD1      ILE   3 -11.415  -4.622   4.840
   24   3HD1  ILE   3          3HD1      ILE   3  -9.823  -4.166   4.192
   25    H    GLN   4           H        GLN   4 -10.002  -2.956   1.564
   26    HA   GLN   4           HA       GLN   4  -7.496  -4.473   1.597
   27   1HB   GLN   4          1HB       GLN   4 -10.047  -4.484  -0.018
   28   2HB   GLN   4          2HB       GLN   4  -8.686  -4.945  -0.965
   29   1HG   GLN   4          1HG       GLN   4  -9.245  -6.297   1.749
   30   2HG   GLN   4          2HG       GLN   4 -10.051  -6.777   0.270
   31   1HE2  GLN   4          1HE2      GLN   4  -6.355  -8.279   0.793
   32   2HE2  GLN   4          2HE2      GLN   4  -7.291  -7.403   2.102
   33   2HN   DIV   5          HN        DIV   5  -8.511  -1.781  -0.597
   34   1HB1  DIV   5          1HB1      DIV   5  -5.421  -1.576  -3.343
   35   2HB1  DIV   5          2HB1      DIV   5  -5.626  -3.014  -2.437
   36   1HG1  DIV   5          1HG1      DIV   5  -7.642  -1.890  -4.475
   37   2HG1  DIV   5          2HG1      DIV   5  -6.646  -3.350  -4.612
   38   3HG1  DIV   5          3HG1      DIV   5  -7.979  -3.298  -3.428
   39   1HB2  DIV   5          1HB2      DIV   5  -7.992   0.563  -1.470
   40   2HB2  DIV   5          2HB2      DIV   5  -7.056   0.512  -2.970
   41   3HB2  DIV   5          3HB2      DIV   5  -8.493  -0.509  -2.775
   42    H    ILE   6           H        ILE   6  -6.792   0.141   0.495
   43    HA   ILE   6           HA       ILE   6  -4.089   1.334   0.542
   44    HB   ILE   6           HB       ILE   6  -6.168   1.077   2.772
   45   1HG1  ILE   6          1HG1      ILE   6  -5.580   3.721   1.308
   46   2HG1  ILE   6          2HG1      ILE   6  -6.645   2.576   0.540
   47   1HG2  ILE   6          1HG2      ILE   6  -3.668   2.894   2.739
   48   2HG2  ILE   6          2HG2      ILE   6  -4.996   3.023   3.912
   49   3HG2  ILE   6          3HG2      ILE   6  -4.005   1.562   3.874
   50   1HD1  ILE   6          1HD1      ILE   6  -7.140   3.706   3.367
   51   2HD1  ILE   6          2HD1      ILE   6  -7.973   4.185   1.871
   52   3HD1  ILE   6          3HD1      ILE   6  -8.181   2.539   2.517
   53    H    THR   7           H        THR   7  -5.328  -1.712   1.854
   54    HA   THR   7           HA       THR   7  -2.875  -2.385   3.367
   55    HB   THR   7           HB       THR   7  -5.203  -4.173   2.514
   56    HG1  THR   7           HG1      THR   7  -5.470  -2.378   3.993
   57   1HG2  THR   7          1HG2      THR   7  -4.450  -5.724   4.353
   58   2HG2  THR   7          2HG2      THR   7  -3.277  -5.676   3.021
   59   3HG2  THR   7          3HG2      THR   7  -2.943  -4.790   4.533
   60   2HN   AIB   8          HN        AIB   8  -3.914  -3.288   0.059
   61   1HB1  AIB   8          1HB1      AIB   8  -3.321  -2.946  -2.420
   62   2HB1  AIB   8          2HB1      AIB   8  -2.231  -4.164  -3.090
   63   3HB1  AIB   8          3HB1      AIB   8  -3.652  -4.670  -2.154
   64   1HB2  AIB   8          1HB2      AIB   8  -2.119  -6.082  -0.623
   65   2HB2  AIB   8          2HB2      AIB   8  -0.724  -5.563  -1.597
   66   3HB2  AIB   8          3HB2      AIB   8  -0.703  -5.340   0.156
   67    H    LEU   9           H        LEU   9  -2.226  -1.358  -0.692
   68    HA   LEU   9           HA       LEU   9   0.411  -0.495  -1.838
   69   1HB   LEU   9          1HB       LEU   9  -2.022   0.999  -0.756
   70   2HB   LEU   9          2HB       LEU   9  -0.563   1.837  -1.214
   71    HG   LEU   9           HG       LEU   9  -1.949  -0.034  -3.217
   72   1HD1  LEU   9          1HD1      LEU   9  -2.555   2.962  -2.848
   73   2HD1  LEU   9          2HD1      LEU   9  -3.109   1.936  -4.197
   74   3HD1  LEU   9          3HD1      LEU   9  -3.678   1.610  -2.551
   75   1HD2  LEU   9          1HD2      LEU   9   0.415   0.668  -3.775
   76   2HD2  LEU   9          2HD2      LEU   9  -0.750   1.349  -4.922
   77   3HD2  LEU   9          3HD2      LEU   9  -0.058   2.374  -3.638
   78   2HN   AIB  10          HN        AIB  10  -0.548  -1.319   1.386
   79   1HB1  AIB  10          1HB1      AIB  10   0.093  -2.423   3.551
   80   2HB1  AIB  10          2HB1      AIB  10   0.856  -1.398   4.770
   81   3HB1  AIB  10          3HB1      AIB  10  -0.682  -0.919   4.030
   82   1HB2  AIB  10          1HB2      AIB  10   0.084   1.306   3.299
   83   2HB2  AIB  10          2HB2      AIB  10   1.596   0.988   4.181
   84   3HB2  AIB  10          3HB2      AIB  10   1.649   1.543   2.506
   85    HA   HYP  11           HA       HYP  11   4.909  -2.673   2.285
   86   1HB   HYP  11          1HB       HYP  11   4.687  -4.762   0.471
   87   2HB   HYP  11          2HB       HYP  11   4.352  -4.884   2.200
   88   1HD   HYP  11          1HD       HYP  11   0.927  -3.237   1.356
   89   2HD   HYP  11          2HD       HYP  11   1.612  -3.938   2.859
   90    HOD  HYP  11           HD1      HYP  11   1.214  -5.883   1.515
   91    HG   HYP  11           HG       HYP  11   2.340  -4.454  -0.068
   92    H    GLN  12           H        GLN  12   3.044  -1.055  -0.119
   93    HA   GLN  12           HA       GLN  12   5.504  -0.684  -1.843
   94   1HB   GLN  12          1HB       GLN  12   2.644   0.261  -2.500
   95   2HB   GLN  12          2HB       GLN  12   4.063   0.376  -3.518
   96   1HG   GLN  12          1HG       GLN  12   4.182  -2.193  -3.544
   97   2HG   GLN  12          2HG       GLN  12   2.661  -2.200  -2.646
   98   1HE2  GLN  12          1HE2      GLN  12   0.865  -1.963  -5.762
   99   2HE2  GLN  12          2HE2      GLN  12   0.943  -2.526  -4.014
  100   2HN   AIB  13          HN        AIB  13   4.565   0.592   0.870
  101   1HB1  AIB  13          1HB1      AIB  13   4.595   1.880   2.850
  102   2HB1  AIB  13          2HB1      AIB  13   5.685   3.270   3.051
  103   3HB1  AIB  13          3HB1      AIB  13   4.124   3.424   2.216
  104   1HB2  AIB  13          1HB2      AIB  13   4.644   4.133   0.016
  105   2HB2  AIB  13          2HB2      AIB  13   6.155   4.618   0.835
  106   3HB2  AIB  13          3HB2      AIB  13   6.221   3.778  -0.715
  107    HA   HYP  14           HA       HYP  14   9.584   1.036   2.290
  108   1HB   HYP  14          1HB       HYP  14   9.435  -1.761   2.795
  109   2HB   HYP  14          2HB       HYP  14   9.357  -0.439   3.970
  110   1HD   HYP  14          1HD       HYP  14   5.887  -0.538   1.908
  111   2HD   HYP  14          2HD       HYP  14   6.032   0.508   3.308
  112    HOD  HYP  14           HD1      HYP  14   7.389  -0.308   5.027
  113    HG   HYP  14           HG       HYP  14   7.163  -2.161   2.891
  114   2HN   AIB  15          HN        AIB  15   7.840  -1.001  -0.159
  115   1HB1  AIB  15          1HB1      AIB  15   7.427  -1.827  -2.490
  116   2HB1  AIB  15          2HB1      AIB  15   8.663  -2.866  -3.208
  117   3HB1  AIB  15          3HB1      AIB  15   7.933  -3.283  -1.639
  118   1HB2  AIB  15          1HB2      AIB  15  10.109  -3.459  -0.409
  119   2HB2  AIB  15          2HB2      AIB  15  10.853  -3.286  -2.024
  120   3HB2  AIB  15          3HB2      AIB  15  11.393  -2.266  -0.688
  121    HA   PRO  16           HA       PRO  16  10.792   1.427  -4.224
  122   1HB   PRO  16          1HB       PRO  16   9.306   3.765  -3.947
  123   2HB   PRO  16          2HB       PRO  16   8.886   2.445  -5.042
  124   1HG   PRO  16          1HG       PRO  16   7.702   3.107  -2.350
  125   2HG   PRO  16          2HG       PRO  16   6.897   2.427  -3.776
  126   1HD   PRO  16          1HD       PRO  16   7.831   1.001  -1.477
  127   2HD   PRO  16          2HD       PRO  16   7.333   0.213  -2.960
  128    H1   PHL  17           H1       PHL  17  11.401   2.150   1.578
  129    H2   PHL  17           H2       PHL  17  12.714   3.315   1.725
  130    HO   PHL  17           HO       PHL  17  13.491   1.252   1.405
  131    HA   PHL  17           HA       PHL  17  12.552   3.877  -0.688
  132   2HN   PHL  17          2HN       PHL  17  10.021   2.094  -0.869
  133   1HB   PHL  17          1HB       PHL  17   9.912   4.145   0.842
  134   2HB   PHL  17          2HB       PHL  17  11.301   5.204   1.014
  135    HD1  PHL  17           HD1      PHL  17  12.177   6.166  -1.488
  136    HD2  PHL  17           HD2      PHL  17   8.156   5.037  -0.484
  137    HE1  PHL  17           HE1      PHL  17  11.317   7.588  -3.305
  138    HE2  PHL  17           HE2      PHL  17   7.307   6.456  -2.303
  139    HZ   PHL  17           HZ       PHL  17   8.882   7.749  -3.707
  Start of MODEL    7
    1   1H    ACE   1          H1        ACE   1 -13.461  -2.382  -1.538
    2   2H    ACE   1          H2        ACE   1 -12.109  -3.366  -2.149
    3   3H    ACE   1          H3        ACE   1 -12.499  -3.389  -0.412
    4    H    TRP   2           H        TRP   2 -12.845  -0.705   0.093
    5    HA   TRP   2           HA       TRP   2 -10.511   0.899  -0.830
    6   1HB   TRP   2          1HB       TRP   2 -11.913   1.833   1.679
    7   2HB   TRP   2          2HB       TRP   2 -11.188   2.741   0.382
    8    HD1  TRP   2           HD1      TRP   2 -12.872   2.056  -2.186
    9    HE1  TRP   2           HE1      TRP   2 -15.484   2.382  -2.417
   10    HE3  TRP   2           HE3      TRP   2 -13.872   2.239   2.821
   11    HZ2  TRP   2           HZ2      TRP   2 -17.591   2.677  -0.501
   12    HZ3  TRP   2           HZ3      TRP   2 -16.202   2.540   3.565
   13    HH2  TRP   2           HH2      TRP   2 -18.037   2.753   1.934
   14    H    ILE   3           H        ILE   3 -11.313  -0.707   2.277
   15    HA   ILE   3           HA       ILE   3  -8.674  -0.135   3.456
   16    HB   ILE   3           HB       ILE   3 -10.578  -2.341   4.456
   17   1HG1  ILE   3          1HG1      ILE   3 -11.161  -0.492   6.311
   18   2HG1  ILE   3          2HG1      ILE   3 -10.716   0.669   5.082
   19   1HG2  ILE   3          1HG2      ILE   3  -8.384  -0.773   5.958
   20   2HG2  ILE   3          2HG2      ILE   3  -9.456  -2.012   6.664
   21   3HG2  ILE   3          3HG2      ILE   3  -8.286  -2.470   5.428
   22   1HD1  ILE   3          1HD1      ILE   3 -12.929  -1.501   4.833
   23   2HD1  ILE   3          2HD1      ILE   3 -13.193   0.209   5.232
   24   3HD1  ILE   3          3HD1      ILE   3 -12.613  -0.234   3.618
   25    H    GLN   4           H        GLN   4  -9.947  -2.983   1.699
   26    HA   GLN   4           HA       GLN   4  -7.498  -4.565   1.770
   27   1HB   GLN   4          1HB       GLN   4  -9.875  -5.224   0.797
   28   2HB   GLN   4          2HB       GLN   4  -9.360  -4.427  -0.669
   29   1HG   GLN   4          1HG       GLN   4  -7.149  -6.144  -0.072
   30   2HG   GLN   4          2HG       GLN   4  -8.488  -7.039   0.597
   31   1HE2  GLN   4          1HE2      GLN   4  -7.850  -7.724  -3.187
   32   2HE2  GLN   4          2HE2      GLN   4  -6.692  -7.387  -1.804
   33   2HN   DIV   5          HN        DIV   5  -8.389  -1.840  -0.417
   34   1HB1  DIV   5          1HB1      DIV   5  -5.362  -1.742  -3.244
   35   2HB1  DIV   5          2HB1      DIV   5  -5.503  -3.151  -2.280
   36   1HG1  DIV   5          1HG1      DIV   5  -7.615  -2.167  -4.283
   37   2HG1  DIV   5          2HG1      DIV   5  -6.599  -3.617  -4.388
   38   3HG1  DIV   5          3HG1      DIV   5  -7.881  -3.530  -3.157
   39   1HB2  DIV   5          1HB2      DIV   5  -7.874   0.420  -1.377
   40   2HB2  DIV   5          2HB2      DIV   5  -6.852   0.402  -2.823
   41   3HB2  DIV   5          3HB2      DIV   5  -8.296  -0.617  -2.740
   42    H    ILE   6           H        ILE   6  -6.640   0.136   0.527
   43    HA   ILE   6           HA       ILE   6  -3.846   1.096   0.640
   44    HB   ILE   6           HB       ILE   6  -6.077   1.158   2.732
   45   1HG1  ILE   6          1HG1      ILE   6  -6.671   2.524   0.785
   46   2HG1  ILE   6          2HG1      ILE   6  -6.401   3.517   2.185
   47   1HG2  ILE   6          1HG2      ILE   6  -3.364   2.596   2.933
   48   2HG2  ILE   6          2HG2      ILE   6  -4.788   2.976   3.934
   49   3HG2  ILE   6          3HG2      ILE   6  -4.036   1.379   4.042
   50   1HD1  ILE   6          1HD1      ILE   6  -4.413   3.198  -0.169
   51   2HD1  ILE   6          2HD1      ILE   6  -5.455   4.597   0.159
   52   3HD1  ILE   6          3HD1      ILE   6  -4.122   4.212   1.267
   53    H    THR   7           H        THR   7  -5.255  -1.887   1.812
   54    HA   THR   7           HA       THR   7  -2.884  -2.612   3.465
   55    HB   THR   7           HB       THR   7  -5.235  -4.317   2.535
   56    HG1  THR   7           HG1      THR   7  -5.553  -2.621   4.059
   57   1HG2  THR   7          1HG2      THR   7  -4.546  -5.950   4.315
   58   2HG2  THR   7          2HG2      THR   7  -3.376  -5.898   2.980
   59   3HG2  THR   7          3HG2      THR   7  -3.000  -5.079   4.522
   60   2HN   AIB   8          HN        AIB   8  -3.897  -3.520   0.152
   61   1HB1  AIB   8          1HB1      AIB   8  -3.320  -3.332  -2.360
   62   2HB1  AIB   8          2HB1      AIB   8  -2.256  -4.616  -2.951
   63   3HB1  AIB   8          3HB1      AIB   8  -3.671  -5.029  -1.960
   64   1HB2  AIB   8          1HB2      AIB   8  -2.108  -6.346  -0.382
   65   2HB2  AIB   8          2HB2      AIB   8  -0.727  -5.889  -1.404
   66   3HB2  AIB   8          3HB2      AIB   8  -0.682  -5.563   0.332
   67    H    LEU   9           H        LEU   9  -2.232  -1.650  -0.677
   68    HA   LEU   9           HA       LEU   9   0.419  -0.837  -1.873
   69   1HB   LEU   9          1HB       LEU   9  -2.086   0.703  -1.046
   70   2HB   LEU   9          2HB       LEU   9  -0.624   1.522  -1.508
   71    HG   LEU   9           HG       LEU   9  -1.769  -0.580  -3.421
   72   1HD1  LEU   9          1HD1      LEU   9  -2.757   2.331  -3.293
   73   2HD1  LEU   9          2HD1      LEU   9  -3.106   1.154  -4.587
   74   3HD1  LEU   9          3HD1      LEU   9  -3.711   0.866  -2.951
   75   1HD2  LEU   9          1HD2      LEU   9   0.534   0.362  -3.890
   76   2HD2  LEU   9          2HD2      LEU   9  -0.626   0.782  -5.161
   77   3HD2  LEU   9          3HD2      LEU   9  -0.154   2.001  -3.947
   78   2HN   AIB  10          HN        AIB  10  -0.593  -1.480   1.346
   79   1HB1  AIB  10          1HB1      AIB  10   0.023  -2.409   3.572
   80   2HB1  AIB  10          2HB1      AIB  10   0.809  -1.342   4.737
   81   3HB1  AIB  10          3HB1      AIB  10  -0.756  -0.904   4.040
   82   1HB2  AIB  10          1HB2      AIB  10  -0.113   1.292   3.146
   83   2HB2  AIB  10          2HB2      AIB  10   1.408   1.079   4.046
   84   3HB2  AIB  10          3HB2      AIB  10   1.447   1.550   2.345
   85    HA   HYP  11           HA       HYP  11   4.846  -2.566   2.410
   86   1HB   HYP  11          1HB       HYP  11   4.754  -4.763   0.740
   87   2HB   HYP  11          2HB       HYP  11   4.293  -4.801   2.445
   88   1HD   HYP  11          1HD       HYP  11   0.911  -3.269   1.352
   89   2HD   HYP  11          2HD       HYP  11   1.542  -3.920   2.898
   90    HOD  HYP  11           HD1      HYP  11   1.533  -5.801   2.198
   91    HG   HYP  11           HG       HYP  11   2.440  -4.484   0.026
   92    H    GLN  12           H        GLN  12   2.968  -1.159  -0.133
   93    HA   GLN  12           HA       GLN  12   5.433  -0.819  -1.846
   94   1HB   GLN  12          1HB       GLN  12   2.551   0.008  -2.567
   95   2HB   GLN  12          2HB       GLN  12   3.972   0.120  -3.589
   96   1HG   GLN  12          1HG       GLN  12   4.158  -2.463  -3.449
   97   2HG   GLN  12          2HG       GLN  12   2.609  -2.430  -2.598
   98   1HE2  GLN  12          1HE2      GLN  12   0.919  -2.417  -5.787
   99   2HE2  GLN  12          2HE2      GLN  12   0.953  -2.901  -4.008
  100   2HN   AIB  13          HN        AIB  13   4.441   0.589   0.782
  101   1HB1  AIB  13          1HB1      AIB  13   4.397   2.004   2.688
  102   2HB1  AIB  13          2HB1      AIB  13   5.411   3.457   2.802
  103   3HB1  AIB  13          3HB1      AIB  13   3.857   3.467   1.945
  104   1HB2  AIB  13          1HB2      AIB  13   4.390   4.075  -0.274
  105   2HB2  AIB  13          2HB2      AIB  13   5.871   4.666   0.535
  106   3HB2  AIB  13          3HB2      AIB  13   5.989   3.744  -0.969
  107    HA   HYP  14           HA       HYP  14   9.416   1.342   2.244
  108   1HB   HYP  14          1HB       HYP  14   9.381  -1.407   2.965
  109   2HB   HYP  14          2HB       HYP  14   9.207  -0.005   4.026
  110   1HD   HYP  14          1HD       HYP  14   5.799  -0.438   1.906
  111   2HD   HYP  14          2HD       HYP  14   5.852   0.704   3.232
  112    HOD  HYP  14           HD1      HYP  14   7.209   0.113   5.021
  113    HG   HYP  14           HG       HYP  14   7.119  -1.916   3.044
  114   2HN   AIB  15          HN        AIB  15   7.786  -0.942  -0.045
  115   1HB1  AIB  15          1HB1      AIB  15   7.412  -1.894  -2.336
  116   2HB1  AIB  15          2HB1      AIB  15   8.676  -2.937  -2.985
  117   3HB1  AIB  15          3HB1      AIB  15   7.941  -3.280  -1.399
  118   1HB2  AIB  15          1HB2      AIB  15  10.102  -3.339  -0.141
  119   2HB2  AIB  15          2HB2      AIB  15  10.869  -3.231  -1.754
  120   3HB2  AIB  15          3HB2      AIB  15  11.363  -2.135  -0.461
  121    HA   PRO  16           HA       PRO  16  10.730   1.326  -4.231
  122   1HB   PRO  16          1HB       PRO  16   9.139   3.619  -4.121
  123   2HB   PRO  16          2HB       PRO  16   8.828   2.223  -5.155
  124   1HG   PRO  16          1HG       PRO  16   7.462   2.997  -2.589
  125   2HG   PRO  16          2HG       PRO  16   6.795   2.125  -3.983
  126   1HD   PRO  16          1HD       PRO  16   7.726   0.999  -1.515
  127   2HD   PRO  16          2HD       PRO  16   7.281   0.070  -2.925
  128    H1   PHL  17           H1       PHL  17  12.687   2.000   0.574
  129    H2   PHL  17           H2       PHL  17  11.249   2.413   1.527
  130    HO   PHL  17           HO       PHL  17  12.380   4.558   1.712
  131    HA   PHL  17           HA       PHL  17  12.328   4.061  -0.823
  132   2HN   PHL  17          2HN       PHL  17   9.866   2.178  -0.946
  133   1HB   PHL  17          1HB       PHL  17   9.654   4.301   0.664
  134   2HB   PHL  17          2HB       PHL  17  11.021   5.389   0.837
  135    HD1  PHL  17           HD1      PHL  17  11.953   6.401  -1.539
  136    HD2  PHL  17           HD2      PHL  17   7.955   4.961  -0.915
  137    HE1  PHL  17           HE1      PHL  17  11.174   7.721  -3.457
  138    HE2  PHL  17           HE2      PHL  17   7.176   6.296  -2.826
  139    HZ   PHL  17           HZ       PHL  17   8.784   7.675  -4.116
  Start of MODEL    8
    1   1H    ACE   1          H1        ACE   1 -13.547  -2.522  -1.398
    2   2H    ACE   1          H2        ACE   1 -12.192  -3.506  -2.006
    3   3H    ACE   1          H3        ACE   1 -12.477  -3.386  -0.254
    4    H    TRP   2           H        TRP   2 -12.929  -0.684   0.008
    5    HA   TRP   2           HA       TRP   2 -10.583   0.897  -0.952
    6   1HB   TRP   2          1HB       TRP   2 -12.721   2.033  -0.377
    7   2HB   TRP   2          2HB       TRP   2 -12.582   1.536   1.289
    8    HD1  TRP   2           HD1      TRP   2 -11.318   3.178   2.918
    9    HE1  TRP   2           HE1      TRP   2  -9.647   5.213   2.767
   10    HE3  TRP   2           HE3      TRP   2 -10.784   3.117  -2.163
   11    HZ2  TRP   2           HZ2      TRP   2  -8.308   6.489   0.588
   12    HZ3  TRP   2           HZ3      TRP   2  -9.254   4.745  -3.220
   13    HH2  TRP   2           HH2      TRP   2  -8.032   6.398  -1.867
   14    H    ILE   3           H        ILE   3 -11.393  -0.731   2.135
   15    HA   ILE   3           HA       ILE   3  -8.690  -0.214   3.251
   16    HB   ILE   3           HB       ILE   3  -9.082  -1.567   5.129
   17   1HG1  ILE   3          1HG1      ILE   3 -10.200  -3.552   4.415
   18   2HG1  ILE   3          2HG1      ILE   3 -11.071  -2.811   5.729
   19   1HG2  ILE   3          1HG2      ILE   3 -11.600   0.121   4.698
   20   2HG2  ILE   3          2HG2      ILE   3 -10.871  -0.361   6.248
   21   3HG2  ILE   3          3HG2      ILE   3  -9.994   0.728   5.158
   22   1HD1  ILE   3          1HD1      ILE   3 -11.930  -2.889   2.772
   23   2HD1  ILE   3          2HD1      ILE   3 -12.720  -3.659   4.162
   24   3HD1  ILE   3          3HD1      ILE   3 -12.773  -1.891   3.987
   25    H    GLN   4           H        GLN   4  -9.934  -2.960   1.390
   26    HA   GLN   4           HA       GLN   4  -7.411  -4.498   1.500
   27   1HB   GLN   4          1HB       GLN   4  -9.653  -4.432  -0.608
   28   2HB   GLN   4          2HB       GLN   4  -8.150  -5.288  -0.903
   29   1HG   GLN   4          1HG       GLN   4  -8.481  -6.603   1.261
   30   2HG   GLN   4          2HG       GLN   4 -10.087  -5.892   1.396
   31   1HE2  GLN   4          1HE2      GLN   4 -10.729  -9.126  -0.230
   32   2HE2  GLN   4          2HE2      GLN   4 -10.478  -8.310   1.394
   33   2HN   DIV   5          HN        DIV   5  -8.416  -1.785  -0.664
   34   1HB1  DIV   5          1HB1      DIV   5  -5.292  -1.485  -3.355
   35   2HB1  DIV   5          2HB1      DIV   5  -5.525  -2.951  -2.496
   36   1HG1  DIV   5          1HG1      DIV   5  -7.513  -1.749  -4.518
   37   2HG1  DIV   5          2HG1      DIV   5  -6.547  -3.232  -4.672
   38   3HG1  DIV   5          3HG1      DIV   5  -7.880  -3.167  -3.496
   39   1HB2  DIV   5          1HB2      DIV   5  -7.870   0.613  -1.431
   40   2HB2  DIV   5          2HB2      DIV   5  -6.882   0.632  -2.899
   41   3HB2  DIV   5          3HB2      DIV   5  -8.328  -0.390  -2.806
   42    H    ILE   6           H        ILE   6  -6.676   0.204   0.498
   43    HA   ILE   6           HA       ILE   6  -3.924   1.249   0.614
   44    HB   ILE   6           HB       ILE   6  -6.071   1.164   2.790
   45   1HG1  ILE   6          1HG1      ILE   6  -6.910   2.516   0.952
   46   2HG1  ILE   6          2HG1      ILE   6  -6.536   3.534   2.312
   47   1HG2  ILE   6          1HG2      ILE   6  -3.461   2.790   2.842
   48   2HG2  ILE   6          2HG2      ILE   6  -4.841   3.046   3.936
   49   3HG2  ILE   6          3HG2      ILE   6  -3.967   1.513   3.973
   50   1HD1  ILE   6          1HD1      ILE   6  -4.785   3.277  -0.229
   51   2HD1  ILE   6          2HD1      ILE   6  -5.863   4.627   0.188
   52   3HD1  ILE   6          3HD1      ILE   6  -4.408   4.325   1.163
   53    H    THR   7           H        THR   7  -5.274  -1.781   1.826
   54    HA   THR   7           HA       THR   7  -2.862  -2.500   3.412
   55    HB   THR   7           HB       THR   7  -5.194  -4.231   2.451
   56    HG1  THR   7           HG1      THR   7  -5.545  -2.532   3.975
   57   1HG2  THR   7          1HG2      THR   7  -4.530  -5.848   4.267
   58   2HG2  THR   7          2HG2      THR   7  -3.349  -5.809   2.941
   59   3HG2  THR   7          3HG2      THR   7  -2.987  -4.984   4.482
   60   2HN   AIB   8          HN        AIB   8  -3.819  -3.265   0.048
   61   1HB1  AIB   8          1HB1      AIB   8  -3.292  -3.165  -2.399
   62   2HB1  AIB   8          2HB1      AIB   8  -2.224  -4.429  -3.025
   63   3HB1  AIB   8          3HB1      AIB   8  -3.639  -4.872  -2.048
   64   1HB2  AIB   8          1HB2      AIB   8  -2.117  -6.228  -0.481
   65   2HB2  AIB   8          2HB2      AIB   8  -0.717  -5.779  -1.475
   66   3HB2  AIB   8          3HB2      AIB   8  -0.688  -5.481   0.266
   67    H    LEU   9           H        LEU   9  -2.180  -1.534  -0.718
   68    HA   LEU   9           HA       LEU   9   0.468  -0.702  -1.882
   69   1HB   LEU   9          1HB       LEU   9  -2.008   0.827  -0.952
   70   2HB   LEU   9          2HB       LEU   9  -0.551   1.648  -1.427
   71    HG   LEU   9           HG       LEU   9  -1.875  -0.353  -3.346
   72   1HD1  LEU   9          1HD1      LEU   9  -2.549   2.645  -3.169
   73   2HD1  LEU   9          2HD1      LEU   9  -3.041   1.535  -4.473
   74   3HD1  LEU   9          3HD1      LEU   9  -3.652   1.288  -2.831
   75   1HD2  LEU   9          1HD2      LEU   9   0.491   0.357  -3.888
   76   2HD2  LEU   9          2HD2      LEU   9  -0.657   0.935  -5.105
   77   3HD2  LEU   9          3HD2      LEU   9  -0.019   2.058  -3.877
   78   2HN   AIB  10          HN        AIB  10  -0.580  -1.389   1.347
   79   1HB1  AIB  10          1HB1      AIB  10   0.055  -2.417   3.564
   80   2HB1  AIB  10          2HB1      AIB  10   0.814  -1.359   4.750
   81   3HB1  AIB  10          3HB1      AIB  10  -0.735  -0.915   4.020
   82   1HB2  AIB  10          1HB2      AIB  10  -0.054   1.285   3.203
   83   2HB2  AIB  10          2HB2      AIB  10   1.459   1.048   4.103
   84   3HB2  AIB  10          3HB2      AIB  10   1.506   1.556   2.410
   85    HA   HYP  11           HA       HYP  11   4.890  -2.604   2.389
   86   1HB   HYP  11          1HB       HYP  11   4.747  -4.758   0.645
   87   2HB   HYP  11          2HB       HYP  11   4.360  -4.831   2.365
   88   1HD   HYP  11          1HD       HYP  11   0.945  -3.260   1.361
   89   2HD   HYP  11          2HD       HYP  11   1.583  -3.916   2.905
   90    HOD  HYP  11           HD1      HYP  11   1.339  -5.831   1.906
   91    HG   HYP  11           HG       HYP  11   2.411  -4.501   0.026
   92    H    GLN  12           H        GLN  12   3.032  -1.139  -0.123
   93    HA   GLN  12           HA       GLN  12   5.503  -0.778  -1.824
   94   1HB   GLN  12          1HB       GLN  12   2.624   0.056  -2.550
   95   2HB   GLN  12          2HB       GLN  12   4.050   0.169  -3.562
   96   1HG   GLN  12          1HG       GLN  12   4.238  -2.406  -3.455
   97   2HG   GLN  12          2HG       GLN  12   2.691  -2.397  -2.599
   98   1HE2  GLN  12          1HE2      GLN  12   0.954  -2.284  -5.762
   99   2HE2  GLN  12          2HE2      GLN  12   0.990  -2.778  -3.987
  100   2HN   AIB  13          HN        AIB  13   4.501   0.590   0.816
  101   1HB1  AIB  13          1HB1      AIB  13   4.479   1.962   2.742
  102   2HB1  AIB  13          2HB1      AIB  13   5.523   3.390   2.890
  103   3HB1  AIB  13          3HB1      AIB  13   3.970   3.459   2.037
  104   1HB2  AIB  13          1HB2      AIB  13   4.504   4.094  -0.186
  105   2HB2  AIB  13          2HB2      AIB  13   5.999   4.644   0.627
  106   3HB2  AIB  13          3HB2      AIB  13   6.093   3.737  -0.888
  107    HA   HYP  14           HA       HYP  14   9.499   1.255   2.287
  108   1HB   HYP  14          1HB       HYP  14   9.432  -1.505   2.939
  109   2HB   HYP  14          2HB       HYP  14   9.270  -0.128   4.039
  110   1HD   HYP  14          1HD       HYP  14   5.850  -0.461   1.923
  111   2HD   HYP  14          2HD       HYP  14   5.937   0.643   3.280
  112    HOD  HYP  14           HD1      HYP  14   7.257  -0.033   5.043
  113    HG   HYP  14           HG       HYP  14   7.173  -1.994   2.993
  114   2HN   AIB  15          HN        AIB  15   7.844  -0.947  -0.066
  115   1HB1  AIB  15          1HB1      AIB  15   7.473  -1.867  -2.376
  116   2HB1  AIB  15          2HB1      AIB  15   8.737  -2.902  -3.044
  117   3HB1  AIB  15          3HB1      AIB  15   7.986  -3.281  -1.473
  118   1HB2  AIB  15          1HB2      AIB  15  10.125  -3.393  -0.203
  119   2HB2  AIB  15          2HB2      AIB  15  10.914  -3.249  -1.804
  120   3HB2  AIB  15          3HB2      AIB  15  11.404  -2.195  -0.474
  121    HA   PRO  16           HA       PRO  16  10.818   1.364  -4.200
  122   1HB   PRO  16          1HB       PRO  16   9.236   3.663  -4.054
  123   2HB   PRO  16          2HB       PRO  16   8.919   2.286  -5.113
  124   1HG   PRO  16          1HG       PRO  16   7.563   3.021  -2.528
  125   2HG   PRO  16          2HG       PRO  16   6.884   2.193  -3.942
  126   1HD   PRO  16          1HD       PRO  16   7.789   0.989  -1.506
  127   2HD   PRO  16          2HD       PRO  16   7.363   0.097  -2.945
  128    H1   PHL  17           H1       PHL  17  12.725   1.946   0.600
  129    H2   PHL  17           H2       PHL  17  11.287   2.352   1.557
  130    HO   PHL  17           HO       PHL  17  13.601   3.947   1.223
  131    HA   PHL  17           HA       PHL  17  12.395   4.049  -0.745
  132   2HN   PHL  17          2HN       PHL  17   9.953   2.145  -0.900
  133   1HB   PHL  17          1HB       PHL  17   9.705   4.263   0.712
  134   2HB   PHL  17          2HB       PHL  17  11.065   5.354   0.918
  135    HD1  PHL  17           HD1      PHL  17  12.019   6.390  -1.442
  136    HD2  PHL  17           HD2      PHL  17   8.010   4.975  -0.853
  137    HE1  PHL  17           HE1      PHL  17  11.255   7.755  -3.338
  138    HE2  PHL  17           HE2      PHL  17   7.245   6.355  -2.741
  139    HZ   PHL  17           HZ       PHL  17   8.863   7.754  -3.990
  Start of MODEL    9
    1   1H    ACE   1          H1        ACE   1 -13.630  -2.761  -1.143
    2   2H    ACE   1          H2        ACE   1 -12.288  -3.710  -1.823
    3   3H    ACE   1          H3        ACE   1 -12.470  -3.577  -0.060
    4    H    TRP   2           H        TRP   2 -12.997  -0.931   0.226
    5    HA   TRP   2           HA       TRP   2 -10.894   0.792  -1.011
    6   1HB   TRP   2          1HB       TRP   2 -12.202   1.774   1.542
    7   2HB   TRP   2          2HB       TRP   2 -11.608   2.664   0.172
    8    HD1  TRP   2           HD1      TRP   2 -13.336   2.501  -2.183
    9    HE1  TRP   2           HE1      TRP   2 -15.980   2.434  -2.326
   10    HE3  TRP   2           HE3      TRP   2 -14.132   1.012   2.630
   11    HZ2  TRP   2           HZ2      TRP   2 -18.019   1.799  -0.423
   12    HZ3  TRP   2           HZ3      TRP   2 -16.445   0.685   3.421
   13    HH2  TRP   2           HH2      TRP   2 -18.364   1.074   1.921
   14    H    ILE   3           H        ILE   3 -11.320  -0.710   2.204
   15    HA   ILE   3           HA       ILE   3  -8.540  -0.025   3.027
   16    HB   ILE   3           HB       ILE   3 -10.379  -0.156   4.676
   17   1HG1  ILE   3          1HG1      ILE   3  -8.477  -2.275   5.723
   18   2HG1  ILE   3          2HG1      ILE   3  -7.737  -0.821   5.114
   19   1HG2  ILE   3          1HG2      ILE   3 -10.405  -3.221   4.307
   20   2HG2  ILE   3          2HG2      ILE   3 -11.237  -2.318   5.595
   21   3HG2  ILE   3          3HG2      ILE   3 -11.722  -2.096   3.902
   22   1HD1  ILE   3          1HD1      ILE   3  -9.932  -0.757   7.273
   23   2HD1  ILE   3          2HD1      ILE   3  -8.175  -0.642   7.553
   24   3HD1  ILE   3          3HD1      ILE   3  -9.013   0.635   6.642
   25    H    GLN   4           H        GLN   4  -9.914  -2.697   1.243
   26    HA   GLN   4           HA       GLN   4  -7.496  -4.404   1.455
   27   1HB   GLN   4          1HB       GLN   4  -9.758  -5.233   0.688
   28   2HB   GLN   4          2HB       GLN   4  -9.537  -4.423  -0.854
   29   1HG   GLN   4          1HG       GLN   4  -7.822  -5.936  -1.562
   30   2HG   GLN   4          2HG       GLN   4  -7.268  -6.265   0.058
   31   1HE2  GLN   4          1HE2      GLN   4 -10.178  -8.715  -1.428
   32   2HE2  GLN   4          2HE2      GLN   4  -9.659  -7.203  -2.330
   33   2HN   DIV   5          HN        DIV   5  -8.473  -1.798  -0.810
   34   1HB1  DIV   5          1HB1      DIV   5  -5.233  -1.360  -3.347
   35   2HB1  DIV   5          2HB1      DIV   5  -5.555  -2.877  -2.630
   36   1HG1  DIV   5          1HG1      DIV   5  -7.415  -1.447  -4.637
   37   2HG1  DIV   5          2HG1      DIV   5  -6.380  -2.852  -4.939
   38   3HG1  DIV   5          3HG1      DIV   5  -7.791  -3.001  -3.850
   39   1HB2  DIV   5          1HB2      DIV   5  -7.929   0.632  -1.455
   40   2HB2  DIV   5          2HB2      DIV   5  -6.953   0.700  -2.924
   41   3HB2  DIV   5          3HB2      DIV   5  -8.398  -0.332  -2.845
   42    H    ILE   6           H        ILE   6  -6.840   0.109   0.503
   43    HA   ILE   6           HA       ILE   6  -4.147   1.248   0.643
   44    HB   ILE   6           HB       ILE   6  -6.520   1.953   1.841
   45   1HG1  ILE   6          1HG1      ILE   6  -3.773   2.820   2.917
   46   2HG1  ILE   6          2HG1      ILE   6  -4.421   3.334   1.369
   47   1HG2  ILE   6          1HG2      ILE   6  -4.953   0.978   4.292
   48   2HG2  ILE   6          2HG2      ILE   6  -6.538   1.792   4.235
   49   3HG2  ILE   6          3HG2      ILE   6  -6.362   0.141   3.616
   50   1HD1  ILE   6          1HD1      ILE   6  -5.662   4.018   4.099
   51   2HD1  ILE   6          2HD1      ILE   6  -4.840   5.108   2.963
   52   3HD1  ILE   6          3HD1      ILE   6  -6.416   4.406   2.528
   53    H    THR   7           H        THR   7  -5.265  -1.848   1.677
   54    HA   THR   7           HA       THR   7  -2.843  -2.422   3.344
   55    HB   THR   7           HB       THR   7  -5.163  -4.225   2.481
   56    HG1  THR   7           HG1      THR   7  -5.547  -2.517   3.947
   57   1HG2  THR   7          1HG2      THR   7  -4.424  -5.794   4.289
   58   2HG2  THR   7          2HG2      THR   7  -3.246  -5.738   2.962
   59   3HG2  THR   7          3HG2      THR   7  -2.905  -4.887   4.494
   60   2HN   AIB   8          HN        AIB   8  -3.879  -3.274   0.020
   61   1HB1  AIB   8          1HB1      AIB   8  -3.316  -3.050  -2.450
   62   2HB1  AIB   8          2HB1      AIB   8  -2.267  -4.320  -3.092
   63   3HB1  AIB   8          3HB1      AIB   8  -3.691  -4.755  -2.119
   64   1HB2  AIB   8          1HB2      AIB   8  -2.159  -6.152  -0.574
   65   2HB2  AIB   8          2HB2      AIB   8  -0.760  -5.690  -1.569
   66   3HB2  AIB   8          3HB2      AIB   8  -0.728  -5.414   0.175
   67    H    LEU   9           H        LEU   9  -2.213  -1.457  -0.791
   68    HA   LEU   9           HA       LEU   9   0.464  -0.623  -1.903
   69   1HB   LEU   9          1HB       LEU   9  -2.051   0.892  -1.055
   70   2HB   LEU   9          2HB       LEU   9  -0.582   1.727  -1.461
   71    HG   LEU   9           HG       LEU   9  -1.707  -0.303  -3.468
   72   1HD1  LEU   9          1HD1      LEU   9  -2.652   2.616  -3.260
   73   2HD1  LEU   9          2HD1      LEU   9  -2.969   1.498  -4.615
   74   3HD1  LEU   9          3HD1      LEU   9  -3.637   1.149  -3.012
   75   1HD2  LEU   9          1HD2      LEU   9   0.624   0.627  -3.855
   76   2HD2  LEU   9          2HD2      LEU   9  -0.502   1.118  -5.134
   77   3HD2  LEU   9          3HD2      LEU   9  -0.043   2.271  -3.854
   78   2HN   AIB  10          HN        AIB  10  -0.584  -1.375   1.285
   79   1HB1  AIB  10          1HB1      AIB  10   0.013  -2.387   3.501
   80   2HB1  AIB  10          2HB1      AIB  10   0.771  -1.338   4.706
   81   3HB1  AIB  10          3HB1      AIB  10  -0.776  -0.884   3.968
   82   1HB2  AIB  10          1HB2      AIB  10  -0.072   1.327   3.177
   83   2HB2  AIB  10          2HB2      AIB  10   1.436   1.062   4.089
   84   3HB2  AIB  10          3HB2      AIB  10   1.499   1.592   2.405
   85    HA   HYP  11           HA       HYP  11   4.837  -2.615   2.329
   86   1HB   HYP  11          1HB       HYP  11   4.681  -4.734   0.556
   87   2HB   HYP  11          2HB       HYP  11   4.250  -4.839   2.267
   88   1HD   HYP  11          1HD       HYP  11   0.891  -3.185   1.258
   89   2HD   HYP  11          2HD       HYP  11   1.513  -3.896   2.792
   90    HOD  HYP  11           HD1      HYP  11   1.355  -5.763   1.908
   91    HG   HYP  11           HG       HYP  11   2.370  -4.387  -0.109
   92    H    GLN  12           H        GLN  12   3.013  -1.065  -0.166
   93    HA   GLN  12           HA       GLN  12   5.506  -0.733  -1.845
   94   1HB   GLN  12          1HB       GLN  12   2.655   0.179  -2.590
   95   2HB   GLN  12          2HB       GLN  12   4.089   0.267  -3.588
   96   1HG   GLN  12          1HG       GLN  12   4.212  -2.320  -3.496
   97   2HG   GLN  12          2HG       GLN  12   2.656  -2.274  -2.663
   98   1HE2  GLN  12          1HE2      GLN  12   0.959  -2.116  -5.838
   99   2HE2  GLN  12          2HE2      GLN  12   0.984  -2.634  -4.071
  100   2HN   AIB  13          HN        AIB  13   4.520   0.616   0.803
  101   1HB1  AIB  13          1HB1      AIB  13   4.506   1.960   2.750
  102   2HB1  AIB  13          2HB1      AIB  13   5.573   3.368   2.927
  103   3HB1  AIB  13          3HB1      AIB  13   4.032   3.474   2.053
  104   1HB2  AIB  13          1HB2      AIB  13   4.596   4.121  -0.157
  105   2HB2  AIB  13          2HB2      AIB  13   6.084   4.646   0.683
  106   3HB2  AIB  13          3HB2      AIB  13   6.196   3.760  -0.835
  107    HA   HYP  14           HA       HYP  14   9.511   1.133   2.323
  108   1HB   HYP  14          1HB       HYP  14   9.358  -1.654   2.903
  109   2HB   HYP  14          2HB       HYP  14   9.243  -0.302   4.041
  110   1HD   HYP  14          1HD       HYP  14   5.817  -0.466   1.907
  111   2HD   HYP  14          2HD       HYP  14   5.938   0.617   3.277
  112    HOD  HYP  14           HD1      HYP  14   7.238  -0.149   5.041
  113    HG   HYP  14           HG       HYP  14   7.081  -2.063   2.952
  114   2HN   AIB  15          HN        AIB  15   7.824  -0.978  -0.105
  115   1HB1  AIB  15          1HB1      AIB  15   7.452  -1.864  -2.415
  116   2HB1  AIB  15          2HB1      AIB  15   8.699  -2.930  -3.081
  117   3HB1  AIB  15          3HB1      AIB  15   7.931  -3.303  -1.522
  118   1HB2  AIB  15          1HB2      AIB  15  10.076  -3.467  -0.240
  119   2HB2  AIB  15          2HB2      AIB  15  10.869  -3.325  -1.833
  120   3HB2  AIB  15          3HB2      AIB  15  11.369  -2.280  -0.497
  121    HA   PRO  16           HA       PRO  16  10.883   1.346  -4.119
  122   1HB   PRO  16          1HB       PRO  16   9.400   3.694  -3.920
  123   2HB   PRO  16          2HB       PRO  16   8.996   2.351  -4.997
  124   1HG   PRO  16          1HG       PRO  16   7.777   3.065  -2.330
  125   2HG   PRO  16          2HG       PRO  16   6.979   2.395  -3.763
  126   1HD   PRO  16          1HD       PRO  16   7.829   0.954  -1.452
  127   2HD   PRO  16          2HD       PRO  16   7.393   0.167  -2.951
  128    H1   PHL  17           H1       PHL  17  12.556   1.731   0.843
  129    H2   PHL  17           H2       PHL  17  11.312   2.517   1.826
  130    HO   PHL  17           HO       PHL  17  12.826   4.364   1.829
  131    HA   PHL  17           HA       PHL  17  12.519   3.908  -0.627
  132   2HN   PHL  17          2HN       PHL  17  10.027   2.086  -0.800
  133   1HB   PHL  17          1HB       PHL  17   9.843   4.208   0.826
  134   2HB   PHL  17          2HB       PHL  17  11.213   5.298   0.977
  135    HD1  PHL  17           HD1      PHL  17  12.088   6.092  -1.649
  136    HD2  PHL  17           HD2      PHL  17   8.079   5.134  -0.435
  137    HE1  PHL  17           HE1      PHL  17  11.193   7.441  -3.506
  138    HE2  PHL  17           HE2      PHL  17   7.197   6.466  -2.303
  139    HZ   PHL  17           HZ       PHL  17   8.751   7.640  -3.829
  Start of MODEL   10
    1   1H    ACE   1          H1        ACE   1 -13.525  -2.804  -1.865
    2   2H    ACE   1          H2        ACE   1 -12.096  -3.689  -2.447
    3   3H    ACE   1          H3        ACE   1 -12.549  -3.791  -0.731
    4    H    TRP   2           H        TRP   2 -13.083  -1.150  -0.166
    5    HA   TRP   2           HA       TRP   2 -10.837   0.645  -0.914
    6   1HB   TRP   2          1HB       TRP   2 -13.049   0.927   1.193
    7   2HB   TRP   2          2HB       TRP   2 -11.723   2.059   1.131
    8    HD1  TRP   2           HD1      TRP   2 -15.124   1.732  -0.274
    9    HE1  TRP   2           HE1      TRP   2 -15.611   3.602  -2.072
   10    HE3  TRP   2           HE3      TRP   2 -10.259   3.087  -1.030
   11    HZ2  TRP   2           HZ2      TRP   2 -13.932   5.437  -3.490
   12    HZ3  TRP   2           HZ3      TRP   2  -9.764   4.946  -2.582
   13    HH2  TRP   2           HH2      TRP   2 -11.570   6.105  -3.787
   14    H    ILE   3           H        ILE   3 -11.545  -0.998   2.242
   15    HA   ILE   3           HA       ILE   3  -8.909  -0.249   3.299
   16    HB   ILE   3           HB       ILE   3 -10.605  -2.516   4.493
   17   1HG1  ILE   3          1HG1      ILE   3 -11.287  -0.616   6.246
   18   2HG1  ILE   3          2HG1      ILE   3 -10.946   0.511   4.953
   19   1HG2  ILE   3          1HG2      ILE   3  -8.506  -0.685   5.820
   20   2HG2  ILE   3          2HG2      ILE   3  -9.468  -1.939   6.643
   21   3HG2  ILE   3          3HG2      ILE   3  -8.291  -2.407   5.416
   22   1HD1  ILE   3          1HD1      ILE   3 -12.976  -1.838   4.818
   23   2HD1  ILE   3          2HD1      ILE   3 -13.386  -0.156   5.211
   24   3HD1  ILE   3          3HD1      ILE   3 -12.803  -0.560   3.587
   25    H    GLN   4           H        GLN   4  -9.936  -3.145   1.555
   26    HA   GLN   4           HA       GLN   4  -7.365  -4.560   1.681
   27   1HB   GLN   4          1HB       GLN   4  -9.612  -5.492   0.814
   28   2HB   GLN   4          2HB       GLN   4  -9.354  -4.594  -0.676
   29   1HG   GLN   4          1HG       GLN   4  -7.213  -5.880  -1.076
   30   2HG   GLN   4          2HG       GLN   4  -7.371  -6.677   0.482
   31   1HE2  GLN   4          1HE2      GLN   4  -9.320  -9.286  -1.015
   32   2HE2  GLN   4          2HE2      GLN   4  -8.213  -8.699   0.324
   33   2HN   DIV   5          HN        DIV   5  -8.484  -1.946  -0.561
   34   1HB1  DIV   5          1HB1      DIV   5  -5.400  -1.579  -3.297
   35   2HB1  DIV   5          2HB1      DIV   5  -5.518  -3.015  -2.368
   36   1HG1  DIV   5          1HG1      DIV   5  -7.604  -2.025  -4.403
   37   2HG1  DIV   5          2HG1      DIV   5  -6.556  -3.452  -4.509
   38   3HG1  DIV   5          3HG1      DIV   5  -7.879  -3.414  -3.316
   39   1HB2  DIV   5          1HB2      DIV   5  -8.039   0.459  -1.436
   40   2HB2  DIV   5          2HB2      DIV   5  -7.032   0.466  -2.886
   41   3HB2  DIV   5          3HB2      DIV   5  -8.437  -0.608  -2.778
   42    H    ILE   6           H        ILE   6  -6.796   0.116   0.568
   43    HA   ILE   6           HA       ILE   6  -4.069   1.279   0.626
   44    HB   ILE   6           HB       ILE   6  -6.244   1.124   2.757
   45   1HG1  ILE   6          1HG1      ILE   6  -5.506   3.878   1.834
   46   2HG1  ILE   6          2HG1      ILE   6  -5.898   2.907   0.454
   47   1HG2  ILE   6          1HG2      ILE   6  -3.625   2.709   3.044
   48   2HG2  ILE   6          2HG2      ILE   6  -5.064   2.896   4.074
   49   3HG2  ILE   6          3HG2      ILE   6  -4.187   1.363   4.068
   50   1HD1  ILE   6          1HD1      ILE   6  -7.764   3.113   2.911
   51   2HD1  ILE   6          2HD1      ILE   6  -7.879   4.143   1.461
   52   3HD1  ILE   6          3HD1      ILE   6  -8.144   2.396   1.327
   53    H    THR   7           H        THR   7  -5.312  -1.795   1.869
   54    HA   THR   7           HA       THR   7  -2.882  -2.413   3.440
   55    HB   THR   7           HB       THR   7  -5.136  -4.254   2.512
   56    HG1  THR   7           HG1      THR   7  -5.187  -2.386   4.163
   57   1HG2  THR   7          1HG2      THR   7  -4.385  -5.812   4.340
   58   2HG2  THR   7          2HG2      THR   7  -3.173  -5.712   3.045
   59   3HG2  THR   7          3HG2      THR   7  -2.911  -4.838   4.579
   60   2HN   AIB   8          HN        AIB   8  -3.838  -3.262   0.097
   61   1HB1  AIB   8          1HB1      AIB   8  -3.245  -2.936  -2.373
   62   2HB1  AIB   8          2HB1      AIB   8  -2.144  -4.152  -3.031
   63   3HB1  AIB   8          3HB1      AIB   8  -3.566  -4.662  -2.096
   64   1HB2  AIB   8          1HB2      AIB   8  -2.006  -6.057  -0.572
   65   2HB2  AIB   8          2HB2      AIB   8  -0.613  -5.511  -1.533
   66   3HB2  AIB   8          3HB2      AIB   8  -0.609  -5.293   0.220
   67    H    LEU   9           H        LEU   9  -2.203  -1.339  -0.647
   68    HA   LEU   9           HA       LEU   9   0.411  -0.405  -1.780
   69   1HB   LEU   9          1HB       LEU   9  -2.049   1.018  -0.663
   70   2HB   LEU   9          2HB       LEU   9  -0.614   1.897  -1.119
   71    HG   LEU   9           HG       LEU   9  -1.969   0.022  -3.142
   72   1HD1  LEU   9          1HD1      LEU   9  -2.659   2.992  -2.715
   73   2HD1  LEU   9          2HD1      LEU   9  -3.194   1.976  -4.079
   74   3HD1  LEU   9          3HD1      LEU   9  -3.739   1.603  -2.434
   75   1HD2  LEU   9          1HD2      LEU   9   0.372   0.806  -3.702
   76   2HD2  LEU   9          2HD2      LEU   9  -0.825   1.462  -4.834
   77   3HD2  LEU   9          3HD2      LEU   9  -0.158   2.495  -3.540
   78   2HN   AIB  10          HN        AIB  10  -0.520  -1.295   1.435
   79   1HB1  AIB  10          1HB1      AIB  10   0.122  -2.389   3.607
   80   2HB1  AIB  10          2HB1      AIB  10   0.882  -1.362   4.823
   81   3HB1  AIB  10          3HB1      AIB  10  -0.662  -0.891   4.090
   82   1HB2  AIB  10          1HB2      AIB  10   0.090   1.339   3.367
   83   2HB2  AIB  10          2HB2      AIB  10   1.608   1.026   4.241
   84   3HB2  AIB  10          3HB2      AIB  10   1.650   1.590   2.568
   85    HA   HYP  11           HA       HYP  11   4.920  -2.626   2.289
   86   1HB   HYP  11          1HB       HYP  11   4.678  -4.713   0.474
   87   2HB   HYP  11          2HB       HYP  11   4.359  -4.840   2.208
   88   1HD   HYP  11          1HD       HYP  11   0.940  -3.172   1.363
   89   2HD   HYP  11          2HD       HYP  11   1.603  -3.883   2.874
   90    HOD  HYP  11           HD1      HYP  11   1.199  -5.827   1.516
   91    HG   HYP  11           HG       HYP  11   2.332  -4.414  -0.046
   92    H    GLN  12           H        GLN  12   3.026  -1.005  -0.098
   93    HA   GLN  12           HA       GLN  12   5.469  -0.638  -1.843
   94   1HB   GLN  12          1HB       GLN  12   2.608   0.337  -2.452
   95   2HB   GLN  12          2HB       GLN  12   4.011   0.457  -3.489
   96   1HG   GLN  12          1HG       GLN  12   4.111  -2.122  -3.535
   97   2HG   GLN  12          2HG       GLN  12   2.593  -2.114  -2.632
   98   1HE2  GLN  12          1HE2      GLN  12   0.781  -1.791  -5.736
   99   2HE2  GLN  12          2HE2      GLN  12   0.853  -2.386  -3.996
  100   2HN   AIB  13          HN        AIB  13   4.581   0.625   0.888
  101   1HB1  AIB  13          1HB1      AIB  13   4.656   1.898   2.882
  102   2HB1  AIB  13          2HB1      AIB  13   5.755   3.282   3.072
  103   3HB1  AIB  13          3HB1      AIB  13   4.182   3.445   2.262
  104   1HB2  AIB  13          1HB2      AIB  13   4.673   4.168   0.064
  105   2HB2  AIB  13          2HB2      AIB  13   6.206   4.634   0.854
  106   3HB2  AIB  13          3HB2      AIB  13   6.231   3.803  -0.700
  107    HA   HYP  14           HA       HYP  14   9.627   1.032   2.246
  108   1HB   HYP  14          1HB       HYP  14   9.471  -1.764   2.757
  109   2HB   HYP  14          2HB       HYP  14   9.400  -0.441   3.930
  110   1HD   HYP  14          1HD       HYP  14   5.905  -0.519   1.913
  111   2HD   HYP  14          2HD       HYP  14   6.088   0.517   3.312
  112    HOD  HYP  14           HD1      HYP  14   7.441  -0.318   5.004
  113    HG   HYP  14           HG       HYP  14   7.195  -2.158   2.861
  114   2HN   AIB  15          HN        AIB  15   7.838  -0.990  -0.176
  115   1HB1  AIB  15          1HB1      AIB  15   7.375  -1.785  -2.500
  116   2HB1  AIB  15          2HB1      AIB  15   8.582  -2.831  -3.254
  117   3HB1  AIB  15          3HB1      AIB  15   7.869  -3.259  -1.681
  118   1HB2  AIB  15          1HB2      AIB  15  10.047  -3.492  -0.485
  119   2HB2  AIB  15          2HB2      AIB  15  10.785  -3.301  -2.102
  120   3HB2  AIB  15          3HB2      AIB  15  11.352  -2.318  -0.749
  121    HA   PRO  16           HA       PRO  16  10.782   1.431  -4.238
  122   1HB   PRO  16          1HB       PRO  16   9.303   3.776  -3.937
  123   2HB   PRO  16          2HB       PRO  16   8.881   2.462  -5.044
  124   1HG   PRO  16          1HG       PRO  16   7.685   3.119  -2.357
  125   2HG   PRO  16          2HG       PRO  16   6.892   2.435  -3.787
  126   1HD   PRO  16          1HD       PRO  16   7.813   1.006  -1.485
  127   2HD   PRO  16          2HD       PRO  16   7.320   0.230  -2.973
  128    H1   PHL  17           H1       PHL  17  12.786   1.712   0.577
  129    H2   PHL  17           H2       PHL  17  11.453   2.233   1.621
  130    HO   PHL  17           HO       PHL  17  13.838   3.683   1.091
  131    HA   PHL  17           HA       PHL  17  12.542   3.887  -0.721
  132   2HN   PHL  17          2HN       PHL  17  10.037   2.074  -0.877
  133   1HB   PHL  17          1HB       PHL  17   9.907   4.135   0.824
  134   2HB   PHL  17          2HB       PHL  17  11.303   5.186   1.011
  135    HD1  PHL  17           HD1      PHL  17  12.198   6.205  -1.425
  136    HD2  PHL  17           HD2      PHL  17   8.166   5.017  -0.556
  137    HE1  PHL  17           HE1      PHL  17  11.376   7.656  -3.235
  138    HE2  PHL  17           HE2      PHL  17   7.351   6.475  -2.362
  139    HZ   PHL  17           HZ       PHL  17   8.951   7.808  -3.697
  Start of MODEL   11
    1   1H    ACE   1          H1        ACE   1 -13.658  -2.392  -1.657
    2   2H    ACE   1          H2        ACE   1 -12.287  -3.361  -2.246
    3   3H    ACE   1          H3        ACE   1 -12.715  -3.402  -0.518
    4    H    TRP   2           H        TRP   2 -13.106  -0.708  -0.036
    5    HA   TRP   2           HA       TRP   2 -10.823   0.983  -0.892
    6   1HB   TRP   2          1HB       TRP   2 -13.069   1.304   1.170
    7   2HB   TRP   2          2HB       TRP   2 -11.683   2.330   1.331
    8    HD1  TRP   2           HD1      TRP   2 -14.066   1.405  -1.722
    9    HE1  TRP   2           HE1      TRP   2 -14.706   3.600  -3.042
   10    HE3  TRP   2           HE3      TRP   2 -11.264   4.621   1.099
   11    HZ2  TRP   2           HZ2      TRP   2 -14.049   6.361  -2.680
   12    HZ3  TRP   2           HZ3      TRP   2 -11.363   7.037   0.600
   13    HH2  TRP   2           HH2      TRP   2 -12.736   7.895  -1.253
   14    H    ILE   3           H        ILE   3 -11.452  -0.610   2.274
   15    HA   ILE   3           HA       ILE   3  -8.757   0.025   3.271
   16    HB   ILE   3           HB       ILE   3 -10.676  -2.144   4.313
   17   1HG1  ILE   3          1HG1      ILE   3 -10.351   0.571   5.723
   18   2HG1  ILE   3          2HG1      ILE   3 -11.485   0.442   4.403
   19   1HG2  ILE   3          1HG2      ILE   3  -8.261  -0.848   5.746
   20   2HG2  ILE   3          2HG2      ILE   3  -9.429  -1.941   6.528
   21   3HG2  ILE   3          3HG2      ILE   3  -8.398  -2.547   5.228
   22   1HD1  ILE   3          1HD1      ILE   3 -11.638  -1.334   6.920
   23   2HD1  ILE   3          2HD1      ILE   3 -12.644   0.086   6.554
   24   3HD1  ILE   3          3HD1      ILE   3 -12.765  -1.371   5.540
   25    H    GLN   4           H        GLN   4  -9.985  -2.809   1.558
   26    HA   GLN   4           HA       GLN   4  -7.513  -4.366   1.692
   27   1HB   GLN   4          1HB       GLN   4 -10.098  -4.841   0.704
   28   2HB   GLN   4          2HB       GLN   4  -9.244  -4.671  -0.800
   29   1HG   GLN   4          1HG       GLN   4  -7.747  -6.542  -0.272
   30   2HG   GLN   4          2HG       GLN   4  -8.165  -6.520   1.430
   31   1HE2  GLN   4          1HE2      GLN   4 -11.072  -8.590   1.026
   32   2HE2  GLN   4          2HE2      GLN   4 -10.119  -7.473   2.124
   33   2HN   DIV   5          HN        DIV   5  -8.496  -1.806  -0.559
   34   1HB1  DIV   5          1HB1      DIV   5  -5.456  -1.614  -3.386
   35   2HB1  DIV   5          2HB1      DIV   5  -5.624  -3.071  -2.500
   36   1HG1  DIV   5          1HG1      DIV   5  -7.656  -1.942  -4.519
   37   2HG1  DIV   5          2HG1      DIV   5  -6.643  -3.386  -4.678
   38   3HG1  DIV   5          3HG1      DIV   5  -7.982  -3.370  -3.498
   39   1HB2  DIV   5          1HB2      DIV   5  -8.004   0.487  -1.515
   40   2HB2  DIV   5          2HB2      DIV   5  -6.997   0.485  -2.970
   41   3HB2  DIV   5          3HB2      DIV   5  -8.443  -0.539  -2.878
   42    H    ILE   6           H        ILE   6  -6.768   0.077   0.477
   43    HA   ILE   6           HA       ILE   6  -3.996   1.171   0.464
   44    HB   ILE   6           HB       ILE   6  -6.059   1.117   2.708
   45   1HG1  ILE   6          1HG1      ILE   6  -5.381   3.723   1.235
   46   2HG1  ILE   6          2HG1      ILE   6  -6.370   2.591   0.367
   47   1HG2  ILE   6          1HG2      ILE   6  -3.459   2.784   2.589
   48   2HG2  ILE   6          2HG2      ILE   6  -4.781   3.071   3.739
   49   3HG2  ILE   6          3HG2      ILE   6  -3.890   1.550   3.796
   50   1HD1  ILE   6          1HD1      ILE   6  -7.085   3.673   3.167
   51   2HD1  ILE   6          2HD1      ILE   6  -7.815   4.159   1.617
   52   3HD1  ILE   6          3HD1      ILE   6  -8.056   2.509   2.236
   53    H    THR   7           H        THR   7  -5.283  -1.865   1.600
   54    HA   THR   7           HA       THR   7  -2.914  -2.563   3.281
   55    HB   THR   7           HB       THR   7  -5.205  -4.328   2.288
   56    HG1  THR   7           HG1      THR   7  -5.615  -2.614   3.794
   57   1HG2  THR   7          1HG2      THR   7  -4.528  -5.928   4.108
   58   2HG2  THR   7          2HG2      THR   7  -3.304  -5.836   2.826
   59   3HG2  THR   7          3HG2      THR   7  -3.031  -5.001   4.379
   60   2HN   AIB   8          HN        AIB   8  -3.940  -3.433  -0.041
   61   1HB1  AIB   8          1HB1      AIB   8  -3.339  -2.971  -2.524
   62   2HB1  AIB   8          2HB1      AIB   8  -2.248  -4.170  -3.232
   63   3HB1  AIB   8          3HB1      AIB   8  -3.670  -4.705  -2.310
   64   1HB2  AIB   8          1HB2      AIB   8  -2.142  -6.153  -0.819
   65   2HB2  AIB   8          2HB2      AIB   8  -0.744  -5.613  -1.773
   66   3HB2  AIB   8          3HB2      AIB   8  -0.728  -5.438  -0.014
   67    H    LEU   9           H        LEU   9  -2.247  -1.428  -0.788
   68    HA   LEU   9           HA       LEU   9   0.389  -0.551  -1.923
   69   1HB   LEU   9          1HB       LEU   9  -2.072   0.921  -0.880
   70   2HB   LEU   9          2HB       LEU   9  -0.613   1.772  -1.305
   71    HG   LEU   9           HG       LEU   9  -1.901  -0.110  -3.356
   72   1HD1  LEU   9          1HD1      LEU   9  -2.669   2.840  -2.933
   73   2HD1  LEU   9          2HD1      LEU   9  -3.113   1.841  -4.340
   74   3HD1  LEU   9          3HD1      LEU   9  -3.729   1.422  -2.733
   75   1HD2  LEU   9          1HD2      LEU   9   0.443   0.706  -3.834
   76   2HD2  LEU   9          2HD2      LEU   9  -0.720   1.350  -5.008
   77   3HD2  LEU   9          3HD2      LEU   9  -0.114   2.387  -3.691
   78   2HN   AIB  10          HN        AIB  10  -0.581  -1.381   1.290
   79   1HB1  AIB  10          1HB1      AIB  10   0.027  -2.453   3.449
   80   2HB1  AIB  10          2HB1      AIB  10   0.814  -1.456   4.676
   81   3HB1  AIB  10          3HB1      AIB  10  -0.730  -0.951   3.966
   82   1HB2  AIB  10          1HB2      AIB  10  -0.009   1.278   3.180
   83   2HB2  AIB  10          2HB2      AIB  10   1.493   0.986   4.091
   84   3HB2  AIB  10          3HB2      AIB  10   1.566   1.523   2.409
   85    HA   HYP  11           HA       HYP  11   4.878  -2.645   2.254
   86   1HB   HYP  11          1HB       HYP  11   4.699  -4.736   0.429
   87   2HB   HYP  11          2HB       HYP  11   4.373  -4.867   2.157
   88   1HD   HYP  11          1HD       HYP  11   0.923  -3.264   1.275
   89   2HD   HYP  11          2HD       HYP  11   1.597  -3.942   2.798
   90    HOD  HYP  11           HD1      HYP  11   1.223  -5.938   1.336
   91    HG   HYP  11           HG       HYP  11   2.355  -4.490  -0.112
   92    H    GLN  12           H        GLN  12   3.031  -1.041  -0.159
   93    HA   GLN  12           HA       GLN  12   5.504  -0.643  -1.857
   94   1HB   GLN  12          1HB       GLN  12   2.642   0.290  -2.533
   95   2HB   GLN  12          2HB       GLN  12   4.067   0.415  -3.540
   96   1HG   GLN  12          1HG       GLN  12   4.193  -2.156  -3.558
   97   2HG   GLN  12          2HG       GLN  12   2.654  -2.163  -2.694
   98   1HE2  GLN  12          1HE2      GLN  12   0.920  -1.950  -5.845
   99   2HE2  GLN  12          2HE2      GLN  12   0.993  -2.545  -4.104
  100   2HN   AIB  13          HN        AIB  13   4.558   0.603   0.847
  101   1HB1  AIB  13          1HB1      AIB  13   4.539   1.896   2.833
  102   2HB1  AIB  13          2HB1      AIB  13   5.639   3.273   3.059
  103   3HB1  AIB  13          3HB1      AIB  13   4.092   3.451   2.208
  104   1HB2  AIB  13          1HB2      AIB  13   4.622   4.155   0.010
  105   2HB2  AIB  13          2HB2      AIB  13   6.123   4.646   0.839
  106   3HB2  AIB  13          3HB2      AIB  13   6.207   3.805  -0.710
  107    HA   HYP  14           HA       HYP  14   9.543   1.058   2.328
  108   1HB   HYP  14          1HB       HYP  14   9.382  -1.738   2.833
  109   2HB   HYP  14          2HB       HYP  14   9.284  -0.418   4.008
  110   1HD   HYP  14          1HD       HYP  14   5.831  -0.507   1.908
  111   2HD   HYP  14          2HD       HYP  14   5.985   0.538   3.310
  112    HOD  HYP  14           HD1      HYP  14   7.302  -0.290   5.031
  113    HG   HYP  14           HG       HYP  14   7.104  -2.137   2.891
  114   2HN   AIB  15          HN        AIB  15   7.831  -0.970  -0.141
  115   1HB1  AIB  15          1HB1      AIB  15   7.427  -1.800  -2.467
  116   2HB1  AIB  15          2HB1      AIB  15   8.666  -2.833  -3.186
  117   3HB1  AIB  15          3HB1      AIB  15   7.923  -3.266  -1.631
  118   1HB2  AIB  15          1HB2      AIB  15  10.085  -3.456  -0.372
  119   2HB2  AIB  15          2HB2      AIB  15  10.843  -3.278  -1.978
  120   3HB2  AIB  15          3HB2      AIB  15  11.375  -2.266  -0.630
  121    HA   PRO  16           HA       PRO  16  10.817   1.459  -4.150
  122   1HB   PRO  16          1HB       PRO  16   9.336   3.800  -3.844
  123   2HB   PRO  16          2HB       PRO  16   8.916   2.500  -4.964
  124   1HG   PRO  16          1HG       PRO  16   7.734   3.120  -2.258
  125   2HG   PRO  16          2HG       PRO  16   6.923   2.480  -3.698
  126   1HD   PRO  16          1HD       PRO  16   7.814   0.991  -1.435
  127   2HD   PRO  16          2HD       PRO  16   7.353   0.242  -2.948
  128    H1   PHL  17           H1       PHL  17  12.733   1.737   0.721
  129    H2   PHL  17           H2       PHL  17  11.348   2.252   1.703
  130    HO   PHL  17           HO       PHL  17  13.814   3.608   1.363
  131    HA   PHL  17           HA       PHL  17  12.528   3.914  -0.591
  132   2HN   PHL  17          2HN       PHL  17  10.019   2.107  -0.799
  133   1HB   PHL  17          1HB       PHL  17   9.868   4.157   0.913
  134   2HB   PHL  17          2HB       PHL  17  11.247   5.230   1.097
  135    HD1  PHL  17           HD1      PHL  17  12.123   6.136  -1.471
  136    HD2  PHL  17           HD2      PHL  17   8.106   5.123  -0.341
  137    HE1  PHL  17           HE1      PHL  17  11.244   7.556  -3.283
  138    HE2  PHL  17           HE2      PHL  17   7.240   6.536  -2.155
  139    HZ   PHL  17           HZ       PHL  17   8.805   7.771  -3.619
  Start of MODEL   12
    1   1H    ACE   1          H1        ACE   1 -13.714  -2.407  -1.127
    2   2H    ACE   1          H2        ACE   1 -12.450  -3.460  -1.808
    3   3H    ACE   1          H3        ACE   1 -12.620  -3.306  -0.044
    4    H    TRP   2           H        TRP   2 -12.939  -0.563   0.160
    5    HA   TRP   2           HA       TRP   2 -10.579   0.864  -0.998
    6   1HB   TRP   2          1HB       TRP   2 -12.774   1.979  -0.301
    7   2HB   TRP   2          2HB       TRP   2 -12.292   1.818   1.365
    8    HD1  TRP   2           HD1      TRP   2  -9.070   2.936   0.887
    9    HE1  TRP   2           HE1      TRP   2  -8.670   5.493   0.530
   10    HE3  TRP   2           HE3      TRP   2 -13.862   4.079  -0.494
   11    HZ2  TRP   2           HZ2      TRP   2 -10.392   7.666  -0.111
   12    HZ3  TRP   2           HZ3      TRP   2 -14.434   6.446  -0.900
   13    HH2  TRP   2           HH2      TRP   2 -12.727   8.212  -0.710
   14    H    ILE   3           H        ILE   3 -11.330  -0.555   2.245
   15    HA   ILE   3           HA       ILE   3  -8.576  -0.135   3.190
   16    HB   ILE   3           HB       ILE   3 -10.519  -0.333   4.767
   17   1HG1  ILE   3          1HG1      ILE   3  -9.371  -1.700   6.561
   18   2HG1  ILE   3          2HG1      ILE   3  -8.173  -2.214   5.392
   19   1HG2  ILE   3          1HG2      ILE   3 -10.432  -3.381   4.336
   20   2HG2  ILE   3          2HG2      ILE   3 -11.403  -2.493   5.528
   21   3HG2  ILE   3          3HG2      ILE   3 -11.733  -2.295   3.800
   22   1HD1  ILE   3          1HD1      ILE   3  -8.722   0.714   6.246
   23   2HD1  ILE   3          2HD1      ILE   3  -7.370  -0.303   6.798
   24   3HD1  ILE   3          3HD1      ILE   3  -7.446   0.216   5.102
   25    H    GLN   4           H        GLN   4  -9.971  -2.820   1.391
   26    HA   GLN   4           HA       GLN   4  -7.543  -4.493   1.473
   27   1HB   GLN   4          1HB       GLN   4  -9.951  -5.143   0.624
   28   2HB   GLN   4          2HB       GLN   4  -9.509  -4.375  -0.892
   29   1HG   GLN   4          1HG       GLN   4  -7.537  -5.986  -1.096
   30   2HG   GLN   4          2HG       GLN   4  -7.958  -6.675   0.469
   31   1HE2  GLN   4          1HE2      GLN   4  -9.524  -9.153  -1.630
   32   2HE2  GLN   4          2HE2      GLN   4  -8.015  -8.676  -0.708
   33   2HN   DIV   5          HN        DIV   5  -8.480  -1.788  -0.709
   34   1HB1  DIV   5          1HB1      DIV   5  -5.436  -1.615  -3.509
   35   2HB1  DIV   5          2HB1      DIV   5  -5.646  -3.067  -2.627
   36   1HG1  DIV   5          1HG1      DIV   5  -7.689  -1.892  -4.609
   37   2HG1  DIV   5          2HG1      DIV   5  -6.705  -3.352  -4.793
   38   3HG1  DIV   5          3HG1      DIV   5  -8.010  -3.318  -3.581
   39   1HB2  DIV   5          1HB2      DIV   5  -7.940   0.537  -1.582
   40   2HB2  DIV   5          2HB2      DIV   5  -7.027   0.483  -3.099
   41   3HB2  DIV   5          3HB2      DIV   5  -8.473  -0.522  -2.885
   42    H    ILE   6           H        ILE   6  -6.704   0.164   0.334
   43    HA   ILE   6           HA       ILE   6  -3.913   1.134   0.358
   44    HB   ILE   6           HB       ILE   6  -6.006   1.207   2.586
   45   1HG1  ILE   6          1HG1      ILE   6  -6.834   2.491   0.690
   46   2HG1  ILE   6          2HG1      ILE   6  -6.437   3.547   2.018
   47   1HG2  ILE   6          1HG2      ILE   6  -3.338   2.736   2.485
   48   2HG2  ILE   6          2HG2      ILE   6  -4.676   3.108   3.600
   49   3HG2  ILE   6          3HG2      ILE   6  -3.861   1.543   3.695
   50   1HD1  ILE   6          1HD1      ILE   6  -4.726   3.194  -0.540
   51   2HD1  ILE   6          2HD1      ILE   6  -5.782   4.568  -0.142
   52   3HD1  ILE   6          3HD1      ILE   6  -4.315   4.279   0.816
   53    H    THR   7           H        THR   7  -5.311  -1.826   1.633
   54    HA   THR   7           HA       THR   7  -2.897  -2.589   3.205
   55    HB   THR   7           HB       THR   7  -5.267  -4.264   2.255
   56    HG1  THR   7           HG1      THR   7  -5.572  -2.642   3.844
   57   1HG2  THR   7          1HG2      THR   7  -4.575  -5.970   3.960
   58   2HG2  THR   7          2HG2      THR   7  -3.422  -5.880   2.612
   59   3HG2  THR   7          3HG2      THR   7  -3.014  -5.138   4.184
   60   2HN   AIB   8          HN        AIB   8  -3.944  -3.401  -0.125
   61   1HB1  AIB   8          1HB1      AIB   8  -3.355  -3.045  -2.604
   62   2HB1  AIB   8          2HB1      AIB   8  -2.286  -4.278  -3.291
   63   3HB1  AIB   8          3HB1      AIB   8  -3.711  -4.768  -2.348
   64   1HB2  AIB   8          1HB2      AIB   8  -2.221  -6.207  -0.837
   65   2HB2  AIB   8          2HB2      AIB   8  -0.807  -5.723  -1.798
   66   3HB2  AIB   8          3HB2      AIB   8  -0.792  -5.510  -0.044
   67    H    LEU   9           H        LEU   9  -2.212  -1.489  -0.891
   68    HA   LEU   9           HA       LEU   9   0.470  -0.685  -2.014
   69   1HB   LEU   9          1HB       LEU   9  -2.002   0.859  -1.107
   70   2HB   LEU   9          2HB       LEU   9  -0.524   1.672  -1.534
   71    HG   LEU   9           HG       LEU   9  -1.765  -0.297  -3.535
   72   1HD1  LEU   9          1HD1      LEU   9  -2.588   2.652  -3.264
   73   2HD1  LEU   9          2HD1      LEU   9  -2.982   1.577  -4.630
   74   3HD1  LEU   9          3HD1      LEU   9  -3.626   1.227  -3.021
   75   1HD2  LEU   9          1HD2      LEU   9   0.582   0.529  -3.990
   76   2HD2  LEU   9          2HD2      LEU   9  -0.561   1.086  -5.223
   77   3HD2  LEU   9          3HD2      LEU   9  -0.005   2.204  -3.951
   78   2HN   AIB  10          HN        AIB  10  -0.614  -1.407   1.182
   79   1HB1  AIB  10          1HB1      AIB  10  -0.024  -2.476   3.381
   80   2HB1  AIB  10          2HB1      AIB  10   0.729  -1.449   4.605
   81   3HB1  AIB  10          3HB1      AIB  10  -0.806  -0.976   3.861
   82   1HB2  AIB  10          1HB2      AIB  10  -0.100   1.238   3.080
   83   2HB2  AIB  10          2HB2      AIB  10   1.395   0.975   4.009
   84   3HB2  AIB  10          3HB2      AIB  10   1.478   1.506   2.325
   85    HA   HYP  11           HA       HYP  11   4.838  -2.656   2.306
   86   1HB   HYP  11          1HB       HYP  11   4.732  -4.776   0.523
   87   2HB   HYP  11          2HB       HYP  11   4.302  -4.878   2.231
   88   1HD   HYP  11          1HD       HYP  11   0.917  -3.281   1.174
   89   2HD   HYP  11          2HD       HYP  11   1.516  -3.967   2.721
   90    HOD  HYP  11           HD1      HYP  11   1.290  -5.868   1.663
   91    HG   HYP  11           HG       HYP  11   2.413  -4.496  -0.151
   92    H    GLN  12           H        GLN  12   3.046  -1.122  -0.204
   93    HA   GLN  12           HA       GLN  12   5.560  -0.734  -1.839
   94   1HB   GLN  12          1HB       GLN  12   2.701   0.128  -2.619
   95   2HB   GLN  12          2HB       GLN  12   4.153   0.254  -3.590
   96   1HG   GLN  12          1HG       GLN  12   4.325  -2.325  -3.528
   97   2HG   GLN  12          2HG       GLN  12   2.758  -2.325  -2.712
   98   1HE2  GLN  12          1HE2      GLN  12   1.103  -2.165  -5.915
   99   2HE2  GLN  12          2HE2      GLN  12   1.107  -2.700  -4.152
  100   2HN   AIB  13          HN        AIB  13   4.503   0.576   0.809
  101   1HB1  AIB  13          1HB1      AIB  13   4.431   1.909   2.763
  102   2HB1  AIB  13          2HB1      AIB  13   5.475   3.332   2.968
  103   3HB1  AIB  13          3HB1      AIB  13   3.946   3.422   2.071
  104   1HB2  AIB  13          1HB2      AIB  13   4.542   4.097  -0.124
  105   2HB2  AIB  13          2HB2      AIB  13   6.011   4.631   0.742
  106   3HB2  AIB  13          3HB2      AIB  13   6.155   3.756  -0.783
  107    HA   HYP  14           HA       HYP  14   9.456   1.167   2.420
  108   1HB   HYP  14          1HB       HYP  14   9.343  -1.615   2.992
  109   2HB   HYP  14          2HB       HYP  14   9.179  -0.269   4.130
  110   1HD   HYP  14          1HD       HYP  14   5.803  -0.500   1.922
  111   2HD   HYP  14          2HD       HYP  14   5.871   0.576   3.304
  112    HOD  HYP  14           HD1      HYP  14   7.136  -0.156   5.085
  113    HG   HYP  14           HG       HYP  14   7.077  -2.071   2.992
  114   2HN   AIB  15          HN        AIB  15   7.850  -0.963  -0.041
  115   1HB1  AIB  15          1HB1      AIB  15   7.539  -1.837  -2.363
  116   2HB1  AIB  15          2HB1      AIB  15   8.817  -2.860  -3.026
  117   3HB1  AIB  15          3HB1      AIB  15   8.031  -3.279  -1.488
  118   1HB2  AIB  15          1HB2      AIB  15  10.133  -3.414  -0.160
  119   2HB2  AIB  15          2HB2      AIB  15  10.964  -3.243  -1.732
  120   3HB2  AIB  15          3HB2      AIB  15  11.419  -2.210  -0.371
  121    HA   PRO  16           HA       PRO  16  10.935   1.439  -4.004
  122   1HB   PRO  16          1HB       PRO  16   9.395   3.752  -3.826
  123   2HB   PRO  16          2HB       PRO  16   9.044   2.409  -4.919
  124   1HG   PRO  16          1HG       PRO  16   7.749   3.086  -2.278
  125   2HG   PRO  16          2HG       PRO  16   7.003   2.389  -3.727
  126   1HD   PRO  16          1HD       PRO  16   7.843   0.983  -1.390
  127   2HD   PRO  16          2HD       PRO  16   7.448   0.183  -2.893
  128    H1   PHL  17           H1       PHL  17  12.633   1.879   0.932
  129    H2   PHL  17           H2       PHL  17  11.242   2.445   1.872
  130    HO   PHL  17           HO       PHL  17  13.669   3.853   1.434
  131    HA   PHL  17           HA       PHL  17  12.458   4.021  -0.462
  132   2HN   PHL  17          2HN       PHL  17  10.007   2.141  -0.697
  133   1HB   PHL  17          1HB       PHL  17   9.742   4.249   0.932
  134   2HB   PHL  17          2HB       PHL  17  11.092   5.357   1.139
  135    HD1  PHL  17           HD1      PHL  17   8.017   5.102  -0.449
  136    HD2  PHL  17           HD2      PHL  17  12.049   6.254  -1.383
  137    HE1  PHL  17           HE1      PHL  17   7.199   6.444  -2.338
  138    HE2  PHL  17           HE2      PHL  17  11.217   7.602  -3.268
  139    HZ   PHL  17           HZ       PHL  17   8.793   7.711  -3.741
  Start of MODEL   13
    1   1H    ACE   1          H1        ACE   1 -13.390  -2.756  -1.396
    2   2H    ACE   1          H2        ACE   1 -11.902  -3.531  -1.999
    3   3H    ACE   1          H3        ACE   1 -12.266  -3.551  -0.255
    4    H    TRP   2           H        TRP   2 -12.908  -1.082   0.378
    5    HA   TRP   2           HA       TRP   2 -10.957   0.945  -0.659
    6   1HB   TRP   2          1HB       TRP   2 -12.725   1.178   1.852
    7   2HB   TRP   2          2HB       TRP   2 -11.755   2.457   1.165
    8    HD1  TRP   2           HD1      TRP   2 -15.165   0.795   0.844
    9    HE1  TRP   2           HE1      TRP   2 -16.725   2.080  -0.850
   10    HE3  TRP   2           HE3      TRP   2 -11.521   3.765  -1.169
   11    HZ2  TRP   2           HZ2      TRP   2 -16.255   4.151  -2.756
   12    HZ3  TRP   2           HZ3      TRP   2 -12.155   5.413  -2.905
   13    HH2  TRP   2           HH2      TRP   2 -14.483   5.607  -3.677
   14    H    ILE   3           H        ILE   3 -11.293  -0.751   2.518
   15    HA   ILE   3           HA       ILE   3  -8.460  -0.124   3.204
   16    HB   ILE   3           HB       ILE   3  -8.633  -1.673   5.128
   17   1HG1  ILE   3          1HG1      ILE   3 -11.658  -1.940   4.628
   18   2HG1  ILE   3          2HG1      ILE   3 -10.523  -3.157   4.088
   19   1HG2  ILE   3          1HG2      ILE   3 -10.803   0.502   5.133
   20   2HG2  ILE   3          2HG2      ILE   3  -9.993  -0.202   6.554
   21   3HG2  ILE   3          3HG2      ILE   3  -9.058   0.751   5.391
   22   1HD1  ILE   3          1HD1      ILE   3 -10.835  -2.348   7.044
   23   2HD1  ILE   3          2HD1      ILE   3 -11.495  -3.803   6.267
   24   3HD1  ILE   3          3HD1      ILE   3  -9.737  -3.600   6.408
   25    H    GLN   4           H        GLN   4  -9.947  -2.728   1.420
   26    HA   GLN   4           HA       GLN   4  -7.601  -4.510   1.447
   27   1HB   GLN   4          1HB       GLN   4  -9.999  -5.052   0.545
   28   2HB   GLN   4          2HB       GLN   4  -9.578  -4.138  -0.881
   29   1HG   GLN   4          1HG       GLN   4  -9.179  -6.339  -1.538
   30   2HG   GLN   4          2HG       GLN   4  -7.557  -5.789  -1.193
   31   1HE2  GLN   4          1HE2      GLN   4  -8.844  -9.056   0.773
   32   2HE2  GLN   4          2HE2      GLN   4  -9.653  -8.319  -0.698
   33   2HN   DIV   5          HN        DIV   5  -8.460  -1.717  -0.711
   34   1HB1  DIV   5          1HB1      DIV   5  -5.233  -1.467  -3.302
   35   2HB1  DIV   5          2HB1      DIV   5  -5.478  -2.934  -2.449
   36   1HG1  DIV   5          1HG1      DIV   5  -7.387  -1.780  -4.558
   37   2HG1  DIV   5          2HG1      DIV   5  -6.351  -3.216  -4.696
   38   3HG1  DIV   5          3HG1      DIV   5  -7.737  -3.238  -3.583
   39   1HB2  DIV   5          1HB2      DIV   5  -7.969   0.554  -1.501
   40   2HB2  DIV   5          2HB2      DIV   5  -6.905   0.623  -2.919
   41   3HB2  DIV   5          3HB2      DIV   5  -8.324  -0.444  -2.915
   42    H    ILE   6           H        ILE   6  -6.834  -0.008   0.602
   43    HA   ILE   6           HA       ILE   6  -4.142   1.194   0.703
   44    HB   ILE   6           HB       ILE   6  -6.497   1.853   2.000
   45   1HG1  ILE   6          1HG1      ILE   6  -4.867   3.405   3.451
   46   2HG1  ILE   6          2HG1      ILE   6  -3.613   2.726   2.432
   47   1HG2  ILE   6          1HG2      ILE   6  -4.814   0.828   4.344
   48   2HG2  ILE   6          2HG2      ILE   6  -6.370   1.686   4.397
   49   3HG2  ILE   6          3HG2      ILE   6  -6.285   0.040   3.751
   50   1HD1  ILE   6          1HD1      ILE   6  -6.129   4.262   1.466
   51   2HD1  ILE   6          2HD1      ILE   6  -4.458   4.855   1.470
   52   3HD1  ILE   6          3HD1      ILE   6  -4.929   3.541   0.365
   53    H    THR   7           H        THR   7  -5.286  -1.899   1.682
   54    HA   THR   7           HA       THR   7  -2.886  -2.532   3.324
   55    HB   THR   7           HB       THR   7  -5.194  -4.346   2.437
   56    HG1  THR   7           HG1      THR   7  -5.551  -2.675   3.975
   57   1HG2  THR   7          1HG2      THR   7  -4.387  -5.939   4.231
   58   2HG2  THR   7          2HG2      THR   7  -3.274  -5.863   2.850
   59   3HG2  THR   7          3HG2      THR   7  -2.874  -5.005   4.362
   60   2HN   AIB   8          HN        AIB   8  -3.922  -3.489   0.023
   61   1HB1  AIB   8          1HB1      AIB   8  -3.317  -3.231  -2.476
   62   2HB1  AIB   8          2HB1      AIB   8  -2.203  -4.464  -3.090
   63   3HB1  AIB   8          3HB1      AIB   8  -3.615  -4.949  -2.128
   64   1HB2  AIB   8          1HB2      AIB   8  -2.102  -6.245  -0.522
   65   2HB2  AIB   8          2HB2      AIB   8  -0.690  -5.785  -1.497
   66   3HB2  AIB   8          3HB2      AIB   8  -0.701  -5.469   0.237
   67    H    LEU   9           H        LEU   9  -2.233  -1.503  -0.809
   68    HA   LEU   9           HA       LEU   9   0.481  -0.759  -1.930
   69   1HB   LEU   9          1HB       LEU   9  -2.050   0.803  -1.233
   70   2HB   LEU   9          2HB       LEU   9  -0.552   1.613  -1.618
   71    HG   LEU   9           HG       LEU   9  -1.582  -0.511  -3.563
   72   1HD1  LEU   9          1HD1      LEU   9  -2.629   2.378  -3.537
   73   2HD1  LEU   9          2HD1      LEU   9  -2.872   1.175  -4.832
   74   3HD1  LEU   9          3HD1      LEU   9  -3.565   0.891  -3.233
   75   1HD2  LEU   9          1HD2      LEU   9   0.734   0.436  -3.911
   76   2HD2  LEU   9          2HD2      LEU   9  -0.342   0.845  -5.258
   77   3HD2  LEU   9          3HD2      LEU   9   0.052   2.074  -4.028
   78   2HN   AIB  10          HN        AIB  10  -0.572  -1.389   1.235
   79   1HB1  AIB  10          1HB1      AIB  10  -0.036  -2.283   3.471
   80   2HB1  AIB  10          2HB1      AIB  10   0.743  -1.228   4.654
   81   3HB1  AIB  10          3HB1      AIB  10  -0.807  -0.775   3.943
   82   1HB2  AIB  10          1HB2      AIB  10  -0.153   1.421   3.047
   83   2HB2  AIB  10          2HB2      AIB  10   1.344   1.207   3.978
   84   3HB2  AIB  10          3HB2      AIB  10   1.424   1.671   2.280
   85    HA   HYP  11           HA       HYP  11   4.785  -2.511   2.436
   86   1HB   HYP  11          1HB       HYP  11   4.700  -4.682   0.722
   87   2HB   HYP  11          2HB       HYP  11   4.192  -4.749   2.414
   88   1HD   HYP  11          1HD       HYP  11   0.877  -3.122   1.273
   89   2HD   HYP  11          2HD       HYP  11   1.480  -3.803   2.823
   90    HOD  HYP  11           HD1      HYP  11   1.774  -5.701   2.321
   91    HG   HYP  11           HG       HYP  11   2.423  -4.336  -0.047
   92    H    GLN  12           H        GLN  12   3.021  -1.065  -0.158
   93    HA   GLN  12           HA       GLN  12   5.545  -0.784  -1.808
   94   1HB   GLN  12          1HB       GLN  12   2.685   0.041  -2.626
   95   2HB   GLN  12          2HB       GLN  12   4.128   0.140  -3.617
   96   1HG   GLN  12          1HG       GLN  12   4.317  -2.439  -3.438
   97   2HG   GLN  12          2HG       GLN  12   2.766  -2.404  -2.593
   98   1HE2  GLN  12          1HE2      GLN  12   1.061  -2.491  -5.754
   99   2HE2  GLN  12          2HE2      GLN  12   1.140  -2.937  -3.966
  100   2HN   AIB  13          HN        AIB  13   4.507   0.660   0.748
  101   1HB1  AIB  13          1HB1      AIB  13   4.416   2.088   2.641
  102   2HB1  AIB  13          2HB1      AIB  13   5.503   3.483   2.804
  103   3HB1  AIB  13          3HB1      AIB  13   3.976   3.589   1.906
  104   1HB2  AIB  13          1HB2      AIB  13   4.540   4.153  -0.298
  105   2HB2  AIB  13          2HB2      AIB  13   6.031   4.700   0.523
  106   3HB2  AIB  13          3HB2      AIB  13   6.138   3.776  -0.981
  107    HA   HYP  14           HA       HYP  14   9.422   1.262   2.327
  108   1HB   HYP  14          1HB       HYP  14   9.277  -1.503   3.006
  109   2HB   HYP  14          2HB       HYP  14   9.158  -0.106   4.081
  110   1HD   HYP  14          1HD       HYP  14   5.729  -0.344   1.946
  111   2HD   HYP  14          2HD       HYP  14   5.882   0.810   3.259
  112    HOD  HYP  14           HD1      HYP  14   7.167   0.081   5.064
  113    HG   HYP  14           HG       HYP  14   6.990  -1.898   3.042
  114   2HN   AIB  15          HN        AIB  15   7.819  -0.946  -0.051
  115   1HB1  AIB  15          1HB1      AIB  15   7.481  -1.924  -2.324
  116   2HB1  AIB  15          2HB1      AIB  15   8.739  -2.995  -2.941
  117   3HB1  AIB  15          3HB1      AIB  15   7.960  -3.325  -1.378
  118   1HB2  AIB  15          1HB2      AIB  15  10.071  -3.413  -0.046
  119   2HB2  AIB  15          2HB2      AIB  15  10.896  -3.337  -1.631
  120   3HB2  AIB  15          3HB2      AIB  15  11.367  -2.238  -0.330
  121    HA   PRO  16           HA       PRO  16  10.942   1.242  -4.108
  122   1HB   PRO  16          1HB       PRO  16   9.437   3.586  -3.993
  123   2HB   PRO  16          2HB       PRO  16   9.081   2.223  -5.058
  124   1HG   PRO  16          1HG       PRO  16   7.754   2.992  -2.462
  125   2HG   PRO  16          2HG       PRO  16   7.022   2.239  -3.890
  126   1HD   PRO  16          1HD       PRO  16   7.840   0.948  -1.485
  127   2HD   PRO  16          2HD       PRO  16   7.425   0.080  -2.944
  128    H1   PHL  17           H1       PHL  17  12.612   1.935   0.879
  129    H2   PHL  17           H2       PHL  17  11.154   2.484   1.709
  130    HO   PHL  17           HO       PHL  17  13.639   3.235   2.054
  131    HA   PHL  17           HA       PHL  17  12.455   3.977  -0.642
  132   2HN   PHL  17          2HN       PHL  17   9.988   2.108  -0.848
  133   1HB   PHL  17          1HB       PHL  17   9.710   4.307   0.659
  134   2HB   PHL  17          2HB       PHL  17  11.055   5.422   0.830
  135    HD1  PHL  17           HD1      PHL  17   7.991   5.207  -0.702
  136    HD2  PHL  17           HD2      PHL  17  12.050   6.047  -1.820
  137    HE1  PHL  17           HE1      PHL  17   7.195   6.400  -2.700
  138    HE2  PHL  17           HE2      PHL  17  11.244   7.239  -3.817
  139    HZ   PHL  17           HZ       PHL  17   8.820   7.412  -4.265
  Start of MODEL   14
    1   1H    ACE   1          H1        ACE   1 -13.462  -2.432  -1.749
    2   2H    ACE   1          H2        ACE   1 -12.068  -3.384  -2.315
    3   3H    ACE   1          H3        ACE   1 -12.484  -3.377  -0.584
    4    H    TRP   2           H        TRP   2 -12.901  -0.773  -0.060
    5    HA   TRP   2           HA       TRP   2 -10.630   0.938  -0.980
    6   1HB   TRP   2          1HB       TRP   2 -13.186   1.499   0.228
    7   2HB   TRP   2          2HB       TRP   2 -12.064   1.945   1.463
    8    HD1  TRP   2           HD1      TRP   2 -13.037   2.745  -2.221
    9    HE1  TRP   2           HE1      TRP   2 -12.467   5.246  -2.834
   10    HE3  TRP   2           HE3      TRP   2 -10.401   3.794   2.030
   11    HZ2  TRP   2           HZ2      TRP   2 -11.059   7.323  -1.462
   12    HZ3  TRP   2           HZ3      TRP   2  -9.517   6.083   2.346
   13    HH2  TRP   2           HH2      TRP   2  -9.844   7.816   0.633
   14    H    ILE   3           H        ILE   3 -11.425  -0.692   2.108
   15    HA   ILE   3           HA       ILE   3  -8.744  -0.155   3.248
   16    HB   ILE   3           HB       ILE   3 -10.654  -0.448   4.764
   17   1HG1  ILE   3          1HG1      ILE   3  -8.475  -2.563   5.263
   18   2HG1  ILE   3          2HG1      ILE   3  -8.313  -0.837   5.534
   19   1HG2  ILE   3          1HG2      ILE   3 -10.758  -3.442   4.007
   20   2HG2  ILE   3          2HG2      ILE   3 -11.725  -2.627   5.264
   21   3HG2  ILE   3          3HG2      ILE   3 -11.968  -2.216   3.563
   22   1HD1  ILE   3          1HD1      ILE   3 -10.196  -2.722   7.086
   23   2HD1  ILE   3          2HD1      ILE   3  -8.726  -1.922   7.674
   24   3HD1  ILE   3          3HD1      ILE   3 -10.166  -0.946   7.294
   25    H    GLN   4           H        GLN   4 -10.023  -2.889   1.349
   26    HA   GLN   4           HA       GLN   4  -7.565  -4.499   1.450
   27   1HB   GLN   4          1HB       GLN   4  -9.891  -5.204   0.449
   28   2HB   GLN   4          2HB       GLN   4  -9.441  -4.303  -0.988
   29   1HG   GLN   4          1HG       GLN   4  -7.227  -5.840  -0.938
   30   2HG   GLN   4          2HG       GLN   4  -8.101  -6.805   0.235
   31   1HE2  GLN   4          1HE2      GLN   4  -9.722  -8.537  -2.474
   32   2HE2  GLN   4          2HE2      GLN   4  -9.210  -8.481  -0.714
   33   2HN   DIV   5          HN        DIV   5  -8.441  -1.730  -0.669
   34   1HB1  DIV   5          1HB1      DIV   5  -5.313  -1.550  -3.382
   35   2HB1  DIV   5          2HB1      DIV   5  -5.548  -2.995  -2.500
   36   1HG1  DIV   5          1HG1      DIV   5  -7.505  -1.843  -4.577
   37   2HG1  DIV   5          2HG1      DIV   5  -6.548  -3.328  -4.676
   38   3HG1  DIV   5          3HG1      DIV   5  -7.903  -3.232  -3.525
   39   1HB2  DIV   5          1HB2      DIV   5  -7.966   0.529  -1.512
   40   2HB2  DIV   5          2HB2      DIV   5  -6.868   0.637  -2.900
   41   3HB2  DIV   5          3HB2      DIV   5  -8.287  -0.419  -2.960
   42    H    ILE   6           H        ILE   6  -6.728   0.131   0.477
   43    HA   ILE   6           HA       ILE   6  -3.953   1.167   0.602
   44    HB   ILE   6           HB       ILE   6  -6.101   1.105   2.779
   45   1HG1  ILE   6          1HG1      ILE   6  -6.909   2.482   0.941
   46   2HG1  ILE   6          2HG1      ILE   6  -6.520   3.483   2.309
   47   1HG2  ILE   6          1HG2      ILE   6  -3.448   2.667   2.819
   48   2HG2  ILE   6          2HG2      ILE   6  -4.818   2.972   3.913
   49   3HG2  ILE   6          3HG2      ILE   6  -3.990   1.413   3.959
   50   1HD1  ILE   6          1HD1      ILE   6  -4.776   3.213  -0.234
   51   2HD1  ILE   6          2HD1      ILE   6  -5.823   4.581   0.199
   52   3HD1  ILE   6          3HD1      ILE   6  -4.373   4.238   1.167
   53    H    THR   7           H        THR   7  -5.317  -1.867   1.741
   54    HA   THR   7           HA       THR   7  -2.930  -2.625   3.344
   55    HB   THR   7           HB       THR   7  -5.239  -4.336   2.314
   56    HG1  THR   7           HG1      THR   7  -5.541  -2.624   3.891
   57   1HG2  THR   7          1HG2      THR   7  -4.581  -5.999   4.078
   58   2HG2  THR   7          2HG2      THR   7  -3.355  -5.893   2.798
   59   3HG2  THR   7          3HG2      THR   7  -3.062  -5.113   4.375
   60   2HN   AIB   8          HN        AIB   8  -3.902  -3.420  -0.011
   61   1HB1  AIB   8          1HB1      AIB   8  -3.292  -3.092  -2.480
   62   2HB1  AIB   8          2HB1      AIB   8  -2.196  -4.314  -3.140
   63   3HB1  AIB   8          3HB1      AIB   8  -3.620  -4.817  -2.203
   64   1HB2  AIB   8          1HB2      AIB   8  -2.086  -6.217  -0.679
   65   2HB2  AIB   8          2HB2      AIB   8  -0.684  -5.693  -1.636
   66   3HB2  AIB   8          3HB2      AIB   8  -0.682  -5.472   0.116
   67    H    LEU   9           H        LEU   9  -2.225  -1.500  -0.742
   68    HA   LEU   9           HA       LEU   9   0.415  -0.614  -1.866
   69   1HB   LEU   9          1HB       LEU   9  -2.047   0.869  -0.829
   70   2HB   LEU   9          2HB       LEU   9  -0.590   1.713  -1.289
   71    HG   LEU   9           HG       LEU   9  -1.960  -0.192  -3.273
   72   1HD1  LEU   9          1HD1      LEU   9  -2.579   2.807  -2.966
   73   2HD1  LEU   9          2HD1      LEU   9  -3.122   1.754  -4.297
   74   3HD1  LEU   9          3HD1      LEU   9  -3.701   1.459  -2.651
   75   1HD2  LEU   9          1HD2      LEU   9   0.409   0.516  -3.822
   76   2HD2  LEU   9          2HD2      LEU   9  -0.752   1.157  -4.994
   77   3HD2  LEU   9          3HD2      LEU   9  -0.082   2.219  -3.728
   78   2HN   AIB  10          HN        AIB  10  -0.598  -1.411   1.358
   79   1HB1  AIB  10          1HB1      AIB  10   0.070  -2.541   3.508
   80   2HB1  AIB  10          2HB1      AIB  10   0.826  -1.523   4.734
   81   3HB1  AIB  10          3HB1      AIB  10  -0.725  -1.059   4.016
   82   1HB2  AIB  10          1HB2      AIB  10  -0.026   1.184   3.289
   83   2HB2  AIB  10          2HB2      AIB  10   1.494   0.901   4.168
   84   3HB2  AIB  10          3HB2      AIB  10   1.530   1.469   2.497
   85    HA   HYP  11           HA       HYP  11   4.893  -2.676   2.292
   86   1HB   HYP  11          1HB       HYP  11   4.729  -4.768   0.467
   87   2HB   HYP  11          2HB       HYP  11   4.392  -4.903   2.193
   88   1HD   HYP  11          1HD       HYP  11   0.932  -3.325   1.324
   89   2HD   HYP  11          2HD       HYP  11   1.626  -4.005   2.834
   90    HOD  HYP  11           HD1      HYP  11   1.271  -5.959   1.500
   91    HG   HYP  11           HG       HYP  11   2.381  -4.524  -0.084
   92    H    GLN  12           H        GLN  12   3.027  -1.105  -0.135
   93    HA   GLN  12           HA       GLN  12   5.493  -0.691  -1.836
   94   1HB   GLN  12          1HB       GLN  12   2.612   0.182  -2.515
   95   2HB   GLN  12          2HB       GLN  12   4.030   0.338  -3.527
   96   1HG   GLN  12          1HG       GLN  12   4.216  -2.239  -3.535
   97   2HG   GLN  12          2HG       GLN  12   2.683  -2.269  -2.657
   98   1HE2  GLN  12          1HE2      GLN  12   0.911  -2.063  -5.789
   99   2HE2  GLN  12          2HE2      GLN  12   0.976  -2.623  -4.037
  100   2HN   AIB  13          HN        AIB  13   4.521   0.573   0.861
  101   1HB1  AIB  13          1HB1      AIB  13   4.514   1.866   2.837
  102   2HB1  AIB  13          2HB1      AIB  13   5.567   3.283   3.036
  103   3HB1  AIB  13          3HB1      AIB  13   4.010   3.396   2.193
  104   1HB2  AIB  13          1HB2      AIB  13   4.529   4.107  -0.017
  105   2HB2  AIB  13          2HB2      AIB  13   6.014   4.630   0.827
  106   3HB2  AIB  13          3HB2      AIB  13   6.128   3.789  -0.724
  107    HA   HYP  14           HA       HYP  14   9.523   1.116   2.306
  108   1HB   HYP  14          1HB       HYP  14   9.420  -1.675   2.823
  109   2HB   HYP  14          2HB       HYP  14   9.302  -0.354   3.995
  110   1HD   HYP  14          1HD       HYP  14   5.841  -0.521   1.912
  111   2HD   HYP  14          2HD       HYP  14   5.979   0.529   3.312
  112    HOD  HYP  14           HD1      HYP  14   7.295  -0.262   5.026
  113    HG   HYP  14           HG       HYP  14   7.154  -2.123   2.888
  114   2HN   AIB  15          HN        AIB  15   7.825  -0.951  -0.139
  115   1HB1  AIB  15          1HB1      AIB  15   7.434  -1.785  -2.474
  116   2HB1  AIB  15          2HB1      AIB  15   8.684  -2.809  -3.185
  117   3HB1  AIB  15          3HB1      AIB  15   7.941  -3.244  -1.631
  118   1HB2  AIB  15          1HB2      AIB  15  10.092  -3.409  -0.377
  119   2HB2  AIB  15          2HB2      AIB  15  10.869  -3.214  -1.974
  120   3HB2  AIB  15          3HB2      AIB  15  11.373  -2.204  -0.613
  121    HA   PRO  16           HA       PRO  16  10.788   1.516  -4.152
  122   1HB   PRO  16          1HB       PRO  16   9.278   3.835  -3.863
  123   2HB   PRO  16          2HB       PRO  16   8.863   2.516  -4.966
  124   1HG   PRO  16          1HG       PRO  16   7.703   3.145  -2.250
  125   2HG   PRO  16          2HG       PRO  16   6.876   2.505  -3.682
  126   1HD   PRO  16          1HD       PRO  16   7.782   1.010  -1.436
  127   2HD   PRO  16          2HD       PRO  16   7.338   0.261  -2.951
  128    H1   PHL  17           H1       PHL  17  12.658   1.881   0.747
  129    H2   PHL  17           H2       PHL  17  11.288   2.421   1.732
  130    HO   PHL  17           HO       PHL  17  13.702   3.840   1.259
  131    HA   PHL  17           HA       PHL  17  12.428   4.038  -0.614
  132   2HN   PHL  17          2HN       PHL  17   9.973   2.159  -0.803
  133   1HB   PHL  17          1HB       PHL  17   9.766   4.230   0.882
  134   2HB   PHL  17          2HB       PHL  17  11.109   5.355   1.041
  135    HD1  PHL  17           HD1      PHL  17   7.964   5.226  -0.264
  136    HD2  PHL  17           HD2      PHL  17  11.926   6.172  -1.633
  137    HE1  PHL  17           HE1      PHL  17   7.018   6.590  -2.074
  138    HE2  PHL  17           HE2      PHL  17  10.965   7.546  -3.433
  139    HZ   PHL  17           HZ       PHL  17   8.513   7.774  -3.649
  Start of MODEL   15
    1   1H    ACE   1          H1        ACE   1 -13.303  -2.647  -1.660
    2   2H    ACE   1          H2        ACE   1 -11.792  -3.475  -2.131
    3   3H    ACE   1          H3        ACE   1 -12.307  -3.475  -0.424
    4    H    TRP   2           H        TRP   2 -12.828  -1.080   0.278
    5    HA   TRP   2           HA       TRP   2 -10.810   0.945  -0.602
    6   1HB   TRP   2          1HB       TRP   2 -11.656   2.179   1.665
    7   2HB   TRP   2          2HB       TRP   2 -12.404   2.298   0.123
    8    HD1  TRP   2           HD1      TRP   2 -12.952   0.047   3.354
    9    HE1  TRP   2           HE1      TRP   2 -15.507  -0.543   3.618
   10    HE3  TRP   2           HE3      TRP   2 -14.554   2.497  -0.843
   11    HZ2  TRP   2           HZ2      TRP   2 -17.828   0.065   2.058
   12    HZ3  TRP   2           HZ3      TRP   2 -16.952   2.438  -1.413
   13    HH2  TRP   2           HH2      TRP   2 -18.566   1.241   0.009
   14    H    ILE   3           H        ILE   3 -11.273  -0.620   2.570
   15    HA   ILE   3           HA       ILE   3  -8.428  -0.197   3.223
   16    HB   ILE   3           HB       ILE   3 -10.080  -0.243   5.002
   17   1HG1  ILE   3          1HG1      ILE   3  -8.062  -2.449   5.661
   18   2HG1  ILE   3          2HG1      ILE   3  -7.505  -0.838   5.272
   19   1HG2  ILE   3          1HG2      ILE   3 -10.293  -3.306   4.662
   20   2HG2  ILE   3          2HG2      ILE   3 -10.948  -2.364   6.018
   21   3HG2  ILE   3          3HG2      ILE   3 -11.593  -2.118   4.389
   22   1HD1  ILE   3          1HD1      ILE   3  -9.466  -1.396   7.589
   23   2HD1  ILE   3          2HD1      ILE   3  -7.708  -1.155   7.729
   24   3HD1  ILE   3          3HD1      ILE   3  -8.739   0.177   7.160
   25    H    GLN   4           H        GLN   4  -9.913  -2.931   1.569
   26    HA   GLN   4           HA       GLN   4  -7.446  -4.575   1.543
   27   1HB   GLN   4          1HB       GLN   4  -9.841  -4.473  -0.373
   28   2HB   GLN   4          2HB       GLN   4  -8.415  -5.424  -0.748
   29   1HG   GLN   4          1HG       GLN   4  -8.589  -6.714   1.364
   30   2HG   GLN   4          2HG       GLN   4  -9.999  -5.791   1.865
   31   1HE2  GLN   4          1HE2      GLN   4 -11.384  -8.915   0.477
   32   2HE2  GLN   4          2HE2      GLN   4 -10.437  -8.306   1.923
   33   2HN   DIV   5          HN        DIV   5  -8.500  -1.886  -0.654
   34   1HB1  DIV   5          1HB1      DIV   5  -5.432  -1.649  -3.429
   35   2HB1  DIV   5          2HB1      DIV   5  -5.612  -3.101  -2.532
   36   1HG1  DIV   5          1HG1      DIV   5  -7.671  -1.963  -4.517
   37   2HG1  DIV   5          2HG1      DIV   5  -6.686  -3.428  -4.675
   38   3HG1  DIV   5          3HG1      DIV   5  -7.995  -3.369  -3.464
   39   1HB2  DIV   5          1HB2      DIV   5  -8.015   0.424  -1.485
   40   2HB2  DIV   5          2HB2      DIV   5  -6.955   0.527  -2.895
   41   3HB2  DIV   5          3HB2      DIV   5  -8.372  -0.525  -2.920
   42    H    ILE   6           H        ILE   6  -6.721   0.094   0.416
   43    HA   ILE   6           HA       ILE   6  -3.964   1.159   0.375
   44    HB   ILE   6           HB       ILE   6  -5.933   1.226   2.716
   45   1HG1  ILE   6          1HG1      ILE   6  -5.404   3.516   0.703
   46   2HG1  ILE   6          2HG1      ILE   6  -6.727   2.398   0.490
   47   1HG2  ILE   6          1HG2      ILE   6  -3.383   2.910   2.204
   48   2HG2  ILE   6          2HG2      ILE   6  -4.558   3.241   3.494
   49   3HG2  ILE   6          3HG2      ILE   6  -3.635   1.746   3.524
   50   1HD1  ILE   6          1HD1      ILE   6  -6.468   4.259   2.920
   51   2HD1  ILE   6          2HD1      ILE   6  -7.587   4.411   1.549
   52   3HD1  ILE   6          3HD1      ILE   6  -7.755   3.046   2.679
   53    H    THR   7           H        THR   7  -5.250  -1.826   1.675
   54    HA   THR   7           HA       THR   7  -2.792  -2.469   3.249
   55    HB   THR   7           HB       THR   7  -5.161  -4.235   2.475
   56    HG1  THR   7           HG1      THR   7  -5.470  -2.526   3.964
   57   1HG2  THR   7          1HG2      THR   7  -4.375  -5.801   4.280
   58   2HG2  THR   7          2HG2      THR   7  -3.272  -5.787   2.890
   59   3HG2  THR   7          3HG2      THR   7  -2.828  -4.926   4.388
   60   2HN   AIB   8          HN        AIB   8  -3.895  -3.375  -0.037
   61   1HB1  AIB   8          1HB1      AIB   8  -3.349  -3.132  -2.512
   62   2HB1  AIB   8          2HB1      AIB   8  -2.306  -4.393  -3.181
   63   3HB1  AIB   8          3HB1      AIB   8  -3.721  -4.843  -2.202
   64   1HB2  AIB   8          1HB2      AIB   8  -2.214  -6.251  -0.664
   65   2HB2  AIB   8          2HB2      AIB   8  -0.818  -5.811  -1.671
   66   3HB2  AIB   8          3HB2      AIB   8  -0.764  -5.542   0.075
   67    H    LEU   9           H        LEU   9  -2.197  -1.548  -0.906
   68    HA   LEU   9           HA       LEU   9   0.496  -0.792  -2.045
   69   1HB   LEU   9          1HB       LEU   9  -2.004   0.773  -1.251
   70   2HB   LEU   9          2HB       LEU   9  -0.523   1.578  -1.694
   71    HG   LEU   9           HG       LEU   9  -1.684  -0.513  -3.618
   72   1HD1  LEU   9          1HD1      LEU   9  -2.609   2.414  -3.518
   73   2HD1  LEU   9          2HD1      LEU   9  -2.942   1.250  -4.826
   74   3HD1  LEU   9          3HD1      LEU   9  -3.601   0.968  -3.208
   75   1HD2  LEU   9          1HD2      LEU   9   0.649   0.360  -4.061
   76   2HD2  LEU   9          2HD2      LEU   9  -0.482   0.826  -5.346
   77   3HD2  LEU   9          3HD2      LEU   9   0.013   2.018  -4.115
   78   2HN   AIB  10          HN        AIB  10  -0.571  -1.419   1.160
   79   1HB1  AIB  10          1HB1      AIB  10  -0.046  -2.324   3.413
   80   2HB1  AIB  10          2HB1      AIB  10   0.729  -1.258   4.593
   81   3HB1  AIB  10          3HB1      AIB  10  -0.809  -0.797   3.844
   82   1HB2  AIB  10          1HB2      AIB  10  -0.124   1.369   2.919
   83   2HB2  AIB  10          2HB2      AIB  10   1.360   1.161   3.884
   84   3HB2  AIB  10          3HB2      AIB  10   1.466   1.603   2.177
   85    HA   HYP  11           HA       HYP  11   4.842  -2.544   2.410
   86   1HB   HYP  11          1HB       HYP  11   4.762  -4.752   0.749
   87   2HB   HYP  11          2HB       HYP  11   4.274  -4.775   2.448
   88   1HD   HYP  11          1HD       HYP  11   0.929  -3.223   1.271
   89   2HD   HYP  11          2HD       HYP  11   1.524  -3.855   2.849
   90    HOD  HYP  11           HD1      HYP  11   1.580  -5.757   2.220
   91    HG   HYP  11           HG       HYP  11   2.468  -4.451  -0.009
   92    H    GLN  12           H        GLN  12   3.045  -1.142  -0.181
   93    HA   GLN  12           HA       GLN  12   5.563  -0.818  -1.825
   94   1HB   GLN  12          1HB       GLN  12   2.707  -0.010  -2.671
   95   2HB   GLN  12          2HB       GLN  12   4.165   0.064  -3.635
   96   1HG   GLN  12          1HG       GLN  12   4.342  -2.503  -3.439
   97   2HG   GLN  12          2HG       GLN  12   2.774  -2.469  -2.629
   98   1HE2  GLN  12          1HE2      GLN  12   1.121  -2.536  -5.816
   99   2HE2  GLN  12          2HE2      GLN  12   1.154  -2.962  -4.028
  100   2HN   AIB  13          HN        AIB  13   4.502   0.608   0.745
  101   1HB1  AIB  13          1HB1      AIB  13   4.381   2.055   2.622
  102   2HB1  AIB  13          2HB1      AIB  13   5.427   3.484   2.766
  103   3HB1  AIB  13          3HB1      AIB  13   3.908   3.535   1.850
  104   1HB2  AIB  13          1HB2      AIB  13   4.505   4.085  -0.372
  105   2HB2  AIB  13          2HB2      AIB  13   5.966   4.676   0.470
  106   3HB2  AIB  13          3HB2      AIB  13   6.127   3.721  -1.003
  107    HA   HYP  14           HA       HYP  14   9.423   1.329   2.346
  108   1HB   HYP  14          1HB       HYP  14   9.316  -1.424   3.071
  109   2HB   HYP  14          2HB       HYP  14   9.146  -0.018   4.129
  110   1HD   HYP  14          1HD       HYP  14   5.780  -0.384   1.922
  111   2HD   HYP  14          2HD       HYP  14   5.834   0.773   3.238
  112    HOD  HYP  14           HD1      HYP  14   7.108   0.155   5.067
  113    HG   HYP  14           HG       HYP  14   7.048  -1.883   3.097
  114   2HN   AIB  15          HN        AIB  15   7.846  -0.945  -0.005
  115   1HB1  AIB  15          1HB1      AIB  15   7.545  -1.954  -2.270
  116   2HB1  AIB  15          2HB1      AIB  15   8.838  -3.006  -2.866
  117   3HB1  AIB  15          3HB1      AIB  15   8.054  -3.335  -1.304
  118   1HB2  AIB  15          1HB2      AIB  15  10.176  -3.365   0.030
  119   2HB2  AIB  15          2HB2      AIB  15  10.981  -3.293  -1.560
  120   3HB2  AIB  15          3HB2      AIB  15  11.440  -2.162  -0.280
  121    HA   PRO  16           HA       PRO  16  10.895   1.260  -4.106
  122   1HB   PRO  16          1HB       PRO  16   9.345   3.574  -4.032
  123   2HB   PRO  16          2HB       PRO  16   8.997   2.177  -5.060
  124   1HG   PRO  16          1HG       PRO  16   7.706   2.975  -2.455
  125   2HG   PRO  16          2HG       PRO  16   6.963   2.194  -3.861
  126   1HD   PRO  16          1HD       PRO  16   7.829   0.929  -1.452
  127   2HD   PRO  16          2HD       PRO  16   7.423   0.042  -2.905
  128    H1   PHL  17           H1       PHL  17  12.612   1.939   0.809
  129    H2   PHL  17           H2       PHL  17  11.204   2.537   1.701
  130    HO   PHL  17           HO       PHL  17  13.632   3.938   1.251
  131    HA   PHL  17           HA       PHL  17  12.436   4.010  -0.692
  132   2HN   PHL  17          2HN       PHL  17   9.973   2.143  -0.840
  133   1HB   PHL  17          1HB       PHL  17   9.726   4.312   0.709
  134   2HB   PHL  17          2HB       PHL  17  11.078   5.426   0.852
  135    HD1  PHL  17           HD1      PHL  17  12.010   6.186  -1.729
  136    HD2  PHL  17           HD2      PHL  17   7.989   5.105  -0.681
  137    HE1  PHL  17           HE1      PHL  17  11.156   7.435  -3.677
  138    HE2  PHL  17           HE2      PHL  17   7.148   6.345  -2.629
  139    HZ   PHL  17           HZ       PHL  17   8.727   7.524  -4.123
  Start of MODEL   16
    1   1H    ACE   1          H1        ACE   1 -13.661  -2.459  -1.282
    2   2H    ACE   1          H2        ACE   1 -12.352  -3.482  -1.922
    3   3H    ACE   1          H3        ACE   1 -12.658  -3.441  -0.169
    4    H    TRP   2           H        TRP   2 -12.979  -0.722   0.212
    5    HA   TRP   2           HA       TRP   2 -10.694   0.839  -0.866
    6   1HB   TRP   2          1HB       TRP   2 -12.193   1.692   1.644
    7   2HB   TRP   2          2HB       TRP   2 -11.292   2.684   0.525
    8    HD1  TRP   2           HD1      TRP   2 -12.853   1.703  -2.278
    9    HE1  TRP   2           HE1      TRP   2 -15.344   2.453  -2.740
   10    HE3  TRP   2           HE3      TRP   2 -13.997   2.905   2.552
   11    HZ2  TRP   2           HZ2      TRP   2 -17.427   3.459  -1.051
   12    HZ3  TRP   2           HZ3      TRP   2 -16.248   3.769   3.069
   13    HH2  TRP   2           HH2      TRP   2 -17.937   4.047   1.298
   14    H    ILE   3           H        ILE   3 -11.295  -0.692   2.321
   15    HA   ILE   3           HA       ILE   3  -8.599  -0.003   3.337
   16    HB   ILE   3           HB       ILE   3 -10.460  -2.134   4.556
   17   1HG1  ILE   3          1HG1      ILE   3 -10.849  -0.152   6.348
   18   2HG1  ILE   3          2HG1      ILE   3 -10.474   0.908   5.010
   19   1HG2  ILE   3          1HG2      ILE   3  -8.127  -0.583   5.847
   20   2HG2  ILE   3          2HG2      ILE   3  -9.198  -1.743   6.674
   21   3HG2  ILE   3          3HG2      ILE   3  -8.123  -2.305   5.393
   22   1HD1  ILE   3          1HD1      ILE   3 -12.749  -1.207   5.077
   23   2HD1  ILE   3          2HD1      ILE   3 -12.940   0.534   5.366
   24   3HD1  ILE   3          3HD1      ILE   3 -12.486  -0.043   3.753
   25    H    GLN   4           H        GLN   4  -9.933  -2.932   1.791
   26    HA   GLN   4           HA       GLN   4  -7.475  -4.529   1.758
   27   1HB   GLN   4          1HB       GLN   4  -9.927  -4.371  -0.085
   28   2HB   GLN   4          2HB       GLN   4  -8.570  -5.328  -0.574
   29   1HG   GLN   4          1HG       GLN   4  -9.489  -5.887   2.268
   30   2HG   GLN   4          2HG       GLN   4 -10.674  -6.216   1.027
   31   1HE2  GLN   4          1HE2      GLN   4  -8.981  -9.211  -0.045
   32   2HE2  GLN   4          2HE2      GLN   4 -10.448  -8.113  -0.132
   33   2HN   DIV   5          HN        DIV   5  -8.472  -1.863  -0.469
   34   1HB1  DIV   5          1HB1      DIV   5  -5.466  -1.796  -3.323
   35   2HB1  DIV   5          2HB1      DIV   5  -5.665  -3.221  -2.389
   36   1HG1  DIV   5          1HG1      DIV   5  -7.732  -2.096  -4.375
   37   2HG1  DIV   5          2HG1      DIV   5  -6.762  -3.574  -4.527
   38   3HG1  DIV   5          3HG1      DIV   5  -8.050  -3.482  -3.294
   39   1HB2  DIV   5          1HB2      DIV   5  -7.954   0.398  -1.411
   40   2HB2  DIV   5          2HB2      DIV   5  -7.006   0.360  -2.903
   41   3HB2  DIV   5          3HB2      DIV   5  -8.455  -0.649  -2.734
   42    H    ILE   6           H        ILE   6  -6.699  -0.003   0.525
   43    HA   ILE   6           HA       ILE   6  -3.957   1.106   0.500
   44    HB   ILE   6           HB       ILE   6  -5.944   0.987   2.829
   45   1HG1  ILE   6          1HG1      ILE   6  -5.408   3.473   1.076
   46   2HG1  ILE   6          2HG1      ILE   6  -6.664   2.342   0.650
   47   1HG2  ILE   6          1HG2      ILE   6  -3.394   2.711   2.494
   48   2HG2  ILE   6          2HG2      ILE   6  -4.600   2.959   3.777
   49   3HG2  ILE   6          3HG2      ILE   6  -3.678   1.460   3.725
   50   1HD1  ILE   6          1HD1      ILE   6  -6.630   3.866   3.324
   51   2HD1  ILE   6          2HD1      ILE   6  -7.638   4.212   1.906
   52   3HD1  ILE   6          3HD1      ILE   6  -7.868   2.694   2.804
   53    H    THR   7           H        THR   7  -5.221  -1.938   1.693
   54    HA   THR   7           HA       THR   7  -2.825  -2.615   3.341
   55    HB   THR   7           HB       THR   7  -5.167  -4.359   2.433
   56    HG1  THR   7           HG1      THR   7  -5.446  -2.568   3.919
   57   1HG2  THR   7          1HG2      THR   7  -4.491  -5.938   4.260
   58   2HG2  THR   7          2HG2      THR   7  -3.267  -5.886   2.975
   59   3HG2  THR   7          3HG2      THR   7  -2.978  -5.027   4.512
   60   2HN   AIB   8          HN        AIB   8  -3.908  -3.534   0.053
   61   1HB1  AIB   8          1HB1      AIB   8  -3.371  -3.195  -2.428
   62   2HB1  AIB   8          2HB1      AIB   8  -2.300  -4.422  -3.122
   63   3HB1  AIB   8          3HB1      AIB   8  -3.702  -4.919  -2.150
   64   1HB2  AIB   8          1HB2      AIB   8  -2.173  -6.323  -0.643
   65   2HB2  AIB   8          2HB2      AIB   8  -0.787  -5.840  -1.647
   66   3HB2  AIB   8          3HB2      AIB   8  -0.730  -5.604   0.105
   67    H    LEU   9           H        LEU   9  -2.219  -1.602  -0.756
   68    HA   LEU   9           HA       LEU   9   0.433  -0.794  -1.922
   69   1HB   LEU   9          1HB       LEU   9  -2.017   0.746  -0.941
   70   2HB   LEU   9          2HB       LEU   9  -0.555   1.560  -1.424
   71    HG   LEU   9           HG       LEU   9  -1.864  -0.418  -3.368
   72   1HD1  LEU   9          1HD1      LEU   9  -2.674   2.539  -3.104
   73   2HD1  LEU   9          2HD1      LEU   9  -3.166   1.416  -4.403
   74   3HD1  LEU   9          3HD1      LEU   9  -3.695   1.127  -2.740
   75   1HD2  LEU   9          1HD2      LEU   9   0.462   0.411  -3.910
   76   2HD2  LEU   9          2HD2      LEU   9  -0.729   0.950  -5.109
   77   3HD2  LEU   9          3HD2      LEU   9  -0.127   2.088  -3.873
   78   2HN   AIB  10          HN        AIB  10  -0.541  -1.537   1.292
   79   1HB1  AIB  10          1HB1      AIB  10   0.089  -2.546   3.490
   80   2HB1  AIB  10          2HB1      AIB  10   0.832  -1.489   4.688
   81   3HB1  AIB  10          3HB1      AIB  10  -0.721  -1.058   3.955
   82   1HB2  AIB  10          1HB2      AIB  10  -0.047   1.173   3.144
   83   2HB2  AIB  10          2HB2      AIB  10   1.460   0.934   4.057
   84   3HB2  AIB  10          3HB2      AIB  10   1.521   1.442   2.367
   85    HA   HYP  11           HA       HYP  11   4.923  -2.649   2.353
   86   1HB   HYP  11          1HB       HYP  11   4.848  -4.800   0.612
   87   2HB   HYP  11          2HB       HYP  11   4.437  -4.886   2.324
   88   1HD   HYP  11          1HD       HYP  11   0.997  -3.383   1.289
   89   2HD   HYP  11          2HD       HYP  11   1.639  -4.029   2.830
   90    HOD  HYP  11           HD1      HYP  11   1.430  -5.951   1.804
   91    HG   HYP  11           HG       HYP  11   2.514  -4.607  -0.038
   92    H    GLN  12           H        GLN  12   3.048  -1.180  -0.136
   93    HA   GLN  12           HA       GLN  12   5.506  -0.778  -1.853
   94   1HB   GLN  12          1HB       GLN  12   2.608   0.062  -2.524
   95   2HB   GLN  12          2HB       GLN  12   4.023   0.215  -3.551
   96   1HG   GLN  12          1HG       GLN  12   4.219  -2.373  -3.497
   97   2HG   GLN  12          2HG       GLN  12   2.679  -2.371  -2.634
   98   1HE2  GLN  12          1HE2      GLN  12   0.967  -2.295  -5.810
   99   2HE2  GLN  12          2HE2      GLN  12   1.039  -2.852  -4.052
  100   2HN   AIB  13          HN        AIB  13   4.490   0.556   0.825
  101   1HB1  AIB  13          1HB1      AIB  13   4.462   1.900   2.782
  102   2HB1  AIB  13          2HB1      AIB  13   5.480   3.347   2.940
  103   3HB1  AIB  13          3HB1      AIB  13   3.920   3.391   2.096
  104   1HB2  AIB  13          1HB2      AIB  13   4.425   4.066  -0.108
  105   2HB2  AIB  13          2HB2      AIB  13   5.910   4.637   0.705
  106   3HB2  AIB  13          3HB2      AIB  13   6.019   3.767  -0.828
  107    HA   HYP  14           HA       HYP  14   9.480   1.271   2.277
  108   1HB   HYP  14          1HB       HYP  14   9.468  -1.503   2.896
  109   2HB   HYP  14          2HB       HYP  14   9.301  -0.137   4.008
  110   1HD   HYP  14          1HD       HYP  14   5.873  -0.513   1.908
  111   2HD   HYP  14          2HD       HYP  14   5.928   0.587   3.267
  112    HOD  HYP  14           HD1      HYP  14   7.323  -0.055   5.025
  113    HG   HYP  14           HG       HYP  14   7.208  -2.023   2.990
  114   2HN   AIB  15          HN        AIB  15   7.855  -0.934  -0.084
  115   1HB1  AIB  15          1HB1      AIB  15   7.481  -1.813  -2.412
  116   2HB1  AIB  15          2HB1      AIB  15   8.752  -2.821  -3.098
  117   3HB1  AIB  15          3HB1      AIB  15   8.022  -3.226  -1.524
  118   1HB2  AIB  15          1HB2      AIB  15  10.179  -3.309  -0.269
  119   2HB2  AIB  15          2HB2      AIB  15  10.947  -3.142  -1.879
  120   3HB2  AIB  15          3HB2      AIB  15  11.432  -2.087  -0.548
  121    HA   PRO  16           HA       PRO  16  10.792   1.496  -4.198
  122   1HB   PRO  16          1HB       PRO  16   9.183   3.772  -4.003
  123   2HB   PRO  16          2HB       PRO  16   8.886   2.419  -5.098
  124   1HG   PRO  16          1HG       PRO  16   7.498   3.084  -2.515
  125   2HG   PRO  16          2HG       PRO  16   6.851   2.248  -3.939
  126   1HD   PRO  16          1HD       PRO  16   7.801   1.071  -1.495
  127   2HD   PRO  16          2HD       PRO  16   7.341   0.175  -2.921
  128    H1   PHL  17           H1       PHL  17  12.749   2.110   0.654
  129    H2   PHL  17           H2       PHL  17  11.255   2.355   1.552
  130    HO   PHL  17           HO       PHL  17  13.441   3.207   2.267
  131    HA   PHL  17           HA       PHL  17  12.331   4.160  -0.688
  132   2HN   PHL  17          2HN       PHL  17   9.906   2.232  -0.890
  133   1HB   PHL  17          1HB       PHL  17   9.623   4.334   0.736
  134   2HB   PHL  17          2HB       PHL  17  10.965   5.439   0.962
  135    HD1  PHL  17           HD1      PHL  17   7.933   5.042  -0.830
  136    HD2  PHL  17           HD2      PHL  17  11.944   6.460  -1.425
  137    HE1  PHL  17           HE1      PHL  17   7.169   6.414  -2.724
  138    HE2  PHL  17           HE2      PHL  17  11.178   7.815  -3.325
  139    HZ   PHL  17           HZ       PHL  17   8.789   7.802  -3.986
  Start of MODEL   17
    1   1H    ACE   1          H1        ACE   1 -13.653  -1.411  -1.825
    2   2H    ACE   1          H2        ACE   1 -12.501  -2.650  -2.381
    3   3H    ACE   1          H3        ACE   1 -13.059  -2.662  -0.691
    4    H    TRP   2           H        TRP   2 -12.862   0.064  -0.132
    5    HA   TRP   2           HA       TRP   2 -10.167   1.126  -0.765
    6   1HB   TRP   2          1HB       TRP   2 -12.516   2.111   0.901
    7   2HB   TRP   2          2HB       TRP   2 -10.967   2.689   1.414
    8    HD1  TRP   2           HD1      TRP   2 -13.543   3.345  -1.299
    9    HE1  TRP   2           HE1      TRP   2 -12.774   5.298  -2.906
   10    HE3  TRP   2           HE3      TRP   2  -8.692   3.529   0.285
   11    HZ2  TRP   2           HZ2      TRP   2 -10.289   6.675  -3.267
   12    HZ3  TRP   2           HZ3      TRP   2  -7.168   5.199  -0.722
   13    HH2  TRP   2           HH2      TRP   2  -7.951   6.741  -2.465
   14    H    ILE   3           H        ILE   3 -11.272  -0.786   2.019
   15    HA   ILE   3           HA       ILE   3  -8.718  -0.261   3.445
   16    HB   ILE   3           HB       ILE   3 -10.715  -2.424   4.311
   17   1HG1  ILE   3          1HG1      ILE   3 -11.310  -0.560   6.160
   18   2HG1  ILE   3          2HG1      ILE   3 -10.773   0.586   4.954
   19   1HG2  ILE   3          1HG2      ILE   3  -8.549  -0.924   5.920
   20   2HG2  ILE   3          2HG2      ILE   3  -9.672  -2.147   6.564
   21   3HG2  ILE   3          3HG2      ILE   3  -8.456  -2.614   5.374
   22   1HD1  ILE   3          1HD1      ILE   3 -13.047  -1.500   4.603
   23   2HD1  ILE   3          2HD1      ILE   3 -13.265   0.221   4.991
   24   3HD1  ILE   3          3HD1      ILE   3 -12.624  -0.249   3.404
   25    H    GLN   4           H        GLN   4  -9.976  -3.068   1.627
   26    HA   GLN   4           HA       GLN   4  -7.487  -4.615   1.668
   27   1HB   GLN   4          1HB       GLN   4  -8.270  -5.763  -0.337
   28   2HB   GLN   4          2HB       GLN   4  -9.444  -5.736   0.947
   29   1HG   GLN   4          1HG       GLN   4 -10.776  -3.963  -0.266
   30   2HG   GLN   4          2HG       GLN   4  -9.571  -3.924  -1.544
   31   1HE2  GLN   4          1HE2      GLN   4 -11.394  -6.490  -3.256
   32   2HE2  GLN   4          2HE2      GLN   4 -10.474  -4.902  -3.292
   33   2HN   DIV   5          HN        DIV   5  -8.458  -1.941  -0.446
   34   1HB1  DIV   5          1HB1      DIV   5  -5.380  -1.643  -3.212
   35   2HB1  DIV   5          2HB1      DIV   5  -5.599  -3.108  -2.368
   36   1HG1  DIV   5          1HG1      DIV   5  -7.643  -1.903  -4.328
   37   2HG1  DIV   5          2HG1      DIV   5  -6.653  -3.359  -4.527
   38   3HG1  DIV   5          3HG1      DIV   5  -7.965  -3.341  -3.321
   39   1HB2  DIV   5          1HB2      DIV   5  -7.921   0.434  -1.221
   40   2HB2  DIV   5          2HB2      DIV   5  -6.890   0.528  -2.656
   41   3HB2  DIV   5          3HB2      DIV   5  -8.338  -0.491  -2.662
   42    H    ILE   6           H        ILE   6  -6.648   0.110   0.624
   43    HA   ILE   6           HA       ILE   6  -3.841   1.029   0.706
   44    HB   ILE   6           HB       ILE   6  -6.084   1.132   2.774
   45   1HG1  ILE   6          1HG1      ILE   6  -6.546   2.559   0.840
   46   2HG1  ILE   6          2HG1      ILE   6  -6.278   3.516   2.271
   47   1HG2  ILE   6          1HG2      ILE   6  -3.340   2.466   3.130
   48   2HG2  ILE   6          2HG2      ILE   6  -4.803   2.866   4.067
   49   3HG2  ILE   6          3HG2      ILE   6  -4.104   1.244   4.177
   50   1HD1  ILE   6          1HD1      ILE   6  -4.249   3.164  -0.045
   51   2HD1  ILE   6          2HD1      ILE   6  -5.227   4.602   0.314
   52   3HD1  ILE   6          3HD1      ILE   6  -3.935   4.121   1.431
   53    H    THR   7           H        THR   7  -5.233  -1.956   1.851
   54    HA   THR   7           HA       THR   7  -2.851  -2.705   3.479
   55    HB   THR   7           HB       THR   7  -5.195  -4.396   2.491
   56    HG1  THR   7           HG1      THR   7  -5.462  -2.671   4.047
   57   1HG2  THR   7          1HG2      THR   7  -4.536  -6.047   4.272
   58   2HG2  THR   7          2HG2      THR   7  -3.343  -5.981   2.957
   59   3HG2  THR   7          3HG2      THR   7  -2.996  -5.184   4.515
   60   2HN   AIB   8          HN        AIB   8  -3.875  -3.490   0.137
   61   1HB1  AIB   8          1HB1      AIB   8  -3.348  -3.268  -2.338
   62   2HB1  AIB   8          2HB1      AIB   8  -2.291  -4.524  -2.995
   63   3HB1  AIB   8          3HB1      AIB   8  -3.691  -4.978  -2.002
   64   1HB2  AIB   8          1HB2      AIB   8  -2.126  -6.351  -0.470
   65   2HB2  AIB   8          2HB2      AIB   8  -0.745  -5.880  -1.484
   66   3HB2  AIB   8          3HB2      AIB   8  -0.692  -5.596   0.258
   67    H    LEU   9           H        LEU   9  -2.209  -1.646  -0.635
   68    HA   LEU   9           HA       LEU   9   0.426  -0.807  -1.856
   69   1HB   LEU   9          1HB       LEU   9  -2.062   0.705  -0.935
   70   2HB   LEU   9          2HB       LEU   9  -0.614   1.539  -1.416
   71    HG   LEU   9           HG       LEU   9  -1.828  -0.522  -3.334
   72   1HD1  LEU   9          1HD1      LEU   9  -2.763   2.403  -3.153
   73   2HD1  LEU   9          2HD1      LEU   9  -3.161   1.246  -4.450
   74   3HD1  LEU   9          3HD1      LEU   9  -3.738   0.952  -2.803
   75   1HD2  LEU   9          1HD2      LEU   9   0.474   0.402  -3.850
   76   2HD2  LEU   9          2HD2      LEU   9  -0.718   0.862  -5.083
   77   3HD2  LEU   9          3HD2      LEU   9  -0.196   2.048  -3.857
   78   2HN   AIB  10          HN        AIB  10  -0.576  -1.496   1.377
   79   1HB1  AIB  10          1HB1      AIB  10   0.079  -2.508   3.567
   80   2HB1  AIB  10          2HB1      AIB  10   0.870  -1.466   4.756
   81   3HB1  AIB  10          3HB1      AIB  10  -0.698  -1.011   4.071
   82   1HB2  AIB  10          1HB2      AIB  10  -0.067   1.195   3.230
   83   2HB2  AIB  10          2HB2      AIB  10   1.460   0.971   4.114
   84   3HB2  AIB  10          3HB2      AIB  10   1.483   1.485   2.424
   85    HA   HYP  11           HA       HYP  11   4.914  -2.618   2.356
   86   1HB   HYP  11          1HB       HYP  11   4.798  -4.784   0.636
   87   2HB   HYP  11          2HB       HYP  11   4.402  -4.849   2.357
   88   1HD   HYP  11          1HD       HYP  11   0.972  -3.330   1.334
   89   2HD   HYP  11          2HD       HYP  11   1.609  -3.978   2.882
   90    HOD  HYP  11           HD1      HYP  11   1.441  -5.894   1.955
   91    HG   HYP  11           HG       HYP  11   2.461  -4.555   0.004
   92    H    GLN  12           H        GLN  12   3.009  -1.178  -0.134
   93    HA   GLN  12           HA       GLN  12   5.459  -0.777  -1.857
   94   1HB   GLN  12          1HB       GLN  12   2.569   0.044  -2.547
   95   2HB   GLN  12          2HB       GLN  12   3.982   0.169  -3.573
   96   1HG   GLN  12          1HG       GLN  12   4.176  -2.415  -3.467
   97   2HG   GLN  12          2HG       GLN  12   2.625  -2.403  -2.618
   98   1HE2  GLN  12          1HE2      GLN  12   0.911  -2.287  -5.794
   99   2HE2  GLN  12          2HE2      GLN  12   0.948  -2.805  -4.029
  100   2HN   AIB  13          HN        AIB  13   4.450   0.576   0.806
  101   1HB1  AIB  13          1HB1      AIB  13   4.427   1.947   2.742
  102   2HB1  AIB  13          2HB1      AIB  13   5.434   3.405   2.873
  103   3HB1  AIB  13          3HB1      AIB  13   3.877   3.423   2.020
  104   1HB2  AIB  13          1HB2      AIB  13   4.402   4.072  -0.195
  105   2HB2  AIB  13          2HB2      AIB  13   5.887   4.653   0.612
  106   3HB2  AIB  13          3HB2      AIB  13   5.998   3.749  -0.897
  107    HA   HYP  14           HA       HYP  14   9.448   1.316   2.260
  108   1HB   HYP  14          1HB       HYP  14   9.426  -1.455   2.908
  109   2HB   HYP  14          2HB       HYP  14   9.258  -0.083   4.010
  110   1HD   HYP  14          1HD       HYP  14   5.842  -0.473   1.894
  111   2HD   HYP  14          2HD       HYP  14   5.890   0.638   3.247
  112    HOD  HYP  14           HD1      HYP  14   7.238   0.015   5.018
  113    HG   HYP  14           HG       HYP  14   7.174  -1.973   2.995
  114   2HN   AIB  15          HN        AIB  15   7.820  -0.920  -0.091
  115   1HB1  AIB  15          1HB1      AIB  15   7.455  -1.825  -2.390
  116   2HB1  AIB  15          2HB1      AIB  15   8.730  -2.838  -3.076
  117   3HB1  AIB  15          3HB1      AIB  15   7.999  -3.241  -1.503
  118   1HB2  AIB  15          1HB2      AIB  15  10.142  -3.318  -0.239
  119   2HB2  AIB  15          2HB2      AIB  15  10.925  -3.157  -1.840
  120   3HB2  AIB  15          3HB2      AIB  15  11.401  -2.096  -0.510
  121    HA   PRO  16           HA       PRO  16  10.754   1.457  -4.204
  122   1HB   PRO  16          1HB       PRO  16   9.153   3.735  -4.060
  123   2HB   PRO  16          2HB       PRO  16   8.826   2.348  -5.110
  124   1HG   PRO  16          1HG       PRO  16   7.524   3.079  -2.490
  125   2HG   PRO  16          2HG       PRO  16   6.805   2.280  -3.901
  126   1HD   PRO  16          1HD       PRO  16   7.743   1.029  -1.504
  127   2HD   PRO  16          2HD       PRO  16   7.314   0.151  -2.955
  128    H1   PHL  17           H1       PHL  17  12.571   2.034   0.649
  129    H2   PHL  17           H2       PHL  17  11.204   2.578   1.633
  130    HO   PHL  17           HO       PHL  17  13.550   4.079   1.075
  131    HA   PHL  17           HA       PHL  17  12.300   4.153  -0.760
  132   2HN   PHL  17          2HN       PHL  17   9.880   2.224  -0.899
  133   1HB   PHL  17          1HB       PHL  17   9.612   4.354   0.697
  134   2HB   PHL  17          2HB       PHL  17  10.957   5.471   0.882
  135    HD1  PHL  17           HD1      PHL  17  11.882   6.468  -1.533
  136    HD2  PHL  17           HD2      PHL  17   7.893   5.046  -0.820
  137    HE1  PHL  17           HE1      PHL  17  11.067   7.789  -3.439
  138    HE2  PHL  17           HE2      PHL  17   7.082   6.379  -2.722
  139    HZ   PHL  17           HZ       PHL  17   8.664   7.760  -4.033
  Start of MODEL   18
    1   1H    ACE   1          H1        ACE   1 -13.698  -2.709  -0.812
    2   2H    ACE   1          H2        ACE   1 -12.376  -3.700  -1.478
    3   3H    ACE   1          H3        ACE   1 -12.548  -3.540   0.280
    4    H    TRP   2           H        TRP   2 -13.048  -0.813   0.459
    5    HA   TRP   2           HA       TRP   2 -10.816   0.782  -0.726
    6   1HB   TRP   2          1HB       TRP   2 -12.604   1.496   1.668
    7   2HB   TRP   2          2HB       TRP   2 -11.419   2.565   0.965
    8    HD1  TRP   2           HD1      TRP   2 -11.822   3.052  -1.915
    9    HE1  TRP   2           HE1      TRP   2 -14.053   3.886  -3.058
   10    HE3  TRP   2           HE3      TRP   2 -14.984   1.396   1.731
   11    HZ2  TRP   2           HZ2      TRP   2 -16.802   3.806  -2.262
   12    HZ3  TRP   2           HZ3      TRP   2 -17.401   1.853   1.517
   13    HH2  TRP   2           HH2      TRP   2 -18.297   3.045  -0.443
   14    H    ILE   3           H        ILE   3 -11.312  -0.745   2.476
   15    HA   ILE   3           HA       ILE   3  -8.558  -0.156   3.365
   16    HB   ILE   3           HB       ILE   3 -10.317  -0.572   5.060
   17   1HG1  ILE   3          1HG1      ILE   3  -9.140  -2.132   6.624
   18   2HG1  ILE   3          2HG1      ILE   3  -8.095  -2.678   5.329
   19   1HG2  ILE   3          1HG2      ILE   3 -10.390  -3.540   4.224
   20   2HG2  ILE   3          2HG2      ILE   3 -11.233  -2.803   5.606
   21   3HG2  ILE   3          3HG2      ILE   3 -11.682  -2.350   3.952
   22   1HD1  ILE   3          1HD1      ILE   3  -8.232   0.229   6.392
   23   2HD1  ILE   3          2HD1      ILE   3  -6.979  -0.975   6.792
   24   3HD1  ILE   3          3HD1      ILE   3  -7.106  -0.353   5.132
   25    H    GLN   4           H        GLN   4  -9.900  -2.853   1.545
   26    HA   GLN   4           HA       GLN   4  -7.454  -4.456   1.595
   27   1HB   GLN   4          1HB       GLN   4  -9.998  -4.957   0.735
   28   2HB   GLN   4          2HB       GLN   4  -9.345  -4.557  -0.821
   29   1HG   GLN   4          1HG       GLN   4  -7.955  -6.485  -0.902
   30   2HG   GLN   4          2HG       GLN   4  -7.697  -6.540   0.826
   31   1HE2  GLN   4          1HE2      GLN   4 -10.569  -8.970  -0.517
   32   2HE2  GLN   4          2HE2      GLN   4  -9.358  -8.117  -1.602
   33   2HN   DIV   5          HN        DIV   5  -8.457  -1.823  -0.539
   34   1HB1  DIV   5          1HB1      DIV   5  -5.522  -1.555  -3.469
   35   2HB1  DIV   5          2HB1      DIV   5  -5.691  -3.038  -2.635
   36   1HG1  DIV   5          1HG1      DIV   5  -7.776  -1.837  -4.558
   37   2HG1  DIV   5          2HG1      DIV   5  -6.769  -3.273  -4.806
   38   3HG1  DIV   5          3HG1      DIV   5  -8.061  -3.303  -3.573
   39   1HB2  DIV   5          1HB2      DIV   5  -8.117   0.430  -1.446
   40   2HB2  DIV   5          2HB2      DIV   5  -7.226   0.501  -2.971
   41   3HB2  DIV   5          3HB2      DIV   5  -8.608  -0.594  -2.790
   42    H    ILE   6           H        ILE   6  -6.809   0.209   0.326
   43    HA   ILE   6           HA       ILE   6  -4.072   1.311   0.283
   44    HB   ILE   6           HB       ILE   6  -6.192   1.296   2.490
   45   1HG1  ILE   6          1HG1      ILE   6  -5.392   3.777   0.842
   46   2HG1  ILE   6          2HG1      ILE   6  -6.544   2.659   0.170
   47   1HG2  ILE   6          1HG2      ILE   6  -3.596   2.965   2.426
   48   2HG2  ILE   6          2HG2      ILE   6  -4.947   3.240   3.550
   49   3HG2  ILE   6          3HG2      ILE   6  -4.042   1.729   3.633
   50   1HD1  ILE   6          1HD1      ILE   6  -6.955   4.071   2.882
   51   2HD1  ILE   6          2HD1      ILE   6  -7.733   4.489   1.341
   52   3HD1  ILE   6          3HD1      ILE   6  -8.089   2.931   2.122
   53    H    THR   7           H        THR   7  -5.295  -1.695   1.593
   54    HA   THR   7           HA       THR   7  -2.846  -2.286   3.198
   55    HB   THR   7           HB       THR   7  -5.169  -4.107   2.430
   56    HG1  THR   7           HG1      THR   7  -5.503  -2.368   3.903
   57   1HG2  THR   7          1HG2      THR   7  -4.343  -5.625   4.268
   58   2HG2  THR   7          2HG2      THR   7  -3.241  -5.601   2.874
   59   3HG2  THR   7          3HG2      THR   7  -2.821  -4.701   4.354
   60   2HN   AIB   8          HN        AIB   8  -3.952  -3.242  -0.072
   61   1HB1  AIB   8          1HB1      AIB   8  -3.377  -2.937  -2.564
   62   2HB1  AIB   8          2HB1      AIB   8  -2.329  -4.200  -3.228
   63   3HB1  AIB   8          3HB1      AIB   8  -3.748  -4.648  -2.257
   64   1HB2  AIB   8          1HB2      AIB   8  -2.253  -6.067  -0.724
   65   2HB2  AIB   8          2HB2      AIB   8  -0.844  -5.619  -1.713
   66   3HB2  AIB   8          3HB2      AIB   8  -0.808  -5.360   0.033
   67    H    LEU   9           H        LEU   9  -2.206  -1.346  -0.939
   68    HA   LEU   9           HA       LEU   9   0.504  -0.616  -2.050
   69   1HB   LEU   9          1HB       LEU   9  -1.971   0.973  -1.234
   70   2HB   LEU   9          2HB       LEU   9  -0.482   1.763  -1.657
   71    HG   LEU   9           HG       LEU   9  -1.647  -0.284  -3.620
   72   1HD1  LEU   9          1HD1      LEU   9  -2.595   2.632  -3.452
   73   2HD1  LEU   9          2HD1      LEU   9  -2.924   1.501  -4.789
   74   3HD1  LEU   9          3HD1      LEU   9  -3.574   1.169  -3.177
   75   1HD2  LEU   9          1HD2      LEU   9   0.678   0.611  -4.049
   76   2HD2  LEU   9          2HD2      LEU   9  -0.459   1.086  -5.326
   77   3HD2  LEU   9          3HD2      LEU   9   0.027   2.268  -4.079
   78   2HN   AIB  10          HN        AIB  10  -0.590  -1.267   1.143
   79   1HB1  AIB  10          1HB1      AIB  10  -0.074  -2.223   3.393
   80   2HB1  AIB  10          2HB1      AIB  10   0.662  -1.147   4.589
   81   3HB1  AIB  10          3HB1      AIB  10  -0.850  -0.693   3.788
   82   1HB2  AIB  10          1HB2      AIB  10  -0.089   1.479   2.946
   83   2HB2  AIB  10          2HB2      AIB  10   1.380   1.224   3.917
   84   3HB2  AIB  10          3HB2      AIB  10   1.509   1.693   2.219
   85    HA   HYP  11           HA       HYP  11   4.784  -2.557   2.393
   86   1HB   HYP  11          1HB       HYP  11   4.651  -4.725   0.677
   87   2HB   HYP  11          2HB       HYP  11   4.160  -4.775   2.373
   88   1HD   HYP  11          1HD       HYP  11   0.872  -3.095   1.189
   89   2HD   HYP  11          2HD       HYP  11   1.409  -3.775   2.766
   90    HOD  HYP  11           HD1      HYP  11   1.359  -5.651   2.068
   91    HG   HYP  11           HG       HYP  11   2.371  -4.366  -0.078
   92    H    GLN  12           H        GLN  12   3.045  -1.077  -0.195
   93    HA   GLN  12           HA       GLN  12   5.573  -0.804  -1.830
   94   1HB   GLN  12          1HB       GLN  12   2.739   0.116  -2.641
   95   2HB   GLN  12          2HB       GLN  12   4.194   0.177  -3.613
   96   1HG   GLN  12          1HG       GLN  12   4.292  -2.407  -3.480
   97   2HG   GLN  12          2HG       GLN  12   2.724  -2.338  -2.671
   98   1HE2  GLN  12          1HE2      GLN  12   1.084  -2.233  -5.875
   99   2HE2  GLN  12          2HE2      GLN  12   1.085  -2.733  -4.102
  100   2HN   AIB  13          HN        AIB  13   4.472   0.644   0.757
  101   1HB1  AIB  13          1HB1      AIB  13   4.425   2.028   2.663
  102   2HB1  AIB  13          2HB1      AIB  13   5.512   3.420   2.848
  103   3HB1  AIB  13          3HB1      AIB  13   4.001   3.538   1.924
  104   1HB2  AIB  13          1HB2      AIB  13   4.634   4.125  -0.277
  105   2HB2  AIB  13          2HB2      AIB  13   6.114   4.642   0.580
  106   3HB2  AIB  13          3HB2      AIB  13   6.238   3.717  -0.916
  107    HA   HYP  14           HA       HYP  14   9.445   1.192   2.429
  108   1HB   HYP  14          1HB       HYP  14   9.280  -1.583   3.072
  109   2HB   HYP  14          2HB       HYP  14   9.141  -0.199   4.165
  110   1HD   HYP  14          1HD       HYP  14   5.788  -0.446   1.923
  111   2HD   HYP  14          2HD       HYP  14   5.834   0.679   3.267
  112    HOD  HYP  14           HD1      HYP  14   7.102   0.004   5.097
  113    HG   HYP  14           HG       HYP  14   7.004  -1.993   3.085
  114   2HN   AIB  15          HN        AIB  15   7.844  -0.984   0.003
  115   1HB1  AIB  15          1HB1      AIB  15   7.560  -1.917  -2.306
  116   2HB1  AIB  15          2HB1      AIB  15   8.826  -2.991  -2.905
  117   3HB1  AIB  15          3HB1      AIB  15   7.998  -3.333  -1.365
  118   1HB2  AIB  15          1HB2      AIB  15  10.070  -3.475   0.003
  119   2HB2  AIB  15          2HB2      AIB  15  10.950  -3.361  -1.555
  120   3HB2  AIB  15          3HB2      AIB  15  11.387  -2.304  -0.208
  121    HA   PRO  16           HA       PRO  16  11.072   1.213  -3.999
  122   1HB   PRO  16          1HB       PRO  16   9.543   3.548  -3.966
  123   2HB   PRO  16          2HB       PRO  16   9.229   2.163  -5.016
  124   1HG   PRO  16          1HG       PRO  16   7.799   2.968  -2.490
  125   2HG   PRO  16          2HG       PRO  16   7.142   2.159  -3.924
  126   1HD   PRO  16          1HD       PRO  16   7.921   0.942  -1.449
  127   2HD   PRO  16          2HD       PRO  16   7.516   0.048  -2.898
  128    H1   PHL  17           H1       PHL  17  11.233   2.424   1.839
  129    H2   PHL  17           H2       PHL  17  12.617   3.517   1.875
  130    HO   PHL  17           HO       PHL  17  13.584   1.665   1.673
  131    HA   PHL  17           HA       PHL  17  12.500   3.937  -0.510
  132   2HN   PHL  17          2HN       PHL  17  10.043   2.058  -0.758
  133   1HB   PHL  17          1HB       PHL  17   9.741   4.232   0.773
  134   2HB   PHL  17          2HB       PHL  17  11.099   5.319   1.025
  135    HD1  PHL  17           HD1      PHL  17  12.208   6.206  -1.380
  136    HD2  PHL  17           HD2      PHL  17   8.126   4.985  -0.831
  137    HE1  PHL  17           HE1      PHL  17  11.552   7.481  -3.370
  138    HE2  PHL  17           HE2      PHL  17   7.473   6.275  -2.820
  139    HZ   PHL  17           HZ       PHL  17   9.184   7.531  -4.098
  Start of MODEL   19
    1   1H    ACE   1          H1        ACE   1 -13.323  -2.858  -1.785
    2   2H    ACE   1          H2        ACE   1 -11.873  -3.748  -2.311
    3   3H    ACE   1          H3        ACE   1 -12.305  -3.714  -0.586
    4    H    TRP   2           H        TRP   2 -12.847  -1.168  -0.104
    5    HA   TRP   2           HA       TRP   2 -10.680   0.699  -1.014
    6   1HB   TRP   2          1HB       TRP   2 -11.662   2.253   0.905
    7   2HB   TRP   2          2HB       TRP   2 -12.356   2.066  -0.655
    8    HD1  TRP   2           HD1      TRP   2 -13.060   0.652   2.970
    9    HE1  TRP   2           HE1      TRP   2 -15.605   0.047   3.228
   10    HE3  TRP   2           HE3      TRP   2 -14.422   1.843  -1.806
   11    HZ2  TRP   2           HZ2      TRP   2 -17.836   0.165   1.448
   12    HZ3  TRP   2           HZ3      TRP   2 -16.776   1.555  -2.479
   13    HH2  TRP   2           HH2      TRP   2 -18.460   0.726  -0.884
   14    H    ILE   3           H        ILE   3 -11.494  -0.634   2.161
   15    HA   ILE   3           HA       ILE   3  -8.836  -0.079   3.305
   16    HB   ILE   3           HB       ILE   3 -10.810  -2.236   4.233
   17   1HG1  ILE   3          1HG1      ILE   3 -10.588   0.333   5.872
   18   2HG1  ILE   3          2HG1      ILE   3 -11.389   0.513   4.348
   19   1HG2  ILE   3          1HG2      ILE   3  -8.481  -1.006   5.833
   20   2HG2  ILE   3          2HG2      ILE   3  -9.728  -2.079   6.512
   21   3HG2  ILE   3          3HG2      ILE   3  -8.620  -2.695   5.281
   22   1HD1  ILE   3          1HD1      ILE   3 -12.222  -1.553   6.489
   23   2HD1  ILE   3          2HD1      ILE   3 -13.048  -0.020   6.117
   24   3HD1  ILE   3          3HD1      ILE   3 -13.025  -1.329   4.913
   25    H    GLN   4           H        GLN   4  -9.955  -2.952   1.572
   26    HA   GLN   4           HA       GLN   4  -7.423  -4.456   1.703
   27   1HB   GLN   4          1HB       GLN   4  -9.698  -4.487  -0.369
   28   2HB   GLN   4          2HB       GLN   4  -8.278  -5.515  -0.493
   29   1HG   GLN   4          1HG       GLN   4  -8.736  -6.570   1.726
   30   2HG   GLN   4          2HG       GLN   4 -10.151  -5.558   1.954
   31   1HE2  GLN   4          1HE2      GLN   4 -10.743  -8.978  -0.034
   32   2HE2  GLN   4          2HE2      GLN   4  -9.185  -8.560   0.842
   33   2HN   DIV   5          HN        DIV   5  -8.463  -1.860  -0.537
   34   1HB1  DIV   5          1HB1      DIV   5  -5.349  -1.583  -3.269
   35   2HB1  DIV   5          2HB1      DIV   5  -5.565  -3.054  -2.407
   36   1HG1  DIV   5          1HG1      DIV   5  -7.549  -1.866  -4.443
   37   2HG1  DIV   5          2HG1      DIV   5  -6.539  -3.311  -4.615
   38   3HG1  DIV   5          3HG1      DIV   5  -7.892  -3.313  -3.456
   39   1HB2  DIV   5          1HB2      DIV   5  -7.918   0.527  -1.429
   40   2HB2  DIV   5          2HB2      DIV   5  -6.878   0.520  -2.863
   41   3HB2  DIV   5          3HB2      DIV   5  -8.335  -0.488  -2.808
   42    H    ILE   6           H        ILE   6  -6.742   0.114   0.573
   43    HA   ILE   6           HA       ILE   6  -4.008   1.229   0.661
   44    HB   ILE   6           HB       ILE   6  -6.132   1.050   2.861
   45   1HG1  ILE   6          1HG1      ILE   6  -6.987   2.432   1.044
   46   2HG1  ILE   6          2HG1      ILE   6  -6.652   3.411   2.444
   47   1HG2  ILE   6          1HG2      ILE   6  -3.551   2.723   2.949
   48   2HG2  ILE   6          2HG2      ILE   6  -4.940   2.933   4.046
   49   3HG2  ILE   6          3HG2      ILE   6  -4.038   1.413   4.053
   50   1HD1  ILE   6          1HD1      ILE   6  -4.862   3.282  -0.080
   51   2HD1  ILE   6          2HD1      ILE   6  -5.977   4.593   0.364
   52   3HD1  ILE   6          3HD1      ILE   6  -4.533   4.293   1.352
   53    H    THR   7           H        THR   7  -5.256  -1.847   1.802
   54    HA   THR   7           HA       THR   7  -2.879  -2.493   3.465
   55    HB   THR   7           HB       THR   7  -5.116  -4.323   2.463
   56    HG1  THR   7           HG1      THR   7  -5.109  -2.418   4.191
   57   1HG2  THR   7          1HG2      THR   7  -4.449  -5.834   4.373
   58   2HG2  THR   7          2HG2      THR   7  -3.189  -5.767   3.122
   59   3HG2  THR   7          3HG2      THR   7  -2.984  -4.856   4.642
   60   2HN   AIB   8          HN        AIB   8  -3.837  -3.329   0.120
   61   1HB1  AIB   8          1HB1      AIB   8  -3.266  -3.031  -2.339
   62   2HB1  AIB   8          2HB1      AIB   8  -2.172  -4.252  -3.004
   63   3HB1  AIB   8          3HB1      AIB   8  -3.587  -4.754  -2.055
   64   1HB2  AIB   8          1HB2      AIB   8  -2.027  -6.145  -0.534
   65   2HB2  AIB   8          2HB2      AIB   8  -0.638  -5.614  -1.508
   66   3HB2  AIB   8          3HB2      AIB   8  -0.621  -5.385   0.244
   67    H    LEU   9           H        LEU   9  -2.201  -1.435  -0.601
   68    HA   LEU   9           HA       LEU   9   0.399  -0.500  -1.766
   69   1HB   LEU   9          1HB       LEU   9  -2.051   0.924  -0.624
   70   2HB   LEU   9          2HB       LEU   9  -0.623   1.802  -1.102
   71    HG   LEU   9           HG       LEU   9  -2.040  -0.068  -3.089
   72   1HD1  LEU   9          1HD1      LEU   9  -2.641   2.926  -2.693
   73   2HD1  LEU   9          2HD1      LEU   9  -3.235   1.900  -4.025
   74   3HD1  LEU   9          3HD1      LEU   9  -3.752   1.572  -2.362
   75   1HD2  LEU   9          1HD2      LEU   9   0.313   0.644  -3.697
   76   2HD2  LEU   9          2HD2      LEU   9  -0.882   1.321  -4.817
   77   3HD2  LEU   9          3HD2      LEU   9  -0.164   2.347  -3.545
   78   2HN   AIB  10          HN        AIB  10  -0.530  -1.365   1.462
   79   1HB1  AIB  10          1HB1      AIB  10   0.162  -2.491   3.617
   80   2HB1  AIB  10          2HB1      AIB  10   0.927  -1.465   4.833
   81   3HB1  AIB  10          3HB1      AIB  10  -0.629  -1.003   4.122
   82   1HB2  AIB  10          1HB2      AIB  10   0.089   1.238   3.398
   83   2HB2  AIB  10          2HB2      AIB  10   1.621   0.943   4.252
   84   3HB2  AIB  10          3HB2      AIB  10   1.634   1.510   2.581
   85    HA   HYP  11           HA       HYP  11   4.950  -2.680   2.275
   86   1HB   HYP  11          1HB       HYP  11   4.713  -4.750   0.433
   87   2HB   HYP  11          2HB       HYP  11   4.422  -4.898   2.168
   88   1HD   HYP  11          1HD       HYP  11   0.964  -3.268   1.398
   89   2HD   HYP  11          2HD       HYP  11   1.678  -3.972   2.889
   90    HOD  HYP  11           HD1      HYP  11   1.261  -5.920   1.496
   91    HG   HYP  11           HG       HYP  11   2.356  -4.476  -0.049
   92    H    GLN  12           H        GLN  12   3.044  -1.058  -0.097
   93    HA   GLN  12           HA       GLN  12   5.478  -0.659  -1.847
   94   1HB   GLN  12          1HB       GLN  12   2.596   0.268  -2.450
   95   2HB   GLN  12          2HB       GLN  12   3.996   0.404  -3.491
   96   1HG   GLN  12          1HG       GLN  12   4.138  -2.172  -3.529
   97   2HG   GLN  12          2HG       GLN  12   2.623  -2.188  -2.622
   98   1HE2  GLN  12          1HE2      GLN  12   0.791  -1.920  -5.715
   99   2HE2  GLN  12          2HE2      GLN  12   0.885  -2.499  -3.967
  100   2HN   AIB  13          HN        AIB  13   4.574   0.591   0.884
  101   1HB1  AIB  13          1HB1      AIB  13   4.632   1.858   2.879
  102   2HB1  AIB  13          2HB1      AIB  13   5.713   3.255   3.074
  103   3HB1  AIB  13          3HB1      AIB  13   4.139   3.403   2.266
  104   1HB2  AIB  13          1HB2      AIB  13   4.616   4.138   0.068
  105   2HB2  AIB  13          2HB2      AIB  13   6.144   4.623   0.856
  106   3HB2  AIB  13          3HB2      AIB  13   6.180   3.796  -0.699
  107    HA   HYP  14           HA       HYP  14   9.614   1.052   2.235
  108   1HB   HYP  14          1HB       HYP  14   9.486  -1.750   2.720
  109   2HB   HYP  14          2HB       HYP  14   9.415  -0.440   3.907
  110   1HD   HYP  14          1HD       HYP  14   5.909  -0.535   1.903
  111   2HD   HYP  14          2HD       HYP  14   6.084   0.497   3.306
  112    HOD  HYP  14           HD1      HYP  14   7.451  -0.322   4.987
  113    HG   HYP  14           HG       HYP  14   7.214  -2.165   2.844
  114   2HN   AIB  15          HN        AIB  15   7.845  -0.973  -0.205
  115   1HB1  AIB  15          1HB1      AIB  15   7.392  -1.771  -2.529
  116   2HB1  AIB  15          2HB1      AIB  15   8.616  -2.794  -3.290
  117   3HB1  AIB  15          3HB1      AIB  15   7.911  -3.243  -1.721
  118   1HB2  AIB  15          1HB2      AIB  15  10.089  -3.448  -0.521
  119   2HB2  AIB  15          2HB2      AIB  15  10.826  -3.243  -2.134
  120   3HB2  AIB  15          3HB2      AIB  15  11.376  -2.252  -0.776
  121    HA   PRO  16           HA       PRO  16  10.749   1.510  -4.252
  122   1HB   PRO  16          1HB       PRO  16   9.250   3.839  -3.921
  123   2HB   PRO  16          2HB       PRO  16   8.834   2.535  -5.040
  124   1HG   PRO  16          1HG       PRO  16   7.657   3.143  -2.331
  125   2HG   PRO  16          2HG       PRO  16   6.852   2.483  -3.766
  126   1HD   PRO  16          1HD       PRO  16   7.792   1.018  -1.496
  127   2HD   PRO  16          2HD       PRO  16   7.310   0.259  -2.996
  128    H1   PHL  17           H1       PHL  17  12.749   1.805   0.586
  129    H2   PHL  17           H2       PHL  17  11.401   2.319   1.617
  130    HO   PHL  17           HO       PHL  17  13.770   3.799   1.090
  131    HA   PHL  17           HA       PHL  17  12.488   3.970  -0.730
  132   2HN   PHL  17          2HN       PHL  17  10.013   2.120  -0.882
  133   1HB   PHL  17          1HB       PHL  17   9.849   4.187   0.812
  134   2HB   PHL  17          2HB       PHL  17  11.225   5.268   0.984
  135    HD1  PHL  17           HD1      PHL  17  12.081   6.242  -1.524
  136    HD2  PHL  17           HD2      PHL  17   8.077   5.084  -0.488
  137    HE1  PHL  17           HE1      PHL  17  11.193   7.670  -3.325
  138    HE2  PHL  17           HE2      PHL  17   7.200   6.508  -2.291
  139    HZ   PHL  17           HZ       PHL  17   8.754   7.820  -3.700
  Start of MODEL   20
    1   1H    ACE   1          H1        ACE   1 -13.601  -2.931  -1.065
    2   2H    ACE   1          H2        ACE   1 -12.241  -3.855  -1.751
    3   3H    ACE   1          H3        ACE   1 -12.410  -3.721   0.016
    4    H    TRP   2           H        TRP   2 -12.962  -1.099   0.337
    5    HA   TRP   2           HA       TRP   2 -10.840   0.589  -0.952
    6   1HB   TRP   2          1HB       TRP   2 -13.306   1.325  -0.147
    7   2HB   TRP   2          2HB       TRP   2 -12.544   1.566   1.399
    8    HD1  TRP   2           HD1      TRP   2 -12.705   2.895  -2.234
    9    HE1  TRP   2           HE1      TRP   2 -11.683   5.316  -2.463
   10    HE3  TRP   2           HE3      TRP   2 -10.657   3.096   2.442
   11    HZ2  TRP   2           HZ2      TRP   2 -10.154   6.967  -0.696
   12    HZ3  TRP   2           HZ3      TRP   2  -9.435   5.137   3.120
   13    HH2  TRP   2           HH2      TRP   2  -9.192   7.039   1.579
   14    H    ILE   3           H        ILE   3 -11.385  -0.826   2.267
   15    HA   ILE   3           HA       ILE   3  -8.688  -0.124   3.289
   16    HB   ILE   3           HB       ILE   3 -10.548  -0.634   4.886
   17   1HG1  ILE   3          1HG1      ILE   3  -9.148  -2.531   6.283
   18   2HG1  ILE   3          2HG1      ILE   3  -7.914  -2.159   5.117
   19   1HG2  ILE   3          1HG2      ILE   3 -10.403  -3.599   4.074
   20   2HG2  ILE   3          2HG2      ILE   3 -11.352  -2.885   5.398
   21   3HG2  ILE   3          3HG2      ILE   3 -11.735  -2.476   3.718
   22   1HD1  ILE   3          1HD1      ILE   3  -9.287  -0.156   7.028
   23   2HD1  ILE   3          2HD1      ILE   3  -7.628  -0.785   7.140
   24   3HD1  ILE   3          3HD1      ILE   3  -8.068   0.317   5.810
   25    H    GLN   4           H        GLN   4  -9.973  -2.956   1.535
   26    HA   GLN   4           HA       GLN   4  -7.479  -4.459   1.377
   27   1HB   GLN   4          1HB       GLN   4  -9.824  -4.213  -0.601
   28   2HB   GLN   4          2HB       GLN   4  -8.468  -5.247  -0.940
   29   1HG   GLN   4          1HG       GLN   4 -10.042  -5.611   1.679
   30   2HG   GLN   4          2HG       GLN   4 -10.637  -6.236   0.159
   31   1HE2  GLN   4          1HE2      GLN   4  -8.416  -9.061   0.229
   32   2HE2  GLN   4          2HE2      GLN   4  -9.856  -8.205  -0.515
   33   2HN   DIV   5          HN        DIV   5  -8.541  -1.679  -0.656
   34   1HB1  DIV   5          1HB1      DIV   5  -5.587  -1.356  -3.548
   35   2HB1  DIV   5          2HB1      DIV   5  -5.707  -2.838  -2.704
   36   1HG1  DIV   5          1HG1      DIV   5  -7.840  -1.710  -4.618
   37   2HG1  DIV   5          2HG1      DIV   5  -6.781  -3.112  -4.865
   38   3HG1  DIV   5          3HG1      DIV   5  -8.069  -3.182  -3.628
   39   1HB2  DIV   5          1HB2      DIV   5  -8.204   0.573  -1.513
   40   2HB2  DIV   5          2HB2      DIV   5  -7.300   0.669  -3.030
   41   3HB2  DIV   5          3HB2      DIV   5  -8.663  -0.455  -2.865
   42    H    ILE   6           H        ILE   6  -6.873   0.319   0.294
   43    HA   ILE   6           HA       ILE   6  -4.122   1.422   0.280
   44    HB   ILE   6           HB       ILE   6  -6.226   1.377   2.505
   45   1HG1  ILE   6          1HG1      ILE   6  -7.040   2.703   0.611
   46   2HG1  ILE   6          2HG1      ILE   6  -6.702   3.722   1.980
   47   1HG2  ILE   6          1HG2      ILE   6  -3.584   2.952   2.487
   48   2HG2  ILE   6          2HG2      ILE   6  -4.939   3.262   3.604
   49   3HG2  ILE   6          3HG2      ILE   6  -4.098   1.708   3.648
   50   1HD1  ILE   6          1HD1      ILE   6  -4.912   3.468  -0.536
   51   2HD1  ILE   6          2HD1      ILE   6  -5.970   4.831  -0.112
   52   3HD1  ILE   6          3HD1      ILE   6  -4.528   4.494   0.868
   53    H    THR   7           H        THR   7  -5.343  -1.621   1.467
   54    HA   THR   7           HA       THR   7  -2.900  -2.208   3.100
   55    HB   THR   7           HB       THR   7  -5.229  -4.028   2.321
   56    HG1  THR   7           HG1      THR   7  -5.599  -2.285   3.759
   57   1HG2  THR   7          1HG2      THR   7  -4.423  -5.526   4.189
   58   2HG2  THR   7          2HG2      THR   7  -3.306  -5.516   2.806
   59   3HG2  THR   7          3HG2      THR   7  -2.904  -4.593   4.279
   60   2HN   AIB   8          HN        AIB   8  -3.975  -3.095  -0.200
   61   1HB1  AIB   8          1HB1      AIB   8  -3.397  -2.777  -2.653
   62   2HB1  AIB   8          2HB1      AIB   8  -2.336  -4.021  -3.334
   63   3HB1  AIB   8          3HB1      AIB   8  -3.769  -4.496  -2.396
   64   1HB2  AIB   8          1HB2      AIB   8  -2.303  -5.946  -0.868
   65   2HB2  AIB   8          2HB2      AIB   8  -0.883  -5.487  -1.836
   66   3HB2  AIB   8          3HB2      AIB   8  -0.862  -5.266  -0.084
   67    H    LEU   9           H        LEU   9  -2.261  -1.205  -1.029
   68    HA   LEU   9           HA       LEU   9   0.456  -0.473  -2.038
   69   1HB   LEU   9          1HB       LEU   9  -1.980   1.117  -1.110
   70   2HB   LEU   9          2HB       LEU   9  -0.480   1.903  -1.525
   71    HG   LEU   9           HG       LEU   9  -1.714  -0.039  -3.554
   72   1HD1  LEU   9          1HD1      LEU   9  -2.611   2.882  -3.241
   73   2HD1  LEU   9          2HD1      LEU   9  -3.008   1.786  -4.598
   74   3HD1  LEU   9          3HD1      LEU   9  -3.598   1.422  -2.966
   75   1HD2  LEU   9          1HD2      LEU   9   0.617   0.820  -3.979
   76   2HD2  LEU   9          2HD2      LEU   9  -0.528   1.364  -5.220
   77   3HD2  LEU   9          3HD2      LEU   9   0.011   2.494  -3.947
   78   2HN   AIB  10          HN        AIB  10  -0.611  -1.249   1.138
   79   1HB1  AIB  10          1HB1      AIB  10  -0.080  -2.290   3.350
   80   2HB1  AIB  10          2HB1      AIB  10   0.646  -1.252   4.579
   81   3HB1  AIB  10          3HB1      AIB  10  -0.863  -0.774   3.784
   82   1HB2  AIB  10          1HB2      AIB  10  -0.054   1.445   3.040
   83   2HB2  AIB  10          2HB2      AIB  10   1.423   1.127   3.981
   84   3HB2  AIB  10          3HB2      AIB  10   1.541   1.648   2.302
   85    HA   HYP  11           HA       HYP  11   4.750  -2.609   2.336
   86   1HB   HYP  11          1HB       HYP  11   4.618  -4.725   0.551
   87   2HB   HYP  11          2HB       HYP  11   4.146  -4.827   2.248
   88   1HD   HYP  11          1HD       HYP  11   0.831  -3.123   1.157
   89   2HD   HYP  11          2HD       HYP  11   1.412  -3.835   2.703
   90    HOD  HYP  11           HD1      HYP  11   1.132  -5.710   1.654
   91    HG   HYP  11           HG       HYP  11   2.323  -4.376  -0.168
   92    H    GLN  12           H        GLN  12   3.015  -1.050  -0.211
   93    HA   GLN  12           HA       GLN  12   5.549  -0.739  -1.832
   94   1HB   GLN  12          1HB       GLN  12   2.729   0.263  -2.591
   95   2HB   GLN  12          2HB       GLN  12   4.181   0.358  -3.565
   96   1HG   GLN  12          1HG       GLN  12   4.245  -2.232  -3.556
   97   2HG   GLN  12          2HG       GLN  12   2.681  -2.174  -2.741
   98   1HE2  GLN  12          1HE2      GLN  12   1.069  -1.959  -5.948
   99   2HE2  GLN  12          2HE2      GLN  12   1.065  -2.535  -4.195
  100   2HN   AIB  13          HN        AIB  13   4.544   0.594   0.819
  101   1HB1  AIB  13          1HB1      AIB  13   4.503   1.916   2.795
  102   2HB1  AIB  13          2HB1      AIB  13   5.600   3.296   3.016
  103   3HB1  AIB  13          3HB1      AIB  13   4.070   3.455   2.132
  104   1HB2  AIB  13          1HB2      AIB  13   4.625   4.088  -0.090
  105   2HB2  AIB  13          2HB2      AIB  13   6.046   4.641   0.826
  106   3HB2  AIB  13          3HB2      AIB  13   6.265   3.799  -0.717
  107    HA   HYP  14           HA       HYP  14   9.515   1.046   2.396
  108   1HB   HYP  14          1HB       HYP  14   9.322  -1.746   2.956
  109   2HB   HYP  14          2HB       HYP  14   9.223  -0.399   4.097
  110   1HD   HYP  14          1HD       HYP  14   5.804  -0.513   1.942
  111   2HD   HYP  14          2HD       HYP  14   5.931   0.566   3.312
  112    HOD  HYP  14           HD1      HYP  14   7.236  -0.212   5.080
  113    HG   HYP  14           HG       HYP  14   7.034  -2.124   2.998
  114   2HN   AIB  15          HN        AIB  15   7.834  -1.027  -0.054
  115   1HB1  AIB  15          1HB1      AIB  15   7.478  -1.872  -2.387
  116   2HB1  AIB  15          2HB1      AIB  15   8.711  -2.958  -3.039
  117   3HB1  AIB  15          3HB1      AIB  15   7.913  -3.325  -1.493
  118   1HB2  AIB  15          1HB2      AIB  15  10.050  -3.531  -0.180
  119   2HB2  AIB  15          2HB2      AIB  15  10.862  -3.393  -1.767
  120   3HB2  AIB  15          3HB2      AIB  15  11.361  -2.359  -0.421
  121    HA   PRO  16           HA       PRO  16  11.012   1.301  -3.972
  122   1HB   PRO  16          1HB       PRO  16   9.562   3.662  -3.787
  123   2HB   PRO  16          2HB       PRO  16   9.145   2.329  -4.873
  124   1HG   PRO  16          1HG       PRO  16   7.896   3.055  -2.219
  125   2HG   PRO  16          2HG       PRO  16   7.114   2.399  -3.672
  126   1HD   PRO  16          1HD       PRO  16   7.893   0.926  -1.365
  127   2HD   PRO  16          2HD       PRO  16   7.482   0.173  -2.887
  128    H1   PHL  17           H1       PHL  17  12.824   1.594   0.786
  129    H2   PHL  17           H2       PHL  17  11.591   2.188   1.921
  130    HO   PHL  17           HO       PHL  17  12.980   4.084   2.115
  131    HA   PHL  17           HA       PHL  17  12.579   3.868  -0.454
  132   2HN   PHL  17          2HN       PHL  17  10.095   2.033  -0.665
  133   1HB   PHL  17          1HB       PHL  17  10.025   3.938   1.213
  134   2HB   PHL  17          2HB       PHL  17  11.351   5.086   1.333
  135    HD1  PHL  17           HD1      PHL  17  11.874   5.865  -1.553
  136    HD2  PHL  17           HD2      PHL  17   8.165   5.170   0.497
  137    HE1  PHL  17           HE1      PHL  17  10.698   7.298  -3.174
  138    HE2  PHL  17           HE2      PHL  17   6.997   6.582  -1.145
  139    HZ   PHL  17           HZ       PHL  17   8.264   7.672  -2.965